A0A3Q0KR20_SCHMA Loading...

Adenylate kinase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KR20, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,071 aa.

>A0A3Q0KR20_SCHMA|A0A3Q0KR20
MSSIIYSWVSHELNLNGQPVEKLFANGYFLGKLLNKYNKFQKFYLLKNSSSPESIVQNFSHLRPALQEMGINIDAHLSHDIIIEKPGSIQQLLYQIYVILSGVDGCNRCDIIDFRNFEHTQLNTLQNLSYKNQLKQLIPRQYDVSLAQILSRYERQMKINKKRIKEAELMDTLEKDALVQKRRNSRLQRSHDLRLMQSELMARLEASIINLPKSDRKKLETKSMDTQQTKQTHASSISLKELDDFDSRKEKCELYNSNASRTGDKSSEQLSPNLTLNTSTDDFNKATMNYMKQIHKKRQRRRRRVIMDILEANHIRQEEIRSEQIMQRLSRQSHLESRISVQLEQIKQEKSVILENRLERERQYETRRELEFQLAMDHEREMLLQQKEEEKEKFAILKQFWFEQRAKRQQASYKRHYEFIQNDIIPLLLQFVMNVADYRIFTGKLVPLRLFRQWKIEFVNGLLVNDASSTEDQAEDPVEEEMSNVANQLKLKKNQIIEDQQELLDDCDLDEYQNLTGDWNVAKIGTLYTKSLPNEFFWHVQGKPIEWIDFKDECKTCEFKLPNDINLIKTNPVLEWIIKRLYKLNFPPTIESNKSDLPEFPIKLALLGKPLSGKTTIISQLEKNNRCVGINPYTLIEEALKAYENKETDECSNTPVESSTLPGTETSSTVTLSAKAKLGESLWNELKVGKEISDDLLVDLVYEKIKSLQPTIGFILDGFPTNYNQAKLLEQKLTGNTLVMNNNKSNNIPLLLDVQNSTDLKLKNGLDLIILLDISDELILKRVAHTTISKTALNDSLTKYTTAEEIPYNNQVDIQTNTSSNQIHTMNNNSEVDENQNSTYSDNFNYSPYILQETQGNIPERLVNFIQSWPKLYKFYQKQNSNLCVVNLTDLLYNTKFNDYDIENNDESMKLAVYLEIERQIEEFIKRKENNALVKTIPVEQIEFTGNDRTIVMNVGENVEKENDDEKEEDSKHIQDYNMKDDKLKARNGSTNSLRSTQRPVTAKTSSSGKNSTTSRQSNHGKKEGSAESQRKTVGSRSPSGGRSAKQHDNKERRTNSNDRDKQVESVQKDKSRSHSGSEKKQSKKTKLKSTDSPQSVKETDKEQTVILQPDLPQPGDENYQFVELPVMNESAHILWEFWNSTETIYNRNLKSIFRQIRSLNSNIIPHMYHIKQQFYIYLYRPDSKQHFLNQFVSSFNSLLNEMRSDKETKADLHCRTDDLRDTLYEIIDETKQANENRLKTLLDIPGWFTDKQILLINSYLSLLQIELTRFQENAQLIKDYYKVMEARPQTVENESIQALSGTIDASQIEYTRIPLIKLPDEIVENDDSSGSRKSTSTRQNSSRSSSNRLNKLKLTDSGNTVLSKYPTPIDMKFEILPSEFRSQINLLNPNSSLQEIFAAFSKNGLSLTSQTISSNPPNQKGAKPGAVKANSIQEKVILSNPINLLLDKPTPSTDSSIQFLYNVFLSAMQIILNQVQAERKSRANEAMLDGYTVDLLIKPTDTKGGKLNSADKNKGGQPRKGQRKSVGPKEKGSKPDEQATTPVELTEEDQKAREVRQHIREEHIAALEKEAAKTAFRFTLIRAQGSAVLSDLQEKFSHLKQFMTDCIGIKTLKEHDAVNNTLEVIRYMIEKEQKLPEKMILDGEQFYIDESDTISPISNDSLLMEKLRISSPVINKSTESEPQYFNLSQLKYLCNKFSTLSQTGFIDVFNFQSILKPILTERFTELTGSCSTDTLYELLTCLVYKYRLSFETNSVKISATTDHNDLIKVNNTHEKQVYYIDWRQFLLAACQPAITYHHSTVITQSSLVELSQRLMELDQSVKHENLLNVKVTRAQFQFASFKWFPVGVKHYEELHDFIFSIFTKKVSQSKTNQTYLKNDSQNTETYINSQNYKTVSMEETVNCSDLLLNISVIQVKSPYIGFLRCLSTLLGRHVPYISVHNQLMVDLCDMEYEGVPQNCPDDPIPKEILEKILSFGLVITNQCRTVHDDLETSQVLDASEPGNFLISDKLQDIFTSLENNGQPSTLKNLLHNMDFQNLLISSLAHFKGIAQFSEPWITALQTYFNDSFYL
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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
1M51.4Low74.2Confident153 Ų15368.7 Ų68.775%0.75437%0.373SS*.  0-60.80-92.5-168.6167.300111.4S3 I4 I5M1-S3 PolarHBondContact O-N 3.14Å; M1-S3 VanDerWaalsContact O-N 3.15Å; M1-I4 WeakPolarHBondContact O-CB 3.48Å; M1-I4 PolarHBondContact O-N 2.67Å; M1-I5 PolarHBondContact O-N 3.36Å
2S67.8Low73.7Confident53 Ų5366.6 Ų66.637%0.37136%0.359SS..Hα-helixtrans-45.3-45.5174.450.50000112.9I4 I5 Y6 Q90S2-I4 VanDerWaalsContact C-N 3.25Å; S2-I4 PolarHBondContact O-N 2.85Å; S2-I4 VanDerWaalsContact O-N 3.15Å; S2-I5 CarbonylContact O-C 3.52Å; S2-I5 WeakPolarHBondContact O-CA 3.38Å; S2-I5 WeakPolarHBondContact O-CB 3.41Å; S2-I5 PolarHBondContact O-N 3.02Å; S2-Y6 VanDerWaalsContact O-CD2 3.23Å; S2-Y6 WeakPolarHBondContact O-CD2 3.16Å; S2-Y6 PolarHBondContact O-N 3.47Å; S2-Q90 VanDerWaalsContact CB-OE1 3.3Å
3S72.7Confident73.3Confident79 Ų7961.8 Ų61.855%0.55233%0.333SS*.Hα-helixtrans-49.7-36.2174.650.90000115.7M1 S7M1-S3 PolarHBondContact O-N 3.14Å; M1-S3 VanDerWaalsContact O-N 3.15Å; S3-S7 PolarHBondContact O-N 3.46Å; S3-S7 PolarHBondContact O-OG 2.96Å
4I79Confident73Confident89 Ų8966.6 Ų66.646%0.45636%0.359SS..Hα-helixtrans-74.2-36.1177.7-56.3172.4000110.3M1 S2 S7 W8M1-I4 WeakPolarHBondContact O-CB 3.48Å; M1-I4 PolarHBondContact O-N 2.67Å; S2-I4 VanDerWaalsContact C-N 3.25Å; S2-I4 PolarHBondContact O-N 2.85Å; S2-I4 VanDerWaalsContact O-N 3.15Å; I4-S7 WeakPolarHBondContact CA-OG 3.34Å; I4-S7 PolarHBondContact O-OG 3.36Å; I4-S7 VanDerWaalsContact O-OG 3.05Å; I4-W8 VanDerWaalsContact O-CB 3.26Å; I4-W8 WeakPolarHBondContact O-CB 3.45Å; I4-W8 PolarHBondContact O-N 3.05Å
5I76.8Confident72.4Confident14 Ų1463.6 Ų63.67%0.07234%0.342CS..Hα-helixtrans-69.3-42.9174.8-52.8170.2000109.6M1 S2 W8 V9 L93 Y94M1-I5 PolarHBondContact O-N 3.36Å; S2-I5 CarbonylContact O-C 3.52Å; S2-I5 WeakPolarHBondContact O-CA 3.38Å; S2-I5 WeakPolarHBondContact O-CB 3.41Å; S2-I5 PolarHBondContact O-N 3.02Å; I5-W8 HydrophobicContact CG2-CE3 4.18Å; I5-W8 HydrophobicContact CG2-CZ3 4.45Å; I5-W8 PolarHBondContact O-N 3.14Å; I5-V9 HydrophobicContact CG2-CG2 4.2Å; I5-V9 VanDerWaalsContact O-CB 3.31Å; I5-V9 WeakPolarHBondContact O-CB 3.49Å; I5-V9 VanDerWaalsContact O-CG2 3.24Å; I5-V9 WeakPolarHBondContact O-CG2 3.45Å; I5-V9 PolarHBondContact O-N 2.98Å; I5-L93 HydrophobicContact CG2-CB 3.64Å; I5-L93 HydrophobicContact CG2-CD1 4.38Å; I5-Y94 HydrophobicContact CD1-CD2 3.98Å; I5-Y94 HydrophobicContact CD1-CG 4.23Å
6Y77Confident71.6Confident74 Ų7469.4 Ų69.429%0.2937%0.373SS..Hα-helixtrans-60.9-46.2173.6-79.7-78.7000111.4S2 V9 S10 V20 E21 Q90S2-Y6 VanDerWaalsContact O-CD2 3.23Å; S2-Y6 WeakPolarHBondContact O-CD2 3.16Å; S2-Y6 PolarHBondContact O-N 3.47Å; Y6-V9 PolarHBondContact O-N 3.25Å; Y6-S10 VanDerWaalsContact O-CB 3.26Å; Y6-S10 WeakPolarHBondContact O-CB 3.47Å; Y6-S10 PolarHBondContact O-N 3.24Å; Y6-S10 PolarHBondContact O-OG 2.85Å; Y6-V20 HydrophobicContact CD1-CB 4.19Å; Y6-V20 HydrophobicContact CD1-CG2 3.49Å; Y6-V20 VanDerWaalsContact CD1-CG2 3.49Å; Y6-V20 HydrophobicContact CE1-CB 3.55Å; Y6-V20 HydrophobicContact CE1-CG2 3.37Å; Y6-E21 PolarHBondContact OH-OE1 3.05Å; Y6-E21 PolarHBondContact OH-OE2 2.83Å; Y6-Q90 PolarHBondContact OH-NE2 3.21Å; Y6-Q90 VanDerWaalsContact OH-NE2 3.1Å
7S77.6Confident71.1Confident74 Ų7470.1 Ų70.152%0.51740%0.4SS..Hα-helixtrans-65.8-41.4178.261.50000112.6S3 I4 H11S3-S7 PolarHBondContact O-N 3.46Å; S3-S7 PolarHBondContact O-OG 2.96Å; I4-S7 WeakPolarHBondContact CA-OG 3.34Å; I4-S7 PolarHBondContact O-OG 3.36Å; I4-S7 VanDerWaalsContact O-OG 3.05Å; S7-H11 WeakPolarHBondContact O-CB 3.37Å; S7-H11 PolarHBondContact O-N 3.27Å
8W81.9Confident70.8Confident28 Ų2872.8 Ų72.811%0.10641%0.409CS..Hα-helixtrans-59.4-54.1172.4169.260.9000111.9I4 I5 S10 H11 E12 L33 Y37 L93 I96 Y97 L100I4-W8 VanDerWaalsContact O-CB 3.26Å; I4-W8 WeakPolarHBondContact O-CB 3.45Å; I4-W8 PolarHBondContact O-N 3.05Å; I5-W8 HydrophobicContact CG2-CE3 4.18Å; I5-W8 HydrophobicContact CG2-CZ3 4.45Å; I5-W8 PolarHBondContact O-N 3.14Å; W8-S10 PolarHBondContact O-N 3.1Å; W8-H11 PolarHBondContact O-N 2.81Å; W8-E12 HydrophobicContact CG-CG 4.43Å; W8-E12 WeakPolarHBondContact O-CB 3.41Å; W8-E12 VanDerWaalsContact O-CG 3.26Å; W8-E12 WeakPolarHBondContact O-CG 3.36Å; W8-E12 PolarHBondContact O-N 3.42Å; W8-L33 HydrophobicContact CH2-CD1 3.8Å; W8-L33 HydrophobicContact CH2-CD2 3.86Å; W8-L33 HydrophobicContact CH2-CG 4.39Å; W8-L33 HydrophobicContact CZ2-CD1 4.07Å; W8-L33 HydrophobicContact CZ2-CD2 4.05Å; W8-L33 HydrophobicContact CZ2-CG 4.43Å; W8-L33 HydrophobicContact CZ3-CD1 4.29Å; W8-Y37 AromaticContact CZ2-CE2 4Å; W8-Y37 HydrophobicContact CZ2-CE2 4Å; W8-Y37 PolarHBondContact NE1-OH 3.1Å; W8-L93 HydrophobicContact CZ3-CD2 4.38Å; W8-I96 HydrophobicContact CH2-CG2 4.06Å; W8-Y97 HydrophobicContact CB-CD2 4.45Å; W8-Y97 HydrophobicContact CB-CE2 4.26Å; W8-Y97 AromaticContact CD2-CD2 3.42Å; W8-Y97 HydrophobicContact CD2-CD2 3.42Å; W8-Y97 VanDerWaalsContact CD2-CD2 3.42Å; W8-Y97 HydrophobicContact CD2-CE2 4Å; W8-Y97 HydrophobicContact CD2-CG 4.36Å; W8-Y97 AromaticContact CE2-CD2 3.7Å; W8-Y97 AromaticContact CE3-CD2 3.63Å; W8-Y97 HydrophobicContact CE3-CD2 3.63Å; W8-Y97 HydrophobicContact CE3-CG 4.13Å; W8-Y97 AromaticContact CG-CD2 3.78Å; W8-Y97 HydrophobicContact CG-CD2 3.78Å; W8-Y97 AromaticContact CG-CE2 3.84Å; W8-Y97 HydrophobicContact CG-CE2 3.84Å; W8-Y97 HydrophobicContact CH2-CD2 4.37Å; W8-Y97 HydrophobicContact CZ2-CD2 4.18Å; W8-Y97 HydrophobicContact CZ3-CD2 4.11Å; W8-Y97 HydrophobicContact CZ3-CG 4.35Å; W8-L100 HydrophobicContact CH2-CD1 4.29Å; W8-L100 HydrophobicContact CZ2-CD1 3.9Å
9V77.9Confident70.9Confident1 Ų172.8 Ų72.81%0.00641%0.412CS..Hα-helixtrans-64.9-40.3-177.5173.30000112I5 Y6 E12 L13 L15 F24 L33 L93I5-V9 HydrophobicContact CG2-CG2 4.2Å; I5-V9 VanDerWaalsContact O-CB 3.31Å; I5-V9 WeakPolarHBondContact O-CB 3.49Å; I5-V9 VanDerWaalsContact O-CG2 3.24Å; I5-V9 WeakPolarHBondContact O-CG2 3.45Å; I5-V9 PolarHBondContact O-N 2.98Å; Y6-V9 PolarHBondContact O-N 3.25Å; V9-E12 PolarHBondContact O-N 2.92Å; V9-L13 HydrophobicContact CG1-CD1 3.97Å; V9-L13 WeakPolarHBondContact O-CB 3.26Å; V9-L13 PolarHBondContact O-N 3.17Å; V9-L15 HydrophobicContact CG1-CD1 3.79Å; V9-F24 HydrophobicContact CG1-CE2 3.7Å; V9-F24 HydrophobicContact CG1-CZ 3.62Å; V9-L33 HydrophobicContact CG2-CD1 4.21Å; V9-L93 HydrophobicContact CG2-CD1 4.2Å; V9-L93 HydrophobicContact CG2-CD2 4.1Å
10S77.9Confident71.1Confident42 Ų4269.4 Ų69.429%0.29439%0.393SS..Hα-helixtrans-67.2-36.3176.6-69.30000112.6Y6 W8 N14 L15Y6-S10 VanDerWaalsContact O-CB 3.26Å; Y6-S10 WeakPolarHBondContact O-CB 3.47Å; Y6-S10 PolarHBondContact O-N 3.24Å; Y6-S10 PolarHBondContact O-OG 2.85Å; W8-S10 PolarHBondContact O-N 3.1Å; S10-N14 WeakPolarHBondContact O-CA 3.41Å; S10-N14 PolarHBondContact O-N 3.16Å; S10-L15 PolarHBondContact O-N 2.88Å
11H75.7Confident71.6Confident149 Ų14967 Ų6769%0.6938%0.379SS*.Hα-helixtrans-73.3-32.3174.5-173.7-88.6000112.6S7 W8S7-H11 WeakPolarHBondContact O-CB 3.37Å; S7-H11 PolarHBondContact O-N 3.27Å; W8-H11 PolarHBondContact O-N 2.81Å
12E69.1Low73Confident43 Ų4365.6 Ų65.620%0.20137%0.368CS..Hα-helixtrans-82.1-30-179.4-71.1-68.3-177.400113.8W8 V9 K36 Y37W8-E12 HydrophobicContact CG-CG 4.43Å; W8-E12 WeakPolarHBondContact O-CB 3.41Å; W8-E12 VanDerWaalsContact O-CG 3.26Å; W8-E12 WeakPolarHBondContact O-CG 3.36Å; W8-E12 PolarHBondContact O-N 3.42Å; V9-E12 PolarHBondContact O-N 2.92Å; E12-K36 PolarHBondContact O-NZ 3.33Å; E12-K36 WeakPolarHBondContact OE2-CD 3.39Å; E12-K36 VanDerWaalsContact OE2-CE 3.27Å; E12-K36 WeakPolarHBondContact OE2-CE 3.43Å; E12-K36 IonicContact OE2-NZ 2.64Å; E12-K36 PolarHBondContact OE2-NZ 3.34Å; E12-Y37 WeakPolarHBondContact CG-OH 3.46Å; E12-Y37 PolarHBondContact OE1-OH 3.19Å
13L68Low73.5Confident5 Ų564.3 Ų64.33%0.02636%0.357CS..Hα-helixtrans-112.9-7.2-174.9-61.9-177.4000115.3V9 L15 F24 F29 K32 L33V9-L13 HydrophobicContact CG1-CD1 3.97Å; V9-L13 WeakPolarHBondContact O-CB 3.26Å; V9-L13 PolarHBondContact O-N 3.17Å; L13-L15 HydrophobicContact CB-CD1 4.3Å; L13-L15 HydrophobicContact CB-CD2 3.99Å; L13-L15 HydrophobicContact CB-CG 3.91Å; L13-L15 HydrophobicContact CD1-CD1 4.48Å; L13-F24 HydrophobicContact CD1-CE1 4.42Å; L13-F24 HydrophobicContact CD1-CE2 4.17Å; L13-F24 HydrophobicContact CD1-CZ 3.56Å; L13-F29 HydrophobicContact CD1-CB 4.3Å; L13-F29 HydrophobicContact CD1-CD1 4.27Å; L13-K32 HydrophobicContact CD2-CB 4.24Å; L13-K32 HydrophobicContact CD2-CD 3.99Å; L13-K32 HydrophobicContact CD2-CG 3.94Å; L13-K32 PolarHBondContact O-NZ 3.19Å; L13-L33 HydrophobicContact CD1-CB 4.35Å; L13-L33 HydrophobicContact CD1-CD1 4.29Å; L13-L33 HydrophobicContact CD2-CB 4.13Å
14N69.3Low74.1Confident129 Ų12960.6 Ų60.669%0.6933%0.331SS*.THydrogen-bonded Turntrans56.472-171.9-65.313.6000112.4S10S10-N14 WeakPolarHBondContact O-CA 3.41Å; S10-N14 PolarHBondContact O-N 3.16Å
15L64.4Low74.4Confident21 Ų2156.9 Ų56.911%0.1131%0.313CS..  trans-107.2106.9-176.2-55.9-177.2000112.4V9 S10 L13 G17 L23 F24 F29V9-L15 HydrophobicContact CG1-CD1 3.79Å; S10-L15 PolarHBondContact O-N 2.88Å; L13-L15 HydrophobicContact CB-CD1 4.3Å; L13-L15 HydrophobicContact CB-CD2 3.99Å; L13-L15 HydrophobicContact CB-CG 3.91Å; L13-L15 HydrophobicContact CD1-CD1 4.48Å; L15-G17 VanDerWaalsContact C-N 3.31Å; L15-G17 PolarHBondContact O-N 3.04Å; L15-L23 HydrophobicContact CB-CD1 4.45Å; L15-L23 HydrophobicContact CD1-CD1 3.81Å; L15-L23 HydrophobicContact CD2-CD1 3.92Å; L15-L23 HydrophobicContact CG-CD1 4.27Å; L15-F24 HydrophobicContact CD1-CE2 4.34Å; L15-F29 HydrophobicContact CD2-CD1 4.32Å; L15-F29 HydrophobicContact CD2-CE1 4.08Å
16N59.4Low74.7Confident157 Ų15757 Ų5784%0.8431%0.314SS*.  trans-77.374-178.9-64.9-1.1000111.8Q18N16-Q18 VanDerWaalsContact C-N 3.32Å; N16-Q18 PolarHBondContact O-N 2.92Å; N16-Q18 VanDerWaalsContact O-N 3.14Å
17G62.6Low75Confident80 Ų8053.4 Ų53.483%0.82530%0.3SS*.SBendtrans73.23.5163.200000118L15L15-G17 VanDerWaalsContact C-N 3.31Å; L15-G17 PolarHBondContact O-N 3.04Å
18Q66.1Low75.5Confident120 Ų12052.5 Ų52.556%0.56129%0.286SS*.  trans-78.9151.3177.9-69.1-1671200113.1N16 V20 L23N16-Q18 VanDerWaalsContact C-N 3.32Å; N16-Q18 PolarHBondContact O-N 2.92Å; N16-Q18 VanDerWaalsContact O-N 3.14Å; Q18-V20 PolarHBondContact O-N 3.45Å; Q18-L23 HydrophobicContact CB-CD1 3.97Å; Q18-L23 HydrophobicContact CB-CG 4.33Å
19P73.2Confident75.6Confident72 Ų7252.8 Ų52.847%0.46829%0.288SS..  trans-63.7125.5178.424.9-33.5000112E21 K22 L23P19-E21 VanDerWaalsContact C-N 3.28Å; P19-E21 PolarHBondContact O-N 3.31Å; P19-K22 HydrophobicContact CG-CB 4.16Å; P19-K22 PolarHBondContact O-N 3.47Å; P19-K22 VanDerWaalsContact O-N 3.16Å; P19-L23 PolarHBondContact O-N 3.47Å
20V74.8Confident76Confident4 Ų452.8 Ų52.82%0.02429%0.288CS..Hα-helixtrans-60.7-37.6-177.3160.90000111.8Y6 Q18 K22 L23 F24 I89 L93Y6-V20 HydrophobicContact CD1-CB 4.19Å; Y6-V20 HydrophobicContact CD1-CG2 3.49Å; Y6-V20 VanDerWaalsContact CD1-CG2 3.49Å; Y6-V20 HydrophobicContact CE1-CB 3.55Å; Y6-V20 HydrophobicContact CE1-CG2 3.37Å; Q18-V20 PolarHBondContact O-N 3.45Å; V20-K22 VanDerWaalsContact C-N 3.26Å; V20-K22 PolarHBondContact O-N 3.35Å; V20-L23 PolarHBondContact O-N 3.13Å; V20-F24 HydrophobicContact CB-CD2 4.49Å; V20-F24 HydrophobicContact CG1-CD2 3.7Å; V20-F24 HydrophobicContact CG1-CE2 3.97Å; V20-F24 HydrophobicContact CG1-CG 4.44Å; V20-F24 WeakPolarHBondContact O-CB 3.3Å; V20-F24 WeakPolarHBondContact O-CD2 3.2Å; V20-F24 PolarHBondContact O-N 2.73Å; V20-I89 HydrophobicContact CG1-CG1 4.43Å; V20-I89 HydrophobicContact CG1-CG2 4.18Å; V20-L93 HydrophobicContact CG1-CD1 3.62Å
21E81.1Confident76.3Confident21 Ų2150.8 Ų50.810%0.09827%0.274CS..Hα-helixtrans-44.9-50.4172.7-73.263.1-152.800111.9Y6 P19 A25 E84 I89 Q90Y6-E21 PolarHBondContact OH-OE1 3.05Å; Y6-E21 PolarHBondContact OH-OE2 2.83Å; P19-E21 VanDerWaalsContact C-N 3.28Å; P19-E21 PolarHBondContact O-N 3.31Å; E21-A25 PolarHBondContact O-N 3.33Å; E21-E84 HydrophobicContact CB-CB 4.32Å; E21-I89 HydrophobicContact CG-CG2 4.13Å; E21-Q90 PolarHBondContact OE1-NE2 2.89Å
22K80.4Confident76.7Confident123 Ų12347.6 Ų47.654%0.53526%0.258SS..Hα-helixtrans-75.5-40.4-177-176.1155.7-169.7168.40113.9P19 V20 F24 E84P19-K22 HydrophobicContact CG-CB 4.16Å; P19-K22 PolarHBondContact O-N 3.47Å; P19-K22 VanDerWaalsContact O-N 3.16Å; V20-K22 VanDerWaalsContact C-N 3.26Å; V20-K22 PolarHBondContact O-N 3.35Å; K22-F24 VanDerWaalsContact C-N 3.33Å; K22-F24 PolarHBondContact O-N 2.92Å; K22-E84 HydrophobicContact CB-CG 4.48Å; K22-E84 WeakPolarHBondContact CG-OE1 3.27Å
23L78.5Confident77.4Confident26 Ų2645.5 Ų45.514%0.13625%0.248CC..Hα-helixtrans-66-37.4179.2-72.2173.8000111.9L15 Q18 P19 V20 F29L15-L23 HydrophobicContact CB-CD1 4.45Å; L15-L23 HydrophobicContact CD1-CD1 3.81Å; L15-L23 HydrophobicContact CD2-CD1 3.92Å; L15-L23 HydrophobicContact CG-CD1 4.27Å; Q18-L23 HydrophobicContact CB-CD1 3.97Å; Q18-L23 HydrophobicContact CB-CG 4.33Å; P19-L23 PolarHBondContact O-N 3.47Å; V20-L23 PolarHBondContact O-N 3.13Å; L23-F29 HydrophobicContact CB-CD2 4.42Å; L23-F29 HydrophobicContact CD2-CE2 4.17Å; L23-F29 HydrophobicContact CD2-CZ 4.35Å; L23-F29 VanDerWaalsContact O-CD2 3.28Å; L23-F29 WeakPolarHBondContact O-CD2 3.32Å
24F84.7Confident78Confident1 Ų145.3 Ų45.30%0.00425%0.247CC..Hα-helixtrans-88.1-12.7-177.2-78.5-103.2000114.1V9 L13 L15 V20 K22 N26 G27 F29 L30 I89 L93V9-F24 HydrophobicContact CG1-CE2 3.7Å; V9-F24 HydrophobicContact CG1-CZ 3.62Å; L13-F24 HydrophobicContact CD1-CE1 4.42Å; L13-F24 HydrophobicContact CD1-CE2 4.17Å; L13-F24 HydrophobicContact CD1-CZ 3.56Å; L15-F24 HydrophobicContact CD1-CE2 4.34Å; V20-F24 HydrophobicContact CB-CD2 4.49Å; V20-F24 HydrophobicContact CG1-CD2 3.7Å; V20-F24 HydrophobicContact CG1-CE2 3.97Å; V20-F24 HydrophobicContact CG1-CG 4.44Å; V20-F24 WeakPolarHBondContact O-CB 3.3Å; V20-F24 WeakPolarHBondContact O-CD2 3.2Å; V20-F24 PolarHBondContact O-N 2.73Å; K22-F24 VanDerWaalsContact C-N 3.33Å; K22-F24 PolarHBondContact O-N 2.92Å; F24-N26 PolarHBondContact O-N 2.78Å; F24-G27 PolarHBondContact O-N 3.39Å; F24-F29 HydrophobicContact CD1-CB 4.34Å; F24-F29 HydrophobicContact CD2-CB 4.37Å; F24-F29 HydrophobicContact CE1-CB 4.2Å; F24-F29 HydrophobicContact CE2-CB 4.24Å; F24-F29 HydrophobicContact CG-CB 4.44Å; F24-F29 HydrophobicContact CZ-CB 4.17Å; F24-L30 HydrophobicContact CD1-CB 3.99Å; F24-L30 HydrophobicContact CD1-CD1 3.99Å; F24-L30 HydrophobicContact CE1-CB 4.25Å; F24-L30 HydrophobicContact CE1-CD1 4.02Å; F24-I89 HydrophobicContact CB-CD1 3.69Å; F24-I89 HydrophobicContact CB-CG1 3.62Å; F24-I89 HydrophobicContact CD1-CD1 3.99Å; F24-I89 HydrophobicContact CD1-CG1 4.3Å; F24-I89 HydrophobicContact CG-CD1 4.1Å; F24-I89 HydrophobicContact CG-CG1 4.01Å; F24-L93 HydrophobicContact CD1-CD2 4.36Å; F24-L93 HydrophobicContact CE1-CD1 4.42Å; F24-L93 HydrophobicContact CE1-CD2 3.75Å; F24-L93 HydrophobicContact CZ-CD1 4.38Å; F24-L93 HydrophobicContact CZ-CD2 4.11Å
25A85.1Confident78.6Confident11 Ų1141.7 Ų41.79%0.09123%0.228CC..THydrogen-bonded Turntrans-54.3-25175.200000114.1E21 F59 I82 E84E21-A25 PolarHBondContact O-N 3.33Å; A25-F59 WeakPolarHBondContact O-CE2 3.48Å; A25-I82 WeakPolarHBondContact O-CG1 3.32Å; A25-E84 HydrophobicContact CB-CG 4.12Å
26N83.9Confident79.4Confident15 Ų1545.9 Ų45.98%0.0825%0.245CC..THydrogen-bonded Turntrans-87.4-7.7176.5-165.113.3000114F24 Y28 N48 S49 I55 N58F24-N26 PolarHBondContact O-N 2.78Å; N26-Y28 PolarHBondContact O-N 3.35Å; N26-N48 WeakPolarHBondContact ND2-CA 3.42Å; N26-N48 PolarHBondContact ND2-OD1 3.27Å; N26-N48 VanDerWaalsContact ND2-OD1 3.11Å; N26-S49 PolarHBondContact ND2-N 3.06Å; N26-S49 VanDerWaalsContact ND2-N 3.17Å; N26-S49 PolarHBondContact OD1-O 2.82Å; N26-I55 WeakPolarHBondContact OD1-CG1 3.48Å; N26-N58 WeakPolarHBondContact O-CB 3.25Å; N26-N58 PolarHBondContact O-ND2 3.16Å; N26-N58 PolarHBondContact OD1-ND2 2.79Å; N26-N58 VanDerWaalsContact OD1-ND2 3.16Å
27G84.2Confident80.1Confident0 Ų041.7 Ų41.70%022%0.218CC..SBendtrans69.4-23.6-174.100000115.5F24 F29 L30 G31 L62F24-G27 PolarHBondContact O-N 3.39Å; G27-F29 VanDerWaalsContact C-N 3.35Å; G27-F29 PolarHBondContact O-N 2.96Å; G27-L30 WeakPolarHBondContact O-CA 3.32Å; G27-L30 VanDerWaalsContact O-CB 3.23Å; G27-L30 WeakPolarHBondContact O-CB 3.33Å; G27-L30 PolarHBondContact O-N 3.49Å; G27-G31 PolarHBondContact O-N 2.88Å; G27-L62 VanDerWaalsContact O-CD1 3.28Å; G27-L62 WeakPolarHBondContact O-CD1 3.27Å
28Y87.3Confident80.7Confident55 Ų5544 Ų4422%0.21621%0.211CC..Hα-helixtrans-53.5-44.9-178.4-179.3-100.4000113.5N26 G31 K32 F43 L46 N48N26-Y28 PolarHBondContact O-N 3.35Å; Y28-G31 PolarHBondContact O-N 3.42Å; Y28-K32 PolarHBondContact O-N 3.41Å; Y28-F43 HydrophobicContact CD2-CE2 4.47Å; Y28-F43 HydrophobicContact CD2-CZ 4.43Å; Y28-F43 HydrophobicContact CE1-CZ 4.2Å; Y28-F43 HydrophobicContact CE2-CE1 4.3Å; Y28-F43 HydrophobicContact CE2-CE2 4.06Å; Y28-F43 AromaticContact CE2-CZ 3.62Å; Y28-F43 HydrophobicContact CE2-CZ 3.62Å; Y28-F43 AromaticContact CZ-CZ 3.49Å; Y28-F43 VanDerWaalsContact CZ-CZ 3.49Å; Y28-F43 WeakPolarHBondContact OH-CZ 3.4Å; Y28-L46 HydrophobicContact CD2-CB 3.84Å; Y28-L46 HydrophobicContact CE2-CB 4.38Å; Y28-N48 HydrophobicContact CD1-CB 3.65Å; Y28-N48 HydrophobicContact CD2-CB 3.95Å; Y28-N48 HydrophobicContact CE1-CB 3.8Å; Y28-N48 HydrophobicContact CE2-CB 4.1Å; Y28-N48 HydrophobicContact CG-CB 3.72Å
29F84.2Confident80.9Confident33 Ų3343.7 Ų43.715%0.14521%0.208CC..Hα-helixtrans-69.5-30177.1-75.3-87.6000113.4L13 L15 L23 F24 G27 K32 L33L13-F29 HydrophobicContact CD1-CB 4.3Å; L13-F29 HydrophobicContact CD1-CD1 4.27Å; L15-F29 HydrophobicContact CD2-CD1 4.32Å; L15-F29 HydrophobicContact CD2-CE1 4.08Å; L23-F29 HydrophobicContact CB-CD2 4.42Å; L23-F29 HydrophobicContact CD2-CE2 4.17Å; L23-F29 HydrophobicContact CD2-CZ 4.35Å; L23-F29 VanDerWaalsContact O-CD2 3.28Å; L23-F29 WeakPolarHBondContact O-CD2 3.32Å; F24-F29 HydrophobicContact CD1-CB 4.34Å; F24-F29 HydrophobicContact CD2-CB 4.37Å; F24-F29 HydrophobicContact CE1-CB 4.2Å; F24-F29 HydrophobicContact CE2-CB 4.24Å; F24-F29 HydrophobicContact CG-CB 4.44Å; F24-F29 HydrophobicContact CZ-CB 4.17Å; G27-F29 VanDerWaalsContact C-N 3.35Å; G27-F29 PolarHBondContact O-N 2.96Å; F29-K32 HydrophobicContact CD1-CD 4.41Å; F29-K32 PolarHBondContact O-N 3.32Å; F29-L33 PolarHBondContact O-N 3.09Å
30L86.3Confident81Confident2 Ų240.9 Ų40.91%0.0119%0.189CC..Hα-helixtrans-63.4-44.6170.1-163.670000110.2F24 G27 L33 L34 L62 L66 L92 L93 I96F24-L30 HydrophobicContact CD1-CB 3.99Å; F24-L30 HydrophobicContact CD1-CD1 3.99Å; F24-L30 HydrophobicContact CE1-CB 4.25Å; F24-L30 HydrophobicContact CE1-CD1 4.02Å; G27-L30 WeakPolarHBondContact O-CA 3.32Å; G27-L30 VanDerWaalsContact O-CB 3.23Å; G27-L30 WeakPolarHBondContact O-CB 3.33Å; G27-L30 PolarHBondContact O-N 3.49Å; L30-L33 PolarHBondContact O-N 2.92Å; L30-L34 WeakPolarHBondContact O-CG 3.4Å; L30-L34 PolarHBondContact O-N 3.03Å; L30-L62 HydrophobicContact CB-CD1 4.47Å; L30-L66 HydrophobicContact CD2-CD1 3.74Å; L30-L92 HydrophobicContact CD1-CD2 4.44Å; L30-L92 HydrophobicContact CD2-CD2 3.89Å; L30-L93 HydrophobicContact CD1-CD2 4.16Å; L30-I96 HydrophobicContact CD1-CD1 3.61Å; L30-I96 HydrophobicContact CG-CD1 4.46Å
31G84.7Confident80.8Confident0 Ų048.6 Ų48.60%022%0.224CC..Hα-helixtrans-62.9-37.6172.700000114.1G27 Y28 L33 L34 N35 L62G27-G31 PolarHBondContact O-N 2.88Å; Y28-G31 PolarHBondContact O-N 3.42Å; G31-L33 VanDerWaalsContact C-N 3.34Å; G31-L34 PolarHBondContact O-N 3.25Å; G31-N35 WeakPolarHBondContact O-CB 3.32Å; G31-N35 PolarHBondContact O-N 3.45Å; G31-L62 VanDerWaalsContact CA-CD2 3.49Å
32K83.3Confident80.6Confident81 Ų8153.6 Ų53.635%0.35225%0.246SC..Hα-helixtrans-62.6-42.5175.1-172.3-177.5171.4-165.40110.7L13 Y28 F29 K36 F43L13-K32 HydrophobicContact CD2-CB 4.24Å; L13-K32 HydrophobicContact CD2-CD 3.99Å; L13-K32 HydrophobicContact CD2-CG 3.94Å; L13-K32 PolarHBondContact O-NZ 3.19Å; Y28-K32 PolarHBondContact O-N 3.41Å; F29-K32 HydrophobicContact CD1-CD 4.41Å; F29-K32 PolarHBondContact O-N 3.32Å; K32-K36 PolarHBondContact O-N 2.92Å; K32-F43 HydrophobicContact CB-CE2 3.82Å; K32-F43 HydrophobicContact CB-CZ 4.09Å; K32-F43 HydrophobicContact CG-CE2 4.49Å; K32-F43 HydrophobicContact CG-CZ 4.34Å
33L83.4Confident80.5Confident0 Ų050 Ų500%023%0.23CC..Hα-helixtrans-65-49.8176.4-169.7148000111.5W8 V9 L13 F29 L30 G31 N35 K36 Y37 L93 I96 L100W8-L33 HydrophobicContact CH2-CD1 3.8Å; W8-L33 HydrophobicContact CH2-CD2 3.86Å; W8-L33 HydrophobicContact CH2-CG 4.39Å; W8-L33 HydrophobicContact CZ2-CD1 4.07Å; W8-L33 HydrophobicContact CZ2-CD2 4.05Å; W8-L33 HydrophobicContact CZ2-CG 4.43Å; W8-L33 HydrophobicContact CZ3-CD1 4.29Å; V9-L33 HydrophobicContact CG2-CD1 4.21Å; L13-L33 HydrophobicContact CD1-CB 4.35Å; L13-L33 HydrophobicContact CD1-CD1 4.29Å; L13-L33 HydrophobicContact CD2-CB 4.13Å; F29-L33 PolarHBondContact O-N 3.09Å; L30-L33 PolarHBondContact O-N 2.92Å; G31-L33 VanDerWaalsContact C-N 3.34Å; L33-N35 VanDerWaalsContact C-N 3.31Å; L33-N35 PolarHBondContact O-N 3.08Å; L33-K36 WeakPolarHBondContact O-CB 3.49Å; L33-K36 PolarHBondContact O-N 2.85Å; L33-K36 VanDerWaalsContact O-N 3.17Å; L33-Y37 HydrophobicContact CD2-CD2 4.12Å; L33-Y37 HydrophobicContact CD2-CE2 4.04Å; L33-Y37 HydrophobicContact CG-CE2 4.24Å; L33-Y37 VanDerWaalsContact O-CD2 3.28Å; L33-Y37 WeakPolarHBondContact O-CD2 3.42Å; L33-Y37 PolarHBondContact O-N 3.29Å; L33-L93 HydrophobicContact CD1-CD2 4.38Å; L33-I96 HydrophobicContact CD2-CG2 3.88Å; L33-L100 HydrophobicContact CD2-CD1 4.19Å
34L81.6Confident80.5Confident1 Ų157.4 Ų57.41%0.00526%0.257CS..Hα-helixtrans-64.1-33.8178.1-65.5176.5000113.2L30 G31 N38 K39 F40 L62 L66 M69 I96L30-L34 WeakPolarHBondContact O-CG 3.4Å; L30-L34 PolarHBondContact O-N 3.03Å; G31-L34 PolarHBondContact O-N 3.25Å; L34-N38 PolarHBondContact O-N 3.06Å; L34-K39 PolarHBondContact O-N 3.27Å; L34-F40 HydrophobicContact CB-CB 3.64Å; L34-F40 PolarHBondContact O-N 2.88Å; L34-L62 HydrophobicContact CD1-CD2 4.24Å; L34-L66 HydrophobicContact CD1-CD1 4.03Å; L34-L66 HydrophobicContact CD1-CD2 3.87Å; L34-L66 HydrophobicContact CD1-CG 3.8Å; L34-L66 HydrophobicContact CD2-CD2 4.31Å; L34-M69 HydrophobicContact CD2-CE 4.02Å; L34-M69 HydrophobicContact CD2-SD 3.58Å; L34-M69 VanDerWaalsContact CD2-SD 3.58Å; L34-I96 HydrophobicContact CD2-CG2 4.31Å
35N82.7Confident80.3Confident52 Ų5259.8 Ų59.828%0.27827%0.27SS..Hα-helixtrans-67.3-39.2173.9-173.341.7000111.5G31 L33 Y37 N38 F40 F43G31-N35 WeakPolarHBondContact O-CB 3.32Å; G31-N35 PolarHBondContact O-N 3.45Å; L33-N35 VanDerWaalsContact C-N 3.31Å; L33-N35 PolarHBondContact O-N 3.08Å; N35-Y37 PolarHBondContact O-N 3.41Å; N35-N38 WeakPolarHBondContact O-CA 3.5Å; N35-N38 PolarHBondContact O-N 3.17Å; N35-F40 WeakPolarHBondContact CB-O 3.34Å; N35-F40 PolarHBondContact OD1-O 3.39Å; N35-F40 VanDerWaalsContact OD1-O 3.09Å; N35-F43 HydrophobicContact CB-CB 4.24Å; N35-F43 HydrophobicContact CB-CD2 4.12Å; N35-F43 HydrophobicContact CB-CG 4.31Å
36K80.3Confident80.2Confident109 Ų10959.9 Ų59.947%0.47427%0.269SS..Hα-helixtrans-59.6-34177.7-161.4-179.1-173.2-173.90112.9E12 K32 L33 N38E12-K36 PolarHBondContact O-NZ 3.33Å; E12-K36 WeakPolarHBondContact OE2-CD 3.39Å; E12-K36 VanDerWaalsContact OE2-CE 3.27Å; E12-K36 WeakPolarHBondContact OE2-CE 3.43Å; E12-K36 IonicContact OE2-NZ 2.64Å; E12-K36 PolarHBondContact OE2-NZ 3.34Å; K32-K36 PolarHBondContact O-N 2.92Å; L33-K36 WeakPolarHBondContact O-CB 3.49Å; L33-K36 PolarHBondContact O-N 2.85Å; L33-K36 VanDerWaalsContact O-N 3.17Å; K36-N38 VanDerWaalsContact C-N 3.34Å
37Y75Confident80.1Confident70 Ų7064.3 Ų64.328%0.27529%0.287SS..THydrogen-bonded Turntrans-92.618.4173.7-60.8-74000113.9W8 E12 L33 N35 K39 L100W8-Y37 AromaticContact CZ2-CE2 4Å; W8-Y37 HydrophobicContact CZ2-CE2 4Å; W8-Y37 PolarHBondContact NE1-OH 3.1Å; E12-Y37 WeakPolarHBondContact CG-OH 3.46Å; E12-Y37 PolarHBondContact OE1-OH 3.19Å; L33-Y37 HydrophobicContact CD2-CD2 4.12Å; L33-Y37 HydrophobicContact CD2-CE2 4.04Å; L33-Y37 HydrophobicContact CG-CE2 4.24Å; L33-Y37 VanDerWaalsContact O-CD2 3.28Å; L33-Y37 WeakPolarHBondContact O-CD2 3.42Å; L33-Y37 PolarHBondContact O-N 3.29Å; N35-Y37 PolarHBondContact O-N 3.41Å; Y37-K39 PolarHBondContact O-N 3.38Å; Y37-L100 HydrophobicContact CD1-CD2 4.45Å; Y37-L100 HydrophobicContact CD2-CD1 3.45Å; Y37-L100 VanDerWaalsContact CD2-CD1 3.45Å; Y37-L100 HydrophobicContact CD2-CD2 4.27Å; Y37-L100 HydrophobicContact CD2-CG 4.48Å; Y37-L100 HydrophobicContact CE2-CD1 3.59Å; Y37-L100 HydrophobicContact CG-CD1 3.99Å; Y37-L100 HydrophobicContact CG-CD2 3.98Å
38N73.9Confident80.1Confident127 Ų12768.9 Ų68.968%0.67931%0.312SS*.THydrogen-bonded Turntrans56.216.7-179.4-70.3-41.8000115.8L34 N35 K36L34-N38 PolarHBondContact O-N 3.06Å; N35-N38 WeakPolarHBondContact O-CA 3.5Å; N35-N38 PolarHBondContact O-N 3.17Å; K36-N38 VanDerWaalsContact C-N 3.34Å
39K69.9Low79.9Confident115 Ų11568.5 Ų68.550%0.532%0.317SS..SBendtrans-84.7-18.1177.1-59-60.1-176.8175.80113.3L34 Y37 M69L34-K39 PolarHBondContact O-N 3.27Å; Y37-K39 PolarHBondContact O-N 3.38Å; K39-M69 HydrophobicContact CB-SD 3.9Å; K39-M69 HydrophobicContact CG-SD 3.96Å
40F75.7Confident79.6Confident13 Ų1371.9 Ų71.96%0.05735%0.345CS..  trans-132.284.1178.5-171.6-105.5000113.6L34 N35 K42 L46 H61 L62 A65L34-F40 HydrophobicContact CB-CB 3.64Å; L34-F40 PolarHBondContact O-N 2.88Å; N35-F40 WeakPolarHBondContact CB-O 3.34Å; N35-F40 PolarHBondContact OD1-O 3.39Å; N35-F40 VanDerWaalsContact OD1-O 3.09Å; F40-K42 VanDerWaalsContact C-N 3.31Å; F40-K42 VanDerWaalsContact CE1-C 3.49Å; F40-K42 HydrophobicContact CE1-CB 4.43Å; F40-K42 WeakPolarHBondContact CE1-O 3.33Å; F40-K42 HydrophobicContact CE2-CB 4.43Å; F40-K42 HydrophobicContact CZ-CB 4.05Å; F40-K42 PolarHBondContact O-N 2.82Å; F40-L46 HydrophobicContact CD1-CD1 4.17Å; F40-L46 HydrophobicContact CE1-CD1 3.61Å; F40-L46 HydrophobicContact CE1-CD2 4.22Å; F40-L46 HydrophobicContact CE1-CG 3.87Å; F40-L46 HydrophobicContact CZ-CD1 4.44Å; F40-L46 HydrophobicContact CZ-CD2 4.3Å; F40-L46 HydrophobicContact CZ-CG 4.4Å; F40-H61 WeakPolarHBondContact CE2-O 3.2Å; F40-H61 HydrophobicContact CZ-CB 4.22Å; F40-L62 HydrophobicContact CD1-CD2 4.31Å; F40-L62 HydrophobicContact CD2-CD2 4.49Å; F40-L62 HydrophobicContact CE1-CD2 4.33Å; F40-L62 HydrophobicContact CE2-CD2 4.5Å; F40-L62 HydrophobicContact CG-CD2 4.4Å; F40-L62 HydrophobicContact CZ-CD2 4.42Å; F40-A65 HydrophobicContact CD2-CB 3.66Å; F40-A65 HydrophobicContact CE2-CB 4.37Å
41Q71.1Confident79.4Confident166 Ų16673.2 Ų73.278%0.77636%0.355SS*.  trans-69-20.8-175.6-62.2177-0.200114.7F43Q41-F43 VanDerWaalsContact C-N 3.26Å; Q41-F43 PolarHBondContact O-N 3.48Å
42K76.6Confident79.3Confident125 Ų12573.9 Ų73.954%0.54336%0.359SS..  trans-90.636.3-173.5-64.7-179.1-178.21710113.3F40 Y44 L45F40-K42 VanDerWaalsContact C-N 3.31Å; F40-K42 VanDerWaalsContact CE1-C 3.49Å; F40-K42 HydrophobicContact CE1-CB 4.43Å; F40-K42 WeakPolarHBondContact CE1-O 3.33Å; F40-K42 HydrophobicContact CE2-CB 4.43Å; F40-K42 HydrophobicContact CZ-CB 4.05Å; F40-K42 PolarHBondContact O-N 2.82Å; K42-Y44 VanDerWaalsContact C-N 3.25Å; K42-Y44 PolarHBondContact O-N 3.26Å; K42-Y44 VanDerWaalsContact O-N 3.16Å; K42-L45 HydrophobicContact CB-CD1 4.07Å; K42-L45 HydrophobicContact CB-CG 4.46Å; K42-L45 HydrophobicContact CD-CD1 4.26Å; K42-L45 WeakPolarHBondContact O-CB 3.46Å; K42-L45 PolarHBondContact O-N 3.48Å
43F78Confident79.4Confident48 Ų4874.4 Ų74.421%0.21136%0.363CS..G310 helixtrans-54.2-36.8-173-174.7-111.4000114.1Y28 K32 N35 Q41 L45 L46Y28-F43 HydrophobicContact CD2-CE2 4.47Å; Y28-F43 HydrophobicContact CD2-CZ 4.43Å; Y28-F43 HydrophobicContact CE1-CZ 4.2Å; Y28-F43 HydrophobicContact CE2-CE1 4.3Å; Y28-F43 HydrophobicContact CE2-CE2 4.06Å; Y28-F43 AromaticContact CE2-CZ 3.62Å; Y28-F43 HydrophobicContact CE2-CZ 3.62Å; Y28-F43 AromaticContact CZ-CZ 3.49Å; Y28-F43 VanDerWaalsContact CZ-CZ 3.49Å; Y28-F43 WeakPolarHBondContact OH-CZ 3.4Å; K32-F43 HydrophobicContact CB-CE2 3.82Å; K32-F43 HydrophobicContact CB-CZ 4.09Å; K32-F43 HydrophobicContact CG-CE2 4.49Å; K32-F43 HydrophobicContact CG-CZ 4.34Å; N35-F43 HydrophobicContact CB-CB 4.24Å; N35-F43 HydrophobicContact CB-CD2 4.12Å; N35-F43 HydrophobicContact CB-CG 4.31Å; Q41-F43 VanDerWaalsContact C-N 3.26Å; Q41-F43 PolarHBondContact O-N 3.48Å; F43-L45 PolarHBondContact O-N 3Å; F43-L46 HydrophobicContact CD2-CD1 4.03Å; F43-L46 HydrophobicContact CE2-CD1 4.29Å; F43-L46 WeakPolarHBondContact O-CB 3.28Å; F43-L46 PolarHBondContact O-N 3.37Å
44Y79.8Confident79.4Confident181 Ų18174.9 Ų74.971%0.7137%0.366SS*.G310 helixtrans-63.1-10.517967.8-91.2000115.3K42K42-Y44 VanDerWaalsContact C-N 3.25Å; K42-Y44 PolarHBondContact O-N 3.26Å; K42-Y44 VanDerWaalsContact O-N 3.16Å
45L79.2Confident79.6Confident52 Ų5275.8 Ų75.827%0.27237%0.371SS..G310 helixtrans-85.3-7.3174.4-63.8-178.8000113.7K42 F43 Q57K42-L45 HydrophobicContact CB-CD1 4.07Å; K42-L45 HydrophobicContact CB-CG 4.46Å; K42-L45 HydrophobicContact CD-CD1 4.26Å; K42-L45 WeakPolarHBondContact O-CB 3.46Å; K42-L45 PolarHBondContact O-N 3.48Å; F43-L45 PolarHBondContact O-N 3Å; L45-Q57 PolarHBondContact O-NE2 3.27Å
46L83.8Confident79.8Confident12 Ų1273.4 Ų73.46%0.06336%0.358CS..  trans-94.7138.6179.7-52.8178000111Y28 F40 F43 N58 H61 L62Y28-L46 HydrophobicContact CD2-CB 3.84Å; Y28-L46 HydrophobicContact CE2-CB 4.38Å; F40-L46 HydrophobicContact CD1-CD1 4.17Å; F40-L46 HydrophobicContact CE1-CD1 3.61Å; F40-L46 HydrophobicContact CE1-CD2 4.22Å; F40-L46 HydrophobicContact CE1-CG 3.87Å; F40-L46 HydrophobicContact CZ-CD1 4.44Å; F40-L46 HydrophobicContact CZ-CD2 4.3Å; F40-L46 HydrophobicContact CZ-CG 4.4Å; F43-L46 HydrophobicContact CD2-CD1 4.03Å; F43-L46 HydrophobicContact CE2-CD1 4.29Å; F43-L46 WeakPolarHBondContact O-CB 3.28Å; F43-L46 PolarHBondContact O-N 3.37Å; L46-N58 VanDerWaalsContact CA-OD1 3.27Å; L46-N58 WeakPolarHBondContact CA-OD1 3.27Å; L46-N58 HydrophobicContact CD2-CB 4.13Å; L46-H61 HydrophobicContact CD2-CB 3.96Å; L46-L62 HydrophobicContact CD1-CD2 4.06Å; L46-L62 HydrophobicContact CD1-CG 4.47Å; L46-L62 HydrophobicContact CD2-CD1 4.47Å; L46-L62 HydrophobicContact CD2-CD2 4.49Å; L46-L62 HydrophobicContact CD2-CG 4.13Å
47K81.7Confident80.1Confident108 Ų10870.4 Ų70.447%0.4735%0.346SS..  trans-115.1123.3-178.9-70177.8176.5173.70111.1S49 N58K47-S49 PolarHBondContact O-N 2.66Å; K47-N58 PolarHBondContact N-OD1 3.24Å; K47-N58 PolarHBondContact O-ND2 3.27Å
48N84.5Confident80.8Confident97 Ų9767.1 Ų67.152%0.51933%0.333SS..  trans-80.763.6175.2-165.428.6000112.8N26 Y28N26-N48 WeakPolarHBondContact ND2-CA 3.42Å; N26-N48 PolarHBondContact ND2-OD1 3.27Å; N26-N48 VanDerWaalsContact ND2-OD1 3.11Å; Y28-N48 HydrophobicContact CD1-CB 3.65Å; Y28-N48 HydrophobicContact CD2-CB 3.95Å; Y28-N48 HydrophobicContact CE1-CB 3.8Å; Y28-N48 HydrophobicContact CE2-CB 4.1Å; Y28-N48 HydrophobicContact CG-CB 3.72Å
49S81.4Confident81.5Confident46 Ų4661.2 Ų61.232%0.32230%0.301SS..  trans-134.7137.4175.465.10000111.1N26 K47 S51 S54N26-S49 PolarHBondContact ND2-N 3.06Å; N26-S49 VanDerWaalsContact ND2-N 3.17Å; N26-S49 PolarHBondContact OD1-O 2.82Å; K47-S49 PolarHBondContact O-N 2.66Å; S49-S51 PolarHBondContact O-N 2.93Å; S49-S54 WeakPolarHBondContact OG-CB 3.36Å; S49-S54 PolarHBondContact OG-OG 3.16Å
50S78Confident82.3Confident104 Ų10456.8 Ų56.873%0.72728%0.284SS*.  trans-708.417854.20000115.5
51S82.7Confident82.7Confident31 Ų3159 Ų5922%0.21730%0.295CS..  trans-61.8130.4172.8173.70000110.4S49 E53 S54 I55 Q141S49-S51 PolarHBondContact O-N 2.93Å; S51-E53 PolarHBondContact O-N 2.9Å; S51-E53 VanDerWaalsContact O-N 3.14Å; S51-S54 WeakPolarHBondContact O-CB 3.35Å; S51-S54 PolarHBondContact O-N 3.2Å; S51-I55 WeakPolarHBondContact O-CG1 3.41Å; S51-I55 PolarHBondContact O-N 3.33Å; S51-Q141 PolarHBondContact OG-OE1 2.71Å
52P83.1Confident83.4Confident14 Ų1451.1 Ų51.19%0.09126%0.258CS..Hα-helixtrans-54.9-32.1177.920.5-34.4000113.9I55 V56 I138 Q141 V144P52-I55 PolarHBondContact O-N 2.65Å; P52-V56 WeakPolarHBondContact O-CB 3.26Å; P52-V56 VanDerWaalsContact O-CG2 3.28Å; P52-V56 WeakPolarHBondContact O-CG2 3.25Å; P52-V56 PolarHBondContact O-N 2.95Å; P52-I138 HydrophobicContact CB-CG2 3.38Å; P52-Q141 HydrophobicContact CG-CB 4.22Å; P52-V144 HydrophobicContact CG-CG2 4.48Å
53E84.2Confident83.7Confident91 Ų9146 Ų4643%0.42524%0.235SC..Hα-helixtrans-70.6-37.7176.8-169.161.8-159.700112.2S51 Q57 K135S51-E53 PolarHBondContact O-N 2.9Å; S51-E53 VanDerWaalsContact O-N 3.14Å; E53-Q57 WeakPolarHBondContact O-CB 3.49Å; E53-Q57 PolarHBondContact O-N 3.48Å; E53-K135 IonicContact OE1-NZ 2.67Å; E53-K135 PolarHBondContact OE1-NZ 3.33Å; E53-K135 IonicContact OE2-NZ 3.94Å; E53-K135 PolarHBondContact OE2-NZ 3.28Å
54S84.8Confident83.9Confident11 Ų1145.8 Ų45.88%0.07724%0.239CC..Hα-helixtrans-67.6-40.1173-690000111.8S49 S51 Q57 N58S49-S54 WeakPolarHBondContact OG-CB 3.36Å; S49-S54 PolarHBondContact OG-OG 3.16Å; S51-S54 WeakPolarHBondContact O-CB 3.35Å; S51-S54 PolarHBondContact O-N 3.2Å; S54-Q57 PolarHBondContact O-N 2.86Å; S54-N58 WeakPolarHBondContact O-CB 3.49Å; S54-N58 PolarHBondContact O-N 3.07Å; S54-N58 PolarHBondContact O-ND2 2.96Å; S54-N58 PolarHBondContact O-OD1 2.96Å
55I85.8Confident83.9Confident19 Ų1937.5 Ų37.510%0.09721%0.208CC..Hα-helixtrans-61.3-49.2175.7-65.7170.1000110.1N26 S51 P52 Q57 N58 F59 I82 I138N26-I55 WeakPolarHBondContact OD1-CG1 3.48Å; S51-I55 WeakPolarHBondContact O-CG1 3.41Å; S51-I55 PolarHBondContact O-N 3.33Å; P52-I55 PolarHBondContact O-N 2.65Å; I55-Q57 VanDerWaalsContact C-N 3.33Å; I55-Q57 PolarHBondContact O-N 3.46Å; I55-N58 PolarHBondContact O-N 3.06Å; I55-F59 HydrophobicContact CG2-CD2 3.89Å; I55-F59 HydrophobicContact CG2-CE2 4.06Å; I55-F59 WeakPolarHBondContact O-CD2 3.34Å; I55-F59 PolarHBondContact O-N 3.33Å; I55-I82 HydrophobicContact CG2-CD1 3.45Å; I55-I82 VanDerWaalsContact CG2-CD1 3.45Å; I55-I82 HydrophobicContact CG2-CG1 3.67Å; I55-I82 HydrophobicContact CG2-CG2 4.32Å; I55-I138 HydrophobicContact CG2-CD1 4.33Å
56V87Confident84Confident3 Ų335 Ų352%0.01820%0.195CC..Hα-helixtrans-57-45.5173.3167.30000111.2P52 S60 K131 L134 K135 I138P52-V56 WeakPolarHBondContact O-CB 3.26Å; P52-V56 VanDerWaalsContact O-CG2 3.28Å; P52-V56 WeakPolarHBondContact O-CG2 3.25Å; P52-V56 PolarHBondContact O-N 2.95Å; V56-S60 VanDerWaalsContact O-CB 3.25Å; V56-S60 WeakPolarHBondContact O-CB 3.21Å; V56-S60 PolarHBondContact O-N 3Å; V56-S60 PolarHBondContact O-OG 3.07Å; V56-K131 HydrophobicContact CG1-CG 3.85Å; V56-L134 HydrophobicContact CG2-CD2 4.41Å; V56-L134 HydrophobicContact CG2-CG 4.23Å; V56-K135 HydrophobicContact CG1-CD 4.47Å; V56-K135 HydrophobicContact CG1-CG 3.85Å; V56-K135 HydrophobicContact CG2-CG 4.07Å; V56-I138 HydrophobicContact CG2-CD1 3.75Å
57Q86.1Confident83.9Confident46 Ų4636.6 Ų36.622%0.21520%0.202CC..Hα-helixtrans-59.2-50.3177.6176.2171.6-20.200110.9L45 E53 S54 I55 S60 H61L45-Q57 PolarHBondContact O-NE2 3.27Å; E53-Q57 WeakPolarHBondContact O-CB 3.49Å; E53-Q57 PolarHBondContact O-N 3.48Å; S54-Q57 PolarHBondContact O-N 2.86Å; I55-Q57 VanDerWaalsContact C-N 3.33Å; I55-Q57 PolarHBondContact O-N 3.46Å; Q57-S60 PolarHBondContact O-N 2.92Å; Q57-S60 PolarHBondContact O-OG 3.1Å; Q57-H61 PolarHBondContact O-CD2 3.48Å; Q57-H61 VanDerWaalsContact O-CD2 3.27Å; Q57-H61 PolarHBondContact O-N 3.46Å
58N89.6Confident83.6Confident0 Ų039.2 Ų39.20%022%0.216CC..Hα-helixtrans-57.6-54.4-178.8-68.1-14000111.3N26 L46 K47 S54 I55 S60 H61 L62N26-N58 WeakPolarHBondContact O-CB 3.25Å; N26-N58 PolarHBondContact O-ND2 3.16Å; N26-N58 PolarHBondContact OD1-ND2 2.79Å; N26-N58 VanDerWaalsContact OD1-ND2 3.16Å; L46-N58 VanDerWaalsContact CA-OD1 3.27Å; L46-N58 WeakPolarHBondContact CA-OD1 3.27Å; L46-N58 HydrophobicContact CD2-CB 4.13Å; K47-N58 PolarHBondContact N-OD1 3.24Å; K47-N58 PolarHBondContact O-ND2 3.27Å; S54-N58 WeakPolarHBondContact O-CB 3.49Å; S54-N58 PolarHBondContact O-N 3.07Å; S54-N58 PolarHBondContact O-ND2 2.96Å; S54-N58 PolarHBondContact O-OD1 2.96Å; I55-N58 PolarHBondContact O-N 3.06Å; N58-S60 VanDerWaalsContact C-N 3.28Å; N58-S60 PolarHBondContact O-N 3.15Å; N58-H61 PolarHBondContact O-N 2.96Å; N58-H61 VanDerWaalsContact O-N 3.15Å; N58-L62 WeakPolarHBondContact O-CD1 3.48Å; N58-L62 VanDerWaalsContact O-CG 3.27Å; N58-L62 WeakPolarHBondContact O-CG 3.45Å; N58-L62 PolarHBondContact O-N 3.47Å
59F88Confident83Confident4 Ų435.9 Ų35.92%0.01820%0.197CC..Hα-helixtrans-65.9-27.6178.9-81.2-73.2000113.5A25 I55 R63 I81 I82 Y130 L134A25-F59 WeakPolarHBondContact O-CE2 3.48Å; I55-F59 HydrophobicContact CG2-CD2 3.89Å; I55-F59 HydrophobicContact CG2-CE2 4.06Å; I55-F59 WeakPolarHBondContact O-CD2 3.34Å; I55-F59 PolarHBondContact O-N 3.33Å; F59-R63 PolarHBondContact O-N 3.22Å; F59-I81 HydrophobicContact CZ-CG2 3.92Å; F59-I82 HydrophobicContact CD2-CD1 3.83Å; F59-I82 HydrophobicContact CD2-CG1 4.19Å; F59-I82 HydrophobicContact CE2-CD1 3.8Å; F59-I82 HydrophobicContact CE2-CG1 3.62Å; F59-I82 HydrophobicContact CZ-CG1 4.31Å; F59-Y130 PolarHBondContact O-OH 2.94Å; F59-L134 HydrophobicContact CB-CD2 3.81Å
60S86.3Confident82.7Confident21 Ų2136.7 Ų36.715%0.14721%0.213CC..Hα-helixtrans-72.3-29173.473.80000113.7V56 Q57 N58 P64V56-S60 VanDerWaalsContact O-CB 3.25Å; V56-S60 WeakPolarHBondContact O-CB 3.21Å; V56-S60 PolarHBondContact O-N 3Å; V56-S60 PolarHBondContact O-OG 3.07Å; Q57-S60 PolarHBondContact O-N 2.92Å; Q57-S60 PolarHBondContact O-OG 3.1Å; N58-S60 VanDerWaalsContact C-N 3.28Å; N58-S60 PolarHBondContact O-N 3.15Å; S60-P64 WeakPolarHBondContact O-CD 3.28Å
61H84.4Confident82.7Confident59 Ų5932 Ų3227%0.27318%0.18SC..Hα-helixtrans-83.2-29.9174.7-70.9-49.6000113.1F40 L46 Q57 N58F40-H61 WeakPolarHBondContact CE2-O 3.2Å; F40-H61 HydrophobicContact CZ-CB 4.22Å; L46-H61 HydrophobicContact CD2-CB 3.96Å; Q57-H61 PolarHBondContact O-CD2 3.48Å; Q57-H61 VanDerWaalsContact O-CD2 3.27Å; Q57-H61 PolarHBondContact O-N 3.46Å; N58-H61 PolarHBondContact O-N 2.96Å; N58-H61 VanDerWaalsContact O-N 3.15Å
62L85.4Confident82.4Confident1 Ų136 Ų361%0.00520%0.199CC..Hα-helixtrans-78.9-33.1-178.9-69.9165.1000113.5G27 L30 G31 L34 F40 L46 N58 A65 L66G27-L62 VanDerWaalsContact O-CD1 3.28Å; G27-L62 WeakPolarHBondContact O-CD1 3.27Å; L30-L62 HydrophobicContact CB-CD1 4.47Å; G31-L62 VanDerWaalsContact CA-CD2 3.49Å; L34-L62 HydrophobicContact CD1-CD2 4.24Å; F40-L62 HydrophobicContact CD1-CD2 4.31Å; F40-L62 HydrophobicContact CD2-CD2 4.49Å; F40-L62 HydrophobicContact CE1-CD2 4.33Å; F40-L62 HydrophobicContact CE2-CD2 4.5Å; F40-L62 HydrophobicContact CG-CD2 4.4Å; F40-L62 HydrophobicContact CZ-CD2 4.42Å; L46-L62 HydrophobicContact CD1-CD2 4.06Å; L46-L62 HydrophobicContact CD1-CG 4.47Å; L46-L62 HydrophobicContact CD2-CD1 4.47Å; L46-L62 HydrophobicContact CD2-CD2 4.49Å; L46-L62 HydrophobicContact CD2-CG 4.13Å; N58-L62 WeakPolarHBondContact O-CD1 3.48Å; N58-L62 VanDerWaalsContact O-CG 3.27Å; N58-L62 WeakPolarHBondContact O-CG 3.45Å; N58-L62 PolarHBondContact O-N 3.47Å; L62-A65 PolarHBondContact O-N 3.42Å; L62-L66 HydrophobicContact CB-CD1 4.12Å; L62-L66 PolarHBondContact O-N 3.37Å; L62-L66 VanDerWaalsContact O-N 3.1Å
63R84.6Confident82.3Confident17 Ų1735.4 Ų35.46%0.06420%0.195CC..Hα-helixtrans-54.9-46.7-176.3-178.4176.6-165.1-117.69.8114F59 A65 L66 Q67 I73 D74 Q126 N127 Y130F59-R63 PolarHBondContact O-N 3.22Å; R63-A65 PolarHBondContact O-N 3.24Å; R63-L66 PolarHBondContact O-N 2.99Å; R63-Q67 HydrophobicContact CG-CG 4.32Å; R63-Q67 WeakPolarHBondContact O-CG 3.29Å; R63-Q67 PolarHBondContact O-N 3.45Å; R63-I73 PolarHBondContact NE-O 2.96Å; R63-I73 PolarHBondContact NH2-O 3.32Å; R63-D74 IonicContact NH2-OD1 3.65Å; R63-Q126 PolarHBondContact NH1-O 3.04Å; R63-N127 WeakPolarHBondContact CD-OD1 3.46Å; R63-N127 PolarHBondContact NH1-OD1 2.96Å; R63-Y130 HydrophobicContact CB-CE1 4.14Å; R63-Y130 HydrophobicContact CG-CE1 4.5Å
64P81Confident82.3Confident44 Ų4435.7 Ų35.729%0.28620%0.199SC..Hα-helixtrans-57.8-45.7177.9-25.635.3000113.3S60 L66 Q67 E68S60-P64 WeakPolarHBondContact O-CD 3.28Å; P64-L66 VanDerWaalsContact C-N 3.33Å; P64-L66 PolarHBondContact O-N 2.88Å; P64-Q67 PolarHBondContact O-N 3.31Å; P64-E68 WeakPolarHBondContact O-CG 3.4Å; P64-E68 PolarHBondContact O-N 3Å
65A80.4Confident82.3Confident7 Ų735.3 Ų35.36%0.05820%0.197CC..Hα-helixtrans-69.2-30.5-178.800000113F40 L62 R63 M69F40-A65 HydrophobicContact CD2-CB 3.66Å; F40-A65 HydrophobicContact CE2-CB 4.37Å; L62-A65 PolarHBondContact O-N 3.42Å; R63-A65 PolarHBondContact O-N 3.24Å; A65-M69 WeakPolarHBondContact O-CG 3.36Å; A65-M69 PolarHBondContact O-N 2.96Å
66L81Confident82.4Confident1 Ų140.6 Ų40.61%0.00522%0.221CC..Hα-helixtrans-75-35.5173.8-75.4154.7000111.4L30 L34 L62 R63 P64 M69 G70 I71 I73 I96L30-L66 HydrophobicContact CD2-CD1 3.74Å; L34-L66 HydrophobicContact CD1-CD1 4.03Å; L34-L66 HydrophobicContact CD1-CD2 3.87Å; L34-L66 HydrophobicContact CD1-CG 3.8Å; L34-L66 HydrophobicContact CD2-CD2 4.31Å; L62-L66 HydrophobicContact CB-CD1 4.12Å; L62-L66 PolarHBondContact O-N 3.37Å; L62-L66 VanDerWaalsContact O-N 3.1Å; R63-L66 PolarHBondContact O-N 2.99Å; P64-L66 VanDerWaalsContact C-N 3.33Å; P64-L66 PolarHBondContact O-N 2.88Å; L66-M69 CarbonylContact O-C 3.52Å; L66-M69 WeakPolarHBondContact O-CA 3.21Å; L66-M69 WeakPolarHBondContact O-CB 3.38Å; L66-M69 PolarHBondContact O-N 3.39Å; L66-M69 VanDerWaalsContact O-N 3.16Å; L66-G70 PolarHBondContact O-N 2.91Å; L66-I71 CarbonylContact C-O 3.26Å; L66-I71 VanDerWaalsContact C-O 3.26Å; L66-I71 HydrophobicContact CB-CB 4.47Å; L66-I71 HydrophobicContact CD2-CD1 4.06Å; L66-I71 WeakPolarHBondContact O-CA 3.24Å; L66-I71 WeakPolarHBondContact O-CB 3.26Å; L66-I71 PolarHBondContact O-N 3.44Å; L66-I73 HydrophobicContact CB-CD1 3.8Å; L66-I73 HydrophobicContact CD1-CD1 3.46Å; L66-I73 VanDerWaalsContact CD1-CD1 3.46Å; L66-I73 HydrophobicContact CD2-CD1 4.47Å; L66-I73 HydrophobicContact CG-CD1 4.07Å; L66-I96 HydrophobicContact CD2-CD1 3.77Å; L66-I96 HydrophobicContact CD2-CG1 4.06Å
67Q81.6Confident82.3Confident45 Ų4542.6 Ų42.621%0.2123%0.231CC..Hα-helixtrans-67-36.5169.8-69.6-172.4-70.100112.6R63 P64 M69 G70 I71 N72R63-Q67 HydrophobicContact CG-CG 4.32Å; R63-Q67 WeakPolarHBondContact O-CG 3.29Å; R63-Q67 PolarHBondContact O-N 3.45Å; P64-Q67 PolarHBondContact O-N 3.31Å; Q67-M69 PolarHBondContact O-N 2.87Å; Q67-G70 WeakPolarHBondContact O-CA 3.37Å; Q67-G70 PolarHBondContact O-N 2.84Å; Q67-I71 PolarHBondContact N-O 2.85Å; Q67-N72 PolarHBondContact NE2-OD1 2.81Å; Q67-N72 VanDerWaalsContact NE2-OD1 3.08Å
68E76.3Confident82.4Confident162 Ų16240.4 Ų40.476%0.75722%0.221SC*.Hα-helixtrans-63.4-24.6170.6-74.9168.4-164.600112.5P64 G70P64-E68 WeakPolarHBondContact O-CG 3.4Å; P64-E68 PolarHBondContact O-N 3Å; E68-G70 VanDerWaalsContact C-N 3.33Å
69M71Confident82.3Confident27 Ų2742.2 Ų42.213%0.13323%0.23CC..THydrogen-bonded Turntrans-864169.1-71.6176.354.400114.1L34 K39 A65 L66 Q67 I71 I96 I99L34-M69 HydrophobicContact CD2-CE 4.02Å; L34-M69 HydrophobicContact CD2-SD 3.58Å; L34-M69 VanDerWaalsContact CD2-SD 3.58Å; K39-M69 HydrophobicContact CB-SD 3.9Å; K39-M69 HydrophobicContact CG-SD 3.96Å; A65-M69 WeakPolarHBondContact O-CG 3.36Å; A65-M69 PolarHBondContact O-N 2.96Å; L66-M69 CarbonylContact O-C 3.52Å; L66-M69 WeakPolarHBondContact O-CA 3.21Å; L66-M69 WeakPolarHBondContact O-CB 3.38Å; L66-M69 PolarHBondContact O-N 3.39Å; L66-M69 VanDerWaalsContact O-N 3.16Å; Q67-M69 PolarHBondContact O-N 2.87Å; M69-I71 VanDerWaalsContact C-N 3.34Å; M69-I96 HydrophobicContact CE-CG2 4.27Å; M69-I99 HydrophobicContact CE-CG2 3.92Å
70G74.7Confident82.3Confident63 Ų6344 Ų4465%0.64924%0.239SC*.THydrogen-bonded Turntrans80.77.6-177.400000115.1L66 Q67 E68L66-G70 PolarHBondContact O-N 2.91Å; Q67-G70 WeakPolarHBondContact O-CA 3.37Å; Q67-G70 PolarHBondContact O-N 2.84Å; E68-G70 VanDerWaalsContact C-N 3.33Å
71I77.7Confident82.3Confident6 Ų643.2 Ų43.23%0.03123%0.233CC..  trans-97.8103.2179.5-51.1-179.8000109.6L66 Q67 M69 I73 L92 Q95 I96 I99L66-I71 CarbonylContact C-O 3.26Å; L66-I71 VanDerWaalsContact C-O 3.26Å; L66-I71 HydrophobicContact CB-CB 4.47Å; L66-I71 HydrophobicContact CD2-CD1 4.06Å; L66-I71 WeakPolarHBondContact O-CA 3.24Å; L66-I71 WeakPolarHBondContact O-CB 3.26Å; L66-I71 PolarHBondContact O-N 3.44Å; Q67-I71 PolarHBondContact N-O 2.85Å; M69-I71 VanDerWaalsContact C-N 3.34Å; I71-I73 HydrophobicContact CG2-CD1 4.49Å; I71-I73 HydrophobicContact CG2-CG1 4.1Å; I71-I73 PolarHBondContact O-N 2.84Å; I71-L92 HydrophobicContact CG2-CD1 3.63Å; I71-Q95 HydrophobicContact CD1-CB 4.15Å; I71-I96 HydrophobicContact CD1-CB 4.42Å; I71-I96 HydrophobicContact CD1-CD1 4.48Å; I71-I96 HydrophobicContact CD1-CG1 3.42Å; I71-I96 VanDerWaalsContact CD1-CG1 3.42Å; I71-I99 HydrophobicContact CD1-CD1 3.78Å; I71-I99 HydrophobicContact CG1-CD1 3.6Å
72N78.2Confident82.3Confident115 Ų11541.8 Ų41.862%0.61523%0.228SC*.  trans-75.5122.6172.6-80.3-40.6000110.9Q67Q67-N72 PolarHBondContact NE2-OD1 2.81Å; Q67-N72 VanDerWaalsContact NE2-OD1 3.08Å
73I80.4Confident82.3Confident2 Ų246.4 Ų46.41%0.0125%0.251CS..  trans-116.5120.5177.5-60.1-179.3000109R63 L66 I71 S78 L92R63-I73 PolarHBondContact NE-O 2.96Å; R63-I73 PolarHBondContact NH2-O 3.32Å; L66-I73 HydrophobicContact CB-CD1 3.8Å; L66-I73 HydrophobicContact CD1-CD1 3.46Å; L66-I73 VanDerWaalsContact CD1-CD1 3.46Å; L66-I73 HydrophobicContact CD2-CD1 4.47Å; L66-I73 HydrophobicContact CG-CD1 4.07Å; I71-I73 HydrophobicContact CG2-CD1 4.49Å; I71-I73 HydrophobicContact CG2-CG1 4.1Å; I71-I73 PolarHBondContact O-N 2.84Å; I73-S78 WeakPolarHBondContact CG2-OG 3.37Å; I73-L92 HydrophobicContact CD1-CD1 3.89Å; I73-L92 HydrophobicContact CD1-CD2 4.11Å; I73-L92 HydrophobicContact CG1-CD1 4.28Å
74D84.3Confident82.2Confident96 Ų9649.5 Ų49.551%0.51327%0.266SS..  trans-98.1157.1176.1-68.7-35.4000111.7R63 H76 L77 S78R63-D74 IonicContact NH2-OD1 3.65Å; D74-H76 PolarHBondContact O-N 3.47Å; D74-H76 VanDerWaalsContact O-N 3.1Å; D74-L77 PolarHBondContact O-N 2.93Å; D74-S78 PolarHBondContact O-N 3.44Å; D74-S78 PolarHBondContact O-OG 3.05Å
75A85.4Confident82.4Confident4 Ų451.9 Ų51.93%0.03327%0.272CS..Hα-helixtrans-57.4-30.8-176.400000112.8H79 Y130 Q133 L137A75-H79 VanDerWaalsContact O-CB 3.29Å; A75-H79 WeakPolarHBondContact O-CB 3.41Å; A75-H79 PolarHBondContact O-N 3.02Å; A75-Y130 HydrophobicContact CB-CD2 3.93Å; A75-Y130 HydrophobicContact CB-CE2 4.29Å; A75-Q133 HydrophobicContact CB-CB 3.87Å; A75-L137 HydrophobicContact CB-CD1 4.32Å
76H87Confident82.3Confident129 Ų12956.7 Ų56.760%0.59730%0.303SS*.Hα-helixtrans-70.8-39.3174.3-66-67.2000113.3D74 H79 D80D74-H76 PolarHBondContact O-N 3.47Å; D74-H76 VanDerWaalsContact O-N 3.1Å; H76-H79 PolarHBondContact O-N 3.15Å; H76-D80 WeakPolarHBondContact O-CB 3.26Å; H76-D80 PolarHBondContact O-N 2.95Å
77L85.7Confident82.4Confident45 Ų4558 Ų5824%0.23632%0.317CS..Hα-helixtrans-67.8-38.7176.3-176.864.5000110.8D74 I81D74-L77 PolarHBondContact O-N 2.93Å; L77-I81 HydrophobicContact CG-CD1 4.45Å; L77-I81 WeakPolarHBondContact O-CG1 3.2Å; L77-I81 PolarHBondContact O-N 3.48Å; L77-I81 VanDerWaalsContact O-N 3.1Å
78S87.7Confident82.6Confident0 Ų056.5 Ų56.50%031%0.311CS..Hα-helixtrans-64-42.3170.8-560000112I73 D74 I81 I82 Y130I73-S78 WeakPolarHBondContact CG2-OG 3.37Å; D74-S78 PolarHBondContact O-N 3.44Å; D74-S78 PolarHBondContact O-OG 3.05Å; S78-I81 PolarHBondContact O-N 3.27Å; S78-I82 WeakPolarHBondContact O-CB 3.43Å; S78-I82 VanDerWaalsContact O-CD1 3.29Å; S78-I82 WeakPolarHBondContact O-CD1 3.38Å; S78-I82 WeakPolarHBondContact O-CG1 3.48Å; S78-I82 PolarHBondContact O-N 3.45Å; S78-Y130 PolarHBondContact OG-OH 3.17Å
79H87.8Confident83Confident39 Ų3949 Ų4918%0.18128%0.276CS..Hα-helixtrans-64.2-41.5177.4-171.234.5000112.3A75 H76 I81 I82 I83 L137A75-H79 VanDerWaalsContact O-CB 3.29Å; A75-H79 WeakPolarHBondContact O-CB 3.41Å; A75-H79 PolarHBondContact O-N 3.02Å; H76-H79 PolarHBondContact O-N 3.15Å; H79-I81 VanDerWaalsContact C-N 3.32Å; H79-I81 PolarHBondContact O-N 2.91Å; H79-I82 CarbonylContact O-C 3.55Å; H79-I82 PolarHBondContact O-N 3.15Å; H79-I82 VanDerWaalsContact O-N 3.1Å; H79-I83 VanDerWaalsContact CE1-CD1 3.49Å; H79-I83 WeakPolarHBondContact CE1-CD1 3.48Å; H79-I83 WeakPolarHBondContact O-CD1 3.33Å; H79-I83 VanDerWaalsContact O-CG1 3.29Å; H79-I83 WeakPolarHBondContact O-CG1 3.41Å; H79-I83 PolarHBondContact O-N 3.27Å; H79-L137 HydrophobicContact CB-CD1 4.03Å; H79-L137 PolarHBondContact CE1-O 3.34Å; H79-L137 VanDerWaalsContact CE1-O 3.25Å; H79-L137 PolarHBondContact NE2-O 2.75Å
80D86.7Confident83.5Confident42 Ų4249.9 Ų49.923%0.22528%0.28CS..Hα-helixtrans-57-43.6172.3-85.9-14000111.7H76 I83 K85H76-D80 WeakPolarHBondContact O-CB 3.26Å; H76-D80 PolarHBondContact O-N 2.95Å; D80-I83 PolarHBondContact O-N 3.12Å; D80-K85 HydrophobicContact CB-CB 4.38Å; D80-K85 HydrophobicContact CB-CD 3.77Å; D80-K85 WeakPolarHBondContact O-CB 3.36Å; D80-K85 PolarHBondContact O-N 2.79Å; D80-K85 WeakPolarHBondContact OD1-CD 3.46Å; D80-K85 IonicContact OD1-NZ 2.77Å; D80-K85 PolarHBondContact OD1-NZ 3.43Å; D80-K85 IonicContact OD2-NZ 3.58Å; D80-K85 PolarHBondContact OD2-NZ 2.85Å
81I86.2Confident83.9Confident3 Ų352.6 Ų52.62%0.01528%0.276CS..Hα-helixtrans-64.4-38.9174.3-68.8164.9000111.4F59 L77 S78 H79 E84 I89 L92F59-I81 HydrophobicContact CZ-CG2 3.92Å; L77-I81 HydrophobicContact CG-CD1 4.45Å; L77-I81 WeakPolarHBondContact O-CG1 3.2Å; L77-I81 PolarHBondContact O-N 3.48Å; L77-I81 VanDerWaalsContact O-N 3.1Å; S78-I81 PolarHBondContact O-N 3.27Å; H79-I81 VanDerWaalsContact C-N 3.32Å; H79-I81 PolarHBondContact O-N 2.91Å; I81-E84 PolarHBondContact O-N 3.36Å; I81-E84 VanDerWaalsContact O-N 3.17Å; I81-I89 HydrophobicContact CD1-CD1 4.15Å; I81-I89 HydrophobicContact CG1-CB 4.3Å; I81-I89 HydrophobicContact CG1-CD1 4.39Å; I81-I89 HydrophobicContact CG2-CD1 4.15Å; I81-L92 HydrophobicContact CD1-CD2 3.64Å
82I85.6Confident84.3Confident30 Ų3052.4 Ų52.415%0.15428%0.275CS..Hα-helixtrans-71.3-27.6179.4-67.9160.5000112.5A25 I55 F59 S78 H79 E84 L134 I138A25-I82 WeakPolarHBondContact O-CG1 3.32Å; I55-I82 HydrophobicContact CG2-CD1 3.45Å; I55-I82 VanDerWaalsContact CG2-CD1 3.45Å; I55-I82 HydrophobicContact CG2-CG1 3.67Å; I55-I82 HydrophobicContact CG2-CG2 4.32Å; F59-I82 HydrophobicContact CD2-CD1 3.83Å; F59-I82 HydrophobicContact CD2-CG1 4.19Å; F59-I82 HydrophobicContact CE2-CD1 3.8Å; F59-I82 HydrophobicContact CE2-CG1 3.62Å; F59-I82 HydrophobicContact CZ-CG1 4.31Å; S78-I82 WeakPolarHBondContact O-CB 3.43Å; S78-I82 VanDerWaalsContact O-CD1 3.29Å; S78-I82 WeakPolarHBondContact O-CD1 3.38Å; S78-I82 WeakPolarHBondContact O-CG1 3.48Å; S78-I82 PolarHBondContact O-N 3.45Å; H79-I82 CarbonylContact O-C 3.55Å; H79-I82 PolarHBondContact O-N 3.15Å; H79-I82 VanDerWaalsContact O-N 3.1Å; I82-E84 PolarHBondContact O-N 3.21Å; I82-L134 HydrophobicContact CD1-CD1 4.06Å; I82-I138 HydrophobicContact CD1-CD1 3.71Å; I82-I138 HydrophobicContact CD1-CG1 4.5Å
83I84.1Confident84.6Confident98 Ų9847 Ų4750%0.50325%0.246SC..THydrogen-bonded Turntrans-792.3173-63.4158.5000111.6H79 D80 K85H79-I83 VanDerWaalsContact CE1-CD1 3.49Å; H79-I83 WeakPolarHBondContact CE1-CD1 3.48Å; H79-I83 WeakPolarHBondContact O-CD1 3.33Å; H79-I83 VanDerWaalsContact O-CG1 3.29Å; H79-I83 WeakPolarHBondContact O-CG1 3.41Å; H79-I83 PolarHBondContact O-N 3.27Å; D80-I83 PolarHBondContact O-N 3.12Å; I83-K85 PolarHBondContact O-N 3.32Å
84E84.1Confident84.8Confident82 Ų8251.6 Ų51.638%0.38326%0.264SS..THydrogen-bonded Turntrans59.325.9-173.1-53.9-178-164.200112.6E21 K22 A25 I81 I82E21-E84 HydrophobicContact CB-CB 4.32Å; K22-E84 HydrophobicContact CB-CG 4.48Å; K22-E84 WeakPolarHBondContact CG-OE1 3.27Å; A25-E84 HydrophobicContact CB-CG 4.12Å; I81-E84 PolarHBondContact O-N 3.36Å; I81-E84 VanDerWaalsContact O-N 3.17Å; I82-E84 PolarHBondContact O-N 3.21Å
85K84.9Confident84.7Confident93 Ų9350.7 Ų50.740%0.40426%0.256SS..  trans-64117.7-174.8-176.5-173.1-177.3-179.70110.6D80 I83 S88D80-K85 HydrophobicContact CB-CB 4.38Å; D80-K85 HydrophobicContact CB-CD 3.77Å; D80-K85 WeakPolarHBondContact O-CB 3.36Å; D80-K85 PolarHBondContact O-N 2.79Å; D80-K85 WeakPolarHBondContact OD1-CD 3.46Å; D80-K85 IonicContact OD1-NZ 2.77Å; D80-K85 PolarHBondContact OD1-NZ 3.43Å; D80-K85 IonicContact OD2-NZ 3.58Å; D80-K85 PolarHBondContact OD2-NZ 2.85Å; I83-K85 PolarHBondContact O-N 3.32Å; K85-S88 WeakPolarHBondContact CB-OG 3.42Å; K85-S88 WeakPolarHBondContact O-CB 3.43Å; K85-S88 PolarHBondContact O-N 3.38Å; K85-S88 PolarHBondContact O-OG 3.19Å
86P78.6Confident84.6Confident109 Ų10950.5 Ų50.571%0.70826%0.255SS*.THydrogen-bonded Turntrans-61.5142.6-169.123.5-34.1000112.2S88P86-S88 VanDerWaalsContact C-N 3.25Å; P86-S88 PolarHBondContact O-N 3.05Å
87G82Confident84.4Confident29 Ų2947.7 Ų47.730%0.29924%0.239SC..THydrogen-bonded Turntrans84.3-30.9-177.300000115I89 Q90 Q91G87-I89 PolarHBondContact O-N 2.79Å; G87-Q90 WeakPolarHBondContact O-CB 3.39Å; G87-Q90 PolarHBondContact O-N 3.05Å; G87-Q91 PolarHBondContact O-N 3.25Å
88S86.2Confident84.2Confident12 Ų1249 Ų498%0.08425%0.249CC..Hα-helixtrans-59.2-46.7-175.3-36.30000112.5K85 P86 L92K85-S88 WeakPolarHBondContact CB-OG 3.42Å; K85-S88 WeakPolarHBondContact O-CB 3.43Å; K85-S88 PolarHBondContact O-N 3.38Å; K85-S88 PolarHBondContact O-OG 3.19Å; P86-S88 VanDerWaalsContact C-N 3.25Å; P86-S88 PolarHBondContact O-N 3.05Å; S88-L92 PolarHBondContact O-N 3.06Å
89I84.1Confident83.6Confident4 Ų452.5 Ų52.52%0.02127%0.267CS..Hα-helixtrans-71.7-32.7174.3-17261.7000112.3V20 E21 F24 I81 G87 Q91 L92 L93V20-I89 HydrophobicContact CG1-CG1 4.43Å; V20-I89 HydrophobicContact CG1-CG2 4.18Å; E21-I89 HydrophobicContact CG-CG2 4.13Å; F24-I89 HydrophobicContact CB-CD1 3.69Å; F24-I89 HydrophobicContact CB-CG1 3.62Å; F24-I89 HydrophobicContact CD1-CD1 3.99Å; F24-I89 HydrophobicContact CD1-CG1 4.3Å; F24-I89 HydrophobicContact CG-CD1 4.1Å; F24-I89 HydrophobicContact CG-CG1 4.01Å; I81-I89 HydrophobicContact CD1-CD1 4.15Å; I81-I89 HydrophobicContact CG1-CB 4.3Å; I81-I89 HydrophobicContact CG1-CD1 4.39Å; I81-I89 HydrophobicContact CG2-CD1 4.15Å; G87-I89 PolarHBondContact O-N 2.79Å; I89-Q91 VanDerWaalsContact C-N 3.3Å; I89-Q91 PolarHBondContact O-N 3.42Å; I89-L92 HydrophobicContact CD1-CD2 4.22Å; I89-L92 PolarHBondContact O-N 2.87Å; I89-L93 HydrophobicContact CD1-CD1 4.42Å; I89-L93 HydrophobicContact CD1-CG 4.26Å; I89-L93 HydrophobicContact CG1-CD1 3.78Å; I89-L93 HydrophobicContact CG1-CG 4.1Å; I89-L93 WeakPolarHBondContact O-CB 3.27Å; I89-L93 WeakPolarHBondContact O-CG 3.29Å; I89-L93 PolarHBondContact O-N 3.02Å
90Q82.5Confident82.8Confident46 Ų4652.2 Ų52.222%0.21527%0.267CS..Hα-helixtrans-66-36.5-179.6-55.1-178.122.300110.9S2 Y6 E21 G87 Y94S2-Q90 VanDerWaalsContact CB-OE1 3.3Å; Y6-Q90 PolarHBondContact OH-NE2 3.21Å; Y6-Q90 VanDerWaalsContact OH-NE2 3.1Å; E21-Q90 PolarHBondContact OE1-NE2 2.89Å; G87-Q90 WeakPolarHBondContact O-CB 3.39Å; G87-Q90 PolarHBondContact O-N 3.05Å; Q90-Y94 VanDerWaalsContact O-CB 3.29Å; Q90-Y94 WeakPolarHBondContact O-CB 3.29Å; Q90-Y94 PolarHBondContact O-N 3.28Å
91Q83.6Confident81.9Confident120 Ų12053.1 Ų53.156%0.56128%0.277SS*.Hα-helixtrans-65.2-43.8173.3-174.7176.11.900111.9G87 I89 Y94 Q95G87-Q91 PolarHBondContact O-N 3.25Å; I89-Q91 VanDerWaalsContact C-N 3.3Å; I89-Q91 PolarHBondContact O-N 3.42Å; Q91-Y94 PolarHBondContact O-N 2.91Å; Q91-Q95 WeakPolarHBondContact O-CG 3.15Å; Q91-Q95 PolarHBondContact O-N 2.86Å
92L85.2Confident80.6Confident2 Ų256 Ų561%0.0131%0.306CS..Hα-helixtrans-65.5-45176.6-178.662.7000111.7L30 I71 I73 I81 S88 I89 Y94 Q95 I96L30-L92 HydrophobicContact CD1-CD2 4.44Å; L30-L92 HydrophobicContact CD2-CD2 3.89Å; I71-L92 HydrophobicContact CG2-CD1 3.63Å; I73-L92 HydrophobicContact CD1-CD1 3.89Å; I73-L92 HydrophobicContact CD1-CD2 4.11Å; I73-L92 HydrophobicContact CG1-CD1 4.28Å; I81-L92 HydrophobicContact CD1-CD2 3.64Å; S88-L92 PolarHBondContact O-N 3.06Å; I89-L92 HydrophobicContact CD1-CD2 4.22Å; I89-L92 PolarHBondContact O-N 2.87Å; L92-Y94 VanDerWaalsContact C-N 3.31Å; L92-Y94 PolarHBondContact O-N 2.81Å; L92-Q95 PolarHBondContact O-N 3.31Å; L92-I96 HydrophobicContact CD1-CD1 4.36Å; L92-I96 HydrophobicContact CG-CD1 4.08Å; L92-I96 WeakPolarHBondContact O-CG1 3.49Å; L92-I96 PolarHBondContact O-N 3.4Å
93L84.6Confident78.7Confident2 Ų259.9 Ų59.91%0.0133%0.331CS..Hα-helixtrans-64.3-34.1175.6-73.6169.3000112.2I5 W8 V9 V20 F24 L30 L33 I89 Y97I5-L93 HydrophobicContact CG2-CB 3.64Å; I5-L93 HydrophobicContact CG2-CD1 4.38Å; W8-L93 HydrophobicContact CZ3-CD2 4.38Å; V9-L93 HydrophobicContact CG2-CD1 4.2Å; V9-L93 HydrophobicContact CG2-CD2 4.1Å; V20-L93 HydrophobicContact CG1-CD1 3.62Å; F24-L93 HydrophobicContact CD1-CD2 4.36Å; F24-L93 HydrophobicContact CE1-CD1 4.42Å; F24-L93 HydrophobicContact CE1-CD2 3.75Å; F24-L93 HydrophobicContact CZ-CD1 4.38Å; F24-L93 HydrophobicContact CZ-CD2 4.11Å; L30-L93 HydrophobicContact CD1-CD2 4.16Å; L33-L93 HydrophobicContact CD1-CD2 4.38Å; I89-L93 HydrophobicContact CD1-CD1 4.42Å; I89-L93 HydrophobicContact CD1-CG 4.26Å; I89-L93 HydrophobicContact CG1-CD1 3.78Å; I89-L93 HydrophobicContact CG1-CG 4.1Å; I89-L93 WeakPolarHBondContact O-CB 3.27Å; I89-L93 WeakPolarHBondContact O-CG 3.29Å; I89-L93 PolarHBondContact O-N 3.02Å; L93-Y97 WeakPolarHBondContact O-CB 3.44Å; L93-Y97 PolarHBondContact O-N 2.84Å
94Y84.3Confident76.5Confident99 Ų9962.6 Ų62.639%0.38835%0.347SS..Hα-helixtrans-64.4-45172.6-178.1-118.2000112I5 Q90 Q91 L92 Y97 V98I5-Y94 HydrophobicContact CD1-CD2 3.98Å; I5-Y94 HydrophobicContact CD1-CG 4.23Å; Q90-Y94 VanDerWaalsContact O-CB 3.29Å; Q90-Y94 WeakPolarHBondContact O-CB 3.29Å; Q90-Y94 PolarHBondContact O-N 3.28Å; Q91-Y94 PolarHBondContact O-N 2.91Å; L92-Y94 VanDerWaalsContact C-N 3.31Å; L92-Y94 PolarHBondContact O-N 2.81Å; Y94-Y97 PolarHBondContact O-N 2.91Å; Y94-V98 HydrophobicContact CD2-CG2 4.17Å; Y94-V98 HydrophobicContact CE1-CG2 4.12Å; Y94-V98 HydrophobicContact CE2-CG2 3.71Å; Y94-V98 WeakPolarHBondContact O-CG2 3.45Å; Y94-V98 PolarHBondContact O-N 2.92Å
95Q82.8Confident74.2Confident76 Ų7662.1 Ų62.136%0.35536%0.364SS..Hα-helixtrans-60.4-47.1176.1-71.9170.7-16.200111.3I71 Q91 L92 Y97 V98 I99I71-Q95 HydrophobicContact CD1-CB 4.15Å; Q91-Q95 WeakPolarHBondContact O-CG 3.15Å; Q91-Q95 PolarHBondContact O-N 2.86Å; L92-Q95 PolarHBondContact O-N 3.31Å; Q95-Y97 PolarHBondContact O-N 3.26Å; Q95-V98 PolarHBondContact O-N 2.87Å; Q95-I99 WeakPolarHBondContact O-CD1 3.23Å; Q95-I99 WeakPolarHBondContact O-CG1 3.45Å; Q95-I99 PolarHBondContact O-N 2.88Å
96I82.7Confident71.7Confident0 Ų064.1 Ų64.10%039%0.388CS..Hα-helixtrans-60.5-44.6175.2-65.6167.6000110.7W8 L30 L33 L34 L66 M69 I71 L92 V98 I99 L100W8-I96 HydrophobicContact CH2-CG2 4.06Å; L30-I96 HydrophobicContact CD1-CD1 3.61Å; L30-I96 HydrophobicContact CG-CD1 4.46Å; L33-I96 HydrophobicContact CD2-CG2 3.88Å; L34-I96 HydrophobicContact CD2-CG2 4.31Å; L66-I96 HydrophobicContact CD2-CD1 3.77Å; L66-I96 HydrophobicContact CD2-CG1 4.06Å; M69-I96 HydrophobicContact CE-CG2 4.27Å; I71-I96 HydrophobicContact CD1-CB 4.42Å; I71-I96 HydrophobicContact CD1-CD1 4.48Å; I71-I96 HydrophobicContact CD1-CG1 3.42Å; I71-I96 VanDerWaalsContact CD1-CG1 3.42Å; L92-I96 HydrophobicContact CD1-CD1 4.36Å; L92-I96 HydrophobicContact CG-CD1 4.08Å; L92-I96 WeakPolarHBondContact O-CG1 3.49Å; L92-I96 PolarHBondContact O-N 3.4Å; I96-V98 PolarHBondContact O-N 3.16Å; I96-I99 PolarHBondContact O-N 3.27Å; I96-L100 HydrophobicContact CG2-CD1 3.57Å; I96-L100 HydrophobicContact CG2-CG 4.24Å; I96-L100 WeakPolarHBondContact O-CB 3.33Å; I96-L100 VanDerWaalsContact O-CG 3.26Å; I96-L100 WeakPolarHBondContact O-CG 3.44Å; I96-L100 PolarHBondContact O-N 2.88Å
97Y82.8Confident69.4Low70 Ų7066.2 Ų66.228%0.27539%0.394SS..Hα-helixtrans-60.6-44.2178.1179.3-108000112.5W8 L93 Y94 Q95 L100 S101W8-Y97 HydrophobicContact CB-CD2 4.45Å; W8-Y97 HydrophobicContact CB-CE2 4.26Å; W8-Y97 AromaticContact CD2-CD2 3.42Å; W8-Y97 HydrophobicContact CD2-CD2 3.42Å; W8-Y97 VanDerWaalsContact CD2-CD2 3.42Å; W8-Y97 HydrophobicContact CD2-CE2 4Å; W8-Y97 HydrophobicContact CD2-CG 4.36Å; W8-Y97 AromaticContact CE2-CD2 3.7Å; W8-Y97 AromaticContact CE3-CD2 3.63Å; W8-Y97 HydrophobicContact CE3-CD2 3.63Å; W8-Y97 HydrophobicContact CE3-CG 4.13Å; W8-Y97 AromaticContact CG-CD2 3.78Å; W8-Y97 HydrophobicContact CG-CD2 3.78Å; W8-Y97 AromaticContact CG-CE2 3.84Å; W8-Y97 HydrophobicContact CG-CE2 3.84Å; W8-Y97 HydrophobicContact CH2-CD2 4.37Å; W8-Y97 HydrophobicContact CZ2-CD2 4.18Å; W8-Y97 HydrophobicContact CZ3-CD2 4.11Å; W8-Y97 HydrophobicContact CZ3-CG 4.35Å; L93-Y97 WeakPolarHBondContact O-CB 3.44Å; L93-Y97 PolarHBondContact O-N 2.84Å; Y94-Y97 PolarHBondContact O-N 2.91Å; Q95-Y97 PolarHBondContact O-N 3.26Å; Y97-L100 PolarHBondContact O-N 3Å; Y97-S101 VanDerWaalsContact CE2-OG 3.3Å; Y97-S101 WeakPolarHBondContact CE2-OG 3.33Å; Y97-S101 WeakPolarHBondContact O-CB 3.45Å; Y97-S101 PolarHBondContact O-N 3.1Å; Y97-S101 PolarHBondContact O-OG 3.3Å
98V81.4Confident67Low72 Ų7275 Ų7544%0.43642%0.418SS..Hα-helixtrans-63.4-43.1177.2170.40000110.9Y94 Q95 I96 L100 S101 G102Y94-V98 HydrophobicContact CD2-CG2 4.17Å; Y94-V98 HydrophobicContact CE1-CG2 4.12Å; Y94-V98 HydrophobicContact CE2-CG2 3.71Å; Y94-V98 WeakPolarHBondContact O-CG2 3.45Å; Y94-V98 PolarHBondContact O-N 2.92Å; Q95-V98 PolarHBondContact O-N 2.87Å; I96-V98 PolarHBondContact O-N 3.16Å; V98-L100 VanDerWaalsContact C-N 3.34Å; V98-L100 PolarHBondContact O-N 2.67Å; V98-S101 PolarHBondContact O-N 2.85Å; V98-G102 PolarHBondContact O-N 3.26Å; V98-G102 VanDerWaalsContact O-N 3.13Å
99I75.8Confident64.1Low75 Ų7580.3 Ų80.339%0.38545%0.453SS..Hα-helixtrans-68.4-30.7178.8-70.4160.7000112.4M69 I71 Q95 I96M69-I99 HydrophobicContact CE-CG2 3.92Å; I71-I99 HydrophobicContact CD1-CD1 3.78Å; I71-I99 HydrophobicContact CG1-CD1 3.6Å; Q95-I99 WeakPolarHBondContact O-CD1 3.23Å; Q95-I99 WeakPolarHBondContact O-CG1 3.45Å; Q95-I99 PolarHBondContact O-N 2.88Å; I96-I99 PolarHBondContact O-N 3.27Å
100L71.1Confident61.4Low32 Ų3285.2 Ų85.217%0.16848%0.479CS..Hα-helixtrans-86.4-27.2177-67.8173.1000113.6W8 L33 Y37 I96 Y97 V98W8-L100 HydrophobicContact CH2-CD1 4.29Å; W8-L100 HydrophobicContact CZ2-CD1 3.9Å; L33-L100 HydrophobicContact CD2-CD1 4.19Å; Y37-L100 HydrophobicContact CD1-CD2 4.45Å; Y37-L100 HydrophobicContact CD2-CD1 3.45Å; Y37-L100 VanDerWaalsContact CD2-CD1 3.45Å; Y37-L100 HydrophobicContact CD2-CD2 4.27Å; Y37-L100 HydrophobicContact CD2-CG 4.48Å; Y37-L100 HydrophobicContact CE2-CD1 3.59Å; Y37-L100 HydrophobicContact CG-CD1 3.99Å; Y37-L100 HydrophobicContact CG-CD2 3.98Å; I96-L100 HydrophobicContact CG2-CD1 3.57Å; I96-L100 HydrophobicContact CG2-CG 4.24Å; I96-L100 WeakPolarHBondContact O-CB 3.33Å; I96-L100 VanDerWaalsContact O-CG 3.26Å; I96-L100 WeakPolarHBondContact O-CG 3.44Å; I96-L100 PolarHBondContact O-N 2.88Å; Y97-L100 PolarHBondContact O-N 3Å; V98-L100 VanDerWaalsContact C-N 3.34Å; V98-L100 PolarHBondContact O-N 2.67Å
101S66.7Low58.9Low62 Ų6290.2 Ų90.243%0.43451%0.506SS..Hα-helixtrans-83.2-19.3178.5-56.20000113Y97 V98 V103Y97-S101 VanDerWaalsContact CE2-OG 3.3Å; Y97-S101 WeakPolarHBondContact CE2-OG 3.33Å; Y97-S101 WeakPolarHBondContact O-CB 3.45Å; Y97-S101 PolarHBondContact O-N 3.1Å; Y97-S101 PolarHBondContact O-OG 3.3Å; V98-S101 PolarHBondContact O-N 2.85Å; S101-V103 VanDerWaalsContact C-N 3.3Å; S101-V103 PolarHBondContact O-N 2.74Å
102G60.3Low56.5Low62 Ų6291.7 Ų91.764%0.63952%0.516SS*.  trans-77.171.7174.200000112.7V98V98-G102 PolarHBondContact O-N 3.26Å; V98-G102 VanDerWaalsContact O-N 3.13Å
103V44.2Very low53.7Low112 Ų11297.8 Ų97.868%0.67955%0.549SS*.  trans-82.6126178.3-179.50000111.2S101S101-V103 VanDerWaalsContact C-N 3.3Å; S101-V103 PolarHBondContact O-N 2.74Å
104D38.3Very low51Low155 Ų155107.2 Ų107.283%0.82959%0.59SS**  trans58.977.7165.9-60.9-22.1000118.7
105G37.2Very low48.8Very low72 Ų72110.9 Ų110.974%0.74260%0.603SS**  trans-135.277.7169.600000114.2
106C30.5Very low46.6Very low135 Ų135114.8 Ų114.891%0.91263%0.627SS**  trans66.1110.3172.3-62.80000118.8
107N31.7Very low44.6Very low154 Ų154123.5 Ų123.582%0.82467%0.665SS**  trans-84.3164.2154.8-74.1-69.4000110.9
108R30.8Very low42.7Very low214 Ų214125.6 Ų125.681%0.80868%0.677SS**  trans74.7150.1175.6-56.5-170157142.92115.6D110R108-D110 WeakPolarHBondContact CD-OD2 3.49Å; R108-D110 WeakPolarHBondContact CG-OD2 3.39Å; R108-D110 IonicContact NE-OD2 3.26Å; R108-D110 PolarHBondContact NE-OD2 3.02Å; R108-D110 VanDerWaalsContact NE-OD2 3.14Å
109C25.8Very low41.4Very low123 Ų123126.2 Ų126.283%0.83168%0.675SS**  cis-100.9149.14.2-540000111.5
110D27.1Very low40.5Very low106 Ų106127 Ų12757%0.56768%0.684SS**  cis71.2118.536.4-70.2-24.3000115.3R108R108-D110 WeakPolarHBondContact CD-OD2 3.49Å; R108-D110 WeakPolarHBondContact CG-OD2 3.39Å; R108-D110 IonicContact NE-OD2 3.26Å; R108-D110 PolarHBondContact NE-OD2 3.02Å; R108-D110 VanDerWaalsContact NE-OD2 3.14Å
111I29Very low39.9Very low151 Ų151131.9 Ų131.977%0.77471%0.705SS**  trans85.1133.9161.2-55.9159.2000117.8
112I33.4Very low39.7Very low152 Ų152132.7 Ų132.778%0.77971%0.705SS**  trans74.183.5-169.8-44.3-176000112.8
113D27.5Very low40Very low130 Ų130133.1 Ų133.170%0.69569%0.692SS**  cis85.815047.5-62.4-65.1000115.9
114F27.1Very low41.4Very low200 Ų200131.6 Ų131.688%0.87768%0.683SS**  trans70.368.5-177.8-62-79.5000118.7
115R39.5Very low43.1Very low175 Ų175129.3 Ų129.366%0.6667%0.67SS**  -164.815.7126.9-108.9174.4-150.4-108.57.6117.8F117 E118R115-F117 PolarHBondContact O-N 3.28Å; R115-E118 IonicContact CZ-OE2 3.14Å; R115-E118 IonicContact NH1-OE1 2.63Å; R115-E118 IonicContact NH1-OE2 3.7Å; R115-E118 PolarHBondContact NH1-OE2 3.38Å
116N35.4Very low44.9Very low159 Ų159129.6 Ų129.685%0.8565%0.653SS**THydrogen-bonded Turntrans-73.572.7169.4-84.1-17.7000112.5
117F41.2Very low47.2Very low182 Ų182124.9 Ų124.980%0.79862%0.618SS**THydrogen-bonded Turntrans-156-23.4155.9-129.6-86000113.9R115 T120R115-F117 PolarHBondContact O-N 3.28Å; F117-T120 PolarHBondContact O-OG1 2.87Å
118E43Very low49.6Very low114 Ų114122.3 Ų122.353%0.53360%0.604SS.*Hα-helixtrans-80.5-32.7175.7-65176133.800112.4R115 T120 Q121 L122R115-E118 IonicContact CZ-OE2 3.14Å; R115-E118 IonicContact NH1-OE1 2.63Å; R115-E118 IonicContact NH1-OE2 3.7Å; R115-E118 PolarHBondContact NH1-OE2 3.38Å; E118-T120 PolarHBondContact O-N 3.27Å; E118-Q121 PolarHBondContact O-N 2.95Å; E118-L122 PolarHBondContact O-N 3.33Å
119H53.9Low52.1Low86 Ų86114.8 Ų114.840%0.39858%0.584SS.*Hα-helixtrans-73.9-15.5-174-79.3-75000115.3N123H119-N123 WeakPolarHBondContact O-CB 3.26Å; H119-N123 PolarHBondContact O-N 2.72Å; H119-N123 PolarHBondContact O-OD1 3.01Å
120T56Low55.1Low91 Ų91109 Ų10956%0.55855%0.545SS*.Hα-helixtrans-73.8-41.2169.548.40000111.2F117 E118 T124F117-T120 PolarHBondContact O-OG1 2.87Å; E118-T120 PolarHBondContact O-N 3.27Å; T120-T124 WeakPolarHBondContact O-CG2 3.38Å; T120-T124 PolarHBondContact O-N 2.82Å; T120-T124 VanDerWaalsContact O-N 3.1Å; T120-T124 PolarHBondContact O-OG1 3.16Å
121Q60.1Low57.9Low134 Ų134107 Ų10763%0.62653%0.531SS*.Hα-helixtrans-48.7-58.7163.47073.8-2.200110.5E118 N123 T124 L125E118-Q121 PolarHBondContact O-N 2.95Å; Q121-N123 PolarHBondContact O-N 3.02Å; Q121-T124 WeakPolarHBondContact CB-OG1 3.44Å; Q121-T124 PolarHBondContact O-N 3.29Å; Q121-T124 PolarHBondContact O-OG1 3.33Å; Q121-L125 WeakPolarHBondContact O-CG 3.31Å; Q121-L125 PolarHBondContact O-N 3.23Å; Q121-L125 VanDerWaalsContact O-N 3.14Å
122L62.1Low60.5Low80 Ų80104.1 Ų104.142%0.41952%0.517SS..Hα-helixtrans-62.2-44.8-176.9-155.479.9000113.2E118 L125 Q126E118-L122 PolarHBondContact O-N 3.33Å; L122-L125 PolarHBondContact O-N 2.99Å; L122-Q126 WeakPolarHBondContact O-CB 3.2Å; L122-Q126 WeakPolarHBondContact O-CG 3.23Å; L122-Q126 PolarHBondContact O-N 2.78Å
123N66.6Low63.1Low70 Ų70101.1 Ų101.137%0.37450%0.5SS..Hα-helixtrans-71.4-32.3-176-69.91.5000112.4H119 Q121 N127H119-N123 WeakPolarHBondContact O-CB 3.26Å; H119-N123 PolarHBondContact O-N 2.72Å; H119-N123 PolarHBondContact O-OD1 3.01Å; Q121-N123 PolarHBondContact O-N 3.02Å; N123-N127 WeakPolarHBondContact O-CB 3.46Å; N123-N127 PolarHBondContact O-N 3.46Å; N123-N127 PolarHBondContact O-ND2 2.61Å
124T72.8Confident65.8Low80 Ų8095 Ų9549%0.49147%0.467SS..Hα-helixtrans-69.1-42.1172.154.30000111.3T120 Q121 N127 L128T120-T124 WeakPolarHBondContact O-CG2 3.38Å; T120-T124 PolarHBondContact O-N 2.82Å; T120-T124 VanDerWaalsContact O-N 3.1Å; T120-T124 PolarHBondContact O-OG1 3.16Å; Q121-T124 WeakPolarHBondContact CB-OG1 3.44Å; Q121-T124 PolarHBondContact O-N 3.29Å; Q121-T124 PolarHBondContact O-OG1 3.33Å; T124-N127 PolarHBondContact O-N 3.19Å; T124-L128 WeakPolarHBondContact O-CB 3.09Å; T124-L128 WeakPolarHBondContact O-CG 3.29Å; T124-L128 PolarHBondContact O-N 3.42Å
125L74.1Confident68.6Low107 Ų10789.4 Ų89.456%0.5644%0.443SS*.Hα-helixtrans-63.7-41.6172.9-70.4174.2000112.7Q121 L122 N127 L128 S129Q121-L125 WeakPolarHBondContact O-CG 3.31Å; Q121-L125 PolarHBondContact O-N 3.23Å; Q121-L125 VanDerWaalsContact O-N 3.14Å; L122-L125 PolarHBondContact O-N 2.99Å; L125-N127 PolarHBondContact O-N 3.4Å; L125-L128 PolarHBondContact O-N 3.14Å; L125-S129 WeakPolarHBondContact O-CB 3.4Å; L125-S129 PolarHBondContact O-N 3Å
126Q76.2Confident70.8Confident79 Ų7989 Ų8937%0.36945%0.448SS..Hα-helixtrans-64.5-37.9175.3-76.9-175.19.500112.2R63 L122 S129 Y130R63-Q126 PolarHBondContact NH1-O 3.04Å; L122-Q126 WeakPolarHBondContact O-CB 3.2Å; L122-Q126 WeakPolarHBondContact O-CG 3.23Å; L122-Q126 PolarHBondContact O-N 2.78Å; Q126-S129 PolarHBondContact O-N 2.96Å; Q126-Y130 VanDerWaalsContact O-CB 3.25Å; Q126-Y130 WeakPolarHBondContact O-CB 3.25Å; Q126-Y130 PolarHBondContact O-N 3.01Å
127N78.7Confident73.1Confident36 Ų3684 Ų8419%0.19342%0.421CS..Hα-helixtrans-74.3-32.5177.2-75.7-38.8000112.7R63 N123 T124 L125 K131R63-N127 WeakPolarHBondContact CD-OD1 3.46Å; R63-N127 PolarHBondContact NH1-OD1 2.96Å; N123-N127 WeakPolarHBondContact O-CB 3.46Å; N123-N127 PolarHBondContact O-N 3.46Å; N123-N127 PolarHBondContact O-ND2 2.61Å; T124-N127 PolarHBondContact O-N 3.19Å; L125-N127 PolarHBondContact O-N 3.4Å; N127-K131 VanDerWaalsContact O-CB 3.26Å; N127-K131 WeakPolarHBondContact O-CB 3.46Å; N127-K131 PolarHBondContact O-N 3.06Å
128L81.5Confident75Confident99 Ų9976.2 Ų76.252%0.51839%0.387SS..Hα-helixtrans-65.8-44.6167.8-73167.6000111.6T124 L125 K131 N132T124-L128 WeakPolarHBondContact O-CB 3.09Å; T124-L128 WeakPolarHBondContact O-CG 3.29Å; T124-L128 PolarHBondContact O-N 3.42Å; L125-L128 PolarHBondContact O-N 3.14Å; L128-K131 PolarHBondContact O-N 3.11Å; L128-N132 WeakPolarHBondContact O-CB 3.45Å; L128-N132 VanDerWaalsContact O-CG 3.22Å; L128-N132 PolarHBondContact O-N 3.45Å; L128-N132 PolarHBondContact O-ND2 3.17Å
129S83.8Confident76.8Confident56 Ų5674.5 Ų74.539%0.39239%0.386SS..Hα-helixtrans-59.8-49.7175.8-174.30000111.6L125 Q126 K131 N132 Q133L125-S129 WeakPolarHBondContact O-CB 3.4Å; L125-S129 PolarHBondContact O-N 3Å; Q126-S129 PolarHBondContact O-N 2.96Å; S129-K131 PolarHBondContact O-N 2.77Å; S129-N132 PolarHBondContact O-N 3.21Å; S129-Q133 WeakPolarHBondContact O-CB 3.49Å; S129-Q133 WeakPolarHBondContact O-CG 3.48Å; S129-Q133 PolarHBondContact O-N 3.05Å
130Y87.1Confident78.1Confident2 Ų279.7 Ų79.71%0.00840%0.402CS..Hα-helixtrans-58.5-45.6175165.7-91.8000111.9F59 R63 A75 S78 Q126 N132 Q133 L134F59-Y130 PolarHBondContact O-OH 2.94Å; R63-Y130 HydrophobicContact CB-CE1 4.14Å; R63-Y130 HydrophobicContact CG-CE1 4.5Å; A75-Y130 HydrophobicContact CB-CD2 3.93Å; A75-Y130 HydrophobicContact CB-CE2 4.29Å; S78-Y130 PolarHBondContact OG-OH 3.17Å; Q126-Y130 VanDerWaalsContact O-CB 3.25Å; Q126-Y130 WeakPolarHBondContact O-CB 3.25Å; Q126-Y130 PolarHBondContact O-N 3.01Å; Y130-N132 VanDerWaalsContact C-N 3.3Å; Y130-N132 PolarHBondContact O-N 3.1Å; Y130-Q133 PolarHBondContact O-N 3.22Å; Y130-L134 HydrophobicContact CE1-CD2 4.28Å; Y130-L134 VanDerWaalsContact O-CB 3.27Å; Y130-L134 WeakPolarHBondContact O-CB 3.48Å; Y130-L134 PolarHBondContact O-N 3.49Å
131K86.5Confident79.2Confident64 Ų6479.6 Ų79.628%0.27840%0.396SS..Hα-helixtrans-62.2-37.4177.1-175171.6-178.41700112.1V56 N127 L128 S129 K135V56-K131 HydrophobicContact CG1-CG 3.85Å; N127-K131 VanDerWaalsContact O-CB 3.26Å; N127-K131 WeakPolarHBondContact O-CB 3.46Å; N127-K131 PolarHBondContact O-N 3.06Å; L128-K131 PolarHBondContact O-N 3.11Å; S129-K131 PolarHBondContact O-N 2.77Å; K131-K135 WeakPolarHBondContact O-CB 3.28Å; K131-K135 WeakPolarHBondContact O-CG 3.45Å; K131-K135 PolarHBondContact O-N 2.88Å
132N84.5Confident80.2Confident90 Ų9081 Ų8148%0.48140%0.396SS..Hα-helixtrans-72.8-41.9177.5-70.9-15.2000112.3L128 S129 Y130 K135 Q136L128-N132 WeakPolarHBondContact O-CB 3.45Å; L128-N132 VanDerWaalsContact O-CG 3.22Å; L128-N132 PolarHBondContact O-N 3.45Å; L128-N132 PolarHBondContact O-ND2 3.17Å; S129-N132 PolarHBondContact O-N 3.21Å; Y130-N132 VanDerWaalsContact C-N 3.3Å; Y130-N132 PolarHBondContact O-N 3.1Å; N132-K135 PolarHBondContact O-N 3.43Å; N132-Q136 WeakPolarHBondContact O-CG 3.44Å; N132-Q136 PolarHBondContact O-N 3.41Å; N132-Q136 VanDerWaalsContact O-N 3.12Å
133Q86.7Confident81.2Confident90 Ų9080.6 Ų80.642%0.42140%0.395SS..Hα-helixtrans-60.3-45.7172.6-73.5168.5-21.500111.1A75 S129 Y130 K135 Q136 L137A75-Q133 HydrophobicContact CB-CB 3.87Å; S129-Q133 WeakPolarHBondContact O-CB 3.49Å; S129-Q133 WeakPolarHBondContact O-CG 3.48Å; S129-Q133 PolarHBondContact O-N 3.05Å; Y130-Q133 PolarHBondContact O-N 3.22Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 2.99Å; Q133-Q136 WeakPolarHBondContact O-CB 3.46Å; Q133-Q136 PolarHBondContact O-N 3.25Å; Q133-L137 WeakPolarHBondContact O-CG 3.12Å; Q133-L137 PolarHBondContact O-N 2.99Å
134L85.4Confident81.8Confident0 Ų079.3 Ų79.30%039%0.389CS..Hα-helixtrans-64.1-36.2178.5-164.463.5000111.9V56 F59 I82 Y130 Q136 L137 I138V56-L134 HydrophobicContact CG2-CD2 4.41Å; V56-L134 HydrophobicContact CG2-CG 4.23Å; F59-L134 HydrophobicContact CB-CD2 3.81Å; I82-L134 HydrophobicContact CD1-CD1 4.06Å; Y130-L134 HydrophobicContact CE1-CD2 4.28Å; Y130-L134 VanDerWaalsContact O-CB 3.27Å; Y130-L134 WeakPolarHBondContact O-CB 3.48Å; Y130-L134 PolarHBondContact O-N 3.49Å; L134-Q136 VanDerWaalsContact C-N 3.28Å; L134-Q136 PolarHBondContact O-N 3.16Å; L134-L137 PolarHBondContact O-N 3.34Å; L134-I138 HydrophobicContact CD1-CD1 3.88Å; L134-I138 HydrophobicContact CD1-CG1 4.48Å; L134-I138 HydrophobicContact CG-CD1 3.73Å; L134-I138 WeakPolarHBondContact O-CB 3.48Å; L134-I138 WeakPolarHBondContact O-CD1 3.49Å; L134-I138 VanDerWaalsContact O-CG1 3.29Å; L134-I138 WeakPolarHBondContact O-CG1 3.29Å; L134-I138 PolarHBondContact O-N 3.1Å
135K85.6Confident82.1Confident84 Ų8477.5 Ų77.537%0.36538%0.38SS..Hα-helixtrans-68.2-18.3170.2-80.2176.5174.6-79.10114.9E53 V56 K131 N132 Q133E53-K135 IonicContact OE1-NZ 2.67Å; E53-K135 PolarHBondContact OE1-NZ 3.33Å; E53-K135 IonicContact OE2-NZ 3.94Å; E53-K135 PolarHBondContact OE2-NZ 3.28Å; V56-K135 HydrophobicContact CG1-CD 4.47Å; V56-K135 HydrophobicContact CG1-CG 3.85Å; V56-K135 HydrophobicContact CG2-CG 4.07Å; K131-K135 WeakPolarHBondContact O-CB 3.28Å; K131-K135 WeakPolarHBondContact O-CG 3.45Å; K131-K135 PolarHBondContact O-N 2.88Å; N132-K135 PolarHBondContact O-N 3.43Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 2.99Å
136Q85.6Confident82.6Confident165 Ų16575.9 Ų75.977%0.77137%0.372SS*.Hα-helixtrans-89.9-30.6175.3-73.5174.4-7.100112.2N132 Q133 L134N132-Q136 WeakPolarHBondContact O-CG 3.44Å; N132-Q136 PolarHBondContact O-N 3.41Å; N132-Q136 VanDerWaalsContact O-N 3.12Å; Q133-Q136 WeakPolarHBondContact O-CB 3.46Å; Q133-Q136 PolarHBondContact O-N 3.25Å; L134-Q136 VanDerWaalsContact C-N 3.28Å; L134-Q136 PolarHBondContact O-N 3.16Å
137L84.3Confident82.8Confident56 Ų5674.8 Ų74.829%0.29338%0.376SS..Hα-helixtrans-79-28.7178.3-68.3174000113.3A75 H79 Q133 L134A75-L137 HydrophobicContact CB-CD1 4.32Å; H79-L137 HydrophobicContact CB-CD1 4.03Å; H79-L137 PolarHBondContact CE1-O 3.34Å; H79-L137 VanDerWaalsContact CE1-O 3.25Å; H79-L137 PolarHBondContact NE2-O 2.75Å; Q133-L137 WeakPolarHBondContact O-CG 3.12Å; Q133-L137 PolarHBondContact O-N 2.99Å; L134-L137 PolarHBondContact O-N 3.34Å
138I81.2Confident82.8Confident17 Ų1779 Ų799%0.08740%0.395CS..SBendtrans-95.2133.1-176.1-61.6169.5000110.7P52 I55 V56 I82 L134P52-I138 HydrophobicContact CB-CG2 3.38Å; I55-I138 HydrophobicContact CG2-CD1 4.33Å; V56-I138 HydrophobicContact CG2-CD1 3.75Å; I82-I138 HydrophobicContact CD1-CD1 3.71Å; I82-I138 HydrophobicContact CD1-CG1 4.5Å; L134-I138 HydrophobicContact CD1-CD1 3.88Å; L134-I138 HydrophobicContact CD1-CG1 4.48Å; L134-I138 HydrophobicContact CG-CD1 3.73Å; L134-I138 WeakPolarHBondContact O-CB 3.48Å; L134-I138 WeakPolarHBondContact O-CD1 3.49Å; L134-I138 VanDerWaalsContact O-CG1 3.29Å; L134-I138 WeakPolarHBondContact O-CG1 3.29Å; L134-I138 PolarHBondContact O-N 3.1Å
139P80.9Confident82.8Confident79 Ų7979.7 Ų79.751%0.51340%0.397SS..PPolyproline II helixtrans-56.3150.7176.5-26.635.2000114V144P139-V144 HydrophobicContact CB-CG2 4.13Å
140R80.5Confident82.8Confident194 Ų19480.8 Ų80.873%0.73240%0.399SS*.PPolyproline II helixtrans-72.7151.3-178.9-53.4175.1172.1-177.4-1.4110.2Y142 D143 V144R140-Y142 PolarHBondContact O-N 3.4Å; R140-Y142 VanDerWaalsContact O-N 3.13Å; R140-D143 WeakPolarHBondContact CB-OD2 3.41Å; R140-D143 WeakPolarHBondContact CG-OD2 3.16Å; R140-D143 PolarHBondContact N-OD2 2.93Å; R140-D143 VanDerWaalsContact N-OD2 3.09Å; R140-D143 WeakPolarHBondContact O-CB 3.28Å; R140-D143 PolarHBondContact O-N 3.32Å; R140-V144 PolarHBondContact O-N 3.23Å
141Q80Confident82.5Confident90 Ų9083.8 Ų83.842%0.42142%0.42SS..Hα-helixtrans-53.8-35.2178.5-178.86277.800113.2S51 P52 S145S51-Q141 PolarHBondContact OG-OE1 2.71Å; P52-Q141 HydrophobicContact CG-CB 4.22Å; Q141-S145 PolarHBondContact O-N 2.91Å; Q141-S145 VanDerWaalsContact O-N 3.07Å; Q141-S145 PolarHBondContact O-OG 3.24Å
142Y80.9Confident82.3Confident162 Ų16290 Ų9064%0.63544%0.442SS*.Hα-helixtrans-63.1-52.3174.4-179.5-97.4000111.5R140 V144 S145 L146R140-Y142 PolarHBondContact O-N 3.4Å; R140-Y142 VanDerWaalsContact O-N 3.13Å; Y142-V144 VanDerWaalsContact C-N 3.26Å; Y142-V144 PolarHBondContact O-N 2.89Å; Y142-S145 PolarHBondContact O-N 3.15Å; Y142-S145 PolarHBondContact O-OG 2.64Å; Y142-L146 HydrophobicContact CE1-CD2 4.27Å; Y142-L146 PolarHBondContact O-N 3.48Å
143D83.2Confident82.4Confident72 Ų7293 Ų9339%0.38545%0.448SS..Hα-helixtrans-57.7-40.1180-41.8-28000111.2R140 L146 A147R140-D143 WeakPolarHBondContact CB-OD2 3.41Å; R140-D143 WeakPolarHBondContact CG-OD2 3.16Å; R140-D143 PolarHBondContact N-OD2 2.93Å; R140-D143 VanDerWaalsContact N-OD2 3.09Å; R140-D143 WeakPolarHBondContact O-CB 3.28Å; R140-D143 PolarHBondContact O-N 3.32Å; D143-L146 PolarHBondContact O-N 3.25Å; D143-A147 VanDerWaalsContact O-CB 3.28Å; D143-A147 WeakPolarHBondContact O-CB 3.25Å; D143-A147 PolarHBondContact O-N 3.17Å
144V78.3Confident82.1Confident43 Ų4393.4 Ų93.426%0.26145%0.449SS..Hα-helixtrans-64-44.4174.4177.90000111.6P52 P139 R140 Y142 A147 Q148P52-V144 HydrophobicContact CG-CG2 4.48Å; P139-V144 HydrophobicContact CB-CG2 4.13Å; R140-V144 PolarHBondContact O-N 3.23Å; Y142-V144 VanDerWaalsContact C-N 3.26Å; Y142-V144 PolarHBondContact O-N 2.89Å; V144-A147 PolarHBondContact O-N 2.78Å; V144-Q148 WeakPolarHBondContact O-CG 3.23Å; V144-Q148 PolarHBondContact O-N 3.28Å
145S79.8Confident81.9Confident43 Ų43102.6 Ų102.630%0.30148%0.484SS..Hα-helixtrans-66.8-37.3177.162.30000112.9Q141 Y142 Q148 I149Q141-S145 PolarHBondContact O-N 2.91Å; Q141-S145 VanDerWaalsContact O-N 3.07Å; Q141-S145 PolarHBondContact O-OG 3.24Å; Y142-S145 PolarHBondContact O-N 3.15Å; Y142-S145 PolarHBondContact O-OG 2.64Å; S145-Q148 PolarHBondContact O-N 3.43Å; S145-I149 WeakPolarHBondContact O-CG1 3.41Å; S145-I149 PolarHBondContact O-N 3.19Å; S145-I149 VanDerWaalsContact O-N 3.12Å
146L84.1Confident81.8Confident73 Ų73103.1 Ų103.138%0.38249%0.488SS..Hα-helixtrans-66-44.4174.2-179.159.6000110.9Y142 D143 Q148 I149 L150Y142-L146 HydrophobicContact CE1-CD2 4.27Å; Y142-L146 PolarHBondContact O-N 3.48Å; D143-L146 PolarHBondContact O-N 3.25Å; L146-Q148 VanDerWaalsContact C-N 3.31Å; L146-Q148 PolarHBondContact O-N 3.14Å; L146-I149 PolarHBondContact O-N 2.75Å; L146-L150 HydrophobicContact CD1-CD1 4.08Å; L146-L150 HydrophobicContact CD1-CG 4.19Å; L146-L150 HydrophobicContact CG-CD1 3.92Å; L146-L150 HydrophobicContact CG-CG 4.42Å; L146-L150 WeakPolarHBondContact O-CB 3.25Å; L146-L150 WeakPolarHBondContact O-CG 3.3Å; L146-L150 PolarHBondContact O-N 3.19Å
147A80Confident81.7Confident56 Ų56101.3 Ų101.346%0.46348%0.481SS..Hα-helixtrans-61.9-36.8174.900000112.4D143 V144 L150 S151D143-A147 VanDerWaalsContact O-CB 3.28Å; D143-A147 WeakPolarHBondContact O-CB 3.25Å; D143-A147 PolarHBondContact O-N 3.17Å; V144-A147 PolarHBondContact O-N 2.78Å; A147-L150 PolarHBondContact O-N 2.83Å; A147-S151 WeakPolarHBondContact O-CB 3.45Å; A147-S151 PolarHBondContact O-N 3.38Å
148Q79.4Confident81.7Confident124 Ų124104.7 Ų104.758%0.57949%0.493SS*.Hα-helixtrans-62.6-46173.7-76.9173.1-9.600111.8V144 S145 L146 S151V144-Q148 WeakPolarHBondContact O-CG 3.23Å; V144-Q148 PolarHBondContact O-N 3.28Å; S145-Q148 PolarHBondContact O-N 3.43Å; L146-Q148 VanDerWaalsContact C-N 3.31Å; L146-Q148 PolarHBondContact O-N 3.14Å; Q148-S151 WeakPolarHBondContact O-CB 3.45Å; Q148-S151 PolarHBondContact O-N 2.96Å; Q148-S151 PolarHBondContact O-OG 3.32Å
149I81.6Confident81.9Confident113 Ų113107.2 Ų107.258%0.57951%0.506SS*.Hα-helixtrans-63.7-46.6176.3-65.8165.7000110.9S145 L146 S151S145-I149 WeakPolarHBondContact O-CG1 3.41Å; S145-I149 PolarHBondContact O-N 3.19Å; S145-I149 VanDerWaalsContact O-N 3.12Å; L146-I149 PolarHBondContact O-N 2.75Å; I149-S151 VanDerWaalsContact C-N 3.28Å; I149-S151 PolarHBondContact O-N 2.92Å
150L84.2Confident82.1Confident79 Ų79106.9 Ų106.941%0.41450%0.5SS..Hα-helixtrans-66.9-26.1178.8-69175.5000113L146 A147 R152 Y153 E154L146-L150 HydrophobicContact CD1-CD1 4.08Å; L146-L150 HydrophobicContact CD1-CG 4.19Å; L146-L150 HydrophobicContact CG-CD1 3.92Å; L146-L150 HydrophobicContact CG-CG 4.42Å; L146-L150 WeakPolarHBondContact O-CB 3.25Å; L146-L150 WeakPolarHBondContact O-CG 3.3Å; L146-L150 PolarHBondContact O-N 3.19Å; A147-L150 PolarHBondContact O-N 2.83Å; L150-R152 PolarHBondContact O-N 3.04Å; L150-R152 VanDerWaalsContact O-N 3.15Å; L150-Y153 CarbonylContact O-C 3.57Å; L150-Y153 WeakPolarHBondContact O-CA 3.38Å; L150-Y153 PolarHBondContact O-N 3.39Å; L150-E154 PolarHBondContact O-N 3.39Å
151S81Confident82.2Confident66 Ų66103.8 Ų103.846%0.46249%0.492SS..Hα-helixtrans-56.9-33.8-177.975.30000113.5A147 Q148 I149 R155A147-S151 WeakPolarHBondContact O-CB 3.45Å; A147-S151 PolarHBondContact O-N 3.38Å; Q148-S151 WeakPolarHBondContact O-CB 3.45Å; Q148-S151 PolarHBondContact O-N 2.96Å; Q148-S151 PolarHBondContact O-OG 3.32Å; I149-S151 VanDerWaalsContact C-N 3.28Å; I149-S151 PolarHBondContact O-N 2.92Å; S151-R155 VanDerWaalsContact O-CB 3.24Å; S151-R155 WeakPolarHBondContact O-CB 3.35Å; S151-R155 PolarHBondContact O-N 3.33Å
152R81.5Confident82.4Confident193 Ų193106.2 Ų106.273%0.72850%0.501SS*.Hα-helixtrans-62.3-47.1173.5-177.6-179.4178.7-176.90.2111.1L150 R155 Q156L150-R152 PolarHBondContact O-N 3.04Å; L150-R152 VanDerWaalsContact O-N 3.15Å; R152-R155 PolarHBondContact O-N 3.17Å; R152-Q156 PolarHBondContact O-N 2.8Å
153Y87.3Confident82.5Confident155 Ų155106.5 Ų106.561%0.60850%0.501SS*.Hα-helixtrans-71.3-39.9-179.6-65.6-82.6000111.8L150 R155 Q156 M157L150-Y153 CarbonylContact O-C 3.57Å; L150-Y153 WeakPolarHBondContact O-CA 3.38Å; L150-Y153 PolarHBondContact O-N 3.39Å; Y153-R155 VanDerWaalsContact C-N 3.35Å; Y153-R155 PolarHBondContact O-N 2.83Å; Y153-Q156 PolarHBondContact O-N 3.17Å; Y153-M157 WeakPolarHBondContact O-CB 3.31Å; Y153-M157 PolarHBondContact O-N 3.22Å
154E80.2Confident82.5Confident98 Ų98107.6 Ų107.646%0.45851%0.506SS..Hα-helixtrans-61-41.8171.5-83.4-161.5-150.300112.4L150 Q156 M157 K158L150-E154 PolarHBondContact O-N 3.39Å; E154-Q156 VanDerWaalsContact C-N 3.35Å; E154-M157 PolarHBondContact O-N 3.3Å; E154-K158 WeakPolarHBondContact O-CB 3.4Å; E154-K158 WeakPolarHBondContact O-CD 3.49Å; E154-K158 VanDerWaalsContact O-CG 3.23Å; E154-K158 WeakPolarHBondContact O-CG 3.2Å; E154-K158 PolarHBondContact O-N 3.02Å; E154-K158 WeakPolarHBondContact OE2-CE 3.45Å; E154-K158 IonicContact OE2-NZ 3.5Å; E154-K158 PolarHBondContact OE2-NZ 3.37Å
155R80.8Confident82.8Confident192 Ų192111.8 Ų111.873%0.72552%0.521SS*.Hα-helixtrans-63.4-43.7177.8-165.6173.7-166.7158.81.6110.5S151 R152 Y153 K158 I159S151-R155 VanDerWaalsContact O-CB 3.24Å; S151-R155 WeakPolarHBondContact O-CB 3.35Å; S151-R155 PolarHBondContact O-N 3.33Å; R152-R155 PolarHBondContact O-N 3.17Å; Y153-R155 VanDerWaalsContact C-N 3.35Å; Y153-R155 PolarHBondContact O-N 2.83Å; R155-K158 PolarHBondContact O-N 3.13Å; R155-I159 HydrophobicContact CG-CD1 4.45Å; R155-I159 VanDerWaalsContact O-CG1 3.31Å; R155-I159 WeakPolarHBondContact O-CG1 3.31Å; R155-I159 PolarHBondContact O-N 3.05Å
156Q83.5Confident82.9Confident95 Ų95114.7 Ų114.744%0.44453%0.529SS..Hα-helixtrans-64.9-41.9173.9-166.261.842.900112.3R152 Y153 E154 K158 I159 N160R152-Q156 PolarHBondContact O-N 2.8Å; Y153-Q156 PolarHBondContact O-N 3.17Å; E154-Q156 VanDerWaalsContact C-N 3.35Å; Q156-K158 VanDerWaalsContact C-N 3.34Å; Q156-K158 PolarHBondContact O-N 3.35Å; Q156-I159 PolarHBondContact O-N 3.36Å; Q156-N160 PolarHBondContact NE2-OD1 3.27Å; Q156-N160 WeakPolarHBondContact O-CB 3.47Å; Q156-N160 VanDerWaalsContact O-CG 3.25Å; Q156-N160 PolarHBondContact O-N 2.97Å; Q156-N160 PolarHBondContact O-OD1 3.25Å
157M83.6Confident83.1Confident127 Ų127113.8 Ų113.863%0.62653%0.533SS*.Hα-helixtrans-62.2-40.7176.3-169.6-163.6-168.300111.6Y153 E154 N160 K161Y153-M157 WeakPolarHBondContact O-CB 3.31Å; Y153-M157 PolarHBondContact O-N 3.22Å; E154-M157 PolarHBondContact O-N 3.3Å; M157-N160 PolarHBondContact O-N 3.21Å; M157-K161 WeakPolarHBondContact O-CB 3.43Å; M157-K161 PolarHBondContact O-N 3.09Å
158K83.4Confident83.2Confident128 Ų128116.4 Ų116.456%0.55754%0.535SS*.Hα-helixtrans-66.9-37.4176.4-73.1163.1-172.6165.90111.7E154 R155 Q156 K162E154-K158 WeakPolarHBondContact O-CB 3.4Å; E154-K158 WeakPolarHBondContact O-CD 3.49Å; E154-K158 VanDerWaalsContact O-CG 3.23Å; E154-K158 WeakPolarHBondContact O-CG 3.2Å; E154-K158 PolarHBondContact O-N 3.02Å; E154-K158 WeakPolarHBondContact OE2-CE 3.45Å; E154-K158 IonicContact OE2-NZ 3.5Å; E154-K158 PolarHBondContact OE2-NZ 3.37Å; R155-K158 PolarHBondContact O-N 3.13Å; Q156-K158 VanDerWaalsContact C-N 3.34Å; Q156-K158 PolarHBondContact O-N 3.35Å; K158-K162 PolarHBondContact O-N 3.07Å; K158-K162 VanDerWaalsContact O-N 3.14Å
159I85.4Confident83.6Confident70 Ų70115.4 Ų115.436%0.35953%0.533SS..Hα-helixtrans-66.2-49.5172.2-69.2163.7000110.8R155 Q156 K161 K162 R163R155-I159 HydrophobicContact CG-CD1 4.45Å; R155-I159 VanDerWaalsContact O-CG1 3.31Å; R155-I159 WeakPolarHBondContact O-CG1 3.31Å; R155-I159 PolarHBondContact O-N 3.05Å; Q156-I159 PolarHBondContact O-N 3.36Å; I159-K161 PolarHBondContact O-N 3.11Å; I159-K162 WeakPolarHBondContact O-CB 3.47Å; I159-K162 PolarHBondContact O-N 2.94Å; I159-R163 PolarHBondContact O-N 3.06Å
160N85.2Confident83.8Confident71 Ų71115.9 Ų115.938%0.3854%0.535SS..Hα-helixtrans-62.2-41.7179.4-696.9000111.4Q156 M157 K162 R163 I164Q156-N160 PolarHBondContact NE2-OD1 3.27Å; Q156-N160 WeakPolarHBondContact O-CB 3.47Å; Q156-N160 VanDerWaalsContact O-CG 3.25Å; Q156-N160 PolarHBondContact O-N 2.97Å; Q156-N160 PolarHBondContact O-OD1 3.25Å; M157-N160 PolarHBondContact O-N 3.21Å; N160-K162 VanDerWaalsContact C-N 3.31Å; N160-K162 PolarHBondContact O-N 3.22Å; N160-R163 PolarHBondContact O-N 3.1Å; N160-I164 VanDerWaalsContact O-CG1 3.28Å; N160-I164 WeakPolarHBondContact O-CG1 3.43Å; N160-I164 PolarHBondContact O-N 2.87Å
161K83.8Confident83.8Confident129 Ų129116.1 Ų116.156%0.56154%0.536SS*.Hα-helixtrans-70-23.1178.1-169.8167-174.91700113.5M157 I159 K165M157-K161 WeakPolarHBondContact O-CB 3.43Å; M157-K161 PolarHBondContact O-N 3.09Å; I159-K161 PolarHBondContact O-N 3.11Å; K161-K165 WeakPolarHBondContact O-CG 3.48Å; K161-K165 PolarHBondContact O-N 2.92Å
162K82.5Confident84Confident142 Ų142116.7 Ų116.762%0.61754%0.537SS*.Hα-helixtrans-70.4-54.3165.2-83.9-166.6172-163.10110.9K158 I159 N160 I164 K165 E166K158-K162 PolarHBondContact O-N 3.07Å; K158-K162 VanDerWaalsContact O-N 3.14Å; I159-K162 WeakPolarHBondContact O-CB 3.47Å; I159-K162 PolarHBondContact O-N 2.94Å; N160-K162 VanDerWaalsContact C-N 3.31Å; N160-K162 PolarHBondContact O-N 3.22Å; K162-I164 VanDerWaalsContact C-N 3.29Å; K162-I164 PolarHBondContact O-N 3.18Å; K162-K165 WeakPolarHBondContact O-CB 3.43Å; K162-K165 PolarHBondContact O-N 2.87Å; K162-E166 WeakPolarHBondContact O-CG 3.23Å; K162-E166 PolarHBondContact O-N 3.09Å
163R83.3Confident84.2Confident167 Ų167112 Ų11263%0.6353%0.526SS*.Hα-helixtrans-56.1-39.3179.6-72.5179.6171.7-177.3-4.4113.6I159 N160 E166 A167I159-R163 PolarHBondContact O-N 3.06Å; N160-R163 PolarHBondContact O-N 3.1Å; R163-E166 WeakPolarHBondContact CA-OE2 3.29Å; R163-E166 PolarHBondContact O-N 2.66Å; R163-A167 WeakPolarHBondContact O-CB 3.36Å; R163-A167 PolarHBondContact O-N 3.1Å
164I83.8Confident84.2Confident96 Ų96110.5 Ų110.549%0.49252%0.524SS..Hα-helixtrans-63.5-45.9175.2-69.8163.4000110.7N160 K162 E166 A167 E168N160-I164 VanDerWaalsContact O-CG1 3.28Å; N160-I164 WeakPolarHBondContact O-CG1 3.43Å; N160-I164 PolarHBondContact O-N 2.87Å; K162-I164 VanDerWaalsContact C-N 3.29Å; K162-I164 PolarHBondContact O-N 3.18Å; I164-E166 PolarHBondContact O-N 2.88Å; I164-A167 PolarHBondContact O-N 3.3Å; I164-E168 HydrophobicContact CG2-CG 4.37Å; I164-E168 WeakPolarHBondContact CG2-OE1 3.26Å; I164-E168 WeakPolarHBondContact O-CB 3.38Å; I164-E168 VanDerWaalsContact O-CG 3.28Å; I164-E168 WeakPolarHBondContact O-CG 3.21Å; I164-E168 PolarHBondContact O-N 2.93Å
165K84.4Confident84.5Confident131 Ų131111.3 Ų111.357%0.5753%0.526SS*.Hα-helixtrans-66.4-35.2176.4-76.9-172.5165.4-147.70113.7K161 K162 L169K161-K165 WeakPolarHBondContact O-CG 3.48Å; K161-K165 PolarHBondContact O-N 2.92Å; K162-K165 WeakPolarHBondContact O-CB 3.43Å; K162-K165 PolarHBondContact O-N 2.87Å; K165-L169 VanDerWaalsContact O-CB 3.32Å; K165-L169 WeakPolarHBondContact O-CB 3.4Å; K165-L169 PolarHBondContact O-N 2.92Å
166E83.1Confident84.6Confident104 Ų104106.8 Ų106.849%0.48652%0.516SS..Hα-helixtrans-65.7-42174.7-72152.2-168.100110.1K162 R163 I164 M170K162-E166 WeakPolarHBondContact O-CG 3.23Å; K162-E166 PolarHBondContact O-N 3.09Å; R163-E166 WeakPolarHBondContact CA-OE2 3.29Å; R163-E166 PolarHBondContact O-N 2.66Å; I164-E166 PolarHBondContact O-N 2.88Å; E166-M170 WeakPolarHBondContact O-CG 3.4Å; E166-M170 PolarHBondContact O-N 3.32Å; E166-M170 VanDerWaalsContact O-N 3.11Å
167A86.5Confident84.7Confident54 Ų54104.9 Ų104.945%0.44652%0.517SS..Hα-helixtrans-65.1-50172.400000112.5R163 I164 L169 M170 D171R163-A167 WeakPolarHBondContact O-CB 3.36Å; R163-A167 PolarHBondContact O-N 3.1Å; I164-A167 PolarHBondContact O-N 3.3Å; A167-L169 PolarHBondContact O-N 2.98Å; A167-M170 PolarHBondContact O-N 2.6Å; A167-M170 VanDerWaalsContact O-N 3.13Å; A167-D171 WeakPolarHBondContact O-CB 3.08Å; A167-D171 PolarHBondContact O-N 3.42Å
168E83.1Confident84.9Confident111 Ų111102.9 Ų102.952%0.51951%0.509SS..Hα-helixtrans-52.3-42.6175.4-74.9167.517400111.9I164 D171 T172I164-E168 HydrophobicContact CG2-CG 4.37Å; I164-E168 WeakPolarHBondContact CG2-OE1 3.26Å; I164-E168 WeakPolarHBondContact O-CB 3.38Å; I164-E168 VanDerWaalsContact O-CG 3.28Å; I164-E168 WeakPolarHBondContact O-CG 3.21Å; I164-E168 PolarHBondContact O-N 2.93Å; E168-D171 WeakPolarHBondContact O-CB 3.39Å; E168-D171 PolarHBondContact O-N 2.92Å; E168-T172 WeakPolarHBondContact O-CG2 3.43Å; E168-T172 PolarHBondContact O-N 3.44Å
169L88.1Confident85Confident102 Ų102101 Ų10153%0.53451%0.507SS..Hα-helixtrans-64.9-48.5177.2-174.1116.4000111.7K165 A167 D171 T172 L173K165-L169 VanDerWaalsContact O-CB 3.32Å; K165-L169 WeakPolarHBondContact O-CB 3.4Å; K165-L169 PolarHBondContact O-N 2.92Å; A167-L169 PolarHBondContact O-N 2.98Å; L169-D171 VanDerWaalsContact C-N 3.3Å; L169-D171 PolarHBondContact O-N 2.97Å; L169-T172 PolarHBondContact O-N 2.97Å; L169-T172 VanDerWaalsContact O-N 3.14Å; L169-T172 PolarHBondContact O-OG1 2.9Å; L169-L173 HydrophobicContact CD2-CD1 3.82Å; L169-L173 HydrophobicContact CG-CD1 4.28Å; L169-L173 WeakPolarHBondContact O-CG 3.36Å; L169-L173 PolarHBondContact O-N 3.5Å
170M84.9Confident84.8Confident124 Ų124103.3 Ų103.361%0.61152%0.517SS*.Hα-helixtrans-60.1-40.9176.5-68.4-58.8-64.200111.8E166 A167 T172 L173 E174E166-M170 WeakPolarHBondContact O-CG 3.4Å; E166-M170 PolarHBondContact O-N 3.32Å; E166-M170 VanDerWaalsContact O-N 3.11Å; A167-M170 PolarHBondContact O-N 2.6Å; A167-M170 VanDerWaalsContact O-N 3.13Å; M170-T172 VanDerWaalsContact C-N 3.31Å; M170-T172 PolarHBondContact O-N 2.72Å; M170-L173 PolarHBondContact O-N 3.47Å; M170-L173 HydrophobicContact SD-CD1 4.25Å; M170-E174 PolarHBondContact O-N 3.09Å
171D85.1Confident84.8Confident83 Ų83107.2 Ų107.244%0.44453%0.53SS..Hα-helixtrans-58.1-40.3174.6-118.758.8000112.1A167 E168 L169 K175A167-D171 WeakPolarHBondContact O-CB 3.08Å; A167-D171 PolarHBondContact O-N 3.42Å; E168-D171 WeakPolarHBondContact O-CB 3.39Å; E168-D171 PolarHBondContact O-N 2.92Å; L169-D171 VanDerWaalsContact C-N 3.3Å; L169-D171 PolarHBondContact O-N 2.97Å; D171-K175 WeakPolarHBondContact O-CD 3.39Å; D171-K175 WeakPolarHBondContact O-CE 3.17Å; D171-K175 WeakPolarHBondContact O-CG 3.32Å; D171-K175 PolarHBondContact O-N 3.36Å; D171-K175 WeakPolarHBondContact OD2-CE 3.4Å; D171-K175 IonicContact OD2-NZ 2.91Å; D171-K175 PolarHBondContact OD2-NZ 3Å
172T84.1Confident84.8Confident78 Ų78110 Ų11048%0.47954%0.537SS..Hα-helixtrans-70.6-40.317556.70000112.6E168 L169 M170 E174 K175 D176E168-T172 WeakPolarHBondContact O-CG2 3.43Å; E168-T172 PolarHBondContact O-N 3.44Å; L169-T172 PolarHBondContact O-N 2.97Å; L169-T172 VanDerWaalsContact O-N 3.14Å; L169-T172 PolarHBondContact O-OG1 2.9Å; M170-T172 VanDerWaalsContact C-N 3.31Å; M170-T172 PolarHBondContact O-N 2.72Å; T172-E174 PolarHBondContact O-N 3.27Å; T172-K175 PolarHBondContact O-N 2.96Å; T172-D176 PolarHBondContact O-N 3.05Å
173L85.4Confident84.8Confident94 Ų94111.4 Ų111.449%0.49254%0.539SS..Hα-helixtrans-65.4-38.3178.6-69.2171.4000112.2L169 M170 A177L169-L173 HydrophobicContact CD2-CD1 3.82Å; L169-L173 HydrophobicContact CG-CD1 4.28Å; L169-L173 WeakPolarHBondContact O-CG 3.36Å; L169-L173 PolarHBondContact O-N 3.5Å; M170-L173 PolarHBondContact O-N 3.47Å; M170-L173 HydrophobicContact SD-CD1 4.25Å; L173-A177 WeakPolarHBondContact O-CB 3.32Å; L173-A177 PolarHBondContact O-N 3.37Å
174E87.7Confident84.9Confident124 Ų124107.9 Ų107.958%0.57953%0.532SS*.Hα-helixtrans-67.9-41.9174.8-172.1176.9172.600111.8M170 T172 D176 A177 L178M170-E174 PolarHBondContact O-N 3.09Å; T172-E174 PolarHBondContact O-N 3.27Å; E174-D176 VanDerWaalsContact C-N 3.34Å; E174-D176 PolarHBondContact O-N 3.35Å; E174-A177 PolarHBondContact O-N 2.96Å; E174-L178 HydrophobicContact CG-CD1 4.23Å; E174-L178 WeakPolarHBondContact O-CG 3.34Å; E174-L178 PolarHBondContact O-N 3.07Å
175K85.9Confident85Confident115 Ų115106.2 Ų106.250%0.553%0.529SS..Hα-helixtrans-60.5-43.9176-71.9161.4-160.4161.50111.1D171 T172 L178 V179D171-K175 WeakPolarHBondContact O-CD 3.39Å; D171-K175 WeakPolarHBondContact O-CE 3.17Å; D171-K175 WeakPolarHBondContact O-CG 3.32Å; D171-K175 PolarHBondContact O-N 3.36Å; D171-K175 WeakPolarHBondContact OD2-CE 3.4Å; D171-K175 IonicContact OD2-NZ 2.91Å; D171-K175 PolarHBondContact OD2-NZ 3Å; T172-K175 PolarHBondContact O-N 2.96Å; K175-L178 PolarHBondContact O-N 2.63Å; K175-V179 WeakPolarHBondContact O-CG2 3.27Å; K175-V179 PolarHBondContact O-N 3.42Å
176D84Confident85Confident97 Ų97109.6 Ų109.652%0.51954%0.538SS..Hα-helixtrans-65.1-41.1174.4-86.1-11000112.4T172 E174 L178 V179 Q180T172-D176 PolarHBondContact O-N 3.05Å; E174-D176 VanDerWaalsContact C-N 3.34Å; E174-D176 PolarHBondContact O-N 3.35Å; D176-L178 VanDerWaalsContact C-N 3.34Å; D176-L178 PolarHBondContact O-N 3.24Å; D176-V179 PolarHBondContact O-N 3.09Å; D176-Q180 WeakPolarHBondContact O-CB 3.24Å; D176-Q180 WeakPolarHBondContact O-CG 3.46Å; D176-Q180 PolarHBondContact O-N 2.8Å
177A86.2Confident85Confident55 Ų55108.8 Ų108.846%0.45554%0.537SS..Hα-helixtrans-61.4-40.8175.200000112.2L173 E174 Q180 K181L173-A177 WeakPolarHBondContact O-CB 3.32Å; L173-A177 PolarHBondContact O-N 3.37Å; E174-A177 PolarHBondContact O-N 2.96Å; A177-Q180 PolarHBondContact O-N 2.76Å; A177-K181 WeakPolarHBondContact O-CB 3.33Å; A177-K181 PolarHBondContact O-N 3.24Å
178L87.6Confident84.9Confident86 Ų86112.2 Ų112.245%0.4554%0.544SS..Hα-helixtrans-66.5-39.8174.5-74.2169.5000112.3E174 K175 D176 K181 R182E174-L178 HydrophobicContact CG-CD1 4.23Å; E174-L178 WeakPolarHBondContact O-CG 3.34Å; E174-L178 PolarHBondContact O-N 3.07Å; K175-L178 PolarHBondContact O-N 2.63Å; D176-L178 VanDerWaalsContact C-N 3.34Å; D176-L178 PolarHBondContact O-N 3.24Å; L178-K181 PolarHBondContact O-N 3.24Å; L178-R182 WeakPolarHBondContact O-CB 3.35Å; L178-R182 WeakPolarHBondContact O-CG 3.28Å; L178-R182 PolarHBondContact O-N 3.14Å
179V85.8Confident85Confident88 Ų88115.7 Ų115.753%0.53355%0.552SS.*Hα-helixtrans-65.4-43.8174.41690000111.1K175 D176 R182 R183K175-V179 WeakPolarHBondContact O-CG2 3.27Å; K175-V179 PolarHBondContact O-N 3.42Å; D176-V179 PolarHBondContact O-N 3.09Å; V179-R182 PolarHBondContact O-N 3.26Å; V179-R183 WeakPolarHBondContact O-CB 3.34Å; V179-R183 PolarHBondContact O-N 2.98Å
180Q80.7Confident84.8Confident119 Ų119113 Ų11356%0.55654%0.542SS*.Hα-helixtrans-62.6-43.9174.7-72.2-175.134.300111.7D176 A177 R182 R183 N184D176-Q180 WeakPolarHBondContact O-CB 3.24Å; D176-Q180 WeakPolarHBondContact O-CG 3.46Å; D176-Q180 PolarHBondContact O-N 2.8Å; A177-Q180 PolarHBondContact O-N 2.76Å; Q180-R182 PolarHBondContact O-N 3.04Å; Q180-R183 WeakPolarHBondContact O-CB 3.37Å; Q180-R183 PolarHBondContact O-N 3.44Å; Q180-N184 WeakPolarHBondContact O-CB 3.46Å; Q180-N184 VanDerWaalsContact O-CG 3.26Å; Q180-N184 PolarHBondContact O-N 2.94Å; Q180-N184 PolarHBondContact O-OD1 3.08Å
181K84.5Confident84.7Confident153 Ų153112.1 Ų112.167%0.66554%0.536SS*.Hα-helixtrans-59.6-46.4175.9-167.8171.5-175.5174.90111.5A177 L178 R183 N184 S185A177-K181 WeakPolarHBondContact O-CB 3.33Å; A177-K181 PolarHBondContact O-N 3.24Å; L178-K181 PolarHBondContact O-N 3.24Å; K181-R183 PolarHBondContact O-N 3.23Å; K181-N184 PolarHBondContact O-N 3.09Å; K181-S185 PolarHBondContact O-N 3.34Å; K181-S185 PolarHBondContact O-OG 3.03Å
182R84.2Confident84.8Confident186 Ų186111.9 Ų111.970%0.70254%0.535SS*.Hα-helixtrans-61.6-40.9173.8-74.5175.4174-175.2-0.9112.5L178 V179 Q180 R186L178-R182 WeakPolarHBondContact O-CB 3.35Å; L178-R182 WeakPolarHBondContact O-CG 3.28Å; L178-R182 PolarHBondContact O-N 3.14Å; V179-R182 PolarHBondContact O-N 3.26Å; Q180-R182 PolarHBondContact O-N 3.04Å; R182-R186 WeakPolarHBondContact O-CG 3.43Å; R182-R186 PolarHBondContact O-N 3.46Å; R182-R186 VanDerWaalsContact O-N 3.08Å
183R82.3Confident85Confident172 Ų172113.8 Ų113.865%0.64954%0.541SS*.Hα-helixtrans-62.7-44.3175.4179.6176.4176.6164.9-1.5111.3V179 Q180 K181 R186 L187V179-R183 WeakPolarHBondContact O-CB 3.34Å; V179-R183 PolarHBondContact O-N 2.98Å; Q180-R183 WeakPolarHBondContact O-CB 3.37Å; Q180-R183 PolarHBondContact O-N 3.44Å; K181-R183 PolarHBondContact O-N 3.23Å; R183-R186 PolarHBondContact O-N 3.05Å; R183-L187 HydrophobicContact CG-CD1 4.04Å; R183-L187 HydrophobicContact CG-CG 4.48Å; R183-L187 WeakPolarHBondContact O-CB 3.04Å; R183-L187 WeakPolarHBondContact O-CG 3.46Å; R183-L187 PolarHBondContact O-N 3.37Å
184N85Confident84.8Confident93 Ų93116 Ų11650%0.49754%0.543SS..Hα-helixtrans-66.2-43.5179.7-69.2-7.2000111.5Q180 K181 R186 L187 Q188Q180-N184 WeakPolarHBondContact O-CB 3.46Å; Q180-N184 VanDerWaalsContact O-CG 3.26Å; Q180-N184 PolarHBondContact O-N 2.94Å; Q180-N184 PolarHBondContact O-OD1 3.08Å; K181-N184 PolarHBondContact O-N 3.09Å; N184-R186 VanDerWaalsContact C-N 3.32Å; N184-R186 PolarHBondContact O-N 3.24Å; N184-L187 PolarHBondContact O-N 3.49Å; N184-Q188 WeakPolarHBondContact O-CB 3.32Å; N184-Q188 PolarHBondContact O-N 2.86Å
185S86.4Confident84.5Confident62 Ų62114.5 Ų114.543%0.43454%0.539SS..Hα-helixtrans-62.6-34.8173.4-56.90000113.2K181 R189K181-S185 PolarHBondContact O-N 3.34Å; K181-S185 PolarHBondContact O-OG 3.03Å; S185-R189 WeakPolarHBondContact O-CG 3.4Å; S185-R189 PolarHBondContact O-N 3.16Å
186R83.7Confident84.4Confident201 Ų201115.3 Ų115.376%0.75855%0.546SS*.Hα-helixtrans-69.3-40.9172.6-76.2179.5174.3-176.7-2.1112.3R182 R183 N184 S190R182-R186 WeakPolarHBondContact O-CG 3.43Å; R182-R186 PolarHBondContact O-N 3.46Å; R182-R186 VanDerWaalsContact O-N 3.08Å; R183-R186 PolarHBondContact O-N 3.05Å; N184-R186 VanDerWaalsContact C-N 3.32Å; N184-R186 PolarHBondContact O-N 3.24Å; R186-S190 VanDerWaalsContact O-CB 3.26Å; R186-S190 WeakPolarHBondContact O-CB 3.46Å; R186-S190 PolarHBondContact O-N 2.86Å
187L82.8Confident84.2Confident88 Ų88116.2 Ų116.246%0.46155%0.547SS..Hα-helixtrans-64.9-40.6175.5-76171.6000111.7R183 N184 S190 H191R183-L187 HydrophobicContact CG-CD1 4.04Å; R183-L187 HydrophobicContact CG-CG 4.48Å; R183-L187 WeakPolarHBondContact O-CB 3.04Å; R183-L187 WeakPolarHBondContact O-CG 3.46Å; R183-L187 PolarHBondContact O-N 3.37Å; N184-L187 PolarHBondContact O-N 3.49Å; L187-S190 CarbonylContact O-C 3.59Å; L187-S190 PolarHBondContact O-N 3.4Å; L187-H191 WeakPolarHBondContact O-CB 3.37Å; L187-H191 PolarHBondContact O-N 2.86Å
188Q84.9Confident83.9Confident125 Ų125116.8 Ų116.858%0.58455%0.548SS*.Hα-helixtrans-65-50.9176.5-169.9168.72.600111.2N184 S190 H191 D192N184-Q188 WeakPolarHBondContact O-CB 3.32Å; N184-Q188 PolarHBondContact O-N 2.86Å; Q188-S190 PolarHBondContact O-N 3.42Å; Q188-S190 VanDerWaalsContact O-N 3.16Å; Q188-H191 CarbonylContact O-C 3.6Å; Q188-H191 WeakPolarHBondContact O-CA 3.35Å; Q188-H191 WeakPolarHBondContact O-CB 3.4Å; Q188-H191 PolarHBondContact O-N 3.45Å; Q188-D192 PolarHBondContact O-N 3.12Å
189R86.2Confident83.7Confident184 Ų184117 Ų11769%0.69455%0.546SS*.Hα-helixtrans-54.8-37.5171.7-72.2-179.8-178.2-176.10.9112.8S185 L193S185-R189 WeakPolarHBondContact O-CG 3.4Å; S185-R189 PolarHBondContact O-N 3.16Å; R189-L193 VanDerWaalsContact O-CB 3.29Å; R189-L193 WeakPolarHBondContact O-CB 3.38Å; R189-L193 VanDerWaalsContact O-CG 3.28Å; R189-L193 WeakPolarHBondContact O-CG 3.43Å; R189-L193 PolarHBondContact O-N 3.02Å
190S83.2Confident83.5Confident45 Ų45117.8 Ų117.832%0.31555%0.547SS..Hα-helixtrans-74-27.1176.8-177.80000113.9R186 L187 Q188 R194R186-S190 VanDerWaalsContact O-CB 3.26Å; R186-S190 WeakPolarHBondContact O-CB 3.46Å; R186-S190 PolarHBondContact O-N 2.86Å; L187-S190 CarbonylContact O-C 3.59Å; L187-S190 PolarHBondContact O-N 3.4Å; Q188-S190 PolarHBondContact O-N 3.42Å; Q188-S190 VanDerWaalsContact O-N 3.16Å; S190-R194 WeakPolarHBondContact O-CB 3.36Å; S190-R194 WeakPolarHBondContact O-CG 3.27Å; S190-R194 PolarHBondContact O-N 3.12Å; S190-R194 PolarHBondContact O-NE 3.35Å; S190-R194 PolarHBondContact OG-NH2 3.42Å
191H82.7Confident83Confident107 Ų107116.8 Ų116.850%0.49554%0.544SS..Hα-helixtrans-71.9-49.6170.5168.1-88.2000109.7L187 Q188 L193 R194 L195L187-H191 WeakPolarHBondContact O-CB 3.37Å; L187-H191 PolarHBondContact O-N 2.86Å; Q188-H191 CarbonylContact O-C 3.6Å; Q188-H191 WeakPolarHBondContact O-CA 3.35Å; Q188-H191 WeakPolarHBondContact O-CB 3.4Å; Q188-H191 PolarHBondContact O-N 3.45Å; H191-L193 PolarHBondContact O-N 3.28Å; H191-R194 CarbonylContact O-C 3.56Å; H191-R194 WeakPolarHBondContact O-CA 3.22Å; H191-R194 WeakPolarHBondContact O-CB 3.49Å; H191-R194 PolarHBondContact O-N 2.71Å; H191-L195 WeakPolarHBondContact O-CB 3.31Å; H191-L195 PolarHBondContact O-N 3.37Å
192D87.9Confident82.6Confident78 Ų78112 Ų11242%0.41753%0.533SS..Hα-helixtrans-67.6-39.2-175.3-53.7-22.5000111.3Q188 L195 M196Q188-D192 PolarHBondContact O-N 3.12Å; D192-L195 PolarHBondContact O-N 3.41Å; D192-M196 WeakPolarHBondContact O-CB 3.32Å; D192-M196 PolarHBondContact O-N 2.88Å
193L87.3Confident82.1Confident117 Ų117111 Ų11161%0.61353%0.529SS*.Hα-helixtrans-61.9-39.5168.7-78169.1000112.5R189 H191 Q197R189-L193 VanDerWaalsContact O-CB 3.29Å; R189-L193 WeakPolarHBondContact O-CB 3.38Å; R189-L193 VanDerWaalsContact O-CG 3.28Å; R189-L193 WeakPolarHBondContact O-CG 3.43Å; R189-L193 PolarHBondContact O-N 3.02Å; H191-L193 PolarHBondContact O-N 3.28Å; L193-Q197 WeakPolarHBondContact O-CB 3.31Å; L193-Q197 PolarHBondContact O-N 2.87Å
194R81.6Confident81.5Confident142 Ų142106.7 Ų106.754%0.53652%0.518SS..Hα-helixtrans-70.9-32.5175.1-88.4-179.3-79.9-178.5-10112.6S190 H191 Q197 S198S190-R194 WeakPolarHBondContact O-CB 3.36Å; S190-R194 WeakPolarHBondContact O-CG 3.27Å; S190-R194 PolarHBondContact O-N 3.12Å; S190-R194 PolarHBondContact O-NE 3.35Å; S190-R194 PolarHBondContact OG-NH2 3.42Å; H191-R194 CarbonylContact O-C 3.56Å; H191-R194 WeakPolarHBondContact O-CA 3.22Å; H191-R194 WeakPolarHBondContact O-CB 3.49Å; H191-R194 PolarHBondContact O-N 2.71Å; R194-Q197 PolarHBondContact O-N 2.82Å; R194-S198 WeakPolarHBondContact O-CB 3.42Å; R194-S198 PolarHBondContact O-N 3.09Å; R194-S198 PolarHBondContact O-OG 2.94Å
195L82.1Confident80.5Confident91 Ų91107.9 Ų107.948%0.47652%0.521SS..Hα-helixtrans-69.1-48.8176.4-161.2155.4000109.2H191 D192 Q197 S198 E199H191-L195 WeakPolarHBondContact O-CB 3.31Å; H191-L195 PolarHBondContact O-N 3.37Å; D192-L195 PolarHBondContact O-N 3.41Å; L195-Q197 VanDerWaalsContact C-N 3.35Å; L195-Q197 PolarHBondContact O-N 2.86Å; L195-S198 WeakPolarHBondContact CA-OG 3.4Å; L195-S198 PolarHBondContact O-N 2.96Å; L195-S198 VanDerWaalsContact O-N 3.14Å; L195-S198 PolarHBondContact O-OG 3.39Å; L195-E199 PolarHBondContact O-N 3.24Å
196M82.6Confident79.6Confident133 Ų133107.7 Ų107.766%0.65552%0.523SS*.Hα-helixtrans-58.5-42.3171.9-171.8-176.6-174.200112.4D192 E199 L200D192-M196 WeakPolarHBondContact O-CB 3.32Å; D192-M196 PolarHBondContact O-N 2.88Å; M196-E199 PolarHBondContact O-N 3.21Å; M196-L200 WeakPolarHBondContact O-CB 3.43Å; M196-L200 PolarHBondContact O-N 3.47Å
197Q80.2Confident78.2Confident115 Ų115101.4 Ų101.454%0.53751%0.51SS..Hα-helixtrans-66.7-38.1175.1-172.5179.820.800112L193 R194 L195 L200 M201L193-Q197 WeakPolarHBondContact O-CB 3.31Å; L193-Q197 PolarHBondContact O-N 2.87Å; R194-Q197 PolarHBondContact O-N 2.82Å; L195-Q197 VanDerWaalsContact C-N 3.35Å; L195-Q197 PolarHBondContact O-N 2.86Å; Q197-L200 PolarHBondContact O-N 3.4Å; Q197-M201 WeakPolarHBondContact O-CB 3.39Å; Q197-M201 VanDerWaalsContact O-CG 3.31Å; Q197-M201 WeakPolarHBondContact O-CG 3.18Å; Q197-M201 PolarHBondContact O-N 3.25Å
198S80.3Confident76.8Confident67 Ų67102.8 Ų102.847%0.46952%0.516SS..Hα-helixtrans-70.1-33.9176.874.50000112R194 L195 M201 A202R194-S198 WeakPolarHBondContact O-CB 3.42Å; R194-S198 PolarHBondContact O-N 3.09Å; R194-S198 PolarHBondContact O-OG 2.94Å; L195-S198 WeakPolarHBondContact CA-OG 3.4Å; L195-S198 PolarHBondContact O-N 2.96Å; L195-S198 VanDerWaalsContact O-N 3.14Å; L195-S198 PolarHBondContact O-OG 3.39Å; S198-M201 PolarHBondContact O-N 2.81Å; S198-A202 VanDerWaalsContact O-CB 3.27Å; S198-A202 WeakPolarHBondContact O-CB 3.34Å; S198-A202 PolarHBondContact O-N 3.32Å
199E83.9Confident75.3Confident90 Ų90103.1 Ų103.142%0.42152%0.521SS..Hα-helixtrans-73.2-40.5174.5-158.7-165.2168.900111L195 M196 A202 R203L195-E199 PolarHBondContact O-N 3.24Å; M196-E199 PolarHBondContact O-N 3.21Å; E199-A202 PolarHBondContact O-N 3.27Å; E199-R203 WeakPolarHBondContact O-CB 3.21Å; E199-R203 WeakPolarHBondContact O-CD 3.4Å; E199-R203 WeakPolarHBondContact O-CG 3.36Å; E199-R203 PolarHBondContact O-N 2.86Å; E199-R203 IonicContact OE1-CZ 3.25Å; E199-R203 VanDerWaalsContact OE1-CZ 3.24Å; E199-R203 IonicContact OE1-NE 2.77Å; E199-R203 PolarHBondContact OE1-NE 3.23Å; E199-R203 VanDerWaalsContact OE1-NE 3.09Å; E199-R203 IonicContact OE1-NH2 2.89Å; E199-R203 PolarHBondContact OE1-NH2 3.33Å; E199-R203 IonicContact OE2-NH2 3.75Å
200L80.4Confident73Confident105 Ų105100.6 Ų100.655%0.5552%0.521SS..Hα-helixtrans-60.2-45.6171-167.691.5000110.8M196 Q197 R203 L204M196-L200 WeakPolarHBondContact O-CB 3.43Å; M196-L200 PolarHBondContact O-N 3.47Å; Q197-L200 PolarHBondContact O-N 3.4Å; L200-R203 PolarHBondContact O-N 3.45Å; L200-L204 HydrophobicContact CD2-CD1 4.17Å; L200-L204 HydrophobicContact CG-CD1 4.18Å; L200-L204 WeakPolarHBondContact O-CB 3.47Å; L200-L204 VanDerWaalsContact O-CG 3.27Å; L200-L204 WeakPolarHBondContact O-CG 3.37Å; L200-L204 PolarHBondContact O-N 3.31Å
201M70.2Confident70.8Confident99 Ų99104.7 Ų104.749%0.48854%0.539SS..Hα-helixtrans-61.6-46.2174.5-79.8-64.9-156.100111.6Q197 S198 R203 L204 E205Q197-M201 WeakPolarHBondContact O-CB 3.39Å; Q197-M201 VanDerWaalsContact O-CG 3.31Å; Q197-M201 WeakPolarHBondContact O-CG 3.18Å; Q197-M201 PolarHBondContact O-N 3.25Å; S198-M201 PolarHBondContact O-N 2.81Å; M201-R203 VanDerWaalsContact C-N 3.31Å; M201-R203 PolarHBondContact O-N 2.92Å; M201-L204 CarbonylContact O-C 3.57Å; M201-L204 PolarHBondContact O-N 3.3Å; M201-L204 VanDerWaalsContact O-N 3.12Å; M201-E205 WeakPolarHBondContact O-CB 3.35Å; M201-E205 WeakPolarHBondContact O-CG 3.24Å; M201-E205 PolarHBondContact O-N 3.08Å
202A76.7Confident68.6Low53 Ų53105.9 Ų105.944%0.43856%0.556SS.*Hα-helixtrans-62.8-36.9177.800000112.3S198 E199 A206S198-A202 VanDerWaalsContact O-CB 3.27Å; S198-A202 WeakPolarHBondContact O-CB 3.34Å; S198-A202 PolarHBondContact O-N 3.32Å; E199-A202 PolarHBondContact O-N 3.27Å; A202-A206 WeakPolarHBondContact O-CB 3.29Å; A202-A206 PolarHBondContact O-N 3.15Å
203R73.9Confident65.9Low164 Ų164111.6 Ų111.662%0.61958%0.577SS**Hα-helixtrans-68.8-36.5173.1-69.8166.8179.7-149.66.4112.1E199 L200 M201 S207E199-R203 WeakPolarHBondContact O-CB 3.21Å; E199-R203 WeakPolarHBondContact O-CD 3.4Å; E199-R203 WeakPolarHBondContact O-CG 3.36Å; E199-R203 PolarHBondContact O-N 2.86Å; E199-R203 IonicContact OE1-CZ 3.25Å; E199-R203 VanDerWaalsContact OE1-CZ 3.24Å; E199-R203 IonicContact OE1-NE 2.77Å; E199-R203 PolarHBondContact OE1-NE 3.23Å; E199-R203 VanDerWaalsContact OE1-NE 3.09Å; E199-R203 IonicContact OE1-NH2 2.89Å; E199-R203 PolarHBondContact OE1-NH2 3.33Å; E199-R203 IonicContact OE2-NH2 3.75Å; L200-R203 PolarHBondContact O-N 3.45Å; M201-R203 VanDerWaalsContact C-N 3.31Å; M201-R203 PolarHBondContact O-N 2.92Å; R203-S207 PolarHBondContact O-N 2.85Å; R203-S207 PolarHBondContact O-OG 3.35Å
204L69.7Low63.5Low81 Ų81111.9 Ų111.942%0.42459%0.589SS.*Hα-helixtrans-70-45.2173.6-73.7168.9000111.6L200 M201 S207 I208L200-L204 HydrophobicContact CD2-CD1 4.17Å; L200-L204 HydrophobicContact CG-CD1 4.18Å; L200-L204 WeakPolarHBondContact O-CB 3.47Å; L200-L204 VanDerWaalsContact O-CG 3.27Å; L200-L204 WeakPolarHBondContact O-CG 3.37Å; L200-L204 PolarHBondContact O-N 3.31Å; M201-L204 CarbonylContact O-C 3.57Å; M201-L204 PolarHBondContact O-N 3.3Å; M201-L204 VanDerWaalsContact O-N 3.12Å; L204-S207 WeakPolarHBondContact CA-OG 3.41Å; L204-S207 PolarHBondContact O-N 3.01Å; L204-S207 PolarHBondContact O-OG 2.92Å; L204-I208 HydrophobicContact CB-CD1 4.42Å; L204-I208 VanDerWaalsContact O-CB 3.3Å; L204-I208 WeakPolarHBondContact O-CB 3.02Å; L204-I208 WeakPolarHBondContact O-CD1 3.5Å; L204-I208 WeakPolarHBondContact O-CG1 3.16Å; L204-I208 PolarHBondContact O-N 3.04Å
205E63.7Low61.2Low118 Ų118111.2 Ų111.255%0.55160%0.596SS**Hα-helixtrans-62.9-44.7175.4-72.3-177.616100111.1M201 S207 I208 I209M201-E205 WeakPolarHBondContact O-CB 3.35Å; M201-E205 WeakPolarHBondContact O-CG 3.24Å; M201-E205 PolarHBondContact O-N 3.08Å; E205-S207 PolarHBondContact O-N 2.99Å; E205-I208 PolarHBondContact O-N 3.44Å; E205-I209 HydrophobicContact CB-CD1 4.49Å; E205-I209 VanDerWaalsContact O-CB 3.28Å; E205-I209 WeakPolarHBondContact O-CB 3.34Å; E205-I209 WeakPolarHBondContact O-CD1 3.34Å; E205-I209 WeakPolarHBondContact O-CG1 3.5Å; E205-I209 PolarHBondContact O-N 3.05Å
206A66.6Low58.8Low58 Ų58118.6 Ų118.648%0.47962%0.618SS.*Hα-helixtrans-61.6-27.3175.300000113.8A202 N210A202-A206 WeakPolarHBondContact O-CB 3.29Å; A202-A206 PolarHBondContact O-N 3.15Å; A206-N210 PolarHBondContact O-ND2 3.42Å
207S54.9Low56.6Low69 Ų69121.4 Ų121.448%0.48363%0.626SS.*Hα-helixtrans-88-30.4173.947.70000113.4R203 L204 E205R203-S207 PolarHBondContact O-N 2.85Å; R203-S207 PolarHBondContact O-OG 3.35Å; L204-S207 WeakPolarHBondContact CA-OG 3.41Å; L204-S207 PolarHBondContact O-N 3.01Å; L204-S207 PolarHBondContact O-OG 2.92Å; E205-S207 PolarHBondContact O-N 2.99Å
208I54.1Low54.5Low117 Ų117125 Ų12560%0.664%0.64SS**Hα-helixtrans-74.4-32.5175-71.2164.7000112.1L204 E205 N210 L211L204-I208 HydrophobicContact CB-CD1 4.42Å; L204-I208 VanDerWaalsContact O-CB 3.3Å; L204-I208 WeakPolarHBondContact O-CB 3.02Å; L204-I208 WeakPolarHBondContact O-CD1 3.5Å; L204-I208 WeakPolarHBondContact O-CG1 3.16Å; L204-I208 PolarHBondContact O-N 3.04Å; E205-I208 PolarHBondContact O-N 3.44Å; I208-N210 PolarHBondContact O-N 3.04Å; I208-N210 VanDerWaalsContact O-N 3.13Å; I208-L211 PolarHBondContact O-N 3.31Å
209I53Low52.4Low132 Ų132128.9 Ų128.968%0.67766%0.655SS**THydrogen-bonded Turntrans-63.4-16177-75.9165.4000112.4E205E205-I209 HydrophobicContact CB-CD1 4.49Å; E205-I209 VanDerWaalsContact O-CB 3.28Å; E205-I209 WeakPolarHBondContact O-CB 3.34Å; E205-I209 WeakPolarHBondContact O-CD1 3.34Å; E205-I209 WeakPolarHBondContact O-CG1 3.5Å; E205-I209 PolarHBondContact O-N 3.05Å
210N38.5Very low50Low132 Ų132132.6 Ų132.671%0.70667%0.672SS**THydrogen-bonded Turntrans-9526.9179-77-67.8000114.9A206 I208A206-N210 PolarHBondContact O-ND2 3.42Å; I208-N210 PolarHBondContact O-N 3.04Å; I208-N210 VanDerWaalsContact O-N 3.13Å
211L36.7Very low47.6Very low131 Ų131134 Ų13469%0.68669%0.686SS**SBendtrans-121.6124.5160.7-76.892.6000111.4I208I208-L211 PolarHBondContact O-N 3.31Å
212P37.3Very low45.7Very low132 Ų132139.4 Ų139.486%0.85771%0.706SS**  trans-71.6141.5-17929-34.2000112.2
213K30.2Very low43.7Very low197 Ų197142.1 Ų142.186%0.85772%0.722SS**  trans-75.8156.5-171.1-60.6174.7-177.6175.70113.2
214S36.4Very low41.6Very low124 Ų124141.5 Ų141.587%0.86773%0.728SS**  trans-142.3127.1164.3-175.50000109
215D33Very low40.2Very low127 Ų127142.5 Ų142.568%0.67973%0.734SS**  trans-91.6159.5-160.6-50.7-75.4000115.4
216R33.6Very low39.1Very low246 Ų246141.9 Ų141.993%0.92874%0.738SS**  trans-160.679.9139.8-107.2153.2-158.1-134.14.1115.4
217K35.5Very low38.1Very low192 Ų192147.6 Ų147.684%0.83576%0.755SS**  trans19.4121.9139.7-55.6176.9-179.8-177.90119
218K35.6Very low37.7Very low192 Ų192151.5 Ų151.584%0.83577%0.765SS**  -178.5140.2113.1-104.7179.7179.1-174.50113.2
219L36.8Very low37.3Very low147 Ų147149.3 Ų149.377%0.7776%0.758SS**  trans54.6151.4172.3-7678.6000116.8
220E33.5Very low37Very low168 Ų168151.2 Ų151.279%0.78576%0.761SS**  cis-178.3113.5-42.5-114.2171.5-157.700105.2K222E220-K222 PolarHBondContact O-N 3.18Å
221T29.7Very low37.5Very low136 Ų136152.8 Ų152.883%0.83476%0.764SS**  trans-18.4107165.1490000117.2
222K30.5Very low37.8Very low211 Ų211150.5 Ų150.592%0.91776%0.756SS**  trans-174.694.2149.5-108.4165.3-176.3177.20113E220E220-K222 PolarHBondContact O-N 3.18Å
223S35.2Very low38.2Very low110 Ų110149.8 Ų149.877%0.76974%0.741SS**  trans-161.966.3160.864.60000112.2
224M29.9Very low38.8Very low151 Ų151143.9 Ų143.974%0.74473%0.729SS**  trans-75.5178152.9-79.6-77.3-70.400109.4T226M224-T226 VanDerWaalsContact C-N 3.33Å; M224-T226 PolarHBondContact O-N 3.43Å
225D39.2Very low39.3Very low102 Ų102140.9 Ų140.955%0.54571%0.708SS.*SBendtrans70.7-6.5156.4-46.9-36.4000119.7Q227 T229D225-Q227 PolarHBondContact O-N 3.25Å; D225-T229 WeakPolarHBondContact O-CG2 3.32Å; D225-T229 PolarHBondContact O-OG1 3.39Å
226T41.8Very low40Very low106 Ų106136.8 Ų136.865%0.6569%0.689SS**THydrogen-bonded Turntrans-74.3-2.1173.2450000115.3M224 T229M224-T226 VanDerWaalsContact C-N 3.33Å; M224-T226 PolarHBondContact O-N 3.43Å; T226-T229 WeakPolarHBondContact CA-OG1 3.41Å
227Q45.2Very low40.9Very low178 Ų178129 Ų12983%0.83267%0.665SS**THydrogen-bonded Turntrans-105.2-21.1-179-130.8170.72.600114.5D225D225-Q227 PolarHBondContact O-N 3.25Å
228Q46.8Very low41.9Very low150 Ų150123.2 Ų123.270%0.70165%0.649SS**THydrogen-bonded Turntrans-94.2-22171.4-74.6-177.9-22.800113.2K230 T232Q228-K230 VanDerWaalsContact C-N 3.35Å; Q228-K230 PolarHBondContact O-N 3.35Å; Q228-T232 PolarHBondContact O-OG1 3.03Å
229T44.8Very low42.7Very low72 Ų72119 Ų11944%0.44263%0.634SS.*Hα-helixtrans-74.2-15.1-17842.50000114.9D225 T226 T232 H233D225-T229 WeakPolarHBondContact O-CG2 3.32Å; D225-T229 PolarHBondContact O-OG1 3.39Å; T226-T229 WeakPolarHBondContact CA-OG1 3.41Å; T229-T232 WeakPolarHBondContact CA-OG1 3.32Å; T229-T232 PolarHBondContact O-OG1 3.28Å; T229-H233 WeakPolarHBondContact O-CB 3.46Å
230K47.5Very low43.8Very low172 Ų172118.3 Ų118.375%0.74863%0.625SS**Hα-helixtrans-90.9-27.8175.4-72.9-170.1175.5-176.30114.6Q228 T232Q228-K230 VanDerWaalsContact C-N 3.35Å; Q228-K230 PolarHBondContact O-N 3.35Å; K230-T232 VanDerWaalsContact C-N 3.32Å
231Q48.1Very low45.1Very low164 Ų164116.6 Ų116.677%0.76662%0.617SS**Hα-helixtrans-79.1-16.6173.9-74.9-178.1-2600113.2S235Q231-S235 PolarHBondContact O-OG 3.08Å
232T43Very low46.5Very low83 Ų83114.6 Ų114.651%0.50960%0.601SS.*Hα-helixtrans-95.6-21.9176.944.20000113.7Q228 T229 K230 S235 S236Q228-T232 PolarHBondContact O-OG1 3.03Å; T229-T232 WeakPolarHBondContact CA-OG1 3.32Å; T229-T232 PolarHBondContact O-OG1 3.28Å; K230-T232 VanDerWaalsContact C-N 3.32Å; T232-S235 WeakPolarHBondContact CA-OG 3.47Å; T232-S235 PolarHBondContact O-OG 3.28Å; T232-S236 VanDerWaalsContact O-CB 3.3Å; T232-S236 WeakPolarHBondContact O-CB 3.48Å; T232-S236 PolarHBondContact O-N 2.67Å; T232-S236 PolarHBondContact O-OG 2.68Å
233H45.4Very low47.9Very low118 Ų118109.2 Ų109.255%0.54658%0.583SS.*Hα-helixtrans-88.1-30.1-179.8-127.2-63.6000114.5T229 I237T229-H233 WeakPolarHBondContact O-CB 3.46Å; H233-I237 WeakPolarHBondContact O-CD1 3.37Å; H233-I237 VanDerWaalsContact O-CG1 3.29Å; H233-I237 WeakPolarHBondContact O-CG1 3.44Å; H233-I237 PolarHBondContact O-N 2.75Å
234A44Very low49.2Very low72 Ų72108.5 Ų108.560%0.59557%0.57SS**Hα-helixtrans-74.3-34.2175.400000112.2
235S47Very low50.7Low62 Ų62107.3 Ų107.343%0.43456%0.561SS.*Hα-helixtrans-75.8-36176.944.10000112.9Q231 T232 L239Q231-S235 PolarHBondContact O-OG 3.08Å; T232-S235 WeakPolarHBondContact CA-OG 3.47Å; T232-S235 PolarHBondContact O-OG 3.28Å; S235-L239 WeakPolarHBondContact O-CB 3.35Å; S235-L239 WeakPolarHBondContact O-CG 3.15Å; S235-L239 PolarHBondContact O-N 3.16Å
236S47Very low51.5Low40 Ų40105.5 Ų105.528%0.2855%0.551SS.*Hα-helixtrans-84.2-9.8-179.960.50000115.5T232 K240T232-S236 VanDerWaalsContact O-CB 3.3Å; T232-S236 WeakPolarHBondContact O-CB 3.48Å; T232-S236 PolarHBondContact O-N 2.67Å; T232-S236 PolarHBondContact O-OG 2.68Å; S236-K240 WeakPolarHBondContact O-CB 3.42Å; S236-K240 VanDerWaalsContact O-CG 3.23Å; S236-K240 WeakPolarHBondContact O-CG 3.48Å; S236-K240 PolarHBondContact O-N 3.35Å
237I52.3Low52.4Low83 Ų83103.7 Ų103.743%0.42654%0.543SS..Hα-helixtrans-81.9-50.9173.3-73171.1000110.5H233 L239 K240 E241H233-I237 WeakPolarHBondContact O-CD1 3.37Å; H233-I237 VanDerWaalsContact O-CG1 3.29Å; H233-I237 WeakPolarHBondContact O-CG1 3.44Å; H233-I237 PolarHBondContact O-N 2.75Å; I237-L239 VanDerWaalsContact C-N 3.29Å; I237-L239 PolarHBondContact O-N 2.86Å; I237-K240 PolarHBondContact O-N 3.27Å; I237-E241 PolarHBondContact O-N 3.19Å
238S55.8Low52.8Low71 Ų71104.5 Ų104.550%0.49754%0.538SS..Hα-helixtrans-64.8-32.2174.5-61.50000112.8L242S238-L242 WeakPolarHBondContact O-CB 3.49Å; S238-L242 VanDerWaalsContact O-CG 3.28Å; S238-L242 WeakPolarHBondContact O-CG 3.24Å; S238-L242 PolarHBondContact O-N 3.13Å
239L52.5Low52.9Low102 Ų102104.2 Ų104.253%0.53454%0.535SS..Hα-helixtrans-68.2-35.8170.8-74.4174.1000112.3S235 I237 L242 D243S235-L239 WeakPolarHBondContact O-CB 3.35Å; S235-L239 WeakPolarHBondContact O-CG 3.15Å; S235-L239 PolarHBondContact O-N 3.16Å; I237-L239 VanDerWaalsContact C-N 3.29Å; I237-L239 PolarHBondContact O-N 2.86Å; L239-L242 PolarHBondContact O-N 3.31Å; L239-D243 VanDerWaalsContact O-CB 3.31Å; L239-D243 WeakPolarHBondContact O-CB 3.48Å; L239-D243 PolarHBondContact O-N 3.36Å
240K60Low52.4Low133 Ų133109 Ų10958%0.57855%0.552SS**Hα-helixtrans-71.1-35.3174-81.1176.2178.5179.50113.9S236 I237 L242 D243 D244S236-K240 WeakPolarHBondContact O-CB 3.42Å; S236-K240 VanDerWaalsContact O-CG 3.23Å; S236-K240 WeakPolarHBondContact O-CG 3.48Å; S236-K240 PolarHBondContact O-N 3.35Å; I237-K240 PolarHBondContact O-N 3.27Å; K240-L242 VanDerWaalsContact C-N 3.29Å; K240-D243 PolarHBondContact O-N 3.33Å; K240-D244 VanDerWaalsContact O-CB 3.26Å; K240-D244 WeakPolarHBondContact O-CB 3.38Å; K240-D244 PolarHBondContact O-N 3.28Å
241E61.6Low52Low132 Ų132109.1 Ų109.162%0.61755%0.553SS**Hα-helixtrans-72-25.6175-70177.8166.100112I237 F245I237-E241 PolarHBondContact O-N 3.19Å; E241-F245 VanDerWaalsContact O-CB 3.26Å; E241-F245 WeakPolarHBondContact O-CB 3.26Å; E241-F245 PolarHBondContact O-N 3.49Å
242L59Low51.4Low94 Ų94106.9 Ų106.949%0.49255%0.554SS.*Hα-helixtrans-78.8-42.5168-71.6168.8000112.2S238 L239 K240 D244 F245 D246S238-L242 WeakPolarHBondContact O-CB 3.49Å; S238-L242 VanDerWaalsContact O-CG 3.28Å; S238-L242 WeakPolarHBondContact O-CG 3.24Å; S238-L242 PolarHBondContact O-N 3.13Å; L239-L242 PolarHBondContact O-N 3.31Å; K240-L242 VanDerWaalsContact C-N 3.29Å; L242-D244 VanDerWaalsContact C-N 3.33Å; L242-D244 PolarHBondContact O-N 3.37Å; L242-F245 CarbonylContact O-C 3.38Å; L242-F245 WeakPolarHBondContact O-CA 3.28Å; L242-F245 WeakPolarHBondContact O-CB 3.3Å; L242-F245 PolarHBondContact O-N 3.32Å; L242-D246 PolarHBondContact O-N 3.19Å
243D60.7Low50.6Low99 Ų99111.1 Ų111.153%0.52957%0.568SS.*Hα-helixtrans-62-39.4174.5-70.1-26.8000111L239 K240 F245 S247L239-D243 VanDerWaalsContact O-CB 3.31Å; L239-D243 WeakPolarHBondContact O-CB 3.48Å; L239-D243 PolarHBondContact O-N 3.36Å; K240-D243 PolarHBondContact O-N 3.33Å; D243-F245 VanDerWaalsContact C-N 3.29Å; D243-F245 PolarHBondContact O-N 2.93Å; D243-S247 WeakPolarHBondContact O-CA 3.45Å; D243-S247 WeakPolarHBondContact O-CB 3.24Å; D243-S247 PolarHBondContact O-N 3.23Å; D243-S247 PolarHBondContact O-OG 3.08Å
244D62.8Low49.8Very low94 Ų94111.4 Ų111.450%0.50357%0.573SS.*Hα-helixtrans-74.4-15.5173.6-89.6-28.2000113.2K240 L242 R248K240-D244 VanDerWaalsContact O-CB 3.26Å; K240-D244 WeakPolarHBondContact O-CB 3.38Å; K240-D244 PolarHBondContact O-N 3.28Å; L242-D244 VanDerWaalsContact C-N 3.33Å; L242-D244 PolarHBondContact O-N 3.37Å; D244-R248 VanDerWaalsContact O-CD 3.29Å; D244-R248 WeakPolarHBondContact O-CD 3.48Å; D244-R248 WeakPolarHBondContact O-CG 3.47Å; D244-R248 PolarHBondContact O-NE 3.32Å
245F61.1Low49Very low126 Ų126117.1 Ų117.155%0.55358%0.58SS**Hα-helixtrans-85.8-48.3172.6177.9-98.9000110.7E241 L242 D243 R248 K249E241-F245 VanDerWaalsContact O-CB 3.26Å; E241-F245 WeakPolarHBondContact O-CB 3.26Å; E241-F245 PolarHBondContact O-N 3.49Å; L242-F245 CarbonylContact O-C 3.38Å; L242-F245 WeakPolarHBondContact O-CA 3.28Å; L242-F245 WeakPolarHBondContact O-CB 3.3Å; L242-F245 PolarHBondContact O-N 3.32Å; D243-F245 VanDerWaalsContact C-N 3.29Å; D243-F245 PolarHBondContact O-N 2.93Å; F245-R248 CarbonylContact O-C 3.59Å; F245-R248 WeakPolarHBondContact O-CA 3.37Å; F245-R248 WeakPolarHBondContact O-CB 3.36Å; F245-R248 PolarHBondContact O-N 2.76Å; F245-K249 HydrophobicContact CE1-CD 4.42Å; F245-K249 PolarHBondContact O-N 3.04Å; F245-K249 VanDerWaalsContact O-N 3.16Å
246D55.1Low48Very low64 Ų64122 Ų12234%0.34260%0.602SS.*Hα-helixtrans-71.2-30.3175.7-75.5-41.1000112L242 R248 K249 E250L242-D246 PolarHBondContact O-N 3.19Å; D246-R248 PolarHBondContact O-N 3.48Å; D246-K249 CarbonylContact O-C 3.46Å; D246-K249 WeakPolarHBondContact O-CA 3.47Å; D246-K249 WeakPolarHBondContact O-CB 3.47Å; D246-K249 PolarHBondContact O-N 3.06Å; D246-K249 VanDerWaalsContact OD1-CE 3.27Å; D246-K249 WeakPolarHBondContact OD1-CE 3.42Å; D246-K249 IonicContact OD1-NZ 2.77Å; D246-K249 PolarHBondContact OD1-NZ 3.37Å; D246-E250 PolarHBondContact O-N 3.02Å
247S61.4Low47Very low68 Ų68124.1 Ų124.148%0.47662%0.616SS.*THydrogen-bonded Turntrans-67.7-14.1167.1-63.60000114.1D243D243-S247 WeakPolarHBondContact O-CA 3.45Å; D243-S247 WeakPolarHBondContact O-CB 3.24Å; D243-S247 PolarHBondContact O-N 3.23Å; D243-S247 PolarHBondContact O-OG 3.08Å
248R53.3Low45.8Very low196 Ų196127.5 Ų127.574%0.7464%0.635SS**THydrogen-bonded Turntrans-93.8-8.3166.4-68.6172.4-146.4-156.92.5112.5D244 F245 D246D244-R248 VanDerWaalsContact O-CD 3.29Å; D244-R248 WeakPolarHBondContact O-CD 3.48Å; D244-R248 WeakPolarHBondContact O-CG 3.47Å; D244-R248 PolarHBondContact O-NE 3.32Å; F245-R248 CarbonylContact O-C 3.59Å; F245-R248 WeakPolarHBondContact O-CA 3.37Å; F245-R248 WeakPolarHBondContact O-CB 3.36Å; F245-R248 PolarHBondContact O-N 2.76Å; D246-R248 PolarHBondContact O-N 3.48Å
249K47.9Very low44.5Very low143 Ų143128.4 Ų128.462%0.62265%0.647SS**THydrogen-bonded Turntrans-98.8-29.8179.6-149.2169.693.7-154.80112.2F245 D246F245-K249 HydrophobicContact CE1-CD 4.42Å; F245-K249 PolarHBondContact O-N 3.04Å; F245-K249 VanDerWaalsContact O-N 3.16Å; D246-K249 CarbonylContact O-C 3.46Å; D246-K249 WeakPolarHBondContact O-CA 3.47Å; D246-K249 WeakPolarHBondContact O-CB 3.47Å; D246-K249 PolarHBondContact O-N 3.06Å; D246-K249 VanDerWaalsContact OD1-CE 3.27Å; D246-K249 WeakPolarHBondContact OD1-CE 3.42Å; D246-K249 IonicContact OD1-NZ 2.77Å; D246-K249 PolarHBondContact OD1-NZ 3.37Å
250E35.3Very low43.3Very low174 Ų174128.5 Ų128.581%0.81366%0.656SS**SBendtrans-87.54.7174.2-68.5-163.1134.800114.7D246D246-E250 PolarHBondContact O-N 3.02Å
251K39.8Very low41.8Very low173 Ų173133.5 Ų133.575%0.75267%0.671SS**SBendtrans-102.6103.8169.1-86178.6177.2167.40111
252C33.7Very low40.2Very low117 Ų117133.8 Ų133.879%0.79168%0.682SS**  trans8863.8177.5-54.70000116.5
253E26.3Very low38.7Very low173 Ų173132.3 Ų132.381%0.80869%0.689SS**  -59.9147.9124.1-64-165.7127.400109.2
254L28.7Very low37.2Very low124 Ų124133.4 Ų133.465%0.64970%0.695SS**  trans61.1128.5-175.4-65.171.9000113.9
255Y27.7Very low36.1Very low191 Ų191137.2 Ų137.275%0.74971%0.708SS**  cis-155.1160.3-11.4-105.9-61.5000106
256N26.1Very low35Very low165 Ų165137 Ų13788%0.88272%0.721SS**  -165.1118.9127.3-102.1-22.4000111.7
257S26.5Very low34.4Very low84 Ų84139.8 Ų139.859%0.58775%0.746SS**  trans-96.8142157.245.40000108.8
258N25.5Very low33.4Very low155 Ų155144.4 Ų144.483%0.82976%0.76SS**  trans89.9159.8161.7-44.8-46.1000119.8
259A28.6Very low32.8Very low89 Ų89142.3 Ų142.374%0.73676%0.758SS**  trans85.565162.800000121.7
260S27.9Very low31.7Very low104 Ų104142.9 Ų142.973%0.72777%0.768SS**  40.5132.6124.863.40000124.1
261R29Very low31.2Very low239 Ų239140.5 Ų140.590%0.90277%0.77SS**  trans48.4117.5145.2-60.7178.5176.6-178-1.6117.1
262T27.3Very low30.5Very low138 Ų138138.2 Ų138.285%0.84777%0.773SS**  cis-147-172.734.662.30000110.3
263G27.5Very low29.5Very low62 Ų62140.9 Ų140.964%0.63978%0.779SS**  cis99.1148.1-0.400000115.1
264D30.6Very low29Very low123 Ų123139.8 Ų139.866%0.65878%0.778SS**  cis-165.4125.6-9.3-158.2-162.7000113.6
265K38Very low29Very low174 Ų174140.7 Ų140.776%0.75779%0.789SS**  trans62.7-175.2161.2-65150.3-164.7144.30118.1
266S38Very low30Very low120 Ų120139.5 Ų139.584%0.83980%0.795SS**  trans-93.20-140.1-9.50000120.3
267S42.4Very low31.4Very low123 Ų123139.6 Ų139.686%0.8680%0.796SS**  000-580000127.1
268E41.3Very low32.3Very low166 Ų166142.7 Ų142.778%0.77681%0.811SS**  000-77.4-77.357.400136.2
269Q40Very low33.3Very low151 Ų151140.9 Ų140.971%0.70681%0.81SS**  000-59-170.823.100138.8
270L26.4Very low34.2Very low156 Ų156144 Ų14482%0.81782%0.821SS**  000-67.8160000135.6
271S25Very low35Very low124 Ų124146.6 Ų146.687%0.86783%0.826SS**  000-62.60000129.7
272P24.8Very low35.8Very low125 Ų125140.2 Ų140.281%0.81281%0.81SS**  00044.2-23.4000129.2
273N11.4Very low37.1Very low172 Ų172142.9 Ų142.992%0.9281%0.81SS**  000-119.3-88.4000128.6
274L15.7Very low38.7Very low151 Ų151142.7 Ų142.779%0.79180%0.795SS**  00079.1-177.7000129
275T30.1Very low40.1Very low143 Ų143144.9 Ų144.988%0.87780%0.798SS**  00036.10000131.2
276L49.1Very low40.8Very low166 Ų166141 Ų14187%0.86980%0.799SS**  000-68.1167.3000138.7
277N53.8Low41.8Very low167 Ų167139 Ų13989%0.89378%0.781SS**  000-116.3-91.3000129.6
278T46.6Very low42.5Very low149 Ų149136.4 Ų136.491%0.91476%0.757SS**  000-14.80000128.9
279S47Very low43.6Very low116 Ų116133.5 Ų133.581%0.81175%0.746SS**  00064.20000131.8
280T46.5Very low44.4Very low155 Ų155134.8 Ų134.895%0.95175%0.746SS**  00052.60000137.6
281D44.4Very low46Very low159 Ų159132.4 Ų132.485%0.8573%0.732SS**  01690-151.410.3000127.9F283D281-F283 PolarHBondContact O-N 3.1Å; D281-F283 VanDerWaalsContact O-N 3.16Å
282D46.1Very low48.1Very low105 Ų105132.4 Ų132.456%0.56172%0.716SS**SBendtrans14.228.1-173.8-141.923.5000126.9N284D282-N284 PolarHBondContact O-N 3.46Å; D282-N284 WeakPolarHBondContact OD1-CB 3.45Å; D282-N284 PolarHBondContact OD1-ND2 2.86Å
283F55.5Low49.9Very low193 Ų193133.6 Ų133.685%0.84671%0.711SS**  trans-8443.1159.1-153.9-101.4000113.8D281D281-F283 PolarHBondContact O-N 3.1Å; D281-F283 VanDerWaalsContact O-N 3.16Å
284N60.4Low52.5Low59 Ų59129 Ų12932%0.31669%0.686SS.*  trans-86.7-52.7-161.3-77.8-57.9000117.4D282 A286 T287 M288D282-N284 PolarHBondContact O-N 3.46Å; D282-N284 WeakPolarHBondContact OD1-CB 3.45Å; D282-N284 PolarHBondContact OD1-ND2 2.86Å; N284-A286 PolarHBondContact O-N 2.91Å; N284-T287 PolarHBondContact O-OG1 2.64Å; N284-M288 HydrophobicContact CB-CE 3.89Å; N284-M288 HydrophobicContact CB-CG 4.19Å; N284-M288 HydrophobicContact CB-SD 4.17Å; N284-M288 VanDerWaalsContact O-CB 3.25Å; N284-M288 WeakPolarHBondContact O-CB 3.38Å; N284-M288 WeakPolarHBondContact O-CG 3.38Å; N284-M288 PolarHBondContact O-N 2.93Å
285K59.1Low55.1Low169 Ų169126.7 Ų126.774%0.73567%0.67SS**THydrogen-bonded Turntrans-74.7-31.1-133.7-110.3164.4-174.4153.60117.6
286A53.7Low56.9Low92 Ų92127.3 Ų127.376%0.7666%0.661SS**THydrogen-bonded Turntrans-82.3-49.8-179.600000112.4N284 M288 N289N284-A286 PolarHBondContact O-N 2.91Å; A286-M288 PolarHBondContact O-N 2.79Å; A286-N289 PolarHBondContact O-N 3.26Å
287T57.9Low57.3Low77 Ų77127.5 Ų127.547%0.47266%0.655SS.*Hα-helixtrans-62.4-28.5175.346.50000112N284 N289 Y290 M291N284-T287 PolarHBondContact O-OG1 2.64Å; T287-N289 VanDerWaalsContact C-N 3.26Å; T287-N289 PolarHBondContact O-N 3.03Å; T287-N289 VanDerWaalsContact O-N 3.15Å; T287-Y290 PolarHBondContact O-N 3.22Å; T287-M291 WeakPolarHBondContact O-CB 3.44Å; T287-M291 VanDerWaalsContact O-CG 3.25Å; T287-M291 WeakPolarHBondContact O-CG 3.17Å; T287-M291 PolarHBondContact O-N 3.49Å
288M58.6Low57.8Low70 Ų70127.4 Ų127.435%0.34564%0.642SS.*Hα-helixtrans-49.3-37.6176-109.7-161.5-177.800114.9N284 A286 K292N284-M288 HydrophobicContact CB-CE 3.89Å; N284-M288 HydrophobicContact CB-CG 4.19Å; N284-M288 HydrophobicContact CB-SD 4.17Å; N284-M288 VanDerWaalsContact O-CB 3.25Å; N284-M288 WeakPolarHBondContact O-CB 3.38Å; N284-M288 WeakPolarHBondContact O-CG 3.38Å; N284-M288 PolarHBondContact O-N 2.93Å; A286-M288 PolarHBondContact O-N 2.79Å; M288-K292 WeakPolarHBondContact O-CB 3.45Å; M288-K292 VanDerWaalsContact O-CG 3.23Å; M288-K292 WeakPolarHBondContact O-CG 3.45Å; M288-K292 PolarHBondContact O-N 2.64Å
289N63Low58.7Low104 Ų104124.8 Ų124.856%0.55662%0.619SS**Hα-helixtrans-77.4-31.9-175.9-78.4-16.6000112.8A286 T287A286-N289 PolarHBondContact O-N 3.26Å; T287-N289 VanDerWaalsContact C-N 3.26Å; T287-N289 PolarHBondContact O-N 3.03Å; T287-N289 VanDerWaalsContact O-N 3.15Å
290Y56.9Low59.8Low179 Ų179128 Ų12870%0.70261%0.614SS**Hα-helixtrans-71.6-44.6169.3-170.4-106.7000110.9T287 K292 Q293 I294T287-Y290 PolarHBondContact O-N 3.22Å; Y290-K292 VanDerWaalsContact C-N 3.31Å; Y290-K292 PolarHBondContact O-N 3.02Å; Y290-Q293 PolarHBondContact O-N 2.68Å; Y290-I294 HydrophobicContact CD1-CD1 3.94Å; Y290-I294 HydrophobicContact CE1-CD1 3.54Å; Y290-I294 PolarHBondContact O-N 3.12Å
291M61.2Low61Low106 Ų106129.7 Ų129.752%0.52260%0.603SS.*Hα-helixtrans-52.7-44.4172.5-72.4-83.4-154.700112.2T287 Q293 I294 H295T287-M291 WeakPolarHBondContact O-CB 3.44Å; T287-M291 VanDerWaalsContact O-CG 3.25Å; T287-M291 WeakPolarHBondContact O-CG 3.17Å; T287-M291 PolarHBondContact O-N 3.49Å; M291-Q293 PolarHBondContact O-N 2.79Å; M291-I294 PolarHBondContact O-N 3.49Å; M291-H295 WeakPolarHBondContact O-CB 3.44Å; M291-H295 PolarHBondContact O-CD2 3.48Å; M291-H295 PolarHBondContact O-N 3.14Å
292K68.9Low62.2Low123 Ų123130 Ų13054%0.53559%0.592SS.*Hα-helixtrans-59.5-39.2-179.9-82.6167.8-174.9170.20113.2M288 Y290 K296M288-K292 WeakPolarHBondContact O-CB 3.45Å; M288-K292 VanDerWaalsContact O-CG 3.23Å; M288-K292 WeakPolarHBondContact O-CG 3.45Å; M288-K292 PolarHBondContact O-N 2.64Å; Y290-K292 VanDerWaalsContact C-N 3.31Å; Y290-K292 PolarHBondContact O-N 3.02Å; K292-K296 PolarHBondContact O-N 2.87Å
293Q62.9Low63.7Low150 Ų150134 Ų13470%0.70160%0.599SS**Hα-helixtrans-68.4-42.3176.5-64.6-161.118.300111.9Y290 M291 K296 K297Y290-Q293 PolarHBondContact O-N 2.68Å; M291-Q293 PolarHBondContact O-N 2.79Å; Q293-K296 PolarHBondContact O-N 2.84Å; Q293-K297 PolarHBondContact O-N 3.37Å
294I65.9Low64.7Low76 Ų76132.4 Ų132.439%0.3959%0.588SS.*Hα-helixtrans-63.7-45.5175.4-68.1176.6000110.6Y290 M291 K296 K297 R298Y290-I294 HydrophobicContact CD1-CD1 3.94Å; Y290-I294 HydrophobicContact CE1-CD1 3.54Å; Y290-I294 PolarHBondContact O-N 3.12Å; M291-I294 PolarHBondContact O-N 3.49Å; I294-K296 VanDerWaalsContact C-N 3.35Å; I294-K296 PolarHBondContact O-N 3.25Å; I294-K297 PolarHBondContact O-N 2.73Å; I294-K297 VanDerWaalsContact O-N 3.17Å; I294-R298 WeakPolarHBondContact O-CB 3.32Å; I294-R298 PolarHBondContact O-N 3.45Å
295H68.8Low65.5Low102 Ų102133.2 Ų133.247%0.47260%0.595SS.*Hα-helixtrans-59.3-40.8176.6-93-99.9000112.5M291 K297 R298 Q299M291-H295 WeakPolarHBondContact O-CB 3.44Å; M291-H295 PolarHBondContact O-CD2 3.48Å; M291-H295 PolarHBondContact O-N 3.14Å; H295-K297 VanDerWaalsContact C-N 3.29Å; H295-K297 PolarHBondContact O-N 3.02Å; H295-R298 PolarHBondContact O-N 2.86Å; H295-R298 VanDerWaalsContact O-N 3.17Å; H295-Q299 VanDerWaalsContact O-CB 3.31Å; H295-Q299 WeakPolarHBondContact O-CB 3.44Å; H295-Q299 PolarHBondContact O-N 3.36Å
296K67.8Low66.3Low156 Ų156129.9 Ų129.968%0.67858%0.584SS**Hα-helixtrans-62.7-33.5177.6-162.7170.8-175.6176.20112.6K292 Q293 I294K292-K296 PolarHBondContact O-N 2.87Å; Q293-K296 PolarHBondContact O-N 2.84Å; I294-K296 VanDerWaalsContact C-N 3.35Å; I294-K296 PolarHBondContact O-N 3.25Å
297K59.2Low67.5Low170 Ų170131.2 Ų131.274%0.73958%0.575SS**Hα-helixtrans-75.5-42.6170.1-74.7-176.4176.4177.70112.4Q293 I294 H295 R300 R301Q293-K297 PolarHBondContact O-N 3.37Å; I294-K297 PolarHBondContact O-N 2.73Å; I294-K297 VanDerWaalsContact O-N 3.17Å; H295-K297 VanDerWaalsContact C-N 3.29Å; H295-K297 PolarHBondContact O-N 3.02Å; K297-R300 PolarHBondContact O-N 3.16Å; K297-R301 PolarHBondContact O-N 2.67Å
298R62.5Low68.3Low165 Ų165131.6 Ų131.662%0.62358%0.575SS**Hα-helixtrans-66.7-37.7-177.4-151.6171.6-168.7174.33.4112.4I294 H295 R300 R301 R302I294-R298 WeakPolarHBondContact O-CB 3.32Å; I294-R298 PolarHBondContact O-N 3.45Å; H295-R298 PolarHBondContact O-N 2.86Å; H295-R298 VanDerWaalsContact O-N 3.17Å; R298-R300 PolarHBondContact O-N 2.75Å; R298-R301 PolarHBondContact O-N 3.08Å; R298-R301 VanDerWaalsContact O-N 3.12Å; R298-R302 PolarHBondContact O-N 2.9Å
299Q67.1Low69.2Low94 Ų94132.8 Ų132.844%0.43958%0.582SS.*Hα-helixtrans-67.2-34.9177.5-156.872.7-16.100112.5H295 R301 R302 R303H295-Q299 VanDerWaalsContact O-CB 3.31Å; H295-Q299 WeakPolarHBondContact O-CB 3.44Å; H295-Q299 PolarHBondContact O-N 3.36Å; Q299-R301 VanDerWaalsContact C-N 3.25Å; Q299-R301 PolarHBondContact O-N 3.46Å; Q299-R302 PolarHBondContact O-N 2.63Å; Q299-R303 PolarHBondContact O-N 3.03Å
300R70.2Confident70Confident184 Ų184133 Ų13369%0.69458%0.582SS**Hα-helixtrans-71-13.5172.3-77-177.3169.5-173-3.9114.2K297 R298K297-R300 PolarHBondContact O-N 3.16Å; R298-R300 PolarHBondContact O-N 2.75Å
301R70.1Confident71.1Confident191 Ų191130.6 Ų130.672%0.72158%0.577SS**Hα-helixtrans-88.9-49.6166.3-80.2-175.4169.2171.4-3.9111.1K297 R298 Q299 R303 R304 V305K297-R301 PolarHBondContact O-N 2.67Å; R298-R301 PolarHBondContact O-N 3.08Å; R298-R301 VanDerWaalsContact O-N 3.12Å; Q299-R301 VanDerWaalsContact C-N 3.25Å; Q299-R301 PolarHBondContact O-N 3.46Å; R301-R303 VanDerWaalsContact C-N 3.31Å; R301-R303 PolarHBondContact O-N 3.05Å; R301-R304 PolarHBondContact O-N 3.29Å; R301-V305 PolarHBondContact O-N 3.49Å
302R70.7Confident72Confident166 Ų166128.1 Ų128.163%0.62657%0.574SS**Hα-helixtrans-53.6-42.2177.6-90.9-174.1167.4175.4-5.2113.4R298 Q299 R304 V305 I306R298-R302 PolarHBondContact O-N 2.9Å; Q299-R302 PolarHBondContact O-N 2.63Å; R302-R304 VanDerWaalsContact C-N 3.28Å; R302-R304 PolarHBondContact O-N 2.91Å; R302-V305 PolarHBondContact O-N 3.27Å; R302-I306 WeakPolarHBondContact O-CG1 3.35Å; R302-I306 PolarHBondContact O-N 3.15Å; R302-I306 VanDerWaalsContact O-N 3.08Å
303R77.6Confident72.7Confident188 Ų188126.6 Ų126.671%0.70957%0.571SS**Hα-helixtrans-67.4-19.7178.5-78.1-170.6175.7-176.2-1.6115.2Q299 R301 M307Q299-R303 PolarHBondContact O-N 3.03Å; R301-R303 VanDerWaalsContact C-N 3.31Å; R301-R303 PolarHBondContact O-N 3.05Å; R303-M307 WeakPolarHBondContact O-CG 3.28Å
304R76.3Confident73.6Confident160 Ų160125.2 Ų125.260%0.60457%0.565SS**Hα-helixtrans-79.1-58.9169.2-95.9-180-75.2177-7.7110R301 R302 I306 M307 D308R301-R304 PolarHBondContact O-N 3.29Å; R302-R304 VanDerWaalsContact C-N 3.28Å; R302-R304 PolarHBondContact O-N 2.91Å; R304-I306 PolarHBondContact O-N 3.36Å; R304-M307 WeakPolarHBondContact O-CA 3.44Å; R304-M307 WeakPolarHBondContact O-CB 3.18Å; R304-M307 PolarHBondContact O-N 3.09Å; R304-D308 VanDerWaalsContact C-CG 3.42Å; R304-D308 PolarHBondContact O-N 3.28Å; R304-D308 VanDerWaalsContact O-OD1 3.08Å
305V76.8Confident74.6Confident76 Ų76126.2 Ų126.246%0.46157%0.57SS.*Hα-helixtrans-50-35-178.5179.20000113.4R301 R302 D308 I309R301-V305 PolarHBondContact O-N 3.49Å; R302-V305 PolarHBondContact O-N 3.27Å; V305-D308 VanDerWaalsContact CA-OD2 3.24Å; V305-D308 WeakPolarHBondContact CA-OD2 3.2Å; V305-D308 PolarHBondContact N-OD2 2.84Å; V305-I309 HydrophobicContact CG1-CD1 3.84Å; V305-I309 WeakPolarHBondContact O-CB 3.34Å; V305-I309 WeakPolarHBondContact O-CD1 3.27Å; V305-I309 WeakPolarHBondContact O-CG1 3.01Å; V305-I309 PolarHBondContact O-N 3.39Å; V305-I309 VanDerWaalsContact O-N 3.09Å
306I76.4Confident75.2Confident99 Ų99128.5 Ų128.551%0.50857%0.574SS.*Hα-helixtrans-71.5-37.5175.9-67.6166.9000112.9R302 R304 L310R302-I306 WeakPolarHBondContact O-CG1 3.35Å; R302-I306 PolarHBondContact O-N 3.15Å; R302-I306 VanDerWaalsContact O-N 3.08Å; R304-I306 PolarHBondContact O-N 3.36Å; I306-L310 HydrophobicContact CG2-CD1 4.32Å; I306-L310 VanDerWaalsContact O-CG 3.32Å; I306-L310 WeakPolarHBondContact O-CG 3.47Å; I306-L310 PolarHBondContact O-N 3.19Å
307M79.1Confident75.9Confident119 Ų119127.6 Ų127.659%0.58657%0.573SS**Hα-helixtrans-68.9-46.7172.4-64-62.1-61.300110.5R303 R304 I309 L310 E311R303-M307 WeakPolarHBondContact O-CG 3.28Å; R304-M307 WeakPolarHBondContact O-CA 3.44Å; R304-M307 WeakPolarHBondContact O-CB 3.18Å; R304-M307 PolarHBondContact O-N 3.09Å; M307-I309 PolarHBondContact O-N 3.48Å; M307-L310 PolarHBondContact O-N 2.6Å; M307-E311 PolarHBondContact O-N 2.94Å
308D75.4Confident76.9Confident85 Ų85124.6 Ų124.646%0.45556%0.561SS.*Hα-helixtrans-53.9-39.4178.7-46.1-24.2000111.1R304 V305 A312R304-D308 VanDerWaalsContact C-CG 3.42Å; R304-D308 PolarHBondContact O-N 3.28Å; R304-D308 VanDerWaalsContact O-OD1 3.08Å; V305-D308 VanDerWaalsContact CA-OD2 3.24Å; V305-D308 WeakPolarHBondContact CA-OD2 3.2Å; V305-D308 PolarHBondContact N-OD2 2.84Å; D308-A312 WeakPolarHBondContact O-CB 3.46Å; D308-A312 PolarHBondContact O-N 3.15Å
309I76.2Confident78Confident96 Ų96121.1 Ų121.149%0.49255%0.552SS.*Hα-helixtrans-72.9-34.7176.5-72.4167.2000113V305 M307 N313V305-I309 HydrophobicContact CG1-CD1 3.84Å; V305-I309 WeakPolarHBondContact O-CB 3.34Å; V305-I309 WeakPolarHBondContact O-CD1 3.27Å; V305-I309 WeakPolarHBondContact O-CG1 3.01Å; V305-I309 PolarHBondContact O-N 3.39Å; V305-I309 VanDerWaalsContact O-N 3.09Å; M307-I309 PolarHBondContact O-N 3.48Å; I309-N313 PolarHBondContact O-N 3.02Å; I309-N313 PolarHBondContact O-ND2 3.24Å
310L79.6Confident79Confident108 Ų108119.9 Ų119.957%0.56555%0.548SS*.Hα-helixtrans-73.4-40.8178.5-73.2169.1000111.5I306 M307 N313 H314I306-L310 HydrophobicContact CG2-CD1 4.32Å; I306-L310 VanDerWaalsContact O-CG 3.32Å; I306-L310 WeakPolarHBondContact O-CG 3.47Å; I306-L310 PolarHBondContact O-N 3.19Å; M307-L310 PolarHBondContact O-N 2.6Å; L310-N313 PolarHBondContact O-N 2.92Å; L310-H314 PolarHBondContact O-N 2.83Å
311E79.8Confident79.6Confident128 Ų128119.3 Ų119.360%0.59855%0.546SS*.Hα-helixtrans-64-45.7177.8-168.8165.7-170.600111.4M307 N313 H314 I315M307-E311 PolarHBondContact O-N 2.94Å; E311-N313 VanDerWaalsContact C-N 3.3Å; E311-N313 PolarHBondContact O-N 3.32Å; E311-H314 PolarHBondContact O-N 3.24Å; E311-H314 VanDerWaalsContact O-N 3.13Å; E311-I315 PolarHBondContact O-N 3.5Å
312A80.7Confident80.4Confident55 Ų55113.4 Ų113.446%0.45553%0.534SS..Hα-helixtrans-59.8-35.2175.400000113.8D308 R316D308-A312 WeakPolarHBondContact O-CB 3.46Å; D308-A312 PolarHBondContact O-N 3.15Å; A312-R316 PolarHBondContact O-N 3.13Å
313N83.4Confident81.1Confident90 Ų90110.4 Ų110.448%0.48153%0.527SS..Hα-helixtrans-70.3-32.7176.6-85.6-68.2000112.8I309 L310 E311 Q317I309-N313 PolarHBondContact O-N 3.02Å; I309-N313 PolarHBondContact O-ND2 3.24Å; L310-N313 PolarHBondContact O-N 2.92Å; E311-N313 VanDerWaalsContact C-N 3.3Å; E311-N313 PolarHBondContact O-N 3.32Å; N313-Q317 PolarHBondContact O-N 3.05Å
314H82.8Confident81.6Confident122 Ų122106 Ų10657%0.56551%0.514SS*.Hα-helixtrans-71.1-42.9177.8-159-52000111.4L310 E311 R316 Q317 E318L310-H314 PolarHBondContact O-N 2.83Å; E311-H314 PolarHBondContact O-N 3.24Å; E311-H314 VanDerWaalsContact O-N 3.13Å; H314-R316 VanDerWaalsContact C-N 3.31Å; H314-R316 PolarHBondContact O-N 2.88Å; H314-Q317 PolarHBondContact O-N 3.31Å; H314-E318 IonicContact CE1-OE2 2.65Å; H314-E318 IonicContact ND1-OE2 2.67Å; H314-E318 PolarHBondContact O-N 3Å
315I85.4Confident81.9Confident96 Ų96103.2 Ų103.249%0.49251%0.51SS..Hα-helixtrans-56.7-46.3176.3-65.8167.3000110.4E311 Q317 E318 E319E311-I315 PolarHBondContact O-N 3.5Å; I315-Q317 VanDerWaalsContact C-N 3.26Å; I315-Q317 PolarHBondContact O-N 2.75Å; I315-E318 WeakPolarHBondContact O-CB 3.46Å; I315-E318 PolarHBondContact O-N 3.23Å; I315-E319 PolarHBondContact O-N 3.47Å
316R82.3Confident82.2Confident151 Ų151105.9 Ų105.957%0.5752%0.519SS*.Hα-helixtrans-63.5-26.2-179.5-173.7163.4-176.970.8-0.5114.4A312 H314 E319 I320A312-R316 PolarHBondContact O-N 3.13Å; H314-R316 VanDerWaalsContact C-N 3.31Å; H314-R316 PolarHBondContact O-N 2.88Å; R316-E319 IonicContact NH1-OE2 2.61Å; R316-I320 HydrophobicContact CG-CD1 4.33Å; R316-I320 WeakPolarHBondContact O-CD1 3.42Å; R316-I320 VanDerWaalsContact O-CG1 3.32Å; R316-I320 WeakPolarHBondContact O-CG1 3.37Å; R316-I320 PolarHBondContact O-N 3.41Å
317Q81.6Confident82.4Confident137 Ų137106.3 Ų106.364%0.6452%0.519SS*.Hα-helixtrans-76.1-33.8173.7-69.2-175.512.900111.9N313 H314 I315 R321N313-Q317 PolarHBondContact O-N 3.05Å; H314-Q317 PolarHBondContact O-N 3.31Å; I315-Q317 VanDerWaalsContact C-N 3.26Å; I315-Q317 PolarHBondContact O-N 2.75Å; Q317-R321 WeakPolarHBondContact O-CB 3.42Å; Q317-R321 PolarHBondContact O-N 2.99Å; Q317-R321 VanDerWaalsContact O-N 3.1Å
318E81.8Confident82.5Confident106 Ų106108.9 Ų108.950%0.49552%0.522SS..Hα-helixtrans-65.6-43173.4-13467.2-113.800111.3H314 I315 R321 S322H314-E318 IonicContact CE1-OE2 2.65Å; H314-E318 IonicContact ND1-OE2 2.67Å; H314-E318 PolarHBondContact O-N 3Å; I315-E318 WeakPolarHBondContact O-CB 3.46Å; I315-E318 PolarHBondContact O-N 3.23Å; E318-R321 WeakPolarHBondContact O-CB 3.13Å; E318-R321 PolarHBondContact O-N 3.12Å; E318-S322 PolarHBondContact O-N 3.38Å
319E84.6Confident82.7Confident92 Ų92111.9 Ų111.943%0.4354%0.537SS..Hα-helixtrans-53.7-57.8173.8-69.3176.1154.900111.2I315 R316 R321 S322 E323I315-E319 PolarHBondContact O-N 3.47Å; R316-E319 IonicContact NH1-OE2 2.61Å; E319-R321 PolarHBondContact O-N 3.22Å; E319-S322 PolarHBondContact O-N 3.1Å; E319-S322 PolarHBondContact O-OG 2.97Å; E319-E323 PolarHBondContact O-N 2.71Å
320I88.4Confident82.7Confident69 Ų69111.7 Ų111.735%0.35454%0.544SS..Hα-helixtrans-58-36180-67166.2000111.3R316 Q324R316-I320 HydrophobicContact CG-CD1 4.33Å; R316-I320 WeakPolarHBondContact O-CD1 3.42Å; R316-I320 VanDerWaalsContact O-CG1 3.32Å; R316-I320 WeakPolarHBondContact O-CG1 3.37Å; R316-I320 PolarHBondContact O-N 3.41Å; I320-Q324 VanDerWaalsContact O-CG 3.32Å; I320-Q324 WeakPolarHBondContact O-CG 3.37Å; I320-Q324 PolarHBondContact O-N 2.89Å; I320-Q324 VanDerWaalsContact O-N 3.12Å
321R83.2Confident82.6Confident172 Ų172115.3 Ų115.365%0.64955%0.55SS**Hα-helixtrans-67.1-37.9176.9-164.5-178.2-169.6105.82111.9Q317 E318 E319 I325Q317-R321 WeakPolarHBondContact O-CB 3.42Å; Q317-R321 PolarHBondContact O-N 2.99Å; Q317-R321 VanDerWaalsContact O-N 3.1Å; E318-R321 WeakPolarHBondContact O-CB 3.13Å; E318-R321 PolarHBondContact O-N 3.12Å; E319-R321 PolarHBondContact O-N 3.22Å; R321-I325 PolarHBondContact O-N 2.92Å
322S86Confident82.4Confident67 Ų67114 Ų11447%0.46954%0.544SS..Hα-helixtrans-71-41.1176.476.10000112.5E318 E319 Q324 I325 M326E318-S322 PolarHBondContact O-N 3.38Å; E319-S322 PolarHBondContact O-N 3.1Å; E319-S322 PolarHBondContact O-OG 2.97Å; S322-Q324 VanDerWaalsContact C-N 3.31Å; S322-Q324 PolarHBondContact O-N 3.3Å; S322-I325 PolarHBondContact O-N 3.39Å; S322-I325 VanDerWaalsContact O-N 3.09Å; S322-M326 PolarHBondContact O-N 3.24Å; S322-M326 VanDerWaalsContact O-N 3.08Å
323E86.4Confident82.6Confident103 Ų103114.1 Ų114.148%0.48154%0.542SS..Hα-helixtrans-57.8-42.7173.5-70.2-176.4154.300111.5E319 I325 M326 Q327E319-E323 PolarHBondContact O-N 2.71Å; E323-I325 PolarHBondContact O-N 3.49Å; E323-M326 WeakPolarHBondContact O-CB 3.44Å; E323-M326 PolarHBondContact O-N 3.4Å; E323-Q327 WeakPolarHBondContact O-CB 3.35Å; E323-Q327 WeakPolarHBondContact O-CG 3.33Å; E323-Q327 PolarHBondContact O-N 3.07Å
324Q87.2Confident82.6Confident96 Ų96118.3 Ų118.345%0.44956%0.558SS.*Hα-helixtrans-65.1-23.1177.9-74.7178.924.700114.1I320 S322 R328I320-Q324 VanDerWaalsContact O-CG 3.32Å; I320-Q324 WeakPolarHBondContact O-CG 3.37Å; I320-Q324 PolarHBondContact O-N 2.89Å; I320-Q324 VanDerWaalsContact O-N 3.12Å; S322-Q324 VanDerWaalsContact C-N 3.31Å; S322-Q324 PolarHBondContact O-N 3.3Å; Q324-R328 WeakPolarHBondContact O-CD 3.41Å; Q324-R328 VanDerWaalsContact O-CG 3.24Å; Q324-R328 WeakPolarHBondContact O-CG 3.26Å; Q324-R328 PolarHBondContact O-NE 2.85Å
325I83.7Confident82.9Confident100 Ų100118.6 Ų118.651%0.51356%0.563SS.*Hα-helixtrans-79.5-45172.4-64.9168.8000109.4R321 S322 E323 Q327 R328 L329R321-I325 PolarHBondContact O-N 2.92Å; S322-I325 PolarHBondContact O-N 3.39Å; S322-I325 VanDerWaalsContact O-N 3.09Å; E323-I325 PolarHBondContact O-N 3.49Å; I325-Q327 VanDerWaalsContact C-N 3.34Å; I325-Q327 PolarHBondContact O-N 2.8Å; I325-R328 WeakPolarHBondContact O-CB 3.49Å; I325-R328 PolarHBondContact O-N 3.45Å; I325-L329 HydrophobicContact CG2-CD1 4.21Å; I325-L329 PolarHBondContact O-N 3.14Å; I325-L329 VanDerWaalsContact O-N 3.08Å
326M82.5Confident83Confident132 Ų132119 Ų11965%0.6556%0.563SS**Hα-helixtrans-56.9-46.6175.3-165-168.8-57.400111.6S322 E323 R328 L329 S330S322-M326 PolarHBondContact O-N 3.24Å; S322-M326 VanDerWaalsContact O-N 3.08Å; E323-M326 WeakPolarHBondContact O-CB 3.44Å; E323-M326 PolarHBondContact O-N 3.4Å; M326-R328 PolarHBondContact O-N 3.23Å; M326-R328 VanDerWaalsContact O-N 3.14Å; M326-L329 PolarHBondContact O-N 3.2Å; M326-S330 PolarHBondContact O-N 3.4Å; M326-S330 PolarHBondContact O-OG 2.94Å
327Q80.1Confident83.2Confident109 Ų109114.1 Ų114.151%0.50955%0.552SS.*Hα-helixtrans-67.2-5.6175.7-71.1-177.513.700115.1E323 I325 R331E323-Q327 WeakPolarHBondContact O-CB 3.35Å; E323-Q327 WeakPolarHBondContact O-CG 3.33Å; E323-Q327 PolarHBondContact O-N 3.07Å; I325-Q327 VanDerWaalsContact C-N 3.34Å; I325-Q327 PolarHBondContact O-N 2.8Å; Q327-R331 WeakPolarHBondContact O-CD 3.44Å; Q327-R331 WeakPolarHBondContact O-CG 3.17Å; Q327-R331 PolarHBondContact O-NE 3.46Å
328R82.2Confident83.6Confident173 Ų173115.5 Ų115.565%0.65355%0.552SS**Hα-helixtrans-98.7-37.6170.5-72170.5-169.2-148.72.9111.2Q324 I325 M326 R331Q324-R328 WeakPolarHBondContact O-CD 3.41Å; Q324-R328 VanDerWaalsContact O-CG 3.24Å; Q324-R328 WeakPolarHBondContact O-CG 3.26Å; Q324-R328 PolarHBondContact O-NE 2.85Å; I325-R328 WeakPolarHBondContact O-CB 3.49Å; I325-R328 PolarHBondContact O-N 3.45Å; M326-R328 PolarHBondContact O-N 3.23Å; M326-R328 VanDerWaalsContact O-N 3.14Å; R328-R331 PolarHBondContact O-N 2.63Å
329L78.7Confident84Confident148 Ų148115 Ų11578%0.77555%0.551SS**Hα-helixtrans-71.6-29.8175.5-66.5172.8000112.8I325 M326 R331I325-L329 HydrophobicContact CG2-CD1 4.21Å; I325-L329 PolarHBondContact O-N 3.14Å; I325-L329 VanDerWaalsContact O-N 3.08Å; M326-L329 PolarHBondContact O-N 3.2Å; L329-R331 VanDerWaalsContact C-N 3.25Å; L329-R331 PolarHBondContact O-N 3.07Å
330S76Confident84.2Confident91 Ų91113 Ų11364%0.63655%0.548SS*.THydrogen-bonded Turntrans-79.93.1176.463.80000114.9M326 Q332M326-S330 PolarHBondContact O-N 3.4Å; M326-S330 PolarHBondContact O-OG 2.94Å; S330-Q332 PolarHBondContact O-N 3.24Å
331R77.8Confident84.3Confident184 Ų184113.5 Ų113.569%0.69455%0.553SS**  trans-82.995.6178.1-68.2178.9-174-147.6-6.7110.4Q327 R328 L329 S333Q327-R331 WeakPolarHBondContact O-CD 3.44Å; Q327-R331 WeakPolarHBondContact O-CG 3.17Å; Q327-R331 PolarHBondContact O-NE 3.46Å; R328-R331 PolarHBondContact O-N 2.63Å; L329-R331 VanDerWaalsContact C-N 3.25Å; L329-R331 PolarHBondContact O-N 3.07Å; R331-S333 PolarHBondContact O-N 3.05Å
332Q76.6Confident84.7Confident100 Ų100109.6 Ų109.647%0.46754%0.543SS..  trans-50.6134.1171.3-171178.143.100111.4S330 E336 S340S330-Q332 PolarHBondContact O-N 3.24Å; Q332-E336 HydrophobicContact CG-CB 3.43Å; Q332-E336 VanDerWaalsContact CG-CB 3.43Å; Q332-E336 PolarHBondContact NE2-O 3.23Å; Q332-S340 PolarHBondContact NE2-OG 3.4Å
333S84.1Confident85Confident59 Ų59111 Ų11141%0.41354%0.544SS..  trans-66.5152.3176178.80000111.6R331 L335 E336 S337R331-S333 PolarHBondContact O-N 3.05Å; S333-L335 PolarHBondContact O-N 3.34Å; S333-L335 VanDerWaalsContact O-N 3.15Å; S333-E336 WeakPolarHBondContact CB-OE2 3.28Å; S333-E336 PolarHBondContact N-OE2 3.48Å; S333-E336 PolarHBondContact O-N 2.7Å; S333-E336 VanDerWaalsContact O-N 3.08Å; S333-S337 WeakPolarHBondContact O-CB 3.41Å; S333-S337 PolarHBondContact O-N 3.04Å
334H83.9Confident85.2Confident177 Ų177111 Ų11182%0.81954%0.544SS*.Hα-helixtrans-57.4-30.5176.7-70.8-61.3000113.3R338H334-R338 WeakPolarHBondContact O-CB 3.39Å; H334-R338 PolarHBondContact O-N 2.83Å; H334-R338 VanDerWaalsContact O-N 3.08Å
335L89.1Confident85.4Confident128 Ų128111 Ų11167%0.6754%0.544SS*.Hα-helixtrans-70.9-46.4174.2-69.7176.4000111.8S333 S337 R338 I339S333-L335 PolarHBondContact O-N 3.34Å; S333-L335 VanDerWaalsContact O-N 3.15Å; L335-S337 VanDerWaalsContact C-N 3.34Å; L335-S337 PolarHBondContact O-N 2.7Å; L335-R338 PolarHBondContact O-N 3.23Å; L335-I339 VanDerWaalsContact O-CG1 3.3Å; L335-I339 WeakPolarHBondContact O-CG1 3.4Å; L335-I339 PolarHBondContact O-N 3.03Å
336E87.7Confident85.9Confident105 Ų105111 Ų11149%0.49154%0.544SS..Hα-helixtrans-63.1-42177.4-64.4170.4147.500111Q332 S333 I339 S340Q332-E336 HydrophobicContact CG-CB 3.43Å; Q332-E336 VanDerWaalsContact CG-CB 3.43Å; Q332-E336 PolarHBondContact NE2-O 3.23Å; S333-E336 WeakPolarHBondContact CB-OE2 3.28Å; S333-E336 PolarHBondContact N-OE2 3.48Å; S333-E336 PolarHBondContact O-N 2.7Å; S333-E336 VanDerWaalsContact O-N 3.08Å; E336-I339 PolarHBondContact O-N 2.82Å; E336-S340 PolarHBondContact O-N 2.94Å; E336-S340 PolarHBondContact O-OG 3.47Å
337S84.8Confident86.3Confident48 Ų48110.3 Ų110.334%0.33654%0.538SS..Hα-helixtrans-62.4-42.5176.1-1770000111.6S333 L335 S340 V341S333-S337 WeakPolarHBondContact O-CB 3.41Å; S333-S337 PolarHBondContact O-N 3.04Å; L335-S337 VanDerWaalsContact C-N 3.34Å; L335-S337 PolarHBondContact O-N 2.7Å; S337-S340 PolarHBondContact O-N 3.39Å; S337-V341 WeakPolarHBondContact O-CG2 3.23Å; S337-V341 PolarHBondContact O-N 3.36Å
338R91.3Very high86.9Confident167 Ų167111.4 Ų111.463%0.6354%0.543SS*.Hα-helixtrans-62.2-42.2172.3179.3175173.9157.81.9112.1H334 L335 V341 Q342H334-R338 WeakPolarHBondContact O-CB 3.39Å; H334-R338 PolarHBondContact O-N 2.83Å; H334-R338 VanDerWaalsContact O-N 3.08Å; L335-R338 PolarHBondContact O-N 3.23Å; R338-V341 PolarHBondContact O-N 3.36Å; R338-Q342 WeakPolarHBondContact O-CG 3.33Å; R338-Q342 PolarHBondContact O-N 3.1Å
339I90.5Very high87.4Confident96 Ų96108.9 Ų108.949%0.49254%0.538SS..Hα-helixtrans-63.8-42.1175.9-68.9163.2000110.5L335 E336 V341 Q342 L343L335-I339 VanDerWaalsContact O-CG1 3.3Å; L335-I339 WeakPolarHBondContact O-CG1 3.4Å; L335-I339 PolarHBondContact O-N 3.03Å; E336-I339 PolarHBondContact O-N 2.82Å; I339-V341 PolarHBondContact O-N 3.25Å; I339-Q342 PolarHBondContact O-N 2.87Å; I339-L343 HydrophobicContact CG2-CD1 3.9Å; I339-L343 HydrophobicContact CG2-CG 4.36Å; I339-L343 WeakPolarHBondContact O-CB 3.26Å; I339-L343 VanDerWaalsContact O-CG 3.31Å; I339-L343 WeakPolarHBondContact O-CG 3.31Å; I339-L343 PolarHBondContact O-N 3.14Å
340S88.8Confident88.2Confident50 Ų50108.5 Ų108.535%0.3553%0.53SS..Hα-helixtrans-59.8-44.4173.5-68.40000112.2Q332 E336 S337 L343 E344Q332-S340 PolarHBondContact NE2-OG 3.4Å; E336-S340 PolarHBondContact O-N 2.94Å; E336-S340 PolarHBondContact O-OG 3.47Å; S337-S340 PolarHBondContact O-N 3.39Å; S340-L343 PolarHBondContact O-N 2.91Å; S340-E344 WeakPolarHBondContact O-CB 3.48Å; S340-E344 PolarHBondContact O-N 3.47Å
341V90.6Very high89Confident78 Ų78107.4 Ų107.447%0.47352%0.523SS..Hα-helixtrans-62.9-43.5175.9170.90000111.5S337 R338 I339 E344 Q345S337-V341 WeakPolarHBondContact O-CG2 3.23Å; S337-V341 PolarHBondContact O-N 3.36Å; R338-V341 PolarHBondContact O-N 3.36Å; I339-V341 PolarHBondContact O-N 3.25Å; V341-E344 PolarHBondContact O-N 3.48Å; V341-Q345 WeakPolarHBondContact O-CG 3.42Å; V341-Q345 PolarHBondContact O-N 3.23Å
342Q91.1Very high89.8Confident91 Ų91101.6 Ų101.643%0.42551%0.508SS..Hα-helixtrans-66.1-38177.3-70-176.1-85.600112.3R338 I339 Q345 I346R338-Q342 WeakPolarHBondContact O-CG 3.33Å; R338-Q342 PolarHBondContact O-N 3.1Å; I339-Q342 PolarHBondContact O-N 2.87Å; Q342-Q345 PolarHBondContact O-N 2.79Å; Q342-I346 WeakPolarHBondContact O-CD1 3.02Å; Q342-I346 VanDerWaalsContact O-CG1 3.27Å; Q342-I346 WeakPolarHBondContact O-CG1 3.41Å; Q342-I346 PolarHBondContact O-N 3.15Å
343L92.9Very high90.6Very high96 Ų96102.4 Ų102.450%0.50351%0.514SS..Hα-helixtrans-66-37.6173.2-72.9170.8000111.9I339 S340 I346 K347I339-L343 HydrophobicContact CG2-CD1 3.9Å; I339-L343 HydrophobicContact CG2-CG 4.36Å; I339-L343 WeakPolarHBondContact O-CB 3.26Å; I339-L343 VanDerWaalsContact O-CG 3.31Å; I339-L343 WeakPolarHBondContact O-CG 3.31Å; I339-L343 PolarHBondContact O-N 3.14Å; S340-L343 PolarHBondContact O-N 2.91Å; L343-I346 PolarHBondContact O-N 2.83Å; L343-K347 WeakPolarHBondContact O-CG 3.33Å; L343-K347 PolarHBondContact O-N 3.42Å
344E89.1Confident91Very high103 Ų103103.9 Ų103.948%0.48152%0.517SS..Hα-helixtrans-70.3-37.9176.4-147.263.4-146.500111.9S340 V341 K347 Q348S340-E344 WeakPolarHBondContact O-CB 3.48Å; S340-E344 PolarHBondContact O-N 3.47Å; V341-E344 PolarHBondContact O-N 3.48Å; E344-K347 WeakPolarHBondContact O-CB 3.38Å; E344-K347 PolarHBondContact O-N 3Å; E344-K347 WeakPolarHBondContact OE1-CD 3.28Å; E344-K347 IonicContact OE1-NZ 3.97Å; E344-K347 PolarHBondContact OE1-NZ 2.71Å; E344-K347 WeakPolarHBondContact OE2-CE 3.44Å; E344-K347 IonicContact OE2-NZ 2.6Å; E344-K347 PolarHBondContact OE2-NZ 3.39Å; E344-Q348 WeakPolarHBondContact O-CB 3.38Å; E344-Q348 PolarHBondContact O-N 3.43Å
345Q92.7Very high91.4Very high97 Ų97101.3 Ų101.345%0.45351%0.505SS..Hα-helixtrans-59.4-47.3170.4-74.9176.8-42.800111.2V341 Q342 K347 Q348 E349V341-Q345 WeakPolarHBondContact O-CG 3.42Å; V341-Q345 PolarHBondContact O-N 3.23Å; Q342-Q345 PolarHBondContact O-N 2.79Å; Q345-K347 VanDerWaalsContact C-N 3.32Å; Q345-K347 PolarHBondContact O-N 3.48Å; Q345-Q348 PolarHBondContact O-N 2.94Å; Q345-Q348 VanDerWaalsContact O-N 3.08Å; Q345-E349 WeakPolarHBondContact O-CB 3.35Å; Q345-E349 WeakPolarHBondContact O-CG 3.32Å; Q345-E349 PolarHBondContact O-N 3Å
346I92.7Very high91.6Very high100 Ų10099.7 Ų99.751%0.51350%0.497SS..Hα-helixtrans-63.6-35.7177.2-68.9164.3000111.9Q342 L343 K350Q342-I346 WeakPolarHBondContact O-CD1 3.02Å; Q342-I346 VanDerWaalsContact O-CG1 3.27Å; Q342-I346 WeakPolarHBondContact O-CG1 3.41Å; Q342-I346 PolarHBondContact O-N 3.15Å; L343-I346 PolarHBondContact O-N 2.83Å; I346-K350 VanDerWaalsContact O-CB 3.31Å; I346-K350 WeakPolarHBondContact O-CB 3.36Å; I346-K350 PolarHBondContact O-N 3.06Å
347K92.5Very high92Very high117 Ų117101.2 Ų101.251%0.50950%0.498SS..Hα-helixtrans-64.8-43.1170.5-71.3176.3-160165.90111.8L343 E344 Q345 K350 S351L343-K347 WeakPolarHBondContact O-CG 3.33Å; L343-K347 PolarHBondContact O-N 3.42Å; E344-K347 WeakPolarHBondContact O-CB 3.38Å; E344-K347 PolarHBondContact O-N 3Å; E344-K347 WeakPolarHBondContact OE1-CD 3.28Å; E344-K347 IonicContact OE1-NZ 3.97Å; E344-K347 PolarHBondContact OE1-NZ 2.71Å; E344-K347 WeakPolarHBondContact OE2-CE 3.44Å; E344-K347 IonicContact OE2-NZ 2.6Å; E344-K347 PolarHBondContact OE2-NZ 3.39Å; Q345-K347 VanDerWaalsContact C-N 3.32Å; Q345-K347 PolarHBondContact O-N 3.48Å; K347-K350 PolarHBondContact O-N 3.35Å; K347-S351 WeakPolarHBondContact O-CB 3.11Å; K347-S351 PolarHBondContact O-N 2.92Å
348Q92.1Very high92.4Very high131 Ų131104.1 Ų104.161%0.61251%0.51SS*.Hα-helixtrans-66.4-44.5-179.4-170.5175.48.100111E344 Q345 K350 S351 V352E344-Q348 WeakPolarHBondContact O-CB 3.38Å; E344-Q348 PolarHBondContact O-N 3.43Å; Q345-Q348 PolarHBondContact O-N 2.94Å; Q345-Q348 VanDerWaalsContact O-N 3.08Å; Q348-K350 PolarHBondContact O-N 3.35Å; Q348-S351 WeakPolarHBondContact O-CB 3.13Å; Q348-S351 PolarHBondContact O-N 2.97Å; Q348-S351 VanDerWaalsContact O-N 3.13Å; Q348-V352 WeakPolarHBondContact O-CG2 3.47Å; Q348-V352 PolarHBondContact O-N 2.87Å
349E92.6Very high92.4Very high120 Ų12099.9 Ų99.956%0.56150%0.497SS*.Hα-helixtrans-57.4-46.4171.4-72.7171.1-174.700111.3Q345 S351 V352 I353Q345-E349 WeakPolarHBondContact O-CB 3.35Å; Q345-E349 WeakPolarHBondContact O-CG 3.32Å; Q345-E349 PolarHBondContact O-N 3Å; E349-S351 VanDerWaalsContact C-N 3.32Å; E349-S351 PolarHBondContact O-N 3.4Å; E349-V352 PolarHBondContact O-N 3.28Å; E349-I353 WeakPolarHBondContact O-CB 3.32Å; E349-I353 VanDerWaalsContact O-CG1 3.24Å; E349-I353 WeakPolarHBondContact O-CG1 3.36Å; E349-I353 PolarHBondContact O-N 2.98Å
350K94.9Very high92.5Very high140 Ų140101 Ų10161%0.60950%0.495SS*.Hα-helixtrans-60.6-39.6174-177.4-180176.9-177.50112.3I346 K347 Q348 I353 L354I346-K350 VanDerWaalsContact O-CB 3.31Å; I346-K350 WeakPolarHBondContact O-CB 3.36Å; I346-K350 PolarHBondContact O-N 3.06Å; K347-K350 PolarHBondContact O-N 3.35Å; Q348-K350 PolarHBondContact O-N 3.35Å; K350-I353 PolarHBondContact O-N 3.29Å; K350-L354 HydrophobicContact CG-CD1 4.32Å; K350-L354 WeakPolarHBondContact O-CG 3.16Å; K350-L354 PolarHBondContact O-N 3.37Å
351S93.7Very high92.7Very high68 Ų68101.8 Ų101.848%0.47649%0.493SS..Hα-helixtrans-63.5-47.4176.2-163.70000110.9K347 Q348 E349 I353 L354 E355K347-S351 WeakPolarHBondContact O-CB 3.11Å; K347-S351 PolarHBondContact O-N 2.92Å; Q348-S351 WeakPolarHBondContact O-CB 3.13Å; Q348-S351 PolarHBondContact O-N 2.97Å; Q348-S351 VanDerWaalsContact O-N 3.13Å; E349-S351 VanDerWaalsContact C-N 3.32Å; E349-S351 PolarHBondContact O-N 3.4Å; S351-I353 VanDerWaalsContact C-N 3.32Å; S351-I353 PolarHBondContact O-N 3.16Å; S351-L354 PolarHBondContact O-N 3.2Å; S351-L354 VanDerWaalsContact O-N 3.15Å; S351-E355 WeakPolarHBondContact O-CB 3.34Å; S351-E355 PolarHBondContact O-N 3.34Å
352V94.5Very high92.8Very high63 Ų63104.8 Ų104.838%0.38250%0.496SS..Hα-helixtrans-64.2-34.8177.2170.20000111.7Q348 E349 N356Q348-V352 WeakPolarHBondContact O-CG2 3.47Å; Q348-V352 PolarHBondContact O-N 2.87Å; E349-V352 PolarHBondContact O-N 3.28Å; V352-N356 WeakPolarHBondContact CG1-ND2 3.21Å; V352-N356 WeakPolarHBondContact O-CB 3.21Å; V352-N356 PolarHBondContact O-N 3.43Å; V352-N356 PolarHBondContact O-ND2 2.74Å; V352-N356 VanDerWaalsContact O-ND2 3.17Å
353I92.9Very high92.8Very high117 Ų117105.5 Ų105.560%0.650%0.499SS*.Hα-helixtrans-67.7-37.6173.7-71.4163.8000111.6E349 K350 S351 R357E349-I353 WeakPolarHBondContact O-CB 3.32Å; E349-I353 VanDerWaalsContact O-CG1 3.24Å; E349-I353 WeakPolarHBondContact O-CG1 3.36Å; E349-I353 PolarHBondContact O-N 2.98Å; K350-I353 PolarHBondContact O-N 3.29Å; S351-I353 VanDerWaalsContact C-N 3.32Å; S351-I353 PolarHBondContact O-N 3.16Å; I353-R357 VanDerWaalsContact O-CB 3.32Å; I353-R357 WeakPolarHBondContact O-CB 3.49Å; I353-R357 PolarHBondContact O-N 3.16Å; I353-R357 VanDerWaalsContact O-N 3.12Å
354L93.5Very high92.9Very high90 Ų90107.1 Ų107.147%0.47150%0.5SS..Hα-helixtrans-70.9-41.1174.5-71.7168.9000111.7K350 S351 R357 L358K350-L354 HydrophobicContact CG-CD1 4.32Å; K350-L354 WeakPolarHBondContact O-CG 3.16Å; K350-L354 PolarHBondContact O-N 3.37Å; S351-L354 PolarHBondContact O-N 3.2Å; S351-L354 VanDerWaalsContact O-N 3.15Å; L354-R357 WeakPolarHBondContact O-CB 3.19Å; L354-R357 PolarHBondContact O-N 2.81Å; L354-R357 VanDerWaalsContact O-N 3.13Å; L354-L358 WeakPolarHBondContact O-CG 3.35Å; L354-L358 PolarHBondContact O-N 3.04Å
355E92Very high93Very high123 Ų123107.2 Ų107.258%0.57550%0.5SS*.Hα-helixtrans-64.5-49176.3-171167.9-156.300111.2S351 R357 L358 E359S351-E355 WeakPolarHBondContact O-CB 3.34Å; S351-E355 PolarHBondContact O-N 3.34Å; E355-R357 PolarHBondContact O-N 3.44Å; E355-R357 VanDerWaalsContact O-N 3.1Å; E355-L358 PolarHBondContact O-N 3.2Å; E355-E359 WeakPolarHBondContact O-CB 3.34Å; E355-E359 PolarHBondContact O-N 2.96Å
356N93.4Very high92.9Very high93 Ų93106.2 Ų106.250%0.49750%0.501SS..Hα-helixtrans-65.7-9.2171.9-71.5-29.5000113.9V352 R360V352-N356 WeakPolarHBondContact CG1-ND2 3.21Å; V352-N356 WeakPolarHBondContact O-CB 3.21Å; V352-N356 PolarHBondContact O-N 3.43Å; V352-N356 PolarHBondContact O-ND2 2.74Å; V352-N356 VanDerWaalsContact O-ND2 3.17Å; N356-R360 PolarHBondContact O-NE 2.76Å; N356-R360 PolarHBondContact O-NH2 3.43Å
357R94.6Very high93Very high138 Ų138108.8 Ų108.852%0.52150%0.504SS..Hα-helixtrans-90.1-52.3169.4177.7176175144.211.8110.5I353 L354 E355 E359 R360 E361I353-R357 VanDerWaalsContact O-CB 3.32Å; I353-R357 WeakPolarHBondContact O-CB 3.49Å; I353-R357 PolarHBondContact O-N 3.16Å; I353-R357 VanDerWaalsContact O-N 3.12Å; L354-R357 WeakPolarHBondContact O-CB 3.19Å; L354-R357 PolarHBondContact O-N 2.81Å; L354-R357 VanDerWaalsContact O-N 3.13Å; E355-R357 PolarHBondContact O-N 3.44Å; E355-R357 VanDerWaalsContact O-N 3.1Å; R357-E359 VanDerWaalsContact C-N 3.26Å; R357-E359 PolarHBondContact O-N 3.43Å; R357-R360 PolarHBondContact O-N 2.75Å; R357-R360 VanDerWaalsContact O-N 3.12Å; R357-E361 HydrophobicContact CG-CG 4.49Å; R357-E361 IonicContact CZ-OE1 3.36Å; R357-E361 VanDerWaalsContact CZ-OE1 3.24Å; R357-E361 IonicContact NE-OE1 2.74Å; R357-E361 PolarHBondContact NE-OE1 2.77Å; R357-E361 IonicContact NE-OE2 3.43Å; R357-E361 IonicContact NH2-OE1 2.69Å; R357-E361 PolarHBondContact NH2-OE1 2.84Å; R357-E361 WeakPolarHBondContact O-CG 3.23Å; R357-E361 PolarHBondContact O-N 3.4Å
358L94Very high92.8Very high109 Ų109110.5 Ų110.557%0.57151%0.507SS*.Hα-helixtrans-58.1-38.2176.9-71.4169.2000112.1L354 E355 E361 R362L354-L358 WeakPolarHBondContact O-CG 3.35Å; L354-L358 PolarHBondContact O-N 3.04Å; E355-L358 PolarHBondContact O-N 3.2Å; L358-E361 PolarHBondContact O-N 3.15Å; L358-R362 VanDerWaalsContact O-CB 3.3Å; L358-R362 WeakPolarHBondContact O-CB 3.4Å; L358-R362 PolarHBondContact O-N 2.95Å
359E91.3Very high92.7Very high77 Ų77109.7 Ų109.736%0.3650%0.503SS..Hα-helixtrans-71.8-30.9178.7-167.759.3-160.900112.3E355 R357 R362 Q363E355-E359 WeakPolarHBondContact O-CB 3.34Å; E355-E359 PolarHBondContact O-N 2.96Å; R357-E359 VanDerWaalsContact C-N 3.26Å; R357-E359 PolarHBondContact O-N 3.43Å; E359-R362 IonicContact OE2-CZ 3.61Å; E359-R362 IonicContact OE2-NE 3.49Å; E359-R362 IonicContact OE2-NH1 2.92Å; E359-R362 PolarHBondContact OE2-NH1 3.17Å; E359-Q363 WeakPolarHBondContact O-CB 3.31Å; E359-Q363 WeakPolarHBondContact O-CG 3.43Å; E359-Q363 PolarHBondContact O-N 2.9Å
360R92.2Very high92.8Very high120 Ų120108.7 Ų108.745%0.45350%0.501SS..Hα-helixtrans-73.8-38.5169.8-76.9-177.4-63.7119.44.2112.2N356 R357 R362 Q363 Y364N356-R360 PolarHBondContact O-NE 2.76Å; N356-R360 PolarHBondContact O-NH2 3.43Å; R357-R360 PolarHBondContact O-N 2.75Å; R357-R360 VanDerWaalsContact O-N 3.12Å; R360-R362 VanDerWaalsContact C-N 3.34Å; R360-Q363 PolarHBondContact O-N 3.3Å; R360-Y364 HydrophobicContact CB-CE2 4.23Å; R360-Y364 WeakPolarHBondContact O-CD2 3.47Å; R360-Y364 VanDerWaalsContact O-CG 3.31Å; R360-Y364 PolarHBondContact O-N 2.85Å
361E92.6Very high92.6Very high67 Ų67106 Ų10631%0.31349%0.491SS..Hα-helixtrans-61.6-45174.3-73.8166.9168.800109.8R357 L358 Q363 Y364 E365R357-E361 HydrophobicContact CG-CG 4.49Å; R357-E361 IonicContact CZ-OE1 3.36Å; R357-E361 VanDerWaalsContact CZ-OE1 3.24Å; R357-E361 IonicContact NE-OE1 2.74Å; R357-E361 PolarHBondContact NE-OE1 2.77Å; R357-E361 IonicContact NE-OE2 3.43Å; R357-E361 IonicContact NH2-OE1 2.69Å; R357-E361 PolarHBondContact NH2-OE1 2.84Å; R357-E361 WeakPolarHBondContact O-CG 3.23Å; R357-E361 PolarHBondContact O-N 3.4Å; L358-E361 PolarHBondContact O-N 3.15Å; E361-Q363 PolarHBondContact O-N 3.49Å; E361-Y364 CarbonylContact O-C 3.5Å; E361-Y364 PolarHBondContact O-N 3.08Å; E361-Y364 VanDerWaalsContact O-N 3.16Å; E361-E365 WeakPolarHBondContact O-CG 3.25Å; E361-E365 PolarHBondContact O-N 3.47Å
362R93.4Very high92.4Very high141 Ų141107 Ų10753%0.53249%0.487SS..Hα-helixtrans-57.8-43.4169.4-179.7-179.2-72.4148.8-6.3112.9L358 E359 R360 Y364 E365 T366L358-R362 VanDerWaalsContact O-CB 3.3Å; L358-R362 WeakPolarHBondContact O-CB 3.4Å; L358-R362 PolarHBondContact O-N 2.95Å; E359-R362 IonicContact OE2-CZ 3.61Å; E359-R362 IonicContact OE2-NE 3.49Å; E359-R362 IonicContact OE2-NH1 2.92Å; E359-R362 PolarHBondContact OE2-NH1 3.17Å; R360-R362 VanDerWaalsContact C-N 3.34Å; R362-Y364 PolarHBondContact O-N 3.37Å; R362-E365 PolarHBondContact O-N 3.19Å; R362-T366 PolarHBondContact O-N 3.08Å; R362-T366 PolarHBondContact O-OG1 3.45Å; R362-T366 VanDerWaalsContact O-OG1 3.05Å
363Q91.9Very high92.2Very high105 Ų105109.5 Ų109.549%0.49150%0.495SS..Hα-helixtrans-63.9-38.3175.2-75.7165.317.200112.3E359 R360 E361 T366 R367E359-Q363 WeakPolarHBondContact O-CB 3.31Å; E359-Q363 WeakPolarHBondContact O-CG 3.43Å; E359-Q363 PolarHBondContact O-N 2.9Å; R360-Q363 PolarHBondContact O-N 3.3Å; E361-Q363 PolarHBondContact O-N 3.49Å; Q363-T366 WeakPolarHBondContact CA-OG1 3.42Å; Q363-T366 PolarHBondContact O-OG1 3.43Å; Q363-R367 WeakPolarHBondContact O-CB 3.46Å; Q363-R367 PolarHBondContact O-N 3.18Å
364Y93.6Very high92.1Very high131 Ų131109.1 Ų109.151%0.51449%0.493SS..Hα-helixtrans-73-25.5173.8-62.8-48.2000113.2R360 E361 R362 R368R360-Y364 HydrophobicContact CB-CE2 4.23Å; R360-Y364 WeakPolarHBondContact O-CD2 3.47Å; R360-Y364 VanDerWaalsContact O-CG 3.31Å; R360-Y364 PolarHBondContact O-N 2.85Å; E361-Y364 CarbonylContact O-C 3.5Å; E361-Y364 PolarHBondContact O-N 3.08Å; E361-Y364 VanDerWaalsContact O-N 3.16Å; R362-Y364 PolarHBondContact O-N 3.37Å; Y364-R368 WeakPolarHBondContact O-CB 3.39Å; Y364-R368 WeakPolarHBondContact O-CG 3.41Å; Y364-R368 PolarHBondContact O-N 3.31Å; Y364-R368 PolarHBondContact O-NE 3.42Å
365E91.9Very high91.9Very high105 Ų105107.2 Ų107.249%0.49149%0.49SS..Hα-helixtrans-71.4-58170.3-73.7165.7171.300110.1E361 R362 R367 R368 E369E361-E365 WeakPolarHBondContact O-CG 3.25Å; E361-E365 PolarHBondContact O-N 3.47Å; R362-E365 PolarHBondContact O-N 3.19Å; E365-R367 PolarHBondContact O-N 3.41Å; E365-R367 VanDerWaalsContact O-N 3.17Å; E365-R368 CarbonylContact O-C 3.55Å; E365-R368 WeakPolarHBondContact O-CA 3.41Å; E365-R368 PolarHBondContact O-N 3.36Å; E365-E369 WeakPolarHBondContact O-CG 3.46Å; E365-E369 PolarHBondContact O-N 2.84Å
366T91.5Very high91.5Very high76 Ų76105.5 Ų105.547%0.46648%0.483SS..Hα-helixtrans-58.8-32.817853.30000112.8R362 Q363 L370R362-T366 PolarHBondContact O-N 3.08Å; R362-T366 PolarHBondContact O-OG1 3.45Å; R362-T366 VanDerWaalsContact O-OG1 3.05Å; Q363-T366 WeakPolarHBondContact CA-OG1 3.42Å; Q363-T366 PolarHBondContact O-OG1 3.43Å; T366-L370 VanDerWaalsContact O-CB 3.32Å; T366-L370 WeakPolarHBondContact O-CB 3.44Å; T366-L370 PolarHBondContact O-N 2.95Å
367R93Very high91.2Very high154 Ų154104.7 Ų104.758%0.58148%0.479SS*.Hα-helixtrans-68-42.6173.2178.9173.3171.3150.28.3111.9Q363 E365 L370 E371Q363-R367 WeakPolarHBondContact O-CB 3.46Å; Q363-R367 PolarHBondContact O-N 3.18Å; E365-R367 PolarHBondContact O-N 3.41Å; E365-R367 VanDerWaalsContact O-N 3.17Å; R367-L370 PolarHBondContact O-N 2.67Å; R367-E371 HydrophobicContact CG-CG 4.34Å; R367-E371 IonicContact CZ-OE1 2.74Å; R367-E371 IonicContact NE-OE1 2.95Å; R367-E371 PolarHBondContact NE-OE1 3.08Å; R367-E371 IonicContact NE-OE2 3.88Å; R367-E371 IonicContact NH2-OE1 3.13Å; R367-E371 PolarHBondContact NH2-OE1 3.41Å; R367-E371 WeakPolarHBondContact O-CB 3.37Å; R367-E371 WeakPolarHBondContact O-CG 3.23Å; R367-E371 PolarHBondContact O-N 3.14Å
368R88.6Confident90.9Very high152 Ų152103.7 Ų103.757%0.57448%0.48SS*.Hα-helixtrans-69.4-34.5176.3-81.2178-71.3167.60.7112.4Y364 E365 F372Y364-R368 WeakPolarHBondContact O-CB 3.39Å; Y364-R368 WeakPolarHBondContact O-CG 3.41Å; Y364-R368 PolarHBondContact O-N 3.31Å; Y364-R368 PolarHBondContact O-NE 3.42Å; E365-R368 CarbonylContact O-C 3.55Å; E365-R368 WeakPolarHBondContact O-CA 3.41Å; E365-R368 PolarHBondContact O-N 3.36Å; R368-F372 WeakPolarHBondContact O-CB 3.45Å; R368-F372 PolarHBondContact O-N 2.7Å
369E90.6Very high90.4Very high115 Ų115103 Ų10354%0.53747%0.474SS..Hα-helixtrans-62.7-43.2171.3-70.2177.3162.600111.3E365 F372 Q373E365-E369 WeakPolarHBondContact O-CG 3.46Å; E365-E369 PolarHBondContact O-N 2.84Å; E369-F372 PolarHBondContact O-N 3.17Å; E369-Q373 WeakPolarHBondContact O-CB 3.38Å; E369-Q373 VanDerWaalsContact O-CG 3.24Å; E369-Q373 WeakPolarHBondContact O-CG 3.29Å; E369-Q373 PolarHBondContact O-N 2.9Å
370L94.5Very high89.9Confident98 Ų98107 Ų10751%0.51349%0.486SS..Hα-helixtrans-68.2-44.4176.1-173.5154.5000112T366 R367 F372 Q373 L374T366-L370 VanDerWaalsContact O-CB 3.32Å; T366-L370 WeakPolarHBondContact O-CB 3.44Å; T366-L370 PolarHBondContact O-N 2.95Å; R367-L370 PolarHBondContact O-N 2.67Å; L370-F372 VanDerWaalsContact C-N 3.31Å; L370-F372 PolarHBondContact O-N 3.49Å; L370-Q373 PolarHBondContact O-N 3.31Å; L370-L374 HydrophobicContact CD2-CD1 3.6Å; L370-L374 HydrophobicContact CD2-CG 4.1Å; L370-L374 WeakPolarHBondContact O-CG 3.42Å; L370-L374 PolarHBondContact O-N 3.46Å
371E90.4Very high89.6Confident85 Ų85106.7 Ų106.740%0.39749%0.489SS..Hα-helixtrans-63.9-35.4175.7-74.5170.716400111.6R367 A375R367-E371 HydrophobicContact CG-CG 4.34Å; R367-E371 IonicContact CZ-OE1 2.74Å; R367-E371 IonicContact NE-OE1 2.95Å; R367-E371 PolarHBondContact NE-OE1 3.08Å; R367-E371 IonicContact NE-OE2 3.88Å; R367-E371 IonicContact NH2-OE1 3.13Å; R367-E371 PolarHBondContact NH2-OE1 3.41Å; R367-E371 WeakPolarHBondContact O-CB 3.37Å; R367-E371 WeakPolarHBondContact O-CG 3.23Å; R367-E371 PolarHBondContact O-N 3.14Å; E371-A375 WeakPolarHBondContact O-CB 3.19Å; E371-A375 PolarHBondContact O-N 3.15Å
372F90.9Very high89Confident87 Ų87107.1 Ų107.138%0.38249%0.492SS..Hα-helixtrans-69.7-41.5172.2-178.9-102.2000112.5R368 E369 L370 A375 M376R368-F372 WeakPolarHBondContact O-CB 3.45Å; R368-F372 PolarHBondContact O-N 2.7Å; E369-F372 PolarHBondContact O-N 3.17Å; L370-F372 VanDerWaalsContact C-N 3.31Å; L370-F372 PolarHBondContact O-N 3.49Å; F372-A375 PolarHBondContact O-N 3.48Å; F372-M376 HydrophobicContact CD1-CG 4.22Å; F372-M376 HydrophobicContact CE1-CG 3.8Å; F372-M376 HydrophobicContact CE1-SD 4.36Å; F372-M376 HydrophobicContact CE2-CG 4.25Å; F372-M376 HydrophobicContact CE2-SD 4.18Å; F372-M376 HydrophobicContact CZ-CG 3.81Å; F372-M376 HydrophobicContact CZ-SD 3.81Å; F372-M376 WeakPolarHBondContact O-CG 3.44Å; F372-M376 PolarHBondContact O-N 2.79Å
373Q89Confident88.3Confident117 Ų117104.1 Ų104.155%0.54749%0.486SS..Hα-helixtrans-61.3-46.3174.2-75.8167.830.700111.3E369 L370 A375 M376 D377E369-Q373 WeakPolarHBondContact O-CB 3.38Å; E369-Q373 VanDerWaalsContact O-CG 3.24Å; E369-Q373 WeakPolarHBondContact O-CG 3.29Å; E369-Q373 PolarHBondContact O-N 2.9Å; L370-Q373 PolarHBondContact O-N 3.31Å; Q373-A375 VanDerWaalsContact C-N 3.31Å; Q373-A375 PolarHBondContact O-N 3.06Å; Q373-M376 PolarHBondContact O-N 2.77Å; Q373-D377 PolarHBondContact O-N 3.1Å
374L90.7Very high88Confident109 Ų109103.3 Ų103.357%0.57149%0.485SS*.Hα-helixtrans-62-35.6174.6-70.4-179.6000112.7L370 H378L370-L374 HydrophobicContact CD2-CD1 3.6Å; L370-L374 HydrophobicContact CD2-CG 4.1Å; L370-L374 WeakPolarHBondContact O-CG 3.42Å; L370-L374 PolarHBondContact O-N 3.46Å; L374-H378 WeakPolarHBondContact O-CB 3.23Å; L374-H378 PolarHBondContact O-N 3.34Å
375A90Very high87.6Confident50 Ų50101.8 Ų101.841%0.41348%0.483SS..Hα-helixtrans-66.5-44.1174.300000112.1E371 F372 Q373 H378 E379E371-A375 WeakPolarHBondContact O-CB 3.19Å; E371-A375 PolarHBondContact O-N 3.15Å; F372-A375 PolarHBondContact O-N 3.48Å; Q373-A375 VanDerWaalsContact C-N 3.31Å; Q373-A375 PolarHBondContact O-N 3.06Å; A375-H378 PolarHBondContact O-N 3.41Å; A375-E379 WeakPolarHBondContact O-CB 3.38Å; A375-E379 PolarHBondContact O-N 3.43Å
376M83.6Confident87Confident86 Ų86100.2 Ų100.242%0.42448%0.475SS..Hα-helixtrans-64.8-41.3176.2-69.7-60.4-47.400112.3F372 Q373 R380F372-M376 HydrophobicContact CD1-CG 4.22Å; F372-M376 HydrophobicContact CE1-CG 3.8Å; F372-M376 HydrophobicContact CE1-SD 4.36Å; F372-M376 HydrophobicContact CE2-CG 4.25Å; F372-M376 HydrophobicContact CE2-SD 4.18Å; F372-M376 HydrophobicContact CZ-CG 3.81Å; F372-M376 HydrophobicContact CZ-SD 3.81Å; F372-M376 WeakPolarHBondContact O-CG 3.44Å; F372-M376 PolarHBondContact O-N 2.79Å; Q373-M376 PolarHBondContact O-N 2.77Å; M376-R380 VanDerWaalsContact O-CB 3.24Å; M376-R380 WeakPolarHBondContact O-CB 3.48Å; M376-R380 PolarHBondContact O-N 2.95Å
377D87.9Confident86.6Confident76 Ų76100.6 Ų100.641%0.40647%0.47SS..Hα-helixtrans-70.4-36.6176.3-78.9-36.3000111.6Q373 R380 E381Q373-D377 PolarHBondContact O-N 3.1Å; D377-R380 WeakPolarHBondContact O-CB 3.5Å; D377-R380 PolarHBondContact O-N 3.34Å; D377-R380 IonicContact OD1-NH1 2.69Å; D377-E381 WeakPolarHBondContact O-CB 3.31Å; D377-E381 WeakPolarHBondContact O-CG 3.4Å; D377-E381 PolarHBondContact O-N 3.07Å
378H87.1Confident86.2Confident117 Ų11798.4 Ų98.454%0.54247%0.467SS..Hα-helixtrans-65.2-44.2172.3178.4-80.5000112.5L374 A375 R380 E381 M382L374-H378 WeakPolarHBondContact O-CB 3.23Å; L374-H378 PolarHBondContact O-N 3.34Å; A375-H378 PolarHBondContact O-N 3.41Å; H378-R380 VanDerWaalsContact C-N 3.27Å; H378-R380 PolarHBondContact O-N 3.41Å; H378-E381 PolarHBondContact O-N 3.1Å; H378-M382 WeakPolarHBondContact O-CG 3.22Å; H378-M382 PolarHBondContact O-N 3.02Å
379E83.6Confident85.9Confident96 Ų9695.1 Ų95.145%0.44946%0.458SS..Hα-helixtrans-60.1-40.8174-176.5174.1-163.700111A375 M382 L383A375-E379 WeakPolarHBondContact O-CB 3.38Å; A375-E379 PolarHBondContact O-N 3.43Å; E379-M382 PolarHBondContact O-N 3.27Å; E379-L383 HydrophobicContact CG-CD1 4.28Å; E379-L383 WeakPolarHBondContact O-CB 3.27Å; E379-L383 WeakPolarHBondContact O-CG 3.17Å; E379-L383 PolarHBondContact O-N 3.05Å
380R81.2Confident85.5Confident160 Ų16091.6 Ų91.660%0.60444%0.441SS*.Hα-helixtrans-64.5-41.6174.7-172.9-171.7-162.1174.56.1112.8M376 D377 H378 L383 L384M376-R380 VanDerWaalsContact O-CB 3.24Å; M376-R380 WeakPolarHBondContact O-CB 3.48Å; M376-R380 PolarHBondContact O-N 2.95Å; D377-R380 WeakPolarHBondContact O-CB 3.5Å; D377-R380 PolarHBondContact O-N 3.34Å; D377-R380 IonicContact OD1-NH1 2.69Å; H378-R380 VanDerWaalsContact C-N 3.27Å; H378-R380 PolarHBondContact O-N 3.41Å; R380-L383 PolarHBondContact O-N 3.01Å; R380-L384 HydrophobicContact CG-CD1 4.4Å; R380-L384 WeakPolarHBondContact O-CB 3.16Å; R380-L384 VanDerWaalsContact O-CG 3.29Å; R380-L384 WeakPolarHBondContact O-CG 3.26Å; R380-L384 PolarHBondContact O-N 2.91Å
381E85.3Confident85Confident113 Ų11392.6 Ų92.653%0.52844%0.442SS..Hα-helixtrans-63.9-43.9174.8-78.3-178.1177.100111.3D377 H378 L383 L384 Q385D377-E381 WeakPolarHBondContact O-CB 3.31Å; D377-E381 WeakPolarHBondContact O-CG 3.4Å; D377-E381 PolarHBondContact O-N 3.07Å; H378-E381 PolarHBondContact O-N 3.1Å; E381-L383 PolarHBondContact O-N 2.84Å; E381-L384 PolarHBondContact O-N 3.44Å; E381-Q385 WeakPolarHBondContact O-CG 3.3Å; E381-Q385 PolarHBondContact O-N 3.19Å
382M79.8Confident84.8Confident76 Ų7694.8 Ų94.837%0.37445%0.452SS..Hα-helixtrans-60.1-42.8174-70.7-59.6-54.500112.1H378 E379 L384 Q385 Q386H378-M382 WeakPolarHBondContact O-CG 3.22Å; H378-M382 PolarHBondContact O-N 3.02Å; E379-M382 PolarHBondContact O-N 3.27Å; M382-L384 VanDerWaalsContact C-N 3.34Å; M382-L384 PolarHBondContact O-N 3.41Å; M382-Q385 PolarHBondContact O-N 3.05Å; M382-Q386 WeakPolarHBondContact O-CG 3.48Å; M382-Q386 PolarHBondContact O-N 3.31Å
383L79.7Confident84.3Confident79 Ų7993.9 Ų93.941%0.41445%0.448SS..Hα-helixtrans-67.9-30.7175.9-73170.6000112.9E379 R380 E381 K387E379-L383 HydrophobicContact CG-CD1 4.28Å; E379-L383 WeakPolarHBondContact O-CB 3.27Å; E379-L383 WeakPolarHBondContact O-CG 3.17Å; E379-L383 PolarHBondContact O-N 3.05Å; R380-L383 PolarHBondContact O-N 3.01Å; E381-L383 PolarHBondContact O-N 2.84Å; L383-K387 VanDerWaalsContact O-CB 3.29Å; L383-K387 WeakPolarHBondContact O-CB 3.44Å; L383-K387 VanDerWaalsContact O-CG 3.26Å; L383-K387 WeakPolarHBondContact O-CG 3.3Å; L383-K387 PolarHBondContact O-N 3.46Å; L383-K387 VanDerWaalsContact O-N 3.1Å
384L84.8Confident84.1Confident88 Ų8889.9 Ų89.946%0.46143%0.429SS..Hα-helixtrans-70.9-46.2172.7-75.2169.7000111.3R380 E381 M382 Q386 K387 E388R380-L384 HydrophobicContact CG-CD1 4.4Å; R380-L384 WeakPolarHBondContact O-CB 3.16Å; R380-L384 VanDerWaalsContact O-CG 3.29Å; R380-L384 WeakPolarHBondContact O-CG 3.26Å; R380-L384 PolarHBondContact O-N 2.91Å; E381-L384 PolarHBondContact O-N 3.44Å; M382-L384 VanDerWaalsContact C-N 3.34Å; M382-L384 PolarHBondContact O-N 3.41Å; L384-Q386 PolarHBondContact O-N 3.4Å; L384-K387 CarbonylContact O-C 3.6Å; L384-K387 PolarHBondContact O-N 3.32Å; L384-E388 WeakPolarHBondContact O-CG 3.47Å; L384-E388 PolarHBondContact O-N 3Å
385Q84.7Confident84Confident99 Ų9986.8 Ų86.846%0.46342%0.418SS..Hα-helixtrans-59-46.4175.9-71.51732100111.4E381 M382 K387 E388 E389E381-Q385 WeakPolarHBondContact O-CG 3.3Å; E381-Q385 PolarHBondContact O-N 3.19Å; M382-Q385 PolarHBondContact O-N 3.05Å; Q385-K387 PolarHBondContact O-N 3.41Å; Q385-E388 CarbonylContact O-C 3.58Å; Q385-E388 WeakPolarHBondContact O-CA 3.34Å; Q385-E388 PolarHBondContact O-N 2.92Å; Q385-E389 PolarHBondContact O-N 3.39Å
386Q79.7Confident83.8Confident71 Ų7189.4 Ų89.433%0.33243%0.425SS..Hα-helixtrans-59-46.9173.6-73175.86.900111.7M382 L384 E388 E389 E390M382-Q386 WeakPolarHBondContact O-CG 3.48Å; M382-Q386 PolarHBondContact O-N 3.31Å; L384-Q386 PolarHBondContact O-N 3.4Å; Q386-E388 PolarHBondContact O-N 2.98Å; Q386-E388 VanDerWaalsContact O-N 3.13Å; Q386-E389 PolarHBondContact O-N 3.1Å; Q386-E390 WeakPolarHBondContact O-CB 3.39Å; Q386-E390 WeakPolarHBondContact O-CG 3.36Å; Q386-E390 PolarHBondContact O-N 3.39Å
387K83.8Confident83.9Confident85 Ų8587.6 Ų87.637%0.3742%0.416SS..Hα-helixtrans-67.3-5.9174.6-74.6171.8175.4172.10113.1L383 L384 Q385 K391 E903L383-K387 VanDerWaalsContact O-CB 3.29Å; L383-K387 WeakPolarHBondContact O-CB 3.44Å; L383-K387 VanDerWaalsContact O-CG 3.26Å; L383-K387 WeakPolarHBondContact O-CG 3.3Å; L383-K387 PolarHBondContact O-N 3.46Å; L383-K387 VanDerWaalsContact O-N 3.1Å; L384-K387 CarbonylContact O-C 3.6Å; L384-K387 PolarHBondContact O-N 3.32Å; Q385-K387 PolarHBondContact O-N 3.41Å; K387-K391 VanDerWaalsContact O-CD 3.29Å; K387-K391 WeakPolarHBondContact O-CD 3.47Å; K387-K391 WeakPolarHBondContact O-CE 3.49Å; K387-K391 VanDerWaalsContact O-CG 3.28Å; K387-K391 WeakPolarHBondContact O-CG 3.48Å; K387-K391 PolarHBondContact O-NZ 3.25Å; K387-E903 IonicContact NZ-OE1 3.91Å; K387-E903 PolarHBondContact NZ-OE1 3.28Å
388E85Confident83.8Confident107 Ų10786.9 Ų86.950%0.541%0.41SS..Hα-helixtrans-99.7-45.9172.2-76.1177.7169.400111.3L384 Q385 Q386 E390 K391 E392L384-E388 WeakPolarHBondContact O-CG 3.47Å; L384-E388 PolarHBondContact O-N 3Å; Q385-E388 CarbonylContact O-C 3.58Å; Q385-E388 WeakPolarHBondContact O-CA 3.34Å; Q385-E388 PolarHBondContact O-N 2.92Å; Q386-E388 PolarHBondContact O-N 2.98Å; Q386-E388 VanDerWaalsContact O-N 3.13Å; E388-E390 PolarHBondContact O-N 3.14Å; E388-K391 WeakPolarHBondContact O-CA 3.46Å; E388-K391 WeakPolarHBondContact O-CB 3.31Å; E388-K391 PolarHBondContact O-N 2.91Å; E388-E392 PolarHBondContact O-N 2.77Å
389E81.6Confident83.8Confident84 Ų8488 Ų8839%0.39342%0.415SS..Hα-helixtrans-53.3-38.9168.6-75.2-168.2-139.900112.6Q385 Q386 K391 E392 K393 I788Q385-E389 PolarHBondContact O-N 3.39Å; Q386-E389 PolarHBondContact O-N 3.1Å; E389-K391 VanDerWaalsContact C-N 3.32Å; E389-K391 PolarHBondContact O-N 3.27Å; E389-E392 PolarHBondContact O-N 3.44Å; E389-K393 WeakPolarHBondContact O-CB 3.2Å; E389-K393 WeakPolarHBondContact O-CG 3.39Å; E389-K393 PolarHBondContact O-N 3.18Å; E389-K393 WeakPolarHBondContact OE2-CE 3.21Å; E389-K393 IonicContact OE2-NZ 2.8Å; E389-K393 PolarHBondContact OE2-NZ 3.41Å; E389-I788 HydrophobicContact CB-CD1 3.72Å
390E81.4Confident83.8Confident40 Ų4087.6 Ų87.619%0.18741%0.412CS..Hα-helixtrans-61-39.7174.6-77.8-17515200112.4Q386 E388 F394 H785 I788Q386-E390 WeakPolarHBondContact O-CB 3.39Å; Q386-E390 WeakPolarHBondContact O-CG 3.36Å; Q386-E390 PolarHBondContact O-N 3.39Å; E388-E390 PolarHBondContact O-N 3.14Å; E390-F394 WeakPolarHBondContact O-CB 3.2Å; E390-F394 PolarHBondContact O-N 2.86Å; E390-H785 IonicContact OE1-CE1 3.65Å; E390-H785 IonicContact OE1-CG 2.65Å; E390-H785 IonicContact OE1-ND1 2.68Å; E390-H785 PolarHBondContact OE1-ND1 3.42Å; E390-H785 IonicContact OE2-CE1 2.78Å; E390-H785 PolarHBondContact OE2-CE1 3.31Å; E390-H785 IonicContact OE2-ND1 2.66Å; E390-H785 PolarHBondContact OE2-ND1 2.93Å; E390-I788 HydrophobicContact CB-CD1 4.12Å; E390-I788 HydrophobicContact CG-CB 4.4Å; E390-I788 HydrophobicContact CG-CD1 3.45Å; E390-I788 VanDerWaalsContact CG-CD1 3.45Å; E390-I788 HydrophobicContact CG-CG2 4.42Å
391K85.1Confident83.9Confident120 Ų12080.8 Ų80.852%0.52239%0.386SS..Hα-helixtrans-70.9-41.7178.1-62.8167.7-165.2124.80110.7K387 E388 E389 F394 A395K387-K391 VanDerWaalsContact O-CD 3.29Å; K387-K391 WeakPolarHBondContact O-CD 3.47Å; K387-K391 WeakPolarHBondContact O-CE 3.49Å; K387-K391 VanDerWaalsContact O-CG 3.28Å; K387-K391 WeakPolarHBondContact O-CG 3.48Å; K387-K391 PolarHBondContact O-NZ 3.25Å; E388-K391 WeakPolarHBondContact O-CA 3.46Å; E388-K391 WeakPolarHBondContact O-CB 3.31Å; E388-K391 PolarHBondContact O-N 2.91Å; E389-K391 VanDerWaalsContact C-N 3.32Å; E389-K391 PolarHBondContact O-N 3.27Å; K391-F394 PolarHBondContact O-N 3.13Å; K391-A395 WeakPolarHBondContact O-CB 3.33Å; K391-A395 PolarHBondContact O-N 2.72Å
392E85.6Confident83.9Confident130 Ų13080.9 Ų80.961%0.60739%0.385SS*.Hα-helixtrans-66.3-49.3178.9-68.6-168.216000111.7E388 E389 F394 A395 I396E388-E392 PolarHBondContact O-N 2.77Å; E389-E392 PolarHBondContact O-N 3.44Å; E392-F394 VanDerWaalsContact C-N 3.3Å; E392-F394 PolarHBondContact O-N 3.43Å; E392-A395 WeakPolarHBondContact O-CB 3.44Å; E392-A395 PolarHBondContact O-N 3.33Å; E392-I396 WeakPolarHBondContact O-CG1 3.22Å; E392-I396 PolarHBondContact O-N 2.99Å
393K81.5Confident84.3Confident69 Ų6981.6 Ų81.630%0.339%0.388SS..Hα-helixtrans-62.1-38.6176.6-66.7174.6-155.2168.60111.1E389 L397 A784 I788E389-K393 WeakPolarHBondContact O-CB 3.2Å; E389-K393 WeakPolarHBondContact O-CG 3.39Å; E389-K393 PolarHBondContact O-N 3.18Å; E389-K393 WeakPolarHBondContact OE2-CE 3.21Å; E389-K393 IonicContact OE2-NZ 2.8Å; E389-K393 PolarHBondContact OE2-NZ 3.41Å; K393-L397 VanDerWaalsContact O-CB 3.32Å; K393-L397 WeakPolarHBondContact O-CB 3.42Å; K393-L397 WeakPolarHBondContact O-CD1 3.34Å; K393-L397 WeakPolarHBondContact O-CG 3.1Å; K393-L397 PolarHBondContact O-N 3.22Å; K393-A784 HydrophobicContact CB-CB 4.45Å; K393-I788 HydrophobicContact CD-CD1 3.82Å; K393-I788 HydrophobicContact CD-CG1 4.09Å; K393-I788 VanDerWaalsContact NZ-CG1 3.34Å
394F85Confident84.5Confident33 Ų3380.5 Ų80.515%0.14538%0.38CS..Hα-helixtrans-62.6-41.5170.6172.5-112.6000112.9E390 K391 E392 K398 E777 L780 K781 A784E390-F394 WeakPolarHBondContact O-CB 3.2Å; E390-F394 PolarHBondContact O-N 2.86Å; K391-F394 PolarHBondContact O-N 3.13Å; E392-F394 VanDerWaalsContact C-N 3.3Å; E392-F394 PolarHBondContact O-N 3.43Å; F394-K398 HydrophobicContact CE1-CD 4.24Å; F394-K398 HydrophobicContact CZ-CD 3.97Å; F394-K398 WeakPolarHBondContact O-CB 3.28Å; F394-K398 PolarHBondContact O-N 3.39Å; F394-E777 WeakPolarHBondContact CE2-O 3.36Å; F394-E777 HydrophobicContact CZ-CB 4.4Å; F394-L780 HydrophobicContact CD2-CB 4.03Å; F394-L780 HydrophobicContact CE2-CB 3.92Å; F394-K781 HydrophobicContact CD1-CG 4.46Å; F394-K781 HydrophobicContact CD2-CB 4.38Å; F394-K781 HydrophobicContact CD2-CG 3.49Å; F394-K781 VanDerWaalsContact CD2-CG 3.49Å; F394-K781 HydrophobicContact CE1-CG 4.4Å; F394-K781 HydrophobicContact CE2-CD 4.32Å; F394-K781 HydrophobicContact CE2-CG 3.42Å; F394-K781 VanDerWaalsContact CE2-CG 3.42Å; F394-K781 HydrophobicContact CG-CG 4.04Å; F394-K781 HydrophobicContact CZ-CD 4.34Å; F394-K781 VanDerWaalsContact CZ-CE 3.44Å; F394-K781 HydrophobicContact CZ-CG 3.91Å; F394-A784 HydrophobicContact CB-CB 4.03Å
395A87.4Confident84.4Confident43 Ų4381.4 Ų81.436%0.35538%0.378SS..Hα-helixtrans-65.5-44.5178.900000112.2K391 E392 K398 Q399K391-A395 WeakPolarHBondContact O-CB 3.33Å; K391-A395 PolarHBondContact O-N 2.72Å; E392-A395 WeakPolarHBondContact O-CB 3.44Å; E392-A395 PolarHBondContact O-N 3.33Å; A395-K398 PolarHBondContact O-N 2.84Å; A395-Q399 WeakPolarHBondContact O-CG 3.42Å; A395-Q399 PolarHBondContact O-N 2.86Å
396I87Confident84.5Confident106 Ų10679.2 Ų79.254%0.54438%0.376SS..Hα-helixtrans-61.5-49.8176-66164000110.3E392 K398 Q399 F400E392-I396 WeakPolarHBondContact O-CG1 3.22Å; E392-I396 PolarHBondContact O-N 2.99Å; I396-K398 VanDerWaalsContact C-N 3.27Å; I396-K398 PolarHBondContact O-N 3.15Å; I396-Q399 PolarHBondContact O-N 3.11Å; I396-F400 PolarHBondContact O-N 3.35Å
397L84.8Confident84.9Confident48 Ų4880.9 Ų80.925%0.25138%0.382SS..Hα-helixtrans-59.2-37.8176.4-74.3170.1000112.3K393 W401 L780 V783K393-L397 VanDerWaalsContact O-CB 3.32Å; K393-L397 WeakPolarHBondContact O-CB 3.42Å; K393-L397 WeakPolarHBondContact O-CD1 3.34Å; K393-L397 WeakPolarHBondContact O-CG 3.1Å; K393-L397 PolarHBondContact O-N 3.22Å; L397-W401 WeakPolarHBondContact O-CB 3.28Å; L397-W401 PolarHBondContact O-N 3.29Å; L397-L780 HydrophobicContact CB-CD2 4.34Å; L397-V783 HydrophobicContact CD1-CB 4.05Å; L397-V783 HydrophobicContact CD1-CG1 3.67Å
398K86Confident84.8Confident61 Ų6181.3 Ų81.327%0.26538%0.382SS..Hα-helixtrans-68.8-40.2176.6-177.2171.4177.2172.20112.3F394 A395 I396 F402 E777 L780F394-K398 HydrophobicContact CE1-CD 4.24Å; F394-K398 HydrophobicContact CZ-CD 3.97Å; F394-K398 WeakPolarHBondContact O-CB 3.28Å; F394-K398 PolarHBondContact O-N 3.39Å; A395-K398 PolarHBondContact O-N 2.84Å; I396-K398 VanDerWaalsContact C-N 3.27Å; I396-K398 PolarHBondContact O-N 3.15Å; K398-F402 HydrophobicContact CD-CE2 4.31Å; K398-F402 HydrophobicContact CG-CD2 4.09Å; K398-F402 HydrophobicContact CG-CE2 3.69Å; K398-F402 WeakPolarHBondContact O-CD2 3.27Å; K398-F402 PolarHBondContact O-N 3.49Å; K398-E777 VanDerWaalsContact CE-OE1 3.25Å; K398-E777 WeakPolarHBondContact CE-OE1 3.34Å; K398-E777 IonicContact NZ-OE1 2.72Å; K398-E777 PolarHBondContact NZ-OE1 3.1Å; K398-E777 IonicContact NZ-OE2 2.64Å; K398-L780 HydrophobicContact CB-CD1 4.41Å
399Q86.4Confident84.6Confident139 Ų13982.4 Ų82.465%0.6539%0.387SS*.Hα-helixtrans-63.3-50.7174-74.8177.5-9.100111.4A395 I396 W401 F402 E403A395-Q399 WeakPolarHBondContact O-CG 3.42Å; A395-Q399 PolarHBondContact O-N 2.86Å; I396-Q399 PolarHBondContact O-N 3.11Å; Q399-W401 VanDerWaalsContact C-N 3.29Å; Q399-W401 PolarHBondContact O-N 3.05Å; Q399-F402 PolarHBondContact O-N 3.4Å; Q399-F402 VanDerWaalsContact O-N 3.13Å; Q399-E403 PolarHBondContact O-N 3.29Å
400F84.4Confident85Confident89 Ų8985 Ų8539%0.3940%0.399SS..Hα-helixtrans-58.9-39177.9-176.2-99.5000112.5I396 E403 Q404 P859I396-F400 PolarHBondContact O-N 3.35Å; F400-E403 PolarHBondContact O-N 3.44Å; F400-Q404 HydrophobicContact CD1-CG 4.24Å; F400-Q404 HydrophobicContact CE1-CG 3.86Å; F400-Q404 HydrophobicContact CE2-CG 4.48Å; F400-Q404 HydrophobicContact CZ-CG 4.01Å; F400-Q404 WeakPolarHBondContact O-CG 3.16Å; F400-Q404 PolarHBondContact O-N 3.45Å; F400-P859 HydrophobicContact CD1-CG 4.36Å; F400-P859 HydrophobicContact CE1-CB 4.18Å; F400-P859 HydrophobicContact CE1-CG 3.84Å
401W83.4Confident85.4Confident17 Ų1785.2 Ų85.26%0.06441%0.408CS..Hα-helixtrans-62.3-42.8175.4-176.6-121.6000112.8L397 Q399 R405 D776 L780 P859 L862 V863 I866L397-W401 WeakPolarHBondContact O-CB 3.28Å; L397-W401 PolarHBondContact O-N 3.29Å; Q399-W401 VanDerWaalsContact C-N 3.29Å; Q399-W401 PolarHBondContact O-N 3.05Å; W401-R405 WeakPolarHBondContact O-CB 3.47Å; W401-R405 PolarHBondContact O-N 2.88Å; W401-D776 PolarHBondContact NE1-OD2 3.37Å; W401-D776 VanDerWaalsContact NE1-OD2 3.14Å; W401-L780 HydrophobicContact CB-CD1 3.89Å; W401-L780 HydrophobicContact CG-CD1 4.12Å; W401-P859 HydrophobicContact CE3-CB 4.2Å; W401-P859 HydrophobicContact CZ3-CB 4.31Å; W401-L862 HydrophobicContact CH2-CB 4.39Å; W401-L862 HydrophobicContact CH2-CD2 3.32Å; W401-L862 HydrophobicContact CH2-CG 4.45Å; W401-L862 HydrophobicContact CZ2-CD2 3.32Å; W401-L862 HydrophobicContact CZ3-CD2 4.15Å; W401-V863 HydrophobicContact CH2-CG2 3.96Å; W401-V863 HydrophobicContact CZ3-CG2 3.92Å; W401-I866 HydrophobicContact CH2-CD1 4.05Å; W401-I866 HydrophobicContact CZ2-CD1 3.8Å
402F85.8Confident85.3Confident114 Ų11482 Ų8250%0.540%0.4SS..Hα-helixtrans-67.3-40.1175.2-74.7-56000112.5K398 Q399 R405 A406K398-F402 HydrophobicContact CD-CE2 4.31Å; K398-F402 HydrophobicContact CG-CD2 4.09Å; K398-F402 HydrophobicContact CG-CE2 3.69Å; K398-F402 WeakPolarHBondContact O-CD2 3.27Å; K398-F402 PolarHBondContact O-N 3.49Å; Q399-F402 PolarHBondContact O-N 3.4Å; Q399-F402 VanDerWaalsContact O-N 3.13Å; F402-R405 PolarHBondContact O-N 3.42Å; F402-A406 WeakPolarHBondContact O-CB 3.43Å; F402-A406 PolarHBondContact O-N 3.2Å
403E87.8Confident85.5Confident92 Ų9283.4 Ų83.443%0.4340%0.401SS..Hα-helixtrans-61.2-46.5177.5-165.4-165.1157.800111.6Q399 F400 R405 A406 K407Q399-E403 PolarHBondContact O-N 3.29Å; F400-E403 PolarHBondContact O-N 3.44Å; E403-R405 VanDerWaalsContact C-N 3.33Å; E403-R405 PolarHBondContact O-N 3.26Å; E403-A406 PolarHBondContact O-N 3.2Å; E403-K407 HydrophobicContact CG-CD 4.45Å; E403-K407 WeakPolarHBondContact O-CB 2.97Å; E403-K407 WeakPolarHBondContact O-CG 3.36Å; E403-K407 PolarHBondContact O-N 3.01Å; E403-K407 WeakPolarHBondContact OE1-CE 3.32Å; E403-K407 IonicContact OE1-NZ 3.94Å; E403-K407 PolarHBondContact OE1-NZ 2.71Å
404Q83.2Confident86Confident55 Ų5585.7 Ų85.726%0.25741%0.411SS..Hα-helixtrans-60.8-40.1174.3-77-73.57.100112.2F400 R408F400-Q404 HydrophobicContact CD1-CG 4.24Å; F400-Q404 HydrophobicContact CE1-CG 3.86Å; F400-Q404 HydrophobicContact CE2-CG 4.48Å; F400-Q404 HydrophobicContact CZ-CG 4.01Å; F400-Q404 WeakPolarHBondContact O-CG 3.16Å; F400-Q404 PolarHBondContact O-N 3.45Å; Q404-R408 WeakPolarHBondContact O-CB 3.33Å; Q404-R408 WeakPolarHBondContact O-CD 3.23Å; Q404-R408 VanDerWaalsContact O-CG 3.23Å; Q404-R408 WeakPolarHBondContact O-CG 3.19Å; Q404-R408 PolarHBondContact O-N 3.32Å; Q404-R408 VanDerWaalsContact O-N 3.08Å
405R83.3Confident86.1Confident108 Ų10892.7 Ų92.741%0.40844%0.437SS..Hα-helixtrans-65.7-41176.7-163176.7-168.6127.4-5.8111.9W401 F402 E403 R408 Q409 D776W401-R405 WeakPolarHBondContact O-CB 3.47Å; W401-R405 PolarHBondContact O-N 2.88Å; F402-R405 PolarHBondContact O-N 3.42Å; E403-R405 VanDerWaalsContact C-N 3.33Å; E403-R405 PolarHBondContact O-N 3.26Å; R405-R408 PolarHBondContact O-N 3.28Å; R405-Q409 WeakPolarHBondContact O-CG 3.49Å; R405-Q409 PolarHBondContact O-N 2.67Å; R405-D776 IonicContact NH1-OD2 2.68Å; R405-D776 PolarHBondContact NH1-OD2 2.92Å
406A86.8Confident86.2Confident52 Ų5296 Ų9643%0.4344%0.444SS..Hα-helixtrans-66.4-48.7176.600000111.9F402 E403 R408 Q409 Q410F402-A406 WeakPolarHBondContact O-CB 3.43Å; F402-A406 PolarHBondContact O-N 3.2Å; E403-A406 PolarHBondContact O-N 3.2Å; A406-R408 PolarHBondContact O-N 3.24Å; A406-Q409 PolarHBondContact O-N 3.15Å; A406-Q409 VanDerWaalsContact O-N 3.09Å; A406-Q410 PolarHBondContact O-N 3.38Å
407K87.1Confident86.5Confident107 Ų10796.6 Ų96.647%0.46544%0.44SS..Hα-helixtrans-54.2-39.3174.1-75.7175.9178.5172.50112E403 A411E403-K407 HydrophobicContact CG-CD 4.45Å; E403-K407 WeakPolarHBondContact O-CB 2.97Å; E403-K407 WeakPolarHBondContact O-CG 3.36Å; E403-K407 PolarHBondContact O-N 3.01Å; E403-K407 WeakPolarHBondContact OE1-CE 3.32Å; E403-K407 IonicContact OE1-NZ 3.94Å; E403-K407 PolarHBondContact OE1-NZ 2.71Å; K407-A411 VanDerWaalsContact O-CB 3.31Å; K407-A411 WeakPolarHBondContact O-CB 3.32Å; K407-A411 PolarHBondContact O-N 2.86Å
408R81.5Confident86.7Confident94 Ų9497.8 Ų97.836%0.35545%0.445SS..Hα-helixtrans-69.8-39.8176.7-75.7168.4167.4-97.1-16.1113.5Q404 R405 A406 A411 S412 V863Q404-R408 WeakPolarHBondContact O-CB 3.33Å; Q404-R408 WeakPolarHBondContact O-CD 3.23Å; Q404-R408 VanDerWaalsContact O-CG 3.23Å; Q404-R408 WeakPolarHBondContact O-CG 3.19Å; Q404-R408 PolarHBondContact O-N 3.32Å; Q404-R408 VanDerWaalsContact O-N 3.08Å; R405-R408 PolarHBondContact O-N 3.28Å; A406-R408 PolarHBondContact O-N 3.24Å; R408-A411 PolarHBondContact O-N 2.86Å; R408-S412 PolarHBondContact O-N 3.37Å; R408-V863 VanDerWaalsContact NE-CG2 3.33Å
409Q82.1Confident86.8Confident129 Ų129100.2 Ų100.260%0.60346%0.456SS*.Hα-helixtrans-64.5-44.7173.4-74172.1-32.400111.1R405 A406 A411 S412 Y413R405-Q409 WeakPolarHBondContact O-CG 3.49Å; R405-Q409 PolarHBondContact O-N 2.67Å; A406-Q409 PolarHBondContact O-N 3.15Å; A406-Q409 VanDerWaalsContact O-N 3.09Å; Q409-A411 PolarHBondContact O-N 3.13Å; Q409-S412 PolarHBondContact O-N 3.02Å; Q409-Y413 WeakPolarHBondContact O-CB 3.36Å; Q409-Y413 PolarHBondContact O-N 2.92Å
410Q90.5Very high86.8Confident140 Ų14097.4 Ų97.465%0.65444%0.444SS*.Hα-helixtrans-61.6-42.4175-169.3-178.215.300112.1A406 Y413 K414A406-Q410 PolarHBondContact O-N 3.38Å; Q410-Y413 PolarHBondContact O-N 2.99Å; Q410-K414 VanDerWaalsContact O-CB 3.31Å; Q410-K414 WeakPolarHBondContact O-CB 3.43Å; Q410-K414 PolarHBondContact O-N 3.15Å
411A88.4Confident86.9Confident44 Ų4497.6 Ų97.636%0.36445%0.446SS..Hα-helixtrans-66.2-35.9176.400000113K407 R408 Q409 R415K407-A411 VanDerWaalsContact O-CB 3.31Å; K407-A411 WeakPolarHBondContact O-CB 3.32Å; K407-A411 PolarHBondContact O-N 2.86Å; R408-A411 PolarHBondContact O-N 2.86Å; Q409-A411 PolarHBondContact O-N 3.13Å; A411-R415 WeakPolarHBondContact O-CG 3.34Å; A411-R415 PolarHBondContact O-N 3.32Å; A411-R415 VanDerWaalsContact O-N 3.15Å
412S83.2Confident86.9Confident53 Ų53101.4 Ų101.437%0.37147%0.468SS..Hα-helixtrans-68.6-46.1173.3-154.60000111.1R408 Q409 K414 R415 H416R408-S412 PolarHBondContact O-N 3.37Å; Q409-S412 PolarHBondContact O-N 3.02Å; S412-K414 PolarHBondContact O-N 3.39Å; S412-R415 PolarHBondContact O-N 2.94Å; S412-H416 PolarHBondContact O-CD2 3.14Å; S412-H416 PolarHBondContact O-N 3.38Å; S412-H416 PolarHBondContact OG-NE2 2.8Å
413Y89.6Confident86.7Confident158 Ų15899.9 Ų99.962%0.6247%0.465SS*.Hα-helixtrans-57.2-47.7175.4175.6-96.8000111.5Q409 Q410 R415 H416 Y417Q409-Y413 WeakPolarHBondContact O-CB 3.36Å; Q409-Y413 PolarHBondContact O-N 2.92Å; Q410-Y413 PolarHBondContact O-N 2.99Å; Y413-R415 PolarHBondContact O-N 3.13Å; Y413-H416 PolarHBondContact O-N 3.05Å; Y413-H416 VanDerWaalsContact O-N 3.16Å; Y413-Y417 WeakPolarHBondContact O-CB 3.49Å; Y413-Y417 PolarHBondContact O-N 3.44Å
414K92.1Very high86.6Confident118 Ų11898.3 Ų98.351%0.51346%0.459SS..Hα-helixtrans-56.7-47.4177.3177.4169.5172.6173.90111.7Q410 S412 H416 Y417 E418Q410-K414 VanDerWaalsContact O-CB 3.31Å; Q410-K414 WeakPolarHBondContact O-CB 3.43Å; Q410-K414 PolarHBondContact O-N 3.15Å; S412-K414 PolarHBondContact O-N 3.39Å; K414-H416 PolarHBondContact O-N 3.46Å; K414-Y417 PolarHBondContact O-N 3.07Å; K414-E418 WeakPolarHBondContact CE-OE1 3.36Å; K414-E418 WeakPolarHBondContact CE-OE2 3.28Å; K414-E418 HydrophobicContact CG-CG 4.25Å; K414-E418 WeakPolarHBondContact CG-OE2 3.48Å; K414-E418 IonicContact NZ-OE1 3.61Å; K414-E418 PolarHBondContact NZ-OE1 3.37Å; K414-E418 WeakPolarHBondContact O-CB 3.41Å; K414-E418 WeakPolarHBondContact O-CG 3.49Å; K414-E418 PolarHBondContact O-N 3.18Å
415R88.2Confident86.7Confident180 Ų180100.1 Ų100.168%0.67947%0.47SS*.Hα-helixtrans-60.2-40.8176-72.3170.4-178.6174.9-0.6113.2A411 S412 Y413 F419A411-R415 WeakPolarHBondContact O-CG 3.34Å; A411-R415 PolarHBondContact O-N 3.32Å; A411-R415 VanDerWaalsContact O-N 3.15Å; S412-R415 PolarHBondContact O-N 2.94Å; Y413-R415 PolarHBondContact O-N 3.13Å; R415-F419 VanDerWaalsContact O-CB 3.3Å; R415-F419 WeakPolarHBondContact O-CB 3.4Å; R415-F419 PolarHBondContact O-N 3.43Å
416H89.4Confident86.8Confident112 Ų11297.2 Ų97.252%0.51946%0.464SS..Hα-helixtrans-69-37.7176.8-62.8-48.7000112S412 Y413 K414 I420S412-H416 PolarHBondContact O-CD2 3.14Å; S412-H416 PolarHBondContact O-N 3.38Å; S412-H416 PolarHBondContact OG-NE2 2.8Å; Y413-H416 PolarHBondContact O-N 3.05Å; Y413-H416 VanDerWaalsContact O-N 3.16Å; K414-H416 PolarHBondContact O-N 3.46Å; H416-I420 WeakPolarHBondContact O-CD1 3.44Å; H416-I420 VanDerWaalsContact O-CG1 3.22Å; H416-I420 WeakPolarHBondContact O-CG1 3.38Å; H416-I420 PolarHBondContact O-N 3.13Å
417Y91.8Very high86.7Confident118 Ų11896.1 Ų96.146%0.46345%0.451SS..Hα-helixtrans-67.5-45176.1179.6-91.8000111.8Y413 K414 F419 I420 Q421Y413-Y417 WeakPolarHBondContact O-CB 3.49Å; Y413-Y417 PolarHBondContact O-N 3.44Å; K414-Y417 PolarHBondContact O-N 3.07Å; Y417-F419 PolarHBondContact O-N 2.93Å; Y417-I420 PolarHBondContact O-N 3.37Å; Y417-Q421 HydrophobicContact CE1-CB 4.47Å; Y417-Q421 VanDerWaalsContact CZ-OE1 3.31Å; Y417-Q421 WeakPolarHBondContact O-CB 3.44Å; Y417-Q421 PolarHBondContact O-N 3.08Å; Y417-Q421 PolarHBondContact OH-OE1 2.93Å
418E90.5Very high86.7Confident74 Ų7495.1 Ų95.135%0.34645%0.45SS..Hα-helixtrans-61-42.8174.7-72.8171.8141.900111.7K414 Q421 N422K414-E418 WeakPolarHBondContact CE-OE1 3.36Å; K414-E418 WeakPolarHBondContact CE-OE2 3.28Å; K414-E418 HydrophobicContact CG-CG 4.25Å; K414-E418 WeakPolarHBondContact CG-OE2 3.48Å; K414-E418 IonicContact NZ-OE1 3.61Å; K414-E418 PolarHBondContact NZ-OE1 3.37Å; K414-E418 WeakPolarHBondContact O-CB 3.41Å; K414-E418 WeakPolarHBondContact O-CG 3.49Å; K414-E418 PolarHBondContact O-N 3.18Å; E418-Q421 PolarHBondContact O-N 3.49Å; E418-N422 VanDerWaalsContact O-CB 3.23Å; E418-N422 WeakPolarHBondContact O-CB 3.32Å; E418-N422 VanDerWaalsContact O-CG 3.23Å; E418-N422 PolarHBondContact O-N 2.94Å; E418-N422 PolarHBondContact O-ND2 3.31Å
419F86.7Confident86.9Confident111 Ų11195.7 Ų95.749%0.48746%0.46SS..Hα-helixtrans-61.2-42.9173.5176.7-109.8000112.7R415 Y417 D423 I424R415-F419 VanDerWaalsContact O-CB 3.3Å; R415-F419 WeakPolarHBondContact O-CB 3.4Å; R415-F419 PolarHBondContact O-N 3.43Å; Y417-F419 PolarHBondContact O-N 2.93Å; F419-D423 HydrophobicContact CD2-CB 4.34Å; F419-D423 WeakPolarHBondContact CD2-OD2 3.43Å; F419-D423 HydrophobicContact CE2-CB 4.4Å; F419-D423 WeakPolarHBondContact O-CB 3.47Å; F419-D423 PolarHBondContact O-N 3.4Å; F419-D423 VanDerWaalsContact O-N 3.14Å; F419-I424 HydrophobicContact CD1-CD1 4.04Å; F419-I424 HydrophobicContact CE1-CD1 3.64Å; F419-I424 HydrophobicContact CE1-CG1 4.26Å; F419-I424 HydrophobicContact CZ-CD1 4.28Å; F419-I424 PolarHBondContact O-N 2.65Å
420I87.6Confident86.8Confident81 Ų8190.8 Ų90.842%0.41544%0.437SS..Iπ-helixtrans-67.3-44.9176.8-69.2162.3000111.1H416 Y417 I424 I425H416-I420 WeakPolarHBondContact O-CD1 3.44Å; H416-I420 VanDerWaalsContact O-CG1 3.22Å; H416-I420 WeakPolarHBondContact O-CG1 3.38Å; H416-I420 PolarHBondContact O-N 3.13Å; Y417-I420 PolarHBondContact O-N 3.37Å; I420-I424 HydrophobicContact CG1-CD1 4.2Å; I420-I424 PolarHBondContact O-N 3.33Å; I420-I425 HydrophobicContact CG2-CD1 4.28Å; I420-I425 HydrophobicContact CG2-CG1 4.35Å; I420-I425 WeakPolarHBondContact O-CG1 3.34Å; I420-I425 PolarHBondContact O-N 3.31Å
421Q85.7Confident86.5Confident92 Ų9285.4 Ų85.443%0.4341%0.412SS..Iπ-helixtrans-70.9-43.4-176.2179.9173.9-17.700112.9Y417 E418 P426Y417-Q421 HydrophobicContact CE1-CB 4.47Å; Y417-Q421 VanDerWaalsContact CZ-OE1 3.31Å; Y417-Q421 WeakPolarHBondContact O-CB 3.44Å; Y417-Q421 PolarHBondContact O-N 3.08Å; Y417-Q421 PolarHBondContact OH-OE1 2.93Å; E418-Q421 PolarHBondContact O-N 3.49Å; Q421-P426 WeakPolarHBondContact O-CD 3.38Å
422N84.5Confident86.5Confident97 Ų9786.7 Ų86.752%0.51942%0.415SS..Iπ-helixtrans-88.4-36.6-171.2-59.8-17.5000112.2E418 P426E418-N422 VanDerWaalsContact O-CB 3.23Å; E418-N422 WeakPolarHBondContact O-CB 3.32Å; E418-N422 VanDerWaalsContact O-CG 3.23Å; E418-N422 PolarHBondContact O-N 2.94Å; E418-N422 PolarHBondContact O-ND2 3.31Å; N422-P426 WeakPolarHBondContact O-CG 3.32Å
423D80.5Confident86.5Confident83 Ų8388 Ų8844%0.44442%0.416SS..Iπ-helixtrans-102.4-54.3-173.7-49.8-32.1000110.9F419 L427F419-D423 HydrophobicContact CD2-CB 4.34Å; F419-D423 WeakPolarHBondContact CD2-OD2 3.43Å; F419-D423 HydrophobicContact CE2-CB 4.4Å; F419-D423 WeakPolarHBondContact O-CB 3.47Å; F419-D423 PolarHBondContact O-N 3.4Å; F419-D423 VanDerWaalsContact O-N 3.14Å; D423-L427 VanDerWaalsContact O-CD1 3.27Å; D423-L427 WeakPolarHBondContact O-CD1 3.49Å; D423-L427 WeakPolarHBondContact O-CG 3.42Å
424I85.3Confident86.1Confident59 Ų5982 Ų8230%0.30339%0.394SS..Iπ-helixtrans-75-43.9-171.3-60.7178.6000113.1F419 I420 L427 L428F419-I424 HydrophobicContact CD1-CD1 4.04Å; F419-I424 HydrophobicContact CE1-CD1 3.64Å; F419-I424 HydrophobicContact CE1-CG1 4.26Å; F419-I424 HydrophobicContact CZ-CD1 4.28Å; F419-I424 PolarHBondContact O-N 2.65Å; I420-I424 HydrophobicContact CG1-CD1 4.2Å; I420-I424 PolarHBondContact O-N 3.33Å; I424-L427 PolarHBondContact O-N 3.31Å; I424-L428 WeakPolarHBondContact O-CB 3.32Å; I424-L428 PolarHBondContact O-N 3.19Å
425I86.3Confident85.8Confident93 Ų9377.2 Ų77.248%0.47738%0.376SS..Hα-helixtrans-64.1-44.9-175.6-75.5177000112.6I420 L428 L429I420-I425 HydrophobicContact CG2-CD1 4.28Å; I420-I425 HydrophobicContact CG2-CG1 4.35Å; I420-I425 WeakPolarHBondContact O-CG1 3.34Å; I420-I425 PolarHBondContact O-N 3.31Å; I425-L428 PolarHBondContact O-N 2.93Å; I425-L429 PolarHBondContact O-N 2.88Å
426P85.5Confident85.5Confident46 Ų4670.3 Ų70.330%0.29936%0.357SS..Hα-helixtrans-63-42.9176.1-27.338.6000113Q421 N422 L428 L429 Q430Q421-P426 WeakPolarHBondContact O-CD 3.38Å; N422-P426 WeakPolarHBondContact O-CG 3.32Å; P426-L428 VanDerWaalsContact C-N 3.3Å; P426-L428 PolarHBondContact O-N 3.32Å; P426-L429 PolarHBondContact O-N 3.26Å; P426-Q430 PolarHBondContact O-N 2.92Å
427L84.9Confident84.9Confident29 Ų2968.1 Ų68.115%0.15235%0.349CS..Hα-helixtrans-58.8-41.3174-69171000111.7D423 I424 F431 F458 L463D423-L427 VanDerWaalsContact O-CD1 3.27Å; D423-L427 WeakPolarHBondContact O-CD1 3.49Å; D423-L427 WeakPolarHBondContact O-CG 3.42Å; I424-L427 PolarHBondContact O-N 3.31Å; L427-F431 WeakPolarHBondContact O-CB 3.18Å; L427-F431 PolarHBondContact O-N 2.81Å; L427-F458 HydrophobicContact CB-CD2 3.96Å; L427-F458 HydrophobicContact CB-CE2 3.94Å; L427-L463 HydrophobicContact CD2-CB 3.8Å; L427-L463 WeakPolarHBondContact O-CD1 3.32Å
428L86.9Confident84.3Confident86 Ų8663.2 Ų63.245%0.4533%0.33SS..Hα-helixtrans-68.7-39.1177.8-176.662.7000111.9I424 I425 P426 F431 V432 F458I424-L428 WeakPolarHBondContact O-CB 3.32Å; I424-L428 PolarHBondContact O-N 3.19Å; I425-L428 PolarHBondContact O-N 2.93Å; P426-L428 VanDerWaalsContact C-N 3.3Å; P426-L428 PolarHBondContact O-N 3.32Å; L428-F431 PolarHBondContact O-N 2.89Å; L428-V432 WeakPolarHBondContact O-CG2 3.44Å; L428-V432 PolarHBondContact O-N 3.3Å; L428-F458 HydrophobicContact CB-CE2 4.08Å; L428-F458 HydrophobicContact CD1-CE2 4.34Å
429L84.9Confident83.7Confident107 Ų10766 Ų6656%0.5634%0.337SS*.Hα-helixtrans-64.2-47.2176.4-174.464.5000110.9I425 P426 F431 V432 M433I425-L429 PolarHBondContact O-N 2.88Å; P426-L429 PolarHBondContact O-N 3.26Å; L429-F431 VanDerWaalsContact C-N 3.33Å; L429-F431 PolarHBondContact O-N 3.26Å; L429-V432 PolarHBondContact O-N 3.5Å; L429-V432 VanDerWaalsContact O-N 3.08Å; L429-M433 HydrophobicContact CD1-CE 4.33Å; L429-M433 WeakPolarHBondContact O-CG 3.29Å; L429-M433 PolarHBondContact O-N 2.94Å
430Q79.9Confident83Confident25 Ų2565.4 Ų65.412%0.11734%0.338CS..Hα-helixtrans-62.3-39.3176.8-170.561.657.300111.7P426 V432 M433 N434 L463 V464P426-Q430 PolarHBondContact O-N 2.92Å; Q430-V432 VanDerWaalsContact C-N 3.3Å; Q430-V432 PolarHBondContact O-N 3.26Å; Q430-M433 PolarHBondContact O-N 2.67Å; Q430-N434 PolarHBondContact NE2-OD1 3.12Å; Q430-N434 VanDerWaalsContact O-CG 3.26Å; Q430-N434 PolarHBondContact O-N 3.41Å; Q430-N434 PolarHBondContact O-OD1 3.03Å; Q430-N434 VanDerWaalsContact O-OD1 3.09Å; Q430-L463 HydrophobicContact CB-CB 4.33Å; Q430-L463 HydrophobicContact CG-CB 4.16Å; Q430-V464 WeakPolarHBondContact CG-O 3.3Å
431F85.6Confident82Confident28 Ų2864.2 Ų64.212%0.12333%0.33CS..Hα-helixtrans-58.8-41.2172.3-175.5-88.1000112L427 L428 L429 V435 F451 W454 F458 L463L427-F431 WeakPolarHBondContact O-CB 3.18Å; L427-F431 PolarHBondContact O-N 2.81Å; L428-F431 PolarHBondContact O-N 2.89Å; L429-F431 VanDerWaalsContact C-N 3.33Å; L429-F431 PolarHBondContact O-N 3.26Å; F431-V435 HydrophobicContact CD1-CG2 4.32Å; F431-V435 HydrophobicContact CE1-CG2 4.07Å; F431-V435 VanDerWaalsContact O-CG2 3.26Å; F431-V435 WeakPolarHBondContact O-CG2 3.15Å; F431-V435 PolarHBondContact O-N 3.25Å; F431-F451 AromaticContact CE1-CE2 3.84Å; F431-F451 HydrophobicContact CE1-CE2 3.84Å; F431-F451 HydrophobicContact CE1-CZ 4.17Å; F431-F451 HydrophobicContact CZ-CD2 4.03Å; F431-F451 HydrophobicContact CZ-CE1 4.42Å; F431-F451 AromaticContact CZ-CE2 3.53Å; F431-F451 HydrophobicContact CZ-CE2 3.53Å; F431-F451 AromaticContact CZ-CZ 3.76Å; F431-F451 HydrophobicContact CZ-CZ 3.76Å; F431-W454 HydrophobicContact CD2-CB 3.87Å; F431-W454 HydrophobicContact CE2-CB 3.62Å; F431-F458 HydrophobicContact CB-CD2 4.49Å; F431-F458 HydrophobicContact CD2-CB 4.28Å; F431-L463 HydrophobicContact CB-CD1 3.83Å; F431-L463 HydrophobicContact CD2-CD1 4.34Å
432V86.9Confident81.2Confident71 Ų7161.6 Ų61.643%0.4332%0.32SS..Hα-helixtrans-70.7-37.3177.2172.30000112L428 L429 Q430 V435 A436L428-V432 WeakPolarHBondContact O-CG2 3.44Å; L428-V432 PolarHBondContact O-N 3.3Å; L429-V432 PolarHBondContact O-N 3.5Å; L429-V432 VanDerWaalsContact O-N 3.08Å; Q430-V432 VanDerWaalsContact C-N 3.3Å; Q430-V432 PolarHBondContact O-N 3.26Å; V432-V435 PolarHBondContact O-N 3.49Å; V432-A436 WeakPolarHBondContact O-CB 3.43Å; V432-A436 PolarHBondContact O-N 3.01Å
433M83.3Confident80.3Confident81 Ų8160 Ų6040%0.39933%0.326SS..Hα-helixtrans-62.1-50.3173.6-65.2-59.493.300111.2L429 Q430 V435 A436 D437L429-M433 HydrophobicContact CD1-CE 4.33Å; L429-M433 WeakPolarHBondContact O-CG 3.29Å; L429-M433 PolarHBondContact O-N 2.94Å; Q430-M433 PolarHBondContact O-N 2.67Å; M433-V435 PolarHBondContact O-N 3.04Å; M433-V435 VanDerWaalsContact O-N 3.17Å; M433-A436 CarbonylContact O-C 3.58Å; M433-A436 WeakPolarHBondContact O-CA 3.44Å; M433-A436 WeakPolarHBondContact O-CB 3.31Å; M433-A436 PolarHBondContact O-N 3.01Å; M433-D437 PolarHBondContact O-N 3.08Å
434N82.6Confident79.7Confident30 Ų3059.9 Ų59.916%0.1632%0.322CS..Hα-helixtrans-53.7-41175.6-66.810.1000112.1Q430 Y438 W454Q430-N434 PolarHBondContact NE2-OD1 3.12Å; Q430-N434 VanDerWaalsContact O-CG 3.26Å; Q430-N434 PolarHBondContact O-N 3.41Å; Q430-N434 PolarHBondContact O-OD1 3.03Å; Q430-N434 VanDerWaalsContact O-OD1 3.09Å; N434-Y438 WeakPolarHBondContact O-CB 3.48Å; N434-Y438 PolarHBondContact O-N 3.18Å; N434-Y438 VanDerWaalsContact O-N 3.16Å; N434-W454 HydrophobicContact CB-CD2 4.11Å; N434-W454 HydrophobicContact CB-CE3 4.12Å; N434-W454 HydrophobicContact CB-CH2 3.9Å; N434-W454 HydrophobicContact CB-CZ2 3.88Å; N434-W454 HydrophobicContact CB-CZ3 4.02Å; N434-W454 WeakPolarHBondContact O-CH2 3.3Å
435V84.2Confident79Confident19 Ų1961.7 Ų61.712%0.11533%0.332CS..Hα-helixtrans-68.7-35.1175.8170.40000112.6F431 V432 M433 R439 V446 W454F431-V435 HydrophobicContact CD1-CG2 4.32Å; F431-V435 HydrophobicContact CE1-CG2 4.07Å; F431-V435 VanDerWaalsContact O-CG2 3.26Å; F431-V435 WeakPolarHBondContact O-CG2 3.15Å; F431-V435 PolarHBondContact O-N 3.25Å; V432-V435 PolarHBondContact O-N 3.49Å; M433-V435 PolarHBondContact O-N 3.04Å; M433-V435 VanDerWaalsContact O-N 3.17Å; V435-R439 WeakPolarHBondContact O-CD 3.47Å; V435-R439 VanDerWaalsContact O-CG 3.23Å; V435-R439 WeakPolarHBondContact O-CG 3.49Å; V435-R439 PolarHBondContact O-N 3.31Å; V435-V446 HydrophobicContact CB-CG2 4.43Å; V435-V446 HydrophobicContact CG1-CG2 4.09Å; V435-V446 HydrophobicContact CG2-CG2 4.3Å; V435-W454 HydrophobicContact CB-CZ3 4.43Å; V435-W454 HydrophobicContact CG2-CE3 3.96Å; V435-W454 HydrophobicContact CG2-CZ3 3.72Å
436A82.4Confident78.5Confident34 Ų3458.2 Ų58.228%0.28132%0.315SS..Hα-helixtrans-69.9-49.5175.800000111.3V432 M433 Y438 R439 I440V432-A436 WeakPolarHBondContact O-CB 3.43Å; V432-A436 PolarHBondContact O-N 3.01Å; M433-A436 CarbonylContact O-C 3.58Å; M433-A436 WeakPolarHBondContact O-CA 3.44Å; M433-A436 WeakPolarHBondContact O-CB 3.31Å; M433-A436 PolarHBondContact O-N 3.01Å; A436-Y438 VanDerWaalsContact C-N 3.35Å; A436-Y438 PolarHBondContact O-N 3.47Å; A436-R439 WeakPolarHBondContact O-CA 3.42Å; A436-R439 WeakPolarHBondContact O-CB 3.47Å; A436-R439 PolarHBondContact O-N 3.01Å; A436-I440 WeakPolarHBondContact O-CG1 3.37Å; A436-I440 PolarHBondContact O-N 3.25Å
437D77.5Confident77.7Confident67 Ų6758.2 Ų58.236%0.35831%0.314SS..Hα-helixtrans-57.2-46.5179.3-66.8-29.1000111.4M433 R439 I440 F441M433-D437 PolarHBondContact O-N 3.08Å; D437-R439 VanDerWaalsContact C-N 3.3Å; D437-R439 PolarHBondContact O-N 2.92Å; D437-I440 WeakPolarHBondContact O-CB 3.37Å; D437-I440 PolarHBondContact O-N 2.93Å; D437-I440 VanDerWaalsContact O-N 3.12Å; D437-F441 HydrophobicContact CB-CE1 4.46Å; D437-F441 HydrophobicContact CB-CE2 4.01Å; D437-F441 HydrophobicContact CB-CZ 3.88Å; D437-F441 VanDerWaalsContact O-CD1 3.3Å; D437-F441 WeakPolarHBondContact O-CD1 3.38Å; D437-F441 WeakPolarHBondContact O-CD2 3.49Å; D437-F441 WeakPolarHBondContact O-CG 3.27Å; D437-F441 PolarHBondContact O-N 2.83Å
438Y78.5Confident76.8Confident14 Ų1460.5 Ų60.56%0.05533%0.327CS..Hα-helixtrans-59.9-38.7176-173.5-80.6000113.2N434 A436 F441 T442 V446 P447 L450 W454 I1165N434-Y438 WeakPolarHBondContact O-CB 3.48Å; N434-Y438 PolarHBondContact O-N 3.18Å; N434-Y438 VanDerWaalsContact O-N 3.16Å; A436-Y438 VanDerWaalsContact C-N 3.35Å; A436-Y438 PolarHBondContact O-N 3.47Å; Y438-F441 PolarHBondContact O-N 3.15Å; Y438-T442 HydrophobicContact CD1-CG2 4.23Å; Y438-T442 HydrophobicContact CE1-CG2 3.7Å; Y438-T442 VanDerWaalsContact CE1-OG1 3.26Å; Y438-T442 WeakPolarHBondContact CE1-OG1 3.47Å; Y438-T442 HydrophobicContact CE2-CG2 4.09Å; Y438-T442 WeakPolarHBondContact O-CB 3.35Å; Y438-T442 PolarHBondContact O-N 2.83Å; Y438-T442 PolarHBondContact O-OG1 3.15Å; Y438-V446 HydrophobicContact CD1-CB 4.3Å; Y438-V446 HydrophobicContact CD1-CG2 3.82Å; Y438-V446 HydrophobicContact CG-CG2 4.12Å; Y438-P447 HydrophobicContact CE1-CG 4.49Å; Y438-P447 WeakPolarHBondContact OH-CD 3.42Å; Y438-P447 VanDerWaalsContact OH-CG 3.29Å; Y438-P447 WeakPolarHBondContact OH-CG 3.42Å; Y438-L450 HydrophobicContact CD2-CD2 3.48Å; Y438-L450 VanDerWaalsContact CD2-CD2 3.48Å; Y438-L450 HydrophobicContact CE2-CD2 3.56Å; Y438-L450 HydrophobicContact CG-CD2 4.41Å; Y438-W454 HydrophobicContact CD2-CH2 4.47Å; Y438-W454 HydrophobicContact CG-CH2 4.43Å; Y438-I1165 HydrophobicContact CE2-CD1 3.71Å; Y438-I1165 HydrophobicContact CE2-CG2 4.19Å
439R79.1Confident76.1Confident133 Ų13358 Ų5850%0.50231%0.311SS..Hα-helixtrans-67.9-39175.9-71.7169.7-176.6-144.62.9111.1V435 A436 D437 G443V435-R439 WeakPolarHBondContact O-CD 3.47Å; V435-R439 VanDerWaalsContact O-CG 3.23Å; V435-R439 WeakPolarHBondContact O-CG 3.49Å; V435-R439 PolarHBondContact O-N 3.31Å; A436-R439 WeakPolarHBondContact O-CA 3.42Å; A436-R439 WeakPolarHBondContact O-CB 3.47Å; A436-R439 PolarHBondContact O-N 3.01Å; D437-R439 VanDerWaalsContact C-N 3.3Å; D437-R439 PolarHBondContact O-N 2.92Å; R439-G443 VanDerWaalsContact O-CA 3.31Å; R439-G443 WeakPolarHBondContact O-CA 3.37Å; R439-G443 PolarHBondContact O-N 3.44Å
440I71.2Confident75.6Confident98 Ų9854.7 Ų54.750%0.50329%0.294SS..Hα-helixtrans-63-43.7174.1-67.4164000110.6A436 D437 Y1169A436-I440 WeakPolarHBondContact O-CG1 3.37Å; A436-I440 PolarHBondContact O-N 3.25Å; D437-I440 WeakPolarHBondContact O-CB 3.37Å; D437-I440 PolarHBondContact O-N 2.93Å; D437-I440 VanDerWaalsContact O-N 3.12Å; I440-Y1169 HydrophobicContact CG2-CE2 3.99Å
441F67.5Low75.6Confident57 Ų5757.7 Ų57.725%0.2531%0.307CS..Hα-helixtrans-66.2-45.5-179.1-58.7-18.7000112.6D437 Y438 I1165 Y1169 K1172D437-F441 HydrophobicContact CB-CE1 4.46Å; D437-F441 HydrophobicContact CB-CE2 4.01Å; D437-F441 HydrophobicContact CB-CZ 3.88Å; D437-F441 VanDerWaalsContact O-CD1 3.3Å; D437-F441 WeakPolarHBondContact O-CD1 3.38Å; D437-F441 WeakPolarHBondContact O-CD2 3.49Å; D437-F441 WeakPolarHBondContact O-CG 3.27Å; D437-F441 PolarHBondContact O-N 2.83Å; Y438-F441 PolarHBondContact O-N 3.15Å; F441-I1165 HydrophobicContact CB-CG2 4.32Å; F441-Y1169 HydrophobicContact CB-CD2 4.38Å; F441-Y1169 HydrophobicContact CB-CG 4.11Å; F441-Y1169 AromaticContact CD1-CD1 3.28Å; F441-Y1169 HydrophobicContact CD1-CD1 3.28Å; F441-Y1169 HydrophobicContact CD1-CD2 4.06Å; F441-Y1169 AromaticContact CD1-CE1 3.66Å; F441-Y1169 HydrophobicContact CD1-CE1 3.66Å; F441-Y1169 HydrophobicContact CD1-CE2 4.38Å; F441-Y1169 AromaticContact CD1-CG 3.49Å; F441-Y1169 HydrophobicContact CD1-CG 3.49Å; F441-Y1169 VanDerWaalsContact CD1-CG 3.49Å; F441-Y1169 AromaticContact CE1-CD1 3.64Å; F441-Y1169 HydrophobicContact CE1-CD1 3.64Å; F441-Y1169 AromaticContact CE1-CE1 3.81Å; F441-Y1169 HydrophobicContact CE1-CE1 3.81Å; F441-Y1169 HydrophobicContact CE1-CG 4.31Å; F441-Y1169 HydrophobicContact CG-CD1 4.24Å; F441-Y1169 HydrophobicContact CG-CG 4.1Å; F441-K1172 PolarHBondContact O-NZ 3.39Å
442T67.1Low75.1Confident36 Ų3659.8 Ų59.822%0.22131%0.314CS..Hα-helixtrans-103.7-24.9-167.764.90000115.5Y438 K444 I1165Y438-T442 HydrophobicContact CD1-CG2 4.23Å; Y438-T442 HydrophobicContact CE1-CG2 3.7Å; Y438-T442 VanDerWaalsContact CE1-OG1 3.26Å; Y438-T442 WeakPolarHBondContact CE1-OG1 3.47Å; Y438-T442 HydrophobicContact CE2-CG2 4.09Å; Y438-T442 WeakPolarHBondContact O-CB 3.35Å; Y438-T442 PolarHBondContact O-N 2.83Å; Y438-T442 PolarHBondContact O-OG1 3.15Å; T442-K444 PolarHBondContact O-N 3.48Å; T442-K444 PolarHBondContact OG1-N 2.9Å; T442-K444 VanDerWaalsContact OG1-N 3.15Å; T442-K444 PolarHBondContact OG1-O 2.93Å; T442-I1165 HydrophobicContact CG2-CG2 3.6Å
443G66.2Low74.7Confident63 Ų6357 Ų5765%0.64930%0.296SS*.SBendtrans66.79.2-167.200000114.3R439R439-G443 VanDerWaalsContact O-CA 3.31Å; R439-G443 WeakPolarHBondContact O-CA 3.37Å; R439-G443 PolarHBondContact O-N 3.44Å
444K69Low74.6Confident82 Ų8254.6 Ų54.636%0.35728%0.282SS..SBendtrans-123.8166.1-176.6-66-172.8178.5-175.30110.7T442 E1595T442-K444 PolarHBondContact O-N 3.48Å; T442-K444 PolarHBondContact OG1-N 2.9Å; T442-K444 VanDerWaalsContact OG1-N 3.15Å; T442-K444 PolarHBondContact OG1-O 2.93Å; K444-E1595 IonicContact NZ-OE1 3.89Å
445L69.3Low74.5Confident97 Ų9758.9 Ų58.951%0.50830%0.3SS..PPolyproline II helixtrans-67.5151174.1-71.9170.3000111.4
446V75.6Confident74.2Confident20 Ų2059.9 Ų59.912%0.12130%0.304CS..PPolyproline II helixtrans-63.1126178-175.60000110.1V435 Y438 L450 F451 W454V435-V446 HydrophobicContact CB-CG2 4.43Å; V435-V446 HydrophobicContact CG1-CG2 4.09Å; V435-V446 HydrophobicContact CG2-CG2 4.3Å; Y438-V446 HydrophobicContact CD1-CB 4.3Å; Y438-V446 HydrophobicContact CD1-CG2 3.82Å; Y438-V446 HydrophobicContact CG-CG2 4.12Å; V446-L450 HydrophobicContact CG1-CB 4.12Å; V446-L450 HydrophobicContact CG1-CD2 4.22Å; V446-L450 HydrophobicContact CG1-CG 4.21Å; V446-F451 HydrophobicContact CG1-CB 4.02Å; V446-W454 HydrophobicContact CB-CZ3 4.49Å; V446-W454 HydrophobicContact CG1-CE3 4.19Å; V446-W454 HydrophobicContact CG1-CH2 4.19Å; V446-W454 HydrophobicContact CG1-CZ3 3.63Å; V446-W454 HydrophobicContact CG2-CZ3 4Å
447P69.4Low74Confident45 Ų4559.4 Ų59.429%0.29230%0.296SS..PPolyproline II helixtrans-58.2142.8176.7-26.534.2000112.3Y438 R449 L450 F451Y438-P447 HydrophobicContact CE1-CG 4.49Å; Y438-P447 WeakPolarHBondContact OH-CD 3.42Å; Y438-P447 VanDerWaalsContact OH-CG 3.29Å; Y438-P447 WeakPolarHBondContact OH-CG 3.42Å; P447-R449 PolarHBondContact O-N 3.24Å; P447-R449 VanDerWaalsContact O-N 3.09Å; P447-L450 PolarHBondContact O-N 3.21Å; P447-L450 VanDerWaalsContact O-N 3.07Å; P447-F451 PolarHBondContact O-N 3.2Å
448L65.7Low74.2Confident78 Ų7859.1 Ų59.141%0.40829%0.292SS..Hα-helixtrans-54.7-33.8-177.5-68179.6000113.4R452 Y528L448-R452 WeakPolarHBondContact O-CG 3.42Å; L448-R452 PolarHBondContact O-N 3.2Å; L448-Y528 HydrophobicContact CD1-CD2 4.44Å; L448-Y528 HydrophobicContact CD1-CG 3.97Å
449R72.2Confident74.2Confident33 Ų3363.4 Ų63.413%0.12532%0.319CS..Hα-helixtrans-61.7-56.2174.5-166.6-158-175.8111.1-2.6111.9P447 F451 R452 Q453 D508 D518P447-R449 PolarHBondContact O-N 3.24Å; P447-R449 VanDerWaalsContact O-N 3.09Å; R449-F451 VanDerWaalsContact C-N 3.29Å; R449-F451 PolarHBondContact O-N 3.41Å; R449-R452 WeakPolarHBondContact O-CB 3.42Å; R449-R452 PolarHBondContact O-N 3.48Å; R449-Q453 VanDerWaalsContact NE-NE2 3.17Å; R449-Q453 WeakPolarHBondContact O-CG 3.45Å; R449-Q453 PolarHBondContact O-N 3.02Å; R449-D508 IonicContact CZ-OD1 2.69Å; R449-D508 IonicContact NE-OD1 2.74Å; R449-D508 IonicContact NH2-OD1 3.86Å; R449-D508 PolarHBondContact NH2-OD1 2.74Å; R449-D508 IonicContact NH2-OD2 2.8Å; R449-D508 PolarHBondContact NH2-OD2 3.04Å; R449-D518 VanDerWaalsContact CD-OD2 3.22Å; R449-D518 WeakPolarHBondContact CD-OD2 3.19Å; R449-D518 WeakPolarHBondContact CG-OD2 3.29Å; R449-D518 IonicContact CZ-OD2 2.73Å; R449-D518 IonicContact NE-OD2 2.73Å; R449-D518 IonicContact NH1-OD2 2.75Å; R449-D518 PolarHBondContact NH1-OD2 3.42Å
450L75.6Confident74Confident38 Ų3860.9 Ų60.920%0.19932%0.315CS..Hα-helixtrans-62.5-39.2-178.1-174.360.3000111.1Y438 V446 P447 R452 Q453 W454Y438-L450 HydrophobicContact CD2-CD2 3.48Å; Y438-L450 VanDerWaalsContact CD2-CD2 3.48Å; Y438-L450 HydrophobicContact CE2-CD2 3.56Å; Y438-L450 HydrophobicContact CG-CD2 4.41Å; V446-L450 HydrophobicContact CG1-CB 4.12Å; V446-L450 HydrophobicContact CG1-CD2 4.22Å; V446-L450 HydrophobicContact CG1-CG 4.21Å; P447-L450 PolarHBondContact O-N 3.21Å; P447-L450 VanDerWaalsContact O-N 3.07Å; L450-R452 VanDerWaalsContact C-N 3.34Å; L450-R452 PolarHBondContact O-N 3.43Å; L450-Q453 PolarHBondContact O-N 3.38Å; L450-W454 HydrophobicContact CD1-CD2 4.43Å; L450-W454 HydrophobicContact CD1-CZ2 3.89Å; L450-W454 HydrophobicContact CD2-CH2 3.81Å; L450-W454 HydrophobicContact CD2-CZ2 3.64Å; L450-W454 HydrophobicContact CG-CD2 4.18Å; L450-W454 HydrophobicContact CG-CE3 4.49Å; L450-W454 HydrophobicContact CG-CH2 4Å; L450-W454 HydrophobicContact CG-CZ2 3.64Å; L450-W454 HydrophobicContact CG-CZ3 4.42Å; L450-W454 PolarHBondContact O-N 3.23Å
451F78.4Confident73.8Confident87 Ų8758.1 Ų58.138%0.38231%0.311SS..Hα-helixtrans-64.4-34.4174.1-169.1-90.3000113.1F431 V446 P447 R449 K455F431-F451 AromaticContact CE1-CE2 3.84Å; F431-F451 HydrophobicContact CE1-CE2 3.84Å; F431-F451 HydrophobicContact CE1-CZ 4.17Å; F431-F451 HydrophobicContact CZ-CD2 4.03Å; F431-F451 HydrophobicContact CZ-CE1 4.42Å; F431-F451 AromaticContact CZ-CE2 3.53Å; F431-F451 HydrophobicContact CZ-CE2 3.53Å; F431-F451 AromaticContact CZ-CZ 3.76Å; F431-F451 HydrophobicContact CZ-CZ 3.76Å; V446-F451 HydrophobicContact CG1-CB 4.02Å; P447-F451 PolarHBondContact O-N 3.2Å; R449-F451 VanDerWaalsContact C-N 3.29Å; R449-F451 PolarHBondContact O-N 3.41Å; F451-K455 VanDerWaalsContact O-CB 3.26Å; F451-K455 WeakPolarHBondContact O-CB 3.41Å; F451-K455 PolarHBondContact O-N 3.06Å; F451-K455 VanDerWaalsContact O-N 3.1Å
452R76.1Confident73.9Confident72 Ų7256.9 Ų56.927%0.27231%0.307SS..Hα-helixtrans-68.5-42.9170.9-76.7-176.7-155.8133.64.4111.8L448 R449 L450 K455 I456 E511 G517 D518L448-R452 WeakPolarHBondContact O-CG 3.42Å; L448-R452 PolarHBondContact O-N 3.2Å; R449-R452 WeakPolarHBondContact O-CB 3.42Å; R449-R452 PolarHBondContact O-N 3.48Å; L450-R452 VanDerWaalsContact C-N 3.34Å; L450-R452 PolarHBondContact O-N 3.43Å; R452-K455 CarbonylContact O-C 3.23Å; R452-K455 WeakPolarHBondContact O-CA 3.09Å; R452-K455 WeakPolarHBondContact O-CB 3.47Å; R452-K455 PolarHBondContact O-N 3.13Å; R452-K455 VanDerWaalsContact O-N 3.08Å; R452-I456 WeakPolarHBondContact O-CD1 3.23Å; R452-I456 WeakPolarHBondContact O-CG1 3.13Å; R452-I456 PolarHBondContact O-N 3.17Å; R452-E511 VanDerWaalsContact CD-OE1 3.22Å; R452-E511 WeakPolarHBondContact CD-OE1 3.48Å; R452-E511 IonicContact CZ-OE1 2.71Å; R452-E511 IonicContact NE-OE1 2.84Å; R452-E511 IonicContact NH1-OE1 3.34Å; R452-E511 PolarHBondContact NH1-OE1 3.01Å; R452-E511 IonicContact NH1-OE2 2.83Å; R452-E511 PolarHBondContact NH1-OE2 2.83Å; R452-G517 PolarHBondContact NH1-O 2.87Å; R452-G517 PolarHBondContact NH2-O 3.24Å; R452-D518 IonicContact NH1-OD1 3.03Å
453Q78.1Confident73.6Confident13 Ų1355.8 Ų55.86%0.06130%0.3CS..Hα-helixtrans-59.8-51.3-179.8-68.7175.5-26.900110.4R449 L450 K455 I456 E457 L504 D508R449-Q453 VanDerWaalsContact NE-NE2 3.17Å; R449-Q453 WeakPolarHBondContact O-CG 3.45Å; R449-Q453 PolarHBondContact O-N 3.02Å; L450-Q453 PolarHBondContact O-N 3.38Å; Q453-K455 VanDerWaalsContact C-N 3.26Å; Q453-K455 PolarHBondContact O-N 3.05Å; Q453-I456 WeakPolarHBondContact O-CB 3.28Å; Q453-I456 PolarHBondContact O-N 3.07Å; Q453-E457 WeakPolarHBondContact O-CG 3.28Å; Q453-E457 PolarHBondContact O-N 2.85Å; Q453-L504 HydrophobicContact CB-CD1 4.25Å; Q453-L504 HydrophobicContact CB-CD2 3.87Å; Q453-L504 HydrophobicContact CG-CD2 4.02Å; Q453-D508 PolarHBondContact NE2-OD1 3.25Å
454W81.4Confident73.1Confident30 Ų3054.1 Ų54.111%0.11428%0.277CS..Hα-helixtrans-62.1-29.5172.5-61.5-22.8000114.1F431 N434 V435 Y438 V446 L450 E457 F458F431-W454 HydrophobicContact CD2-CB 3.87Å; F431-W454 HydrophobicContact CE2-CB 3.62Å; N434-W454 HydrophobicContact CB-CD2 4.11Å; N434-W454 HydrophobicContact CB-CE3 4.12Å; N434-W454 HydrophobicContact CB-CH2 3.9Å; N434-W454 HydrophobicContact CB-CZ2 3.88Å; N434-W454 HydrophobicContact CB-CZ3 4.02Å; N434-W454 WeakPolarHBondContact O-CH2 3.3Å; V435-W454 HydrophobicContact CB-CZ3 4.43Å; V435-W454 HydrophobicContact CG2-CE3 3.96Å; V435-W454 HydrophobicContact CG2-CZ3 3.72Å; Y438-W454 HydrophobicContact CD2-CH2 4.47Å; Y438-W454 HydrophobicContact CG-CH2 4.43Å; V446-W454 HydrophobicContact CB-CZ3 4.49Å; V446-W454 HydrophobicContact CG1-CE3 4.19Å; V446-W454 HydrophobicContact CG1-CH2 4.19Å; V446-W454 HydrophobicContact CG1-CZ3 3.63Å; V446-W454 HydrophobicContact CG2-CZ3 4Å; L450-W454 HydrophobicContact CD1-CD2 4.43Å; L450-W454 HydrophobicContact CD1-CZ2 3.89Å; L450-W454 HydrophobicContact CD2-CH2 3.81Å; L450-W454 HydrophobicContact CD2-CZ2 3.64Å; L450-W454 HydrophobicContact CG-CD2 4.18Å; L450-W454 HydrophobicContact CG-CE3 4.49Å; L450-W454 HydrophobicContact CG-CH2 4Å; L450-W454 HydrophobicContact CG-CZ2 3.64Å; L450-W454 HydrophobicContact CG-CZ3 4.42Å; L450-W454 PolarHBondContact O-N 3.23Å; W454-E457 VanDerWaalsContact CD1-OE2 3.3Å; W454-F458 VanDerWaalsContact O-CB 3.27Å; W454-F458 WeakPolarHBondContact O-CB 3.4Å; W454-F458 PolarHBondContact O-N 3.44Å
455K79.8Confident72.2Confident121 Ų12154.6 Ų54.653%0.52628%0.283SS..Hα-helixtrans-71.4-34.5174.5-176.2179.7176.9-175.60112F451 R452 Q453 V459F451-K455 VanDerWaalsContact O-CB 3.26Å; F451-K455 WeakPolarHBondContact O-CB 3.41Å; F451-K455 PolarHBondContact O-N 3.06Å; F451-K455 VanDerWaalsContact O-N 3.1Å; R452-K455 CarbonylContact O-C 3.23Å; R452-K455 WeakPolarHBondContact O-CA 3.09Å; R452-K455 WeakPolarHBondContact O-CB 3.47Å; R452-K455 PolarHBondContact O-N 3.13Å; R452-K455 VanDerWaalsContact O-N 3.08Å; Q453-K455 VanDerWaalsContact C-N 3.26Å; Q453-K455 PolarHBondContact O-N 3.05Å; K455-V459 HydrophobicContact CG-CG2 4.48Å; K455-V459 WeakPolarHBondContact O-CB 3.44Å; K455-V459 VanDerWaalsContact O-CG2 3.26Å; K455-V459 WeakPolarHBondContact O-CG2 3.47Å; K455-V459 PolarHBondContact O-N 2.84Å
456I78.5Confident71.2Confident39 Ų3955 Ų5520%0.229%0.286CS..Hα-helixtrans-67.4-46.8174.1-68.5154.6000109.4R452 Q453 F458 V459 N460 L504 C507R452-I456 WeakPolarHBondContact O-CD1 3.23Å; R452-I456 WeakPolarHBondContact O-CG1 3.13Å; R452-I456 PolarHBondContact O-N 3.17Å; Q453-I456 WeakPolarHBondContact O-CB 3.28Å; Q453-I456 PolarHBondContact O-N 3.07Å; I456-F458 VanDerWaalsContact C-N 3.35Å; I456-F458 PolarHBondContact O-N 3.43Å; I456-V459 PolarHBondContact O-N 3.3Å; I456-N460 WeakPolarHBondContact O-CB 3.35Å; I456-N460 PolarHBondContact O-N 2.98Å; I456-N460 PolarHBondContact O-ND2 3.27Å; I456-L504 HydrophobicContact CB-CD2 4.1Å; I456-L504 HydrophobicContact CD1-CD2 4.26Å; I456-L504 HydrophobicContact CG2-CD2 4.03Å; I456-C507 HydrophobicContact CD1-CB 3.76Å
457E78Confident69.4Low24 Ų2458.4 Ų58.411%0.11232%0.316CS..Hα-helixtrans-57-44.9173.2-66.4161.7-164.200112.1Q453 W454 N460 G461 L462 L463 L504Q453-E457 WeakPolarHBondContact O-CG 3.28Å; Q453-E457 PolarHBondContact O-N 2.85Å; W454-E457 VanDerWaalsContact CD1-OE2 3.3Å; E457-N460 PolarHBondContact O-N 3.05Å; E457-G461 PolarHBondContact O-N 3.44Å; E457-L462 PolarHBondContact O-N 3.36Å; E457-L463 HydrophobicContact CB-CD2 3.79Å; E457-L463 HydrophobicContact CB-CG 4.09Å; E457-L463 VanDerWaalsContact OE2-CD2 3.24Å; E457-L463 WeakPolarHBondContact OE2-CD2 3.36Å; E457-L504 WeakPolarHBondContact OE1-CD1 3.46Å
458F81Confident67.9Low62 Ų6261 Ų6127%0.27234%0.335SS..Hα-helixtrans-62-47.7176177.3-95.8000112.6L427 L428 F431 W454 I456 N460 G461 L463L427-F458 HydrophobicContact CB-CD2 3.96Å; L427-F458 HydrophobicContact CB-CE2 3.94Å; L428-F458 HydrophobicContact CB-CE2 4.08Å; L428-F458 HydrophobicContact CD1-CE2 4.34Å; F431-F458 HydrophobicContact CB-CD2 4.49Å; F431-F458 HydrophobicContact CD2-CB 4.28Å; W454-F458 VanDerWaalsContact O-CB 3.27Å; W454-F458 WeakPolarHBondContact O-CB 3.4Å; W454-F458 PolarHBondContact O-N 3.44Å; I456-F458 VanDerWaalsContact C-N 3.35Å; I456-F458 PolarHBondContact O-N 3.43Å; F458-N460 VanDerWaalsContact C-N 3.28Å; F458-N460 PolarHBondContact O-N 2.94Å; F458-G461 PolarHBondContact O-N 3.41Å; F458-G461 VanDerWaalsContact O-N 3.16Å; F458-L463 HydrophobicContact CB-CD1 3.89Å; F458-L463 HydrophobicContact CD2-CD1 3.99Å; F458-L463 HydrophobicContact CG-CD1 4.46Å
459V79Confident66.6Low104 Ų10462.4 Ų62.463%0.6335%0.352SS*.Hα-helixtrans-65.8-32.1-178.81670000112K455 I456K455-V459 HydrophobicContact CG-CG2 4.48Å; K455-V459 WeakPolarHBondContact O-CB 3.44Å; K455-V459 VanDerWaalsContact O-CG2 3.26Å; K455-V459 WeakPolarHBondContact O-CG2 3.47Å; K455-V459 PolarHBondContact O-N 2.84Å; I456-V459 PolarHBondContact O-N 3.3Å
460N74.6Confident64.7Low79 Ų7965.8 Ų65.842%0.42238%0.376SS..Hα-helixtrans-88.2-4.5176.6-64.9-32.6000113.5I456 E457 F458 L462 L503I456-N460 WeakPolarHBondContact O-CB 3.35Å; I456-N460 PolarHBondContact O-N 2.98Å; I456-N460 PolarHBondContact O-ND2 3.27Å; E457-N460 PolarHBondContact O-N 3.05Å; F458-N460 VanDerWaalsContact C-N 3.28Å; F458-N460 PolarHBondContact O-N 2.94Å; N460-L462 HydrophobicContact CB-CD1 4.24Å; N460-L462 HydrophobicContact CB-CG 4.42Å; N460-L503 HydrophobicContact CB-CD1 4.19Å
461G68.5Low62.7Low40 Ų4073.2 Ų73.241%0.41241%0.41SS..THydrogen-bonded Turntrans7725.4175.200000115.7E457 F458E457-G461 PolarHBondContact O-N 3.44Å; F458-G461 PolarHBondContact O-N 3.41Å; F458-G461 VanDerWaalsContact O-N 3.16Å
462L69Low60.6Low32 Ų3275.5 Ų75.517%0.16843%0.426CS..  trans-108.37.5-168.5-66.4173.2000115.2E457 N460 V464 I496 D499 Q500 L503E457-L462 PolarHBondContact O-N 3.36Å; N460-L462 HydrophobicContact CB-CD1 4.24Å; N460-L462 HydrophobicContact CB-CG 4.42Å; L462-V464 PolarHBondContact O-N 3.03Å; L462-I496 HydrophobicContact CD2-CG2 4.24Å; L462-D499 HydrophobicContact CD1-CB 4.25Å; L462-Q500 HydrophobicContact CB-CG 3.89Å; L462-Q500 HydrophobicContact CD1-CG 4.45Å; L462-Q500 PolarHBondContact O-NE2 3.17Å; L462-L503 HydrophobicContact CD1-CD1 3.35Å
463L59.7Low58.5Low13 Ų1381.7 Ų81.77%0.06846%0.458CS..PPolyproline II helixtrans-63.2120.2179.8-71.2166.4000110.6L427 Q430 F431 E457 F458L427-L463 HydrophobicContact CD2-CB 3.8Å; L427-L463 WeakPolarHBondContact O-CD1 3.32Å; Q430-L463 HydrophobicContact CB-CB 4.33Å; Q430-L463 HydrophobicContact CG-CB 4.16Å; F431-L463 HydrophobicContact CB-CD1 3.83Å; F431-L463 HydrophobicContact CD2-CD1 4.34Å; E457-L463 HydrophobicContact CB-CD2 3.79Å; E457-L463 HydrophobicContact CB-CG 4.09Å; E457-L463 VanDerWaalsContact OE2-CD2 3.24Å; E457-L463 WeakPolarHBondContact OE2-CD2 3.36Å; F458-L463 HydrophobicContact CB-CD1 3.89Å; F458-L463 HydrophobicContact CD2-CD1 3.99Å; F458-L463 HydrophobicContact CG-CD1 4.46Å
464V57.4Low56.5Low28 Ų2885.6 Ų85.617%0.1749%0.493CS..PPolyproline II helixtrans-80.6126.8-175.8162.90000110.1Q430 L462 K493 I496 I497Q430-V464 WeakPolarHBondContact CG-O 3.3Å; L462-V464 PolarHBondContact O-N 3.03Å; V464-K493 HydrophobicContact CG1-CD 4.3Å; V464-K493 VanDerWaalsContact CG1-CE 3.45Å; V464-I496 HydrophobicContact CG2-CG2 3.63Å; V464-I497 HydrophobicContact CG2-CG1 4.25Å
465N49.9Very low54.2Low91 Ų9193.3 Ų93.349%0.48753%0.53SS..PPolyproline II helixtrans-73.3125.2166.3-67-11.5000109.5K493N465-K493 PolarHBondContact O-NZ 2.99Å; N465-K493 VanDerWaalsContact O-NZ 3.15Å
466D47.3Very low52.2Low107 Ų10795 Ų9557%0.57255%0.545SS*.  trans-96.2-1.6166.6-76.8-35.2000112.8S468 K493D466-S468 PolarHBondContact O-N 2.91Å; D466-K493 IonicContact OD1-NZ 2.6Å; D466-K493 PolarHBondContact OD1-NZ 3.36Å
467A38.9Very low50.5Low90 Ų9097.8 Ų97.874%0.74457%0.565SS**THydrogen-bonded Turntrans-71.947.9177.800000114.4
468S38Very low48.7Very low100 Ų100102 Ų10270%0.69959%0.592SS**THydrogen-bonded Turntrans-136.326.8169.871.50000112.1D466 T470D466-S468 PolarHBondContact O-N 2.91Å; S468-T470 VanDerWaalsContact C-N 3.27Å; S468-T470 PolarHBondContact O-N 3.46Å
469S36.4Very low46.8Very low108 Ų108106.8 Ų106.876%0.75562%0.616SS**  trans-9254.4168.1660000110.9
470T33.8Very low45.5Very low103 Ų103110 Ų11063%0.63262%0.624SS**  trans-113.587.8168.4-27.90000106.8S468 D472S468-T470 VanDerWaalsContact C-N 3.27Å; S468-T470 PolarHBondContact O-N 3.46Å; T470-D472 PolarHBondContact O-N 3.11Å
471E33.5Very low44.2Very low195 Ų195113.7 Ų113.791%0.91164%0.639SS**  trans-75.274.3168.2-67.8-176.5148.800107.9Q473E471-Q473 PolarHBondContact O-N 3.19Å
472D34.2Very low42.9Very low135 Ų135118.4 Ų118.472%0.72265%0.652SS**  trans-63.2125.3177.5-83.9-32.7000110.1T470 A474T470-D472 PolarHBondContact O-N 3.11Å; D472-A474 PolarHBondContact O-N 2.98Å; D472-A474 VanDerWaalsContact O-N 3.12Å
473Q31.5Very low42.2Very low201 Ų201119.9 Ų119.994%0.93966%0.664SS**  trans-74.8100.9-179-67.1179.7-1600110.4E471E471-Q473 PolarHBondContact O-N 3.19Å
474A36Very low42Very low96 Ų96124 Ų12479%0.79369%0.686SS**  trans-137.4124.2165.600000109.5D472D472-A474 PolarHBondContact O-N 2.98Å; D472-A474 VanDerWaalsContact O-N 3.12Å
475E32.5Very low41.8Very low192 Ų192126.6 Ų126.690%0.89770%0.702SS**  trans-88.8162.8-179.2-61.8178131.300111.8
476D38.4Very low42Very low157 Ų157124.3 Ų124.384%0.8470%0.696SS**  trans73.1147.5169.8-87.6-2.6000119.3
477P42.3Very low42.4Very low96 Ų96123 Ų12362%0.62369%0.689SS**  -133.8143-116.538.4-22.9000117.6
478V41.2Very low43.1Very low113 Ų113124.7 Ų124.769%0.68568%0.682SS**  trans-14690.7158.6-174.10000109.5
479E40.7Very low43.8Very low163 Ų163125.1 Ų125.176%0.76268%0.675SS**Hα-helixtrans-87.2-27.7-164.4-65.2-169.1113.300116.5S483E479-S483 PolarHBondContact O-N 3.34Å
480E51.5Low44.7Very low171 Ų171126.6 Ų126.680%0.79967%0.668SS**Hα-helixtrans-73.9-34.9-167.7-68.5-165121.400114.9N484E480-N484 PolarHBondContact O-ND2 3.37Å
481E47.3Very low45.7Very low157 Ų157127.4 Ų127.473%0.73467%0.668SS**Hα-helixtrans-79.7-39.7179.1-65.1-161.5149.200112.3S483 N484 V485E481-S483 VanDerWaalsContact C-N 3.32Å; E481-S483 PolarHBondContact O-N 2.88Å; E481-N484 PolarHBondContact O-N 3.41Å; E481-V485 PolarHBondContact O-N 2.99Å
482M41.4Very low46.9Very low139 Ų139124.6 Ų124.669%0.68565%0.653SS**Hα-helixtrans-64.6-34.9178.3-67.8-145.6-61.500112.7N484 V485 A486M482-N484 VanDerWaalsContact C-N 3.28Å; M482-N484 PolarHBondContact O-N 3.28Å; M482-V485 PolarHBondContact O-N 2.95Å; M482-A486 VanDerWaalsContact O-CB 3.32Å; M482-A486 WeakPolarHBondContact O-CB 3.08Å; M482-A486 PolarHBondContact O-N 2.97Å
483S54.3Low48.1Very low62 Ų62121.2 Ų121.243%0.43463%0.632SS.*Hα-helixtrans-53.3-45.7173.9178.50000112E479 E481 N487E479-S483 PolarHBondContact O-N 3.34Å; E481-S483 VanDerWaalsContact C-N 3.32Å; E481-S483 PolarHBondContact O-N 2.88Å; S483-N487 WeakPolarHBondContact O-CB 3.38Å; S483-N487 VanDerWaalsContact O-CG 3.24Å; S483-N487 PolarHBondContact O-N 3.36Å; S483-N487 PolarHBondContact O-ND2 3.43Å
484N56.4Low49.8Very low99 Ų99116.7 Ų116.753%0.52961%0.614SS.*Hα-helixtrans-69-40-179.5-73.9-63.3000112.6E480 E481 M482 Q488E480-N484 PolarHBondContact O-ND2 3.37Å; E481-N484 PolarHBondContact O-N 3.41Å; M482-N484 VanDerWaalsContact C-N 3.28Å; M482-N484 PolarHBondContact O-N 3.28Å; N484-Q488 WeakPolarHBondContact O-CG 3.37Å; N484-Q488 PolarHBondContact O-N 2.84Å
485V52.8Low51.5Low84 Ų84118 Ų11851%0.50960%0.604SS.*Hα-helixtrans-67.7-44.4176.6179.40000111.3E481 M482 N487 Q488 L489E481-V485 PolarHBondContact O-N 2.99Å; M482-V485 PolarHBondContact O-N 2.95Å; V485-N487 VanDerWaalsContact C-N 3.32Å; V485-N487 PolarHBondContact O-N 2.81Å; V485-Q488 PolarHBondContact O-N 3.36Å; V485-L489 HydrophobicContact CG1-CD1 4.05Å; V485-L489 HydrophobicContact CG1-CG 4.47Å; V485-L489 WeakPolarHBondContact O-CG 3.4Å; V485-L489 PolarHBondContact O-N 3.42Å
486A52.8Low53.2Low42 Ų42111.8 Ų111.835%0.34758%0.576SS.*Hα-helixtrans-61.2-39.4177.300000112.1M482 L489 K490M482-A486 VanDerWaalsContact O-CB 3.32Å; M482-A486 WeakPolarHBondContact O-CB 3.08Å; M482-A486 PolarHBondContact O-N 2.97Å; A486-L489 PolarHBondContact O-N 3.1Å; A486-K490 WeakPolarHBondContact O-CB 3.41Å; A486-K490 WeakPolarHBondContact O-CG 3.39Å; A486-K490 PolarHBondContact O-N 2.85Å
487N55.7Low54.7Low80 Ų80106.8 Ų106.843%0.42855%0.549SS..Hα-helixtrans-68.2-39.8175.6-73.1-34.6000112.4S483 V485 K490 L491S483-N487 WeakPolarHBondContact O-CB 3.38Å; S483-N487 VanDerWaalsContact O-CG 3.24Å; S483-N487 PolarHBondContact O-N 3.36Å; S483-N487 PolarHBondContact O-ND2 3.43Å; V485-N487 VanDerWaalsContact C-N 3.32Å; V485-N487 PolarHBondContact O-N 2.81Å; N487-K490 PolarHBondContact O-N 2.71Å; N487-L491 WeakPolarHBondContact O-CB 3.39Å; N487-L491 WeakPolarHBondContact O-CG 3.22Å; N487-L491 PolarHBondContact O-N 2.88Å
488Q53.9Low56.2Low126 Ų126107.1 Ų107.159%0.58954%0.542SS*.Hα-helixtrans-65.3-37.5174-72.6-179.928.800112.9N484 V485 K492N484-Q488 WeakPolarHBondContact O-CG 3.37Å; N484-Q488 PolarHBondContact O-N 2.84Å; V485-Q488 PolarHBondContact O-N 3.36Å; Q488-K492 PolarHBondContact O-N 3.28Å; Q488-K492 VanDerWaalsContact O-N 3.07Å
489L53.1Low57.8Low109 Ų109104.9 Ų104.957%0.57153%0.526SS*.Hα-helixtrans-68.8-40.8175.7-70.7171.9000112V485 A486 K492 K493V485-L489 HydrophobicContact CG1-CD1 4.05Å; V485-L489 HydrophobicContact CG1-CG 4.47Å; V485-L489 WeakPolarHBondContact O-CG 3.4Å; V485-L489 PolarHBondContact O-N 3.42Å; A486-L489 PolarHBondContact O-N 3.1Å; L489-K492 PolarHBondContact O-N 2.94Å; L489-K493 PolarHBondContact O-N 3.49Å
490K54.5Low59.3Low138 Ų13898.4 Ų98.460%0.650%0.496SS*.Hα-helixtrans-62.4-42.4173.3-75.4172.9-179.8175.20112.1A486 N487 K493 N494A486-K490 WeakPolarHBondContact O-CB 3.41Å; A486-K490 WeakPolarHBondContact O-CG 3.39Å; A486-K490 PolarHBondContact O-N 2.85Å; N487-K490 PolarHBondContact O-N 2.71Å; K490-K493 PolarHBondContact O-N 2.92Å; K490-N494 PolarHBondContact O-N 2.88Å
491L54.8Low60.5Low121 Ų12193 Ų9363%0.63447%0.471SS*.Hα-helixtrans-58.9-46.3173.8-80.7163.5000111.9N487 N494 Q495N487-L491 WeakPolarHBondContact O-CB 3.39Å; N487-L491 WeakPolarHBondContact O-CG 3.22Å; N487-L491 PolarHBondContact O-N 2.88Å; L491-N494 PolarHBondContact O-N 3.16Å; L491-Q495 PolarHBondContact O-N 2.8Å
492K59.8Low62.1Low135 Ų13591.1 Ų91.159%0.58746%0.462SS*.Hα-helixtrans-62.2-43.9175.7-76.6-177.5176-179.50113Q488 L489 N494 Q495 I496Q488-K492 PolarHBondContact O-N 3.28Å; Q488-K492 VanDerWaalsContact O-N 3.07Å; L489-K492 PolarHBondContact O-N 2.94Å; K492-N494 VanDerWaalsContact C-N 3.34Å; K492-N494 PolarHBondContact O-N 3.43Å; K492-Q495 PolarHBondContact O-N 2.86Å; K492-I496 WeakPolarHBondContact O-CG1 3.24Å; K492-I496 PolarHBondContact O-N 3.47Å
493K59.9Low63.9Low65 Ų6587.3 Ų87.328%0.28344%0.444SS..Hα-helixtrans-63.1-40.7178.3-176.4157.4176.81550111.6V464 N465 D466 L489 K490 I497V464-K493 HydrophobicContact CG1-CD 4.3Å; V464-K493 VanDerWaalsContact CG1-CE 3.45Å; N465-K493 PolarHBondContact O-NZ 2.99Å; N465-K493 VanDerWaalsContact O-NZ 3.15Å; D466-K493 IonicContact OD1-NZ 2.6Å; D466-K493 PolarHBondContact OD1-NZ 3.36Å; L489-K493 PolarHBondContact O-N 3.49Å; K490-K493 PolarHBondContact O-N 2.92Å; K493-I497 HydrophobicContact CG-CD1 3.98Å; K493-I497 WeakPolarHBondContact O-CD1 3.48Å; K493-I497 VanDerWaalsContact O-CG1 3.25Å; K493-I497 WeakPolarHBondContact O-CG1 3.39Å; K493-I497 PolarHBondContact O-N 2.87Å
494N67.1Low65.2Low106 Ų10684.8 Ų84.857%0.56743%0.425SS*.Hα-helixtrans-63.7-43.3174.7-71.6-4.1000112.3K490 L491 K492 I497 E498K490-N494 PolarHBondContact O-N 2.88Å; L491-N494 PolarHBondContact O-N 3.16Å; K492-N494 VanDerWaalsContact C-N 3.34Å; K492-N494 PolarHBondContact O-N 3.43Å; N494-I497 PolarHBondContact O-N 3.5Å; N494-E498 PolarHBondContact O-N 2.99Å
495Q71.8Confident66.5Low124 Ų12480.5 Ų80.558%0.57940%0.402SS*.Hα-helixtrans-64-42.4179.8-169.8166.81000112.1L491 K492 I497 E498 D499L491-Q495 PolarHBondContact O-N 2.8Å; K492-Q495 PolarHBondContact O-N 2.86Å; Q495-I497 VanDerWaalsContact C-N 3.28Å; Q495-I497 PolarHBondContact O-N 3.38Å; Q495-E498 WeakPolarHBondContact O-CB 3.48Å; Q495-E498 PolarHBondContact O-N 3.44Å; Q495-E498 VanDerWaalsContact O-N 3.09Å; Q495-D499 VanDerWaalsContact O-CG 3.28Å; Q495-D499 PolarHBondContact O-N 3.08Å
496I67.3Low67.9Low61 Ų6179.9 Ų79.931%0.31340%0.396SS..Hα-helixtrans-59.6-39174-67.7163.5000111.5L462 V464 K492 E498 D499 Q500L462-I496 HydrophobicContact CD2-CG2 4.24Å; V464-I496 HydrophobicContact CG2-CG2 3.63Å; K492-I496 WeakPolarHBondContact O-CG1 3.24Å; K492-I496 PolarHBondContact O-N 3.47Å; I496-E498 VanDerWaalsContact C-N 3.32Å; I496-D499 PolarHBondContact O-N 3.29Å; I496-Q500 WeakPolarHBondContact O-CB 3.48Å; I496-Q500 VanDerWaalsContact O-CG 3.27Å; I496-Q500 WeakPolarHBondContact O-CG 3.34Å; I496-Q500 PolarHBondContact O-N 2.97Å
497I70.9Confident69.3Low52 Ų5279.7 Ų79.727%0.26739%0.392SS..Hα-helixtrans-69.9-29.3177.7-68.8165.9000111.8V464 K493 N494 Q495 Q501V464-I497 HydrophobicContact CG2-CG1 4.25Å; K493-I497 HydrophobicContact CG-CD1 3.98Å; K493-I497 WeakPolarHBondContact O-CD1 3.48Å; K493-I497 VanDerWaalsContact O-CG1 3.25Å; K493-I497 WeakPolarHBondContact O-CG1 3.39Å; K493-I497 PolarHBondContact O-N 2.87Å; N494-I497 PolarHBondContact O-N 3.5Å; Q495-I497 VanDerWaalsContact C-N 3.28Å; Q495-I497 PolarHBondContact O-N 3.38Å; I497-Q501 VanDerWaalsContact O-CG 3.24Å; I497-Q501 WeakPolarHBondContact O-CG 3.31Å; I497-Q501 PolarHBondContact O-N 2.86Å; I497-Q501 PolarHBondContact O-NE2 2.81Å
498E74Confident70.5Confident102 Ų10276 Ų7648%0.47737%0.373SS..Hα-helixtrans-73.8-47.4172.5-165.1117-108.500111.1N494 Q495 I496 Q500 Q501 E502 R1155N494-E498 PolarHBondContact O-N 2.99Å; Q495-E498 WeakPolarHBondContact O-CB 3.48Å; Q495-E498 PolarHBondContact O-N 3.44Å; Q495-E498 VanDerWaalsContact O-N 3.09Å; I496-E498 VanDerWaalsContact C-N 3.32Å; E498-Q500 VanDerWaalsContact C-N 3.33Å; E498-Q500 PolarHBondContact O-N 3.13Å; E498-Q501 WeakPolarHBondContact O-CA 3.47Å; E498-Q501 PolarHBondContact O-N 3.48Å; E498-E502 PolarHBondContact O-N 2.85Å; E498-R1155 IonicContact OE1-CZ 3.8Å; E498-R1155 IonicContact OE1-NH1 2.72Å; E498-R1155 IonicContact OE1-NH2 3.84Å; E498-R1155 PolarHBondContact OE1-NH2 3.11Å; E498-R1155 VanDerWaalsContact OE1-NH2 3.07Å
499D72.8Confident72Confident67 Ų6770.6 Ų70.636%0.35835%0.348SS..Hα-helixtrans-56.7-43.9175.4-65.2-27.4000111.6L462 Q495 I496 Q501 L503L462-D499 HydrophobicContact CD1-CB 4.25Å; Q495-D499 VanDerWaalsContact O-CG 3.28Å; Q495-D499 PolarHBondContact O-N 3.08Å; I496-D499 PolarHBondContact O-N 3.29Å; D499-Q501 VanDerWaalsContact C-N 3.32Å; D499-Q501 PolarHBondContact O-N 3.13Å; D499-L503 WeakPolarHBondContact O-CB 3.37Å; D499-L503 WeakPolarHBondContact O-CD1 3.33Å; D499-L503 WeakPolarHBondContact O-CG 3.39Å; D499-L503 PolarHBondContact O-N 2.64Å; D499-L503 VanDerWaalsContact O-N 3.11Å
500Q72.5Confident73.3Confident26 Ų2668.6 Ų68.612%0.12134%0.337CS..Hα-helixtrans-53.6-48.6170.6-80.3176.3-7.900111.5L462 I496 E498 L503 L504L462-Q500 HydrophobicContact CB-CG 3.89Å; L462-Q500 HydrophobicContact CD1-CG 4.45Å; L462-Q500 PolarHBondContact O-NE2 3.17Å; I496-Q500 WeakPolarHBondContact O-CB 3.48Å; I496-Q500 VanDerWaalsContact O-CG 3.27Å; I496-Q500 WeakPolarHBondContact O-CG 3.34Å; I496-Q500 PolarHBondContact O-N 2.97Å; E498-Q500 VanDerWaalsContact C-N 3.33Å; E498-Q500 PolarHBondContact O-N 3.13Å; Q500-L503 PolarHBondContact O-N 2.66Å; Q500-L504 WeakPolarHBondContact O-CG 3.45Å; Q500-L504 PolarHBondContact O-N 3.29Å
501Q78.2Confident74.6Confident59 Ų5963.3 Ų63.328%0.27632%0.315SS..Hα-helixtrans-72.8-37.4-173-73.5172.640.300111.7I497 E498 D499 L504 D505 R1155I497-Q501 VanDerWaalsContact O-CG 3.24Å; I497-Q501 WeakPolarHBondContact O-CG 3.31Å; I497-Q501 PolarHBondContact O-N 2.86Å; I497-Q501 PolarHBondContact O-NE2 2.81Å; E498-Q501 WeakPolarHBondContact O-CA 3.47Å; E498-Q501 PolarHBondContact O-N 3.48Å; D499-Q501 VanDerWaalsContact C-N 3.32Å; D499-Q501 PolarHBondContact O-N 3.13Å; Q501-L504 PolarHBondContact O-N 3.48Å; Q501-D505 VanDerWaalsContact O-CB 3.25Å; Q501-D505 WeakPolarHBondContact O-CB 3.35Å; Q501-D505 PolarHBondContact O-N 2.72Å; Q501-R1155 VanDerWaalsContact OE1-CZ 3.22Å
502E80.5Confident76Confident117 Ų11757.6 Ų57.655%0.54729%0.285SS..Hα-helixtrans-62.2-44.2171.7-67.7-149.2140.500112.2E498 L504 D505 D506E498-E502 PolarHBondContact O-N 2.85Å; E502-L504 PolarHBondContact O-N 3.47Å; E502-D505 WeakPolarHBondContact O-CB 3.16Å; E502-D505 PolarHBondContact O-N 3.4Å; E502-D506 PolarHBondContact O-N 3.29Å
503L79.1Confident77.1Confident59 Ų5953.3 Ų53.331%0.30927%0.267SS..Hα-helixtrans-65.2-37.9178.7-76.6163.8000112.8N460 L462 D499 Q500 C507N460-L503 HydrophobicContact CB-CD1 4.19Å; L462-L503 HydrophobicContact CD1-CD1 3.35Å; D499-L503 WeakPolarHBondContact O-CB 3.37Å; D499-L503 WeakPolarHBondContact O-CD1 3.33Å; D499-L503 WeakPolarHBondContact O-CG 3.39Å; D499-L503 PolarHBondContact O-N 2.64Å; D499-L503 VanDerWaalsContact O-N 3.11Å; Q500-L503 PolarHBondContact O-N 2.66Å; L503-C507 WeakPolarHBondContact O-CB 3.34Å; L503-C507 PolarHBondContact O-N 2.91Å; L503-C507 PolarHBondContact O-SG 2.89Å
504L81Confident78Confident8 Ų854 Ų544%0.04227%0.274CS..Hα-helixtrans-73.3-29173.5-67.8-176.4000112.8Q453 I456 E457 Q500 Q501 E502 C507 D508 R1158Q453-L504 HydrophobicContact CB-CD1 4.25Å; Q453-L504 HydrophobicContact CB-CD2 3.87Å; Q453-L504 HydrophobicContact CG-CD2 4.02Å; I456-L504 HydrophobicContact CB-CD2 4.1Å; I456-L504 HydrophobicContact CD1-CD2 4.26Å; I456-L504 HydrophobicContact CG2-CD2 4.03Å; E457-L504 WeakPolarHBondContact OE1-CD1 3.46Å; Q500-L504 WeakPolarHBondContact O-CG 3.45Å; Q500-L504 PolarHBondContact O-N 3.29Å; Q501-L504 PolarHBondContact O-N 3.48Å; E502-L504 PolarHBondContact O-N 3.47Å; L504-C507 PolarHBondContact O-N 3.27Å; L504-D508 WeakPolarHBondContact O-CB 3.4Å; L504-D508 PolarHBondContact O-N 3.32Å; L504-R1158 PolarHBondContact O-NH2 3.19Å
505D84Confident78.7Confident9 Ų949.8 Ų49.85%0.04825%0.251CS..Hα-helixtrans-71.4-39.5174.3-76.56.6000111.5Q501 E502 L509 K1151 R1155 R1158Q501-D505 VanDerWaalsContact O-CB 3.25Å; Q501-D505 WeakPolarHBondContact O-CB 3.35Å; Q501-D505 PolarHBondContact O-N 2.72Å; E502-D505 WeakPolarHBondContact O-CB 3.16Å; E502-D505 PolarHBondContact O-N 3.4Å; D505-L509 VanDerWaalsContact O-CB 3.26Å; D505-L509 WeakPolarHBondContact O-CB 3.18Å; D505-L509 PolarHBondContact O-N 3.22Å; D505-L509 VanDerWaalsContact O-N 3.11Å; D505-K1151 HydrophobicContact CB-CB 3.93Å; D505-K1151 HydrophobicContact CB-CD 4.05Å; D505-K1151 HydrophobicContact CB-CG 3.89Å; D505-R1155 WeakPolarHBondContact OD1-CB 3.32Å; D505-R1155 WeakPolarHBondContact OD2-CD 3.26Å; D505-R1158 IonicContact OD1-CZ 3.62Å; D505-R1158 IonicContact OD1-NH1 3.17Å; D505-R1158 PolarHBondContact OD1-NH1 2.89Å; D505-R1158 IonicContact OD1-NH2 3.39Å; D505-R1158 PolarHBondContact OD1-NH2 3.46Å
506D82.5Confident78.8Confident71 Ų7147 Ų4738%0.3824%0.242SC..Hα-helixtrans-58.9-47.4166.5-86.8-30000111.2E502 L509 D510 K1151E502-D506 PolarHBondContact O-N 3.29Å; D506-L509 WeakPolarHBondContact O-CB 3.3Å; D506-L509 PolarHBondContact O-N 2.98Å; D506-D510 PolarHBondContact O-N 3.22Å; D506-K1151 WeakPolarHBondContact OD1-CE 3.27Å; D506-K1151 IonicContact OD1-NZ 2.64Å; D506-K1151 PolarHBondContact OD1-NZ 2.81Å; D506-K1151 IonicContact OD2-NZ 2.7Å
507C81.1Confident79.1Confident38 Ų3844.5 Ų44.526%0.25723%0.232SC..Hα-helixtrans-68.4-41.6-177.9-680000113.5I456 L503 L504 L509 D510 E511I456-C507 HydrophobicContact CD1-CB 3.76Å; L503-C507 WeakPolarHBondContact O-CB 3.34Å; L503-C507 PolarHBondContact O-N 2.91Å; L503-C507 PolarHBondContact O-SG 2.89Å; L504-C507 PolarHBondContact O-N 3.27Å; C507-L509 PolarHBondContact O-N 3.25Å; C507-D510 PolarHBondContact O-N 2.86Å; C507-E511 WeakPolarHBondContact O-CB 3.46Å; C507-E511 WeakPolarHBondContact O-CG 3.3Å; C507-E511 PolarHBondContact O-N 3.42Å
508D82.8Confident78.9Confident4 Ų443.3 Ų43.32%0.02123%0.226CC..Hα-helixtrans-65.2-31174.8-82-21.1000110.8R449 Q453 L504 Y512 F1154 R1158R449-D508 IonicContact CZ-OD1 2.69Å; R449-D508 IonicContact NE-OD1 2.74Å; R449-D508 IonicContact NH2-OD1 3.86Å; R449-D508 PolarHBondContact NH2-OD1 2.74Å; R449-D508 IonicContact NH2-OD2 2.8Å; R449-D508 PolarHBondContact NH2-OD2 3.04Å; Q453-D508 PolarHBondContact NE2-OD1 3.25Å; L504-D508 WeakPolarHBondContact O-CB 3.4Å; L504-D508 PolarHBondContact O-N 3.32Å; D508-Y512 WeakPolarHBondContact O-CB 3.34Å; D508-Y512 PolarHBondContact O-N 2.77Å; D508-F1154 HydrophobicContact CB-CB 3.85Å; D508-F1154 HydrophobicContact CB-CD2 3.86Å; D508-F1154 HydrophobicContact CB-CG 4.04Å; D508-R1158 IonicContact OD2-CZ 3.66Å; D508-R1158 IonicContact OD2-NE 2.69Å; D508-R1158 PolarHBondContact OD2-NE 2.99Å; D508-R1158 VanDerWaalsContact OD2-NE 3.13Å; D508-R1158 IonicContact OD2-NH2 2.66Å; D508-R1158 PolarHBondContact OD2-NH2 2.95Å
509L84.8Confident79.2Confident12 Ų1238.7 Ų38.76%0.06320%0.204CC..Hα-helixtrans-70.5-46.7172.9-178.463.7000112.3D505 D506 C507 Y512 Q513 N1147 L1150 K1151D505-L509 VanDerWaalsContact O-CB 3.26Å; D505-L509 WeakPolarHBondContact O-CB 3.18Å; D505-L509 PolarHBondContact O-N 3.22Å; D505-L509 VanDerWaalsContact O-N 3.11Å; D506-L509 WeakPolarHBondContact O-CB 3.3Å; D506-L509 PolarHBondContact O-N 2.98Å; C507-L509 PolarHBondContact O-N 3.25Å; L509-Y512 WeakPolarHBondContact O-CB 3.32Å; L509-Y512 PolarHBondContact O-N 3.48Å; L509-Q513 HydrophobicContact CD1-CG 4.21Å; L509-Q513 HydrophobicContact CG-CG 4.4Å; L509-Q513 WeakPolarHBondContact O-CG 3.41Å; L509-Q513 PolarHBondContact O-N 2.91Å; L509-N1147 WeakPolarHBondContact CD1-OD1 3.42Å; L509-N1147 HydrophobicContact CD2-CB 4.03Å; L509-L1150 HydrophobicContact CD1-CB 4.02Å; L509-L1150 HydrophobicContact CD1-CD1 3.6Å; L509-L1150 HydrophobicContact CD1-CG 4.49Å; L509-K1151 HydrophobicContact CD2-CG 4.26Å
510D80.2Confident79.3Confident66 Ų6638 Ų3835%0.35320%0.201SC..Hα-helixtrans-64.6-39.3176.6-89.8-13.1000112.2D506 C507 Y512 N514D506-D510 PolarHBondContact O-N 3.22Å; C507-D510 PolarHBondContact O-N 2.86Å; D510-Y512 VanDerWaalsContact C-N 3.28Å; D510-Y512 PolarHBondContact O-N 3.35Å; D510-N514 VanDerWaalsContact O-CB 3.3Å; D510-N514 WeakPolarHBondContact O-CB 3.44Å; D510-N514 PolarHBondContact O-N 3.43Å; D510-N514 PolarHBondContact O-ND2 3.15Å
511E81.6Confident79.1Confident27 Ų2737.4 Ų37.413%0.12620%0.199CC..Hα-helixtrans-58.8-42.3172.7-79.1-157.6162.900110.5R452 C507 L515 T516 G517 D518R452-E511 VanDerWaalsContact CD-OE1 3.22Å; R452-E511 WeakPolarHBondContact CD-OE1 3.48Å; R452-E511 IonicContact CZ-OE1 2.71Å; R452-E511 IonicContact NE-OE1 2.84Å; R452-E511 IonicContact NH1-OE1 3.34Å; R452-E511 PolarHBondContact NH1-OE1 3.01Å; R452-E511 IonicContact NH1-OE2 2.83Å; R452-E511 PolarHBondContact NH1-OE2 2.83Å; C507-E511 WeakPolarHBondContact O-CB 3.46Å; C507-E511 WeakPolarHBondContact O-CG 3.3Å; C507-E511 PolarHBondContact O-N 3.42Å; E511-L515 PolarHBondContact O-N 3.05Å; E511-T516 PolarHBondContact O-N 2.96Å; E511-G517 WeakPolarHBondContact OE1-CA 3.19Å; E511-G517 WeakPolarHBondContact OE2-CA 3.16Å; E511-D518 PolarHBondContact OE2-N 3.29Å; E511-D518 VanDerWaalsContact OE2-N 3.07Å
512Y85.2Confident78.5Confident1 Ų138 Ų380%0.00421%0.214CC..Hα-helixtrans-70.6-49.5178.8-178.6-107.3000113.5D508 L509 D510 N514 L515 W519 L1150 F1154 E1267 I1582D508-Y512 WeakPolarHBondContact O-CB 3.34Å; D508-Y512 PolarHBondContact O-N 2.77Å; L509-Y512 WeakPolarHBondContact O-CB 3.32Å; L509-Y512 PolarHBondContact O-N 3.48Å; D510-Y512 VanDerWaalsContact C-N 3.28Å; D510-Y512 PolarHBondContact O-N 3.35Å; Y512-N514 PolarHBondContact O-N 3.1Å; Y512-L515 PolarHBondContact O-N 3.25Å; Y512-W519 AromaticContact CD2-CD2 3.61Å; Y512-W519 HydrophobicContact CD2-CD2 3.61Å; Y512-W519 AromaticContact CD2-CE2 3.61Å; Y512-W519 HydrophobicContact CD2-CE3 4.03Å; Y512-W519 AromaticContact CD2-CG 3.88Å; Y512-W519 HydrophobicContact CD2-CG 3.88Å; Y512-W519 HydrophobicContact CD2-CH2 4.43Å; Y512-W519 HydrophobicContact CD2-CZ2 4.04Å; Y512-W519 HydrophobicContact CD2-CZ3 4.42Å; Y512-W519 AromaticContact CD2-NE1 3.83Å; Y512-W519 HydrophobicContact CE2-CD2 4.25Å; Y512-W519 HydrophobicContact CE2-CE3 4.22Å; Y512-W519 HydrophobicContact CE2-CH2 4.42Å; Y512-W519 HydrophobicContact CE2-CZ2 4.45Å; Y512-W519 HydrophobicContact CE2-CZ3 4.3Å; Y512-L1150 HydrophobicContact CD1-CD1 3.81Å; Y512-L1150 HydrophobicContact CE1-CD1 3.84Å; Y512-F1154 HydrophobicContact CD1-CZ 4.28Å; Y512-F1154 HydrophobicContact CD2-CZ 4.17Å; Y512-F1154 HydrophobicContact CG-CE2 4.31Å; Y512-F1154 AromaticContact CG-CZ 3.86Å; Y512-F1154 HydrophobicContact CG-CZ 3.86Å; Y512-E1267 VanDerWaalsContact CE1-OE1 3.26Å; Y512-E1267 WeakPolarHBondContact CE1-OE1 3.24Å; Y512-E1267 WeakPolarHBondContact OH-CG 3.48Å; Y512-E1267 PolarHBondContact OH-OE1 3.02Å; Y512-I1582 HydrophobicContact CE2-CG1 4.47Å
513Q82Confident77.5Confident46 Ų4636 Ų3622%0.21520%0.203CC..Hα-helixtrans-62.2-43.8-179.4-71.3-165.813.800111.7L509 L515 N1147L509-Q513 HydrophobicContact CD1-CG 4.21Å; L509-Q513 HydrophobicContact CG-CG 4.4Å; L509-Q513 WeakPolarHBondContact O-CG 3.41Å; L509-Q513 PolarHBondContact O-N 2.91Å; Q513-L515 VanDerWaalsContact C-N 3.31Å; Q513-L515 PolarHBondContact O-N 3.43Å; Q513-N1147 PolarHBondContact NE2-OD1 3.42Å
514N79.7Confident76.4Confident80 Ų8034.1 Ų34.143%0.42819%0.194SC..Hα-helixtrans-80.1-10.6-177.8-68.5-75.2000113.7D510 Y512 T516 K569D510-N514 VanDerWaalsContact O-CB 3.3Å; D510-N514 WeakPolarHBondContact O-CB 3.44Å; D510-N514 PolarHBondContact O-N 3.43Å; D510-N514 PolarHBondContact O-ND2 3.15Å; Y512-N514 PolarHBondContact O-N 3.1Å; N514-T516 VanDerWaalsContact C-N 3.3Å; N514-T516 HydrophobicContact CB-CG2 3.88Å; N514-K569 PolarHBondContact O-NZ 3.37Å
515L80.3Confident74.9Confident16 Ų1636.2 Ų36.28%0.08422%0.217CC..THydrogen-bonded Turntrans56.545.4-171.1-55.1168.5000111.7E511 Y512 Q513 N520 K569 F1577 L1581E511-L515 PolarHBondContact O-N 3.05Å; Y512-L515 PolarHBondContact O-N 3.25Å; Q513-L515 VanDerWaalsContact C-N 3.31Å; Q513-L515 PolarHBondContact O-N 3.43Å; L515-N520 WeakPolarHBondContact O-CA 3.41Å; L515-K569 HydrophobicContact CD1-CD 4.05Å; L515-K569 HydrophobicContact CD1-CG 3.93Å; L515-F1577 HydrophobicContact CD1-CE1 3.59Å; L515-F1577 HydrophobicContact CD1-CZ 4.19Å; L515-F1577 HydrophobicContact CD2-CE1 4.26Å; L515-L1581 HydrophobicContact CD2-CD1 3.5Å; L515-L1581 VanDerWaalsContact CD2-CD1 3.5Å
516T74.2Confident73.2Confident66 Ų6639.3 Ų39.341%0.40524%0.236SC..  trans-106.2-156.6172.967.20000108.4E511 N514 D518 W519 N520E511-T516 PolarHBondContact O-N 2.96Å; N514-T516 VanDerWaalsContact C-N 3.3Å; N514-T516 HydrophobicContact CB-CG2 3.88Å; T516-D518 PolarHBondContact O-N 3.18Å; T516-W519 CarbonylContact O-C 3.58Å; T516-W519 VanDerWaalsContact O-C 3.23Å; T516-W519 WeakPolarHBondContact O-CA 3.14Å; T516-W519 PolarHBondContact O-N 3.37Å; T516-N520 PolarHBondContact O-N 2.84Å
517G73.3Confident71.2Confident9 Ų939.4 Ų39.49%0.09324%0.236CC..THydrogen-bonded Turntrans69.5-135.4163.200000116.9R452 E511 W519R452-G517 PolarHBondContact NH1-O 2.87Å; R452-G517 PolarHBondContact NH2-O 3.24Å; E511-G517 WeakPolarHBondContact OE1-CA 3.19Å; E511-G517 WeakPolarHBondContact OE2-CA 3.16Å; G517-W519 VanDerWaalsContact C-N 3.35Å
518D67.8Low69.2Low27 Ų2741.2 Ų41.214%0.14424%0.238CC..THydrogen-bonded Turntrans-73.3-25.3163.4-80.22.1000112.6R449 R452 E511 T516 N520R449-D518 VanDerWaalsContact CD-OD2 3.22Å; R449-D518 WeakPolarHBondContact CD-OD2 3.19Å; R449-D518 WeakPolarHBondContact CG-OD2 3.29Å; R449-D518 IonicContact CZ-OD2 2.73Å; R449-D518 IonicContact NE-OD2 2.73Å; R449-D518 IonicContact NH1-OD2 2.75Å; R449-D518 PolarHBondContact NH1-OD2 3.42Å; R452-D518 IonicContact NH1-OD1 3.03Å; E511-D518 PolarHBondContact OE2-N 3.29Å; E511-D518 VanDerWaalsContact OE2-N 3.07Å; T516-D518 PolarHBondContact O-N 3.18Å; D518-N520 VanDerWaalsContact C-N 3.28Å; D518-N520 PolarHBondContact O-N 3.49Å
519W79.3Confident66.9Low5 Ų546.9 Ų46.92%0.01927%0.273CS..SBendtrans-87.211.8-175.6-60107.3000114.2Y512 T516 G517 V521 F1154 L1581 I1582 Q1585Y512-W519 AromaticContact CD2-CD2 3.61Å; Y512-W519 HydrophobicContact CD2-CD2 3.61Å; Y512-W519 AromaticContact CD2-CE2 3.61Å; Y512-W519 HydrophobicContact CD2-CE3 4.03Å; Y512-W519 AromaticContact CD2-CG 3.88Å; Y512-W519 HydrophobicContact CD2-CG 3.88Å; Y512-W519 HydrophobicContact CD2-CH2 4.43Å; Y512-W519 HydrophobicContact CD2-CZ2 4.04Å; Y512-W519 HydrophobicContact CD2-CZ3 4.42Å; Y512-W519 AromaticContact CD2-NE1 3.83Å; Y512-W519 HydrophobicContact CE2-CD2 4.25Å; Y512-W519 HydrophobicContact CE2-CE3 4.22Å; Y512-W519 HydrophobicContact CE2-CH2 4.42Å; Y512-W519 HydrophobicContact CE2-CZ2 4.45Å; Y512-W519 HydrophobicContact CE2-CZ3 4.3Å; T516-W519 CarbonylContact O-C 3.58Å; T516-W519 VanDerWaalsContact O-C 3.23Å; T516-W519 WeakPolarHBondContact O-CA 3.14Å; T516-W519 PolarHBondContact O-N 3.37Å; G517-W519 VanDerWaalsContact C-N 3.35Å; W519-V521 PolarHBondContact O-N 2.95Å; W519-F1154 AromaticContact CZ2-CE1 3.88Å; W519-F1154 HydrophobicContact CZ2-CE1 3.88Å; W519-F1154 HydrophobicContact CZ2-CZ 4.32Å; W519-L1581 HydrophobicContact CE3-CB 4.38Å; W519-L1581 HydrophobicContact CZ3-CB 4.46Å; W519-I1582 HydrophobicContact CH2-CG1 4.2Å; W519-I1582 HydrophobicContact CZ3-CG1 4.17Å; W519-Q1585 HydrophobicContact CE3-CB 4.38Å; W519-Q1585 HydrophobicContact CH2-CB 4.29Å; W519-Q1585 HydrophobicContact CH2-CG 4.27Å; W519-Q1585 HydrophobicContact CZ3-CB 3.83Å; W519-Q1585 HydrophobicContact CZ3-CG 4.14Å
520N74.8Confident64.4Low52 Ų5254 Ų5428%0.27830%0.304SS..  trans-73.1121-176.9179.9-41.9000111L515 T516 D518 A522 K523 I524L515-N520 WeakPolarHBondContact O-CA 3.41Å; T516-N520 PolarHBondContact O-N 2.84Å; D518-N520 VanDerWaalsContact C-N 3.28Å; D518-N520 PolarHBondContact O-N 3.49Å; N520-A522 PolarHBondContact O-N 3.26Å; N520-A522 PolarHBondContact OD1-N 3.35Å; N520-K523 HydrophobicContact CB-CB 4.17Å; N520-K523 HydrophobicContact CB-CD 4.47Å; N520-K523 HydrophobicContact CB-CG 4.28Å; N520-K523 WeakPolarHBondContact O-CA 3.36Å; N520-K523 PolarHBondContact O-N 2.99Å; N520-I524 VanDerWaalsContact C-CD1 3.47Å; N520-I524 WeakPolarHBondContact O-CD1 3.22Å; N520-I524 PolarHBondContact O-N 3.11Å
521V68Low61.9Low13 Ų1355.2 Ų55.28%0.07932%0.317CS..THydrogen-bonded Turntrans-51-30-175-158.70000114.2W519 I524 L561 I565 F1577W519-V521 PolarHBondContact O-N 2.95Å; V521-I524 VanDerWaalsContact CA-CD1 3.4Å; V521-L561 HydrophobicContact CB-CD2 4.17Å; V521-L561 HydrophobicContact CG1-CD2 3.68Å; V521-L561 HydrophobicContact CG1-CG 3.82Å; V521-I565 HydrophobicContact CG2-CG2 4.39Å; V521-F1577 HydrophobicContact CG1-CE2 4.4Å; V521-F1577 HydrophobicContact CG1-CZ 4.33Å; V521-F1577 HydrophobicContact CG2-CZ 3.96Å
522A65.8Low59.4Low73 Ų7361.4 Ų61.460%0.60335%0.35SS*.THydrogen-bonded Turntrans-91.79.9178.600000114.1N520N520-A522 PolarHBondContact O-N 3.26Å; N520-A522 PolarHBondContact OD1-N 3.35Å
523K60.6Low56.7Low74 Ų7466.4 Ų66.432%0.32238%0.383SS..THydrogen-bonded Turntrans-135.5-17.4-172.7-64.2-161.3169.3-169.80115.9N520 T526 Y528N520-K523 HydrophobicContact CB-CB 4.17Å; N520-K523 HydrophobicContact CB-CD 4.47Å; N520-K523 HydrophobicContact CB-CG 4.28Å; N520-K523 WeakPolarHBondContact O-CA 3.36Å; N520-K523 PolarHBondContact O-N 2.99Å; K523-T526 WeakPolarHBondContact CA-OG1 3.33Å; K523-T526 PolarHBondContact O-N 2.93Å; K523-T526 PolarHBondContact O-OG1 3.29Å; K523-Y528 HydrophobicContact CB-CE2 3.92Å; K523-Y528 HydrophobicContact CD-CE2 3.73Å; K523-Y528 HydrophobicContact CG-CE2 3.85Å
524I56.6Low54.1Low20 Ų2070.7 Ų70.710%0.10341%0.407CS..THydrogen-bonded Turntrans-57.5144.1174.5-53.4108.1000109.9N520 V521 T526 L1581 A1584 Q1585N520-I524 VanDerWaalsContact C-CD1 3.47Å; N520-I524 WeakPolarHBondContact O-CD1 3.22Å; N520-I524 PolarHBondContact O-N 3.11Å; V521-I524 VanDerWaalsContact CA-CD1 3.4Å; I524-T526 PolarHBondContact O-N 3.16Å; I524-T526 VanDerWaalsContact O-N 3.1Å; I524-L1581 HydrophobicContact CD1-CD2 3.28Å; I524-L1581 HydrophobicContact CG1-CD2 3.9Å; I524-A1584 HydrophobicContact CG2-CB 3.6Å; I524-Q1585 HydrophobicContact CG2-CB 4.33Å
525G49.2Very low51.5Low51 Ų5173.9 Ų73.953%0.52642%0.42SS..THydrogen-bonded Turntrans78.1-26.1-173.300000114.1L527G525-L527 PolarHBondContact O-N 3.35Å
526T46.9Very low49Very low75 Ų7582.2 Ų82.246%0.4646%0.455SS..  trans-92.787.417056.20000111K523 I524 Y528K523-T526 WeakPolarHBondContact CA-OG1 3.33Å; K523-T526 PolarHBondContact O-N 2.93Å; K523-T526 PolarHBondContact O-OG1 3.29Å; I524-T526 PolarHBondContact O-N 3.16Å; I524-T526 VanDerWaalsContact O-N 3.1Å; T526-Y528 WeakPolarHBondContact O-CD2 3.33Å; T526-Y528 VanDerWaalsContact O-CE2 3.27Å; T526-Y528 WeakPolarHBondContact O-CE2 2.93Å; T526-Y528 PolarHBondContact O-N 3.07Å; T526-Y528 WeakPolarHBondContact OG1-CE2 3.34Å
527L40.2Very low46.8Very low73 Ų7386.8 Ų86.838%0.38247%0.47SS..  trans-70.1112.8163.6-81.3167.1000108.7G525 T529 D1592G525-L527 PolarHBondContact O-N 3.35Å; L527-T529 PolarHBondContact O-N 3.46Å; L527-D1592 HydrophobicContact CD1-CB 3.5Å; L527-D1592 VanDerWaalsContact CD1-CB 3.5Å
528Y40.9Very low44.5Very low76 Ų7698 Ų9830%0.29851%0.51SS..  trans-76.186.8-167.4-80.8-101.8000113.1L448 K523 T526 K530L448-Y528 HydrophobicContact CD1-CD2 4.44Å; L448-Y528 HydrophobicContact CD1-CG 3.97Å; K523-Y528 HydrophobicContact CB-CE2 3.92Å; K523-Y528 HydrophobicContact CD-CE2 3.73Å; K523-Y528 HydrophobicContact CG-CE2 3.85Å; T526-Y528 WeakPolarHBondContact O-CD2 3.33Å; T526-Y528 VanDerWaalsContact O-CE2 3.27Å; T526-Y528 WeakPolarHBondContact O-CE2 2.93Å; T526-Y528 PolarHBondContact O-N 3.07Å; T526-Y528 WeakPolarHBondContact OG1-CE2 3.34Å; Y528-K530 HydrophobicContact CD1-CB 4.22Å; Y528-K530 HydrophobicContact CD1-CD 3.93Å; Y528-K530 HydrophobicContact CD1-CG 3.91Å; Y528-K530 HydrophobicContact CE1-CD 3.97Å; Y528-K530 HydrophobicContact CE1-CG 4.42Å; Y528-K530 PolarHBondContact O-N 3.46Å
529T34.3Very low42.8Very low122 Ų122104.5 Ų104.575%0.74854%0.539SS*.  trans-85.336.1153.950.50000111.7L527 S531L527-T529 PolarHBondContact O-N 3.46Å; T529-S531 PolarHBondContact O-N 3.5Å
530K31.3Very low40.5Very low162 Ų162110 Ų11070%0.70457%0.573SS**  trans-71.896.7168.9-76.2-162.4178.1-174.70109.2Y528 L532Y528-K530 HydrophobicContact CD1-CB 4.22Å; Y528-K530 HydrophobicContact CD1-CD 3.93Å; Y528-K530 HydrophobicContact CD1-CG 3.91Å; Y528-K530 HydrophobicContact CE1-CD 3.97Å; Y528-K530 HydrophobicContact CE1-CG 4.42Å; Y528-K530 PolarHBondContact O-N 3.46Å; K530-L532 PolarHBondContact O-N 2.95Å
531S28.5Very low38.6Very low92 Ų92116.4 Ų116.464%0.64360%0.601SS**PPolyproline II helixtrans-53.8129.7161.437.60000109.9T529T529-S531 PolarHBondContact O-N 3.5Å
532L27.9Very low36.8Very low157 Ų157119.3 Ų119.382%0.82263%0.633SS**PPolyproline II helixtrans-78.1139.4157.6-79.9148.8000107.4K530K530-L532 PolarHBondContact O-N 2.95Å
533P29.8Very low35Very low106 Ų106124.1 Ų124.169%0.68864%0.641SS**PPolyproline II helixtrans-71.2155.5172.131.9-34.5000110.4
534N26.3Very low33.2Very low135 Ų135126.2 Ų126.272%0.72266%0.662SS**  trans70.2132.7-177.2-58.627.2000113.1
535E26.6Very low32Very low147 Ų147131.3 Ų131.369%0.68769%0.688SS**SBendcis-151.2170.711.1-114.7145.4-128.500111.1
536F26.5Very low30.8Very low191 Ų191137.3 Ų137.384%0.83870%0.702SS**  trans60.597.4178.7-69.5-82.1000118.2
537F28.5Very low30Very low162 Ų162142.6 Ų142.671%0.71171%0.714SS**  trans-93.6125.9165.5-83.1-87.1000112.2H539 W547F537-H539 PolarHBondContact O-ND1 2.73Å; F537-W547 AromaticContact CE1-NE1 3.99Å
538W25.9Very low29.2Very low246 Ų246145.5 Ų145.593%0.93273%0.728SS**  trans-74.1139.1164.8-63.990.3000110.4
539H31.9Very low28.5Very low162 Ų162147 Ų14775%0.7574%0.741SS**  trans-105.4133.3-178.6-72.163.8000110.9F537F537-H539 PolarHBondContact O-ND1 2.73Å
540V30Very low28.3Very low120 Ų120148.9 Ų148.973%0.72774%0.74SS**SBendtrans-127127.2169.6179.20000108.3G542V540-G542 VanDerWaalsContact C-N 3.27Å; V540-G542 PolarHBondContact O-N 3.17Å; V540-G542 VanDerWaalsContact O-N 3.1Å
541Q34.1Very low28.3Very low188 Ų188147.7 Ų147.788%0.87974%0.735SS**THydrogen-bonded Turntrans53.726.8174.9-64.9-172.7-8.100117.7K543Q541-K543 VanDerWaalsContact C-N 3.3Å; Q541-K543 PolarHBondContact O-N 3.34Å; Q541-K543 VanDerWaalsContact O-N 3.11Å
542G31.8Very low28.3Very low73 Ų73148.7 Ų148.775%0.75373%0.733SS**THydrogen-bonded Turntrans69.814.4155.600000117.4V540V540-G542 VanDerWaalsContact C-N 3.27Å; V540-G542 PolarHBondContact O-N 3.17Å; V540-G542 VanDerWaalsContact O-N 3.1Å
543K26.6Very low28.3Very low174 Ų174149.5 Ų149.576%0.75773%0.732SS**SBendtrans-116.1140.6163.6-71.9-176.1178.2178.60109.5Q541 I545Q541-K543 VanDerWaalsContact C-N 3.3Å; Q541-K543 PolarHBondContact O-N 3.34Å; Q541-K543 VanDerWaalsContact O-N 3.11Å; K543-I545 PolarHBondContact O-N 3.4Å
544P23.7Very low28.3Very low119 Ų119149.5 Ų149.577%0.77373%0.734SS**  trans-63.9133.6167.429-33.1000108.8E546P544-E546 PolarHBondContact O-N 2.98Å
545I30.4Very low28.6Very low127 Ų127150.3 Ų150.365%0.65173%0.731SS**  trans-72.9110.2166.5-64.3174.3000106.3K543 W547K543-I545 PolarHBondContact O-N 3.4Å; I545-W547 HydrophobicContact CG2-CD2 4.44Å; I545-W547 HydrophobicContact CG2-CG 4.45Å; I545-W547 PolarHBondContact O-N 3.12Å
546E24.3Very low28.8Very low176 Ų176147.7 Ų147.782%0.82273%0.725SS**  trans-67.596.8167.9-69.6-172.8148.900108.3P544 I548P544-E546 PolarHBondContact O-N 2.98Å; E546-I548 PolarHBondContact O-N 2.85Å
547W29.9Very low29.1Very low187 Ų187142.5 Ų142.571%0.70871%0.711SS**  trans-67.7102.4173.5-70.686.5000108.7F537 I545 D549F537-W547 AromaticContact CE1-NE1 3.99Å; I545-W547 HydrophobicContact CG2-CD2 4.44Å; I545-W547 HydrophobicContact CG2-CG 4.45Å; I545-W547 PolarHBondContact O-N 3.12Å; W547-D549 PolarHBondContact O-N 3.25Å; W547-D549 VanDerWaalsContact O-N 3.17Å
548I25.2Very low29.3Very low133 Ų133141.4 Ų141.468%0.68271%0.708SS**  trans-52.8121.4175.8-63.8173.5000108.5E546 F550E546-I548 PolarHBondContact O-N 2.85Å; I548-F550 HydrophobicContact CB-CE2 4.31Å; I548-F550 HydrophobicContact CG2-CD2 4.43Å; I548-F550 HydrophobicContact CG2-CE2 4.38Å; I548-F550 VanDerWaalsContact O-CD2 3.28Å; I548-F550 WeakPolarHBondContact O-CD2 3.46Å; I548-F550 PolarHBondContact O-N 3.43Å
549D25.4Very low29.9Very low107 Ų107131.4 Ų131.457%0.57267%0.672SS**  trans-77.392.4-176.6-166.117.2000109.3W547 K551W547-D549 PolarHBondContact O-N 3.25Å; W547-D549 VanDerWaalsContact O-N 3.17Å; D549-K551 PolarHBondContact O-N 3Å; D549-K551 IonicContact OD1-NZ 2.68Å; D549-K551 PolarHBondContact OD1-NZ 3.02Å; D549-K551 WeakPolarHBondContact OD2-CD 3.32Å; D549-K551 IonicContact OD2-NZ 3.51Å; D549-K551 PolarHBondContact OD2-NZ 3.49Å
550F29.4Very low30.3Very low163 Ų163130 Ų13072%0.71566%0.663SS**  trans-6747-175.8-86.8-85.4000114.2I548I548-F550 HydrophobicContact CB-CE2 4.31Å; I548-F550 HydrophobicContact CG2-CD2 4.43Å; I548-F550 HydrophobicContact CG2-CE2 4.38Å; I548-F550 VanDerWaalsContact O-CD2 3.28Å; I548-F550 WeakPolarHBondContact O-CD2 3.46Å; I548-F550 PolarHBondContact O-N 3.43Å
551K30.9Very low30.9Very low137 Ų137128.1 Ų128.160%0.59665%0.649SS**SBendtrans-90-12.9178.8-72.1-172.1178.176.30114.5D549 K555D549-K551 PolarHBondContact O-N 3Å; D549-K551 IonicContact OD1-NZ 2.68Å; D549-K551 PolarHBondContact OD1-NZ 3.02Å; D549-K551 WeakPolarHBondContact OD2-CD 3.32Å; D549-K551 IonicContact OD2-NZ 3.51Å; D549-K551 PolarHBondContact OD2-NZ 3.49Å; K551-K555 WeakPolarHBondContact O-CE 3.46Å
552D29.1Very low31.6Very low113 Ų113121 Ų12160%0.60462%0.619SS**SBendtrans-112.4-20.5-164.5-87.2-57.2000117.9K555D552-K555 IonicContact OD1-NZ 3.94Å; D552-K555 PolarHBondContact OD1-NZ 3.35Å
553E27.6Very low32.2Very low174 Ų174125.2 Ų125.281%0.81362%0.624SS**SBendtrans-103.2-9.2-171.9-61.7-157138.300116.8
554C31.1Very low33.5Very low106 Ų106122 Ų12272%0.71662%0.615SS**  trans-97.928.1178.6-60.30000114.6T556C554-T556 VanDerWaalsContact C-N 3.28Å; C554-T556 PolarHBondContact O-N 2.91Å; C554-T556 VanDerWaalsContact O-N 3.07Å
555K31.5Very low35Very low151 Ų151118.8 Ų118.866%0.65759%0.591SS**  trans-84.448.7-175.8-68.7173177.8167.20113.8K551 D552K551-K555 WeakPolarHBondContact O-CE 3.46Å; D552-K555 IonicContact OD1-NZ 3.94Å; D552-K555 PolarHBondContact OD1-NZ 3.35Å
556T30.4Very low36.2Very low92 Ų92118.7 Ų118.756%0.56459%0.592SS**  trans-115.4-2.3-170.649.30000116C554C554-T556 VanDerWaalsContact C-N 3.28Å; C554-T556 PolarHBondContact O-N 2.91Å; C554-T556 VanDerWaalsContact O-N 3.07Å
557C33.9Very low37.6Very low82 Ų82115.9 Ų115.955%0.55458%0.582SS**  trans-133.882.9174.9-71.80000111.8F559C557-F559 PolarHBondContact O-N 2.86Å; C557-F559 VanDerWaalsContact O-N 3.07Å
558E33Very low39Very low139 Ų139108.4 Ų108.465%0.6556%0.555SS**  trans-75.684.3167.9-77.6-161.2156.700111.2K560E558-K560 WeakPolarHBondContact O-CG 3.41Å; E558-K560 PolarHBondContact O-N 3.24Å; E558-K560 VanDerWaalsContact O-N 3.14Å; E558-K560 WeakPolarHBondContact OE2-CE 3.39Å; E558-K560 IonicContact OE2-NZ 3.14Å; E558-K560 PolarHBondContact OE2-NZ 3.2Å
559F37.9Very low40.8Very low37 Ų37105.5 Ų105.516%0.16254%0.538CS..  trans-70.2102.5177.9-152.4-109.4000110.9C557 L561 L1447 D1448 T1580 A1584C557-F559 PolarHBondContact O-N 2.86Å; C557-F559 VanDerWaalsContact O-N 3.07Å; F559-L561 PolarHBondContact O-N 2.77Å; F559-L1447 HydrophobicContact CD1-CD2 3.68Å; F559-L1447 HydrophobicContact CD2-CB 4.19Å; F559-L1447 HydrophobicContact CE1-CD2 3.45Å; F559-L1447 VanDerWaalsContact CE1-CD2 3.45Å; F559-L1447 HydrophobicContact CE2-CB 4.24Å; F559-L1447 HydrophobicContact CE2-CD2 4.46Å; F559-L1447 HydrophobicContact CG-CB 4.35Å; F559-L1447 HydrophobicContact CG-CD2 4.29Å; F559-L1447 HydrophobicContact CZ-CB 4.46Å; F559-L1447 HydrophobicContact CZ-CD2 3.89Å; F559-D1448 WeakPolarHBondContact CD2-OD1 3.04Å; F559-T1580 HydrophobicContact CE2-CG2 3.79Å; F559-T1580 HydrophobicContact CZ-CG2 3.9Å; F559-A1584 HydrophobicContact CE2-CB 3.89Å; F559-A1584 HydrophobicContact CZ-CB 4.43Å
560K41Very low42.7Very low133 Ų133103.2 Ų103.258%0.57853%0.528SS*.  trans-88.8102.2-172.8-54.9-152.6-176.8-1340112.5E558 L1447E558-K560 WeakPolarHBondContact O-CG 3.41Å; E558-K560 PolarHBondContact O-N 3.24Å; E558-K560 VanDerWaalsContact O-N 3.14Å; E558-K560 WeakPolarHBondContact OE2-CE 3.39Å; E558-K560 IonicContact OE2-NZ 3.14Å; E558-K560 PolarHBondContact OE2-NZ 3.2Å; K560-L1447 PolarHBondContact N-O 3.25Å; K560-L1447 WeakPolarHBondContact O-CD2 3.49Å; K560-L1447 VanDerWaalsContact O-CG 3.28Å; K560-L1447 WeakPolarHBondContact O-CG 3.36Å
561L42.4Very low45Very low79 Ų7995.6 Ų95.641%0.41450%0.495SS..  trans-57.4139-180-74.887.4000112.7V521 F559 I565V521-L561 HydrophobicContact CB-CD2 4.17Å; V521-L561 HydrophobicContact CG1-CD2 3.68Å; V521-L561 HydrophobicContact CG1-CG 3.82Å; F559-L561 PolarHBondContact O-N 2.77Å; L561-I565 HydrophobicContact CD2-CD1 3.86Å
562P48.9Very low47.2Very low39 Ų3991.2 Ų91.225%0.25348%0.48SS..  trans-68.1147.9161.5-13.729.4000110.3D564 I568P562-D564 VanDerWaalsContact C-N 3.29Å; P562-D564 PolarHBondContact O-N 3.42Å; P562-I568 HydrophobicContact CB-CD1 3.79Å; P562-I568 HydrophobicContact CG-CD1 3.78Å
563N44.4Very low49.6Very low161 Ų16185.9 Ų85.986%0.86145%0.451SS*.SBendtrans-61.9-32.7-174.1-67.1-7.7000113.8
564D52.2Low52.3Low106 Ų10677.8 Ų77.857%0.56741%0.414SS*.  trans-119.777.8-172.3-67.5-71.6000112.8P562 N566 L567P562-D564 VanDerWaalsContact C-N 3.29Å; P562-D564 PolarHBondContact O-N 3.42Å; D564-N566 PolarHBondContact O-N 3.46Å; D564-L567 HydrophobicContact CB-CB 4.33Å; D564-L567 HydrophobicContact CB-CD1 3.93Å; D564-L567 PolarHBondContact O-N 2.88Å
565I55.7Low54.8Low52 Ų5273.9 Ų73.927%0.26739%0.385SS..THydrogen-bonded Turntrans-56.1-36.9-179.5-52.4173.9000111.9V521 L561 L567 I568 K569V521-I565 HydrophobicContact CG2-CG2 4.39Å; L561-I565 HydrophobicContact CD2-CD1 3.86Å; I565-L567 VanDerWaalsContact C-N 3.34Å; I565-L567 PolarHBondContact O-N 3.07Å; I565-I568 PolarHBondContact O-N 2.83Å; I565-I568 VanDerWaalsContact O-N 3.09Å; I565-K569 PolarHBondContact O-N 3.4Å
566N55.4Low57.2Low126 Ų12669 Ų6967%0.67436%0.363SS*.Hα-helixtrans-65.9-34.3-175.1-68.5-15.2000112.7D564 I568 K569 T570D564-N566 PolarHBondContact O-N 3.46Å; N566-I568 PolarHBondContact O-N 3.08Å; N566-K569 PolarHBondContact O-N 3.1Å; N566-T570 PolarHBondContact O-OG1 2.75Å
567L54.5Low59.8Low117 Ų11764.6 Ų64.661%0.61334%0.336SS*.Hα-helixtrans-69.1-8.9175.5-90.1151.6000113.5D564 I565D564-L567 HydrophobicContact CB-CB 4.33Å; D564-L567 HydrophobicContact CB-CD1 3.93Å; D564-L567 PolarHBondContact O-N 2.88Å; I565-L567 VanDerWaalsContact C-N 3.34Å; I565-L567 PolarHBondContact O-N 3.07Å
568I59.7Low62.2Low30 Ų3060.9 Ų60.915%0.15431%0.31CS..Hα-helixtrans-107.7-22.6-177.4-56.2173000111.8P562 I565 N566 F1577P562-I568 HydrophobicContact CB-CD1 3.79Å; P562-I568 HydrophobicContact CG-CD1 3.78Å; I565-I568 PolarHBondContact O-N 2.83Å; I565-I568 VanDerWaalsContact O-N 3.09Å; N566-I568 PolarHBondContact O-N 3.08Å; I568-F1577 HydrophobicContact CG2-CB 3.77Å; I568-F1577 HydrophobicContact CG2-CD1 3.97Å; I568-F1577 HydrophobicContact CG2-CD2 4.13Å; I568-F1577 HydrophobicContact CG2-CG 3.69Å
569K61.8Low64.4Low72 Ų7257.1 Ų57.131%0.31329%0.292SS..Hα-helixtrans-68.5-40.4178.1-61.6-154.8-173.4-169.40113N514 L515 I565 N566 K1574N514-K569 PolarHBondContact O-NZ 3.37Å; L515-K569 HydrophobicContact CD1-CD 4.05Å; L515-K569 HydrophobicContact CD1-CG 3.93Å; I565-K569 PolarHBondContact O-N 3.4Å; N566-K569 PolarHBondContact O-N 3.1Å; K569-K1574 WeakPolarHBondContact O-CD 3.3Å; K569-K1574 VanDerWaalsContact O-CE 3.29Å; K569-K1574 WeakPolarHBondContact O-CE 3.18Å; K569-K1574 PolarHBondContact O-NZ 3.4Å
570T65.5Low66.5Low58 Ų5857.2 Ų57.236%0.35629%0.291SS..  trans-121.7141.4-165.441.20000110.9N566 P572 E575N566-T570 PolarHBondContact O-OG1 2.75Å; T570-P572 VanDerWaalsContact O-CD 3.28Å; T570-P572 WeakPolarHBondContact O-CD 3.14Å; T570-E575 WeakPolarHBondContact CB-OE1 3.4Å; T570-E575 WeakPolarHBondContact CG2-OE1 3.44Å
571N79Confident68.5Low4 Ų451 Ų512%0.02126%0.264CS..  trans-105.194.1175-177.4-12.3000108V573 L574 E575 A1567 E1571N571-V573 PolarHBondContact O-N 3.23Å; N571-V573 VanDerWaalsContact O-N 3.17Å; N571-V573 PolarHBondContact OD1-N 3.02Å; N571-L574 HydrophobicContact CB-CB 3.99Å; N571-L574 PolarHBondContact O-N 2.83Å; N571-L574 PolarHBondContact OD1-N 3.15Å; N571-E575 PolarHBondContact O-N 3.41Å; N571-A1567 PolarHBondContact ND2-O 3.34Å; N571-E1571 VanDerWaalsContact CB-OE2 3.31Å; N571-E1571 WeakPolarHBondContact CB-OE2 3.49Å; N571-E1571 PolarHBondContact ND2-N 2.99Å; N571-E1571 PolarHBondContact ND2-OE2 3.16Å
572P76.4Confident70.2Confident45 Ų4551.1 Ų51.129%0.29226%0.26SS..Hα-helixtrans-63.3-25.7-170.424.4-35000113.2T570 W576 K1570T570-P572 VanDerWaalsContact O-CD 3.28Å; T570-P572 WeakPolarHBondContact O-CD 3.14Å; P572-W576 WeakPolarHBondContact O-CB 3.33Å; P572-W576 PolarHBondContact O-N 2.85Å; P572-K1570 HydrophobicContact CG-CD 4.42Å
573V79.7Confident71.6Confident0 Ų056.5 Ų56.50%028%0.279CS..Hα-helixtrans-73.6-48.7176.7-167.10000110N571 E575 W576 I577 F1122 A1567N571-V573 PolarHBondContact O-N 3.23Å; N571-V573 VanDerWaalsContact O-N 3.17Å; N571-V573 PolarHBondContact OD1-N 3.02Å; V573-E575 VanDerWaalsContact C-N 3.34Å; V573-E575 PolarHBondContact O-N 3.42Å; V573-W576 PolarHBondContact O-N 3.42Å; V573-W576 VanDerWaalsContact O-N 3.16Å; V573-I577 WeakPolarHBondContact O-CG1 3.4Å; V573-I577 PolarHBondContact O-N 3.17Å; V573-F1122 HydrophobicContact CB-CE1 4.42Å; V573-F1122 HydrophobicContact CG1-CE1 4.06Å; V573-F1122 HydrophobicContact CG2-CE1 4.18Å; V573-A1567 HydrophobicContact CB-CB 3.92Å; V573-A1567 HydrophobicContact CG1-CB 3.81Å
574L84.4Confident73.2Confident5 Ų552 Ų523%0.02625%0.254CS..Hα-helixtrans-62.7-39.3175.8-18058.4000112.1N571 W576 I577 I578 N1274 L1277 I1278N571-L574 HydrophobicContact CB-CB 3.99Å; N571-L574 PolarHBondContact O-N 2.83Å; N571-L574 PolarHBondContact OD1-N 3.15Å; L574-W576 VanDerWaalsContact C-N 3.35Å; L574-W576 PolarHBondContact O-N 3.29Å; L574-I577 WeakPolarHBondContact O-CB 3.34Å; L574-I577 PolarHBondContact O-N 2.84Å; L574-I578 HydrophobicContact CD1-CD1 4.14Å; L574-I578 HydrophobicContact CD1-CG1 4.39Å; L574-I578 HydrophobicContact CG-CD1 3.91Å; L574-I578 WeakPolarHBondContact O-CD1 3.42Å; L574-I578 VanDerWaalsContact O-CG1 3.31Å; L574-I578 WeakPolarHBondContact O-CG1 3.44Å; L574-I578 PolarHBondContact O-N 2.83Å; L574-N1274 HydrophobicContact CD2-CB 4.29Å; L574-L1277 HydrophobicContact CD1-CD2 4.21Å; L574-I1278 HydrophobicContact CD1-CD1 4.37Å; L574-I1278 HydrophobicContact CD1-CG1 4.07Å
575E83.1Confident74.2Confident24 Ų2448.5 Ų48.511%0.11224%0.236CC..Hα-helixtrans-61.9-39.9172.7-80.8-177.6-136.200112.9T570 N571 V573 I578 K579 L751T570-E575 WeakPolarHBondContact CB-OE1 3.4Å; T570-E575 WeakPolarHBondContact CG2-OE1 3.44Å; N571-E575 PolarHBondContact O-N 3.41Å; V573-E575 VanDerWaalsContact C-N 3.34Å; V573-E575 PolarHBondContact O-N 3.42Å; E575-I578 PolarHBondContact O-N 3.23Å; E575-K579 HydrophobicContact CB-CD 4.45Å; E575-K579 WeakPolarHBondContact O-CB 3.17Å; E575-K579 WeakPolarHBondContact O-CD 3.36Å; E575-K579 WeakPolarHBondContact O-CG 3.28Å; E575-K579 PolarHBondContact O-N 2.68Å; E575-K579 IonicContact OE2-NZ 2.69Å; E575-K579 PolarHBondContact OE2-NZ 2.98Å; E575-L751 HydrophobicContact CG-CD2 4.28Å
576W82.4Confident75Confident48 Ų4850.7 Ų50.718%0.18224%0.243CC..Hα-helixtrans-63.6-42.4175.3179.485.9000111.3P572 V573 L574 K579 R580 F1122 E1124 Y1281P572-W576 WeakPolarHBondContact O-CB 3.33Å; P572-W576 PolarHBondContact O-N 2.85Å; V573-W576 PolarHBondContact O-N 3.42Å; V573-W576 VanDerWaalsContact O-N 3.16Å; L574-W576 VanDerWaalsContact C-N 3.35Å; L574-W576 PolarHBondContact O-N 3.29Å; W576-K579 PolarHBondContact O-N 3.05Å; W576-R580 VanDerWaalsContact O-CB 3.27Å; W576-R580 WeakPolarHBondContact O-CB 3.44Å; W576-R580 PolarHBondContact O-N 3.47Å; W576-F1122 HydrophobicContact CB-CE2 4.37Å; W576-F1122 HydrophobicContact CB-CZ 4.45Å; W576-F1122 AromaticContact CD1-CD2 3.79Å; W576-F1122 HydrophobicContact CD2-CB 3.9Å; W576-F1122 HydrophobicContact CD2-CD1 4.24Å; W576-F1122 HydrophobicContact CD2-CD2 4.06Å; W576-F1122 AromaticContact CD2-CG 3.81Å; W576-F1122 HydrophobicContact CD2-CG 3.81Å; W576-F1122 AromaticContact CE2-CG 3.9Å; W576-F1122 HydrophobicContact CE3-CB 4.07Å; W576-F1122 HydrophobicContact CE3-CD1 4.17Å; W576-F1122 HydrophobicContact CE3-CG 4.11Å; W576-F1122 AromaticContact CG-CD2 3.92Å; W576-F1122 HydrophobicContact CG-CD2 3.92Å; W576-F1122 HydrophobicContact CG-CE2 4.15Å; W576-F1122 HydrophobicContact CG-CG 4.14Å; W576-F1122 HydrophobicContact CH2-CB 3.67Å; W576-F1122 HydrophobicContact CZ2-CB 3.47Å; W576-F1122 VanDerWaalsContact CZ2-CB 3.47Å; W576-F1122 HydrophobicContact CZ2-CG 4.3Å; W576-F1122 HydrophobicContact CZ3-CB 3.95Å; W576-F1122 HydrophobicContact CZ3-CG 4.45Å; W576-F1122 AromaticContact NE1-CD2 3.88Å; W576-E1124 HydrophobicContact CH2-CG 4.36Å; W576-E1124 HydrophobicContact CZ2-CG 3.88Å; W576-Y1281 WeakPolarHBondContact CZ3-OH 3.33Å
577I84.5Confident75.4Confident0 Ų048.8 Ų48.80%024%0.238CC..Hα-helixtrans-56.8-51.8173.5-63.4170.3000110.6V573 L574 K579 R580 L581 Y1281 Y1282V573-I577 WeakPolarHBondContact O-CG1 3.4Å; V573-I577 PolarHBondContact O-N 3.17Å; L574-I577 WeakPolarHBondContact O-CB 3.34Å; L574-I577 PolarHBondContact O-N 2.84Å; I577-K579 PolarHBondContact O-N 3.45Å; I577-R580 WeakPolarHBondContact O-CB 3.25Å; I577-R580 PolarHBondContact O-N 3.45Å; I577-R580 VanDerWaalsContact O-N 3.15Å; I577-L581 HydrophobicContact CG2-CD1 3.98Å; I577-L581 HydrophobicContact CG2-CG 4.42Å; I577-L581 WeakPolarHBondContact O-CG 3.33Å; I577-L581 PolarHBondContact O-N 3.11Å; I577-Y1281 HydrophobicContact CB-CE1 4.37Å; I577-Y1281 HydrophobicContact CD1-CD1 3.7Å; I577-Y1281 HydrophobicContact CD1-CE1 3.86Å; I577-Y1281 HydrophobicContact CD1-CG 4.48Å; I577-Y1281 HydrophobicContact CG1-CD1 3.85Å; I577-Y1281 HydrophobicContact CG1-CE1 3.55Å; I577-Y1281 HydrophobicContact CG2-CD1 3.92Å; I577-Y1281 HydrophobicContact CG2-CD2 3.79Å; I577-Y1281 HydrophobicContact CG2-CE1 4.07Å; I577-Y1281 HydrophobicContact CG2-CE2 3.94Å; I577-Y1281 HydrophobicContact CG2-CG 3.78Å; I577-Y1282 HydrophobicContact CD1-CE2 3.81Å
578I83.4Confident75.5Confident4 Ų448.8 Ų48.82%0.02125%0.245CC..Hα-helixtrans-62.4-46.2179.9-64.7158.3000111.1L574 E575 R580 L581 Y582 L751 L752 W1139L574-I578 HydrophobicContact CD1-CD1 4.14Å; L574-I578 HydrophobicContact CD1-CG1 4.39Å; L574-I578 HydrophobicContact CG-CD1 3.91Å; L574-I578 WeakPolarHBondContact O-CD1 3.42Å; L574-I578 VanDerWaalsContact O-CG1 3.31Å; L574-I578 WeakPolarHBondContact O-CG1 3.44Å; L574-I578 PolarHBondContact O-N 2.83Å; E575-I578 PolarHBondContact O-N 3.23Å; I578-R580 PolarHBondContact O-N 3.34Å; I578-L581 PolarHBondContact O-N 2.84Å; I578-Y582 WeakPolarHBondContact O-CB 3.46Å; I578-Y582 PolarHBondContact O-N 3.32Å; I578-L751 HydrophobicContact CD1-CD2 4.18Å; I578-L752 HydrophobicContact CG2-CD1 4.33Å; I578-W1139 HydrophobicContact CD1-CD2 4.14Å; I578-W1139 HydrophobicContact CD1-CH2 4.49Å; I578-W1139 HydrophobicContact CD1-CZ2 3.74Å; I578-W1139 HydrophobicContact CG1-CD2 4.07Å; I578-W1139 HydrophobicContact CG1-CG 4.34Å; I578-W1139 HydrophobicContact CG1-CZ2 4.41Å; I578-W1139 HydrophobicContact CG2-CD2 4.25Å; I578-W1139 HydrophobicContact CG2-CE3 3.95Å; I578-W1139 HydrophobicContact CG2-CH2 3.87Å; I578-W1139 HydrophobicContact CG2-CZ2 4.2Å; I578-W1139 HydrophobicContact CG2-CZ3 3.74Å
579K81.3Confident75Confident60 Ų6053.2 Ų53.226%0.26127%0.274SS..Hα-helixtrans-63.5-25.1177.1-72.5163.1180164.70112.1E575 W576 I577 K583 L752E575-K579 HydrophobicContact CB-CD 4.45Å; E575-K579 WeakPolarHBondContact O-CB 3.17Å; E575-K579 WeakPolarHBondContact O-CD 3.36Å; E575-K579 WeakPolarHBondContact O-CG 3.28Å; E575-K579 PolarHBondContact O-N 2.68Å; E575-K579 IonicContact OE2-NZ 2.69Å; E575-K579 PolarHBondContact OE2-NZ 2.98Å; W576-K579 PolarHBondContact O-N 3.05Å; I577-K579 PolarHBondContact O-N 3.45Å; K579-K583 WeakPolarHBondContact O-CD 3.33Å; K579-K583 VanDerWaalsContact O-CG 3.27Å; K579-K583 WeakPolarHBondContact O-CG 3.46Å; K579-L752 HydrophobicContact CG-CD1 3.86Å; K579-L752 HydrophobicContact CG-CG 4.15Å
580R81.4Confident74.4Confident38 Ų3856.9 Ų56.914%0.14330%0.295CS..Hα-helixtrans-80.3-48.2174.1-166.7179.8-168.3-137.7-5.5112W576 I577 I578 Y582 K583 L584 E1124 L1125 Y1281 M1285W576-R580 VanDerWaalsContact O-CB 3.27Å; W576-R580 WeakPolarHBondContact O-CB 3.44Å; W576-R580 PolarHBondContact O-N 3.47Å; I577-R580 WeakPolarHBondContact O-CB 3.25Å; I577-R580 PolarHBondContact O-N 3.45Å; I577-R580 VanDerWaalsContact O-N 3.15Å; I578-R580 PolarHBondContact O-N 3.34Å; R580-Y582 VanDerWaalsContact C-N 3.32Å; R580-Y582 PolarHBondContact O-N 3.47Å; R580-K583 PolarHBondContact O-N 3.34Å; R580-L584 WeakPolarHBondContact O-CG 3.28Å; R580-L584 PolarHBondContact O-N 2.91Å; R580-E1124 VanDerWaalsContact NH2-C 3.27Å; R580-E1124 VanDerWaalsContact NH2-CA 3.35Å; R580-L1125 PolarHBondContact NH1-O 2.97Å; R580-L1125 VanDerWaalsContact NH1-O 3.14Å; R580-L1125 PolarHBondContact NH2-O 3.33Å; R580-Y1281 WeakPolarHBondContact CD-OH 3.41Å; R580-Y1281 PolarHBondContact NH1-OH 3.35Å; R580-M1285 PolarHBondContact NH1-SD 2.65Å
581L81.6Confident73.2Confident2 Ų261.3 Ų61.31%0.0131%0.312CS..Hα-helixtrans-57.5-44.9175.2-69.3172.1000111.3I577 I578 K583 L584 N585 A1132 L1135 W1136 Y1281I577-L581 HydrophobicContact CG2-CD1 3.98Å; I577-L581 HydrophobicContact CG2-CG 4.42Å; I577-L581 WeakPolarHBondContact O-CG 3.33Å; I577-L581 PolarHBondContact O-N 3.11Å; I578-L581 PolarHBondContact O-N 2.84Å; L581-K583 PolarHBondContact O-N 3.15Å; L581-L584 PolarHBondContact O-N 2.97Å; L581-N585 PolarHBondContact O-N 3.06Å; L581-N585 VanDerWaalsContact O-N 3.14Å; L581-N585 PolarHBondContact O-ND2 3.46Å; L581-A1132 HydrophobicContact CD2-CB 3.92Å; L581-L1135 HydrophobicContact CD1-CB 4.08Å; L581-L1135 HydrophobicContact CD2-CB 4.22Å; L581-W1136 HydrophobicContact CB-CB 4.36Å; L581-Y1281 HydrophobicContact CD2-CD2 4.44Å
582Y78.5Confident71.5Confident83 Ų8365.1 Ų65.133%0.32534%0.339SS..Hα-helixtrans-59-43.4176.4-176-96000112.7I578 R580 L584 N585 F586I578-Y582 WeakPolarHBondContact O-CB 3.46Å; I578-Y582 PolarHBondContact O-N 3.32Å; R580-Y582 VanDerWaalsContact C-N 3.32Å; R580-Y582 PolarHBondContact O-N 3.47Å; Y582-L584 VanDerWaalsContact C-N 3.3Å; Y582-L584 PolarHBondContact O-N 2.59Å; Y582-N585 PolarHBondContact O-N 2.88Å; Y582-F586 AromaticContact CD2-CD2 3.54Å; Y582-F586 HydrophobicContact CD2-CD2 3.54Å; Y582-F586 HydrophobicContact CD2-CE2 4.06Å; Y582-F586 HydrophobicContact CD2-CG 4.48Å; Y582-F586 HydrophobicContact CE1-CB 4.28Å; Y582-F586 HydrophobicContact CE2-CB 4.34Å; Y582-F586 AromaticContact CE2-CD2 3.4Å; Y582-F586 HydrophobicContact CE2-CD2 3.4Å; Y582-F586 VanDerWaalsContact CE2-CD2 3.4Å; Y582-F586 AromaticContact CE2-CE2 3.94Å; Y582-F586 HydrophobicContact CE2-CE2 3.94Å; Y582-F586 HydrophobicContact CE2-CG 4.03Å; Y582-F586 HydrophobicContact CG-CD2 4.25Å; Y582-F586 PolarHBondContact O-N 2.92Å
583K78.7Confident70Confident152 Ų15269 Ų6966%0.66136%0.357SS*.Hα-helixtrans-66-27.7177.4-76.5172.5-178.6178.30114K579 R580 L581K579-K583 WeakPolarHBondContact O-CD 3.33Å; K579-K583 VanDerWaalsContact O-CG 3.27Å; K579-K583 WeakPolarHBondContact O-CG 3.46Å; R580-K583 PolarHBondContact O-N 3.34Å; L581-K583 PolarHBondContact O-N 3.15Å
584L77.3Confident68.4Low65 Ų6578.1 Ų78.134%0.3440%0.397SS..Hα-helixtrans-76.1-38.7176.7-69.3170.4000111.4R580 L581 Y582 V1127 A1132R580-L584 WeakPolarHBondContact O-CG 3.28Å; R580-L584 PolarHBondContact O-N 2.91Å; L581-L584 PolarHBondContact O-N 2.97Å; Y582-L584 VanDerWaalsContact C-N 3.3Å; Y582-L584 PolarHBondContact O-N 2.59Å; L584-V1127 HydrophobicContact CD1-CB 4.36Å; L584-A1132 HydrophobicContact CB-CB 4.16Å; L584-A1132 HydrophobicContact CD1-CB 3.87Å
585N73.5Confident66.9Low34 Ų3480.9 Ų80.918%0.18242%0.416CS..Hα-helixtrans-84.8-31.4-177.5-59.8-18.1000112.8L581 Y582 P587 A1132 H1133 W1136L581-N585 PolarHBondContact O-N 3.06Å; L581-N585 VanDerWaalsContact O-N 3.14Å; L581-N585 PolarHBondContact O-ND2 3.46Å; Y582-N585 PolarHBondContact O-N 2.88Å; N585-P587 VanDerWaalsContact C-CD 3.46Å; N585-P587 WeakPolarHBondContact O-CD 3.34Å; N585-A1132 PolarHBondContact ND2-O 2.87Å; N585-H1133 PolarHBondContact OD1-N 3.13Å; N585-W1136 WeakPolarHBondContact ND2-CB 3.28Å
586F72.9Confident65.5Low97 Ų9786.1 Ų86.143%0.42545%0.445SS..SBendtrans-122.871.3179.3-56.6-79.1000110.9Y582 W1136Y582-F586 AromaticContact CD2-CD2 3.54Å; Y582-F586 HydrophobicContact CD2-CD2 3.54Å; Y582-F586 HydrophobicContact CD2-CE2 4.06Å; Y582-F586 HydrophobicContact CD2-CG 4.48Å; Y582-F586 HydrophobicContact CE1-CB 4.28Å; Y582-F586 HydrophobicContact CE2-CB 4.34Å; Y582-F586 AromaticContact CE2-CD2 3.4Å; Y582-F586 HydrophobicContact CE2-CD2 3.4Å; Y582-F586 VanDerWaalsContact CE2-CD2 3.4Å; Y582-F586 AromaticContact CE2-CE2 3.94Å; Y582-F586 HydrophobicContact CE2-CE2 3.94Å; Y582-F586 HydrophobicContact CE2-CG 4.03Å; Y582-F586 HydrophobicContact CG-CD2 4.25Å; Y582-F586 PolarHBondContact O-N 2.92Å; F586-W1136 HydrophobicContact CE2-CD2 4.37Å; F586-W1136 AromaticContact CE2-CE2 3.87Å; F586-W1136 AromaticContact CE2-CH2 3.9Å; F586-W1136 HydrophobicContact CE2-CH2 3.9Å; F586-W1136 AromaticContact CE2-CZ2 3.64Å; F586-W1136 HydrophobicContact CE2-CZ2 3.64Å; F586-W1136 HydrophobicContact CE2-CZ3 4.36Å; F586-W1136 AromaticContact CZ-CH2 3.85Å; F586-W1136 HydrophobicContact CZ-CH2 3.85Å; F586-W1136 HydrophobicContact CZ-CZ2 4.03Å; F586-W1136 HydrophobicContact CZ-CZ3 4.31Å
587P64.3Low64.5Low87 Ų8784.8 Ų84.857%0.56544%0.441SS*.  trans-62137.2170.227.8-34.2000109.7N585 T589N585-P587 VanDerWaalsContact C-CD 3.46Å; N585-P587 WeakPolarHBondContact O-CD 3.34Å; P587-T589 PolarHBondContact O-N 3.45Å
588P57.1Low63.4Low117 Ų11787.3 Ų87.376%0.7646%0.458SS*.  trans-64.8120.3-178.526-33.8000110.6I590P588-I590 WeakPolarHBondContact O-CG1 3.47Å; P588-I590 PolarHBondContact O-N 3.15Å; P588-I590 VanDerWaalsContact O-N 3.1Å
589T49Very low62.5Low122 Ų12296.4 Ų96.475%0.74850%0.5SS*.  trans-65.5108.3179.4380000110.7P587 E591P587-T589 PolarHBondContact O-N 3.45Å; T589-E591 PolarHBondContact O-N 3.04Å
590I47.8Very low62.1Low149 Ų14993.8 Ų93.876%0.76449%0.489SS*.  trans-81.458177.4-43.1-178.5000109.8P588 S592P588-I590 WeakPolarHBondContact O-CG1 3.47Å; P588-I590 PolarHBondContact O-N 3.15Å; P588-I590 VanDerWaalsContact O-N 3.1Å; I590-S592 PolarHBondContact O-N 2.92Å
591E41.4Very low61.6Low151 Ų15194.8 Ų94.871%0.70650%0.5SS*.  trans-79.153.6170.3-71.3-170.2-164.300110.9T589 N593T589-E591 PolarHBondContact O-N 3.04Å; E591-N593 PolarHBondContact O-N 3.28Å
592S43.3Very low61.3Low84 Ų8495.7 Ų95.759%0.58751%0.505SS*.  trans-76.675.816467.30000108.9I590 K594I590-S592 PolarHBondContact O-N 2.92Å; S592-K594 PolarHBondContact O-N 3.34Å
593N43.9Very low61.5Low126 Ų12693.4 Ų93.467%0.67450%0.497SS*.  trans-56.3106.8163.1-77.3-26.1000107.2E591 S595E591-N593 PolarHBondContact O-N 3.28Å; N593-S595 PolarHBondContact O-N 3.5Å
594K46.2Very low61.7Low193 Ų19386.1 Ų86.184%0.83947%0.465SS*.  trans-58.9122.9173.9-72.2179179.4174.50106.6S592 D596S592-K594 PolarHBondContact O-N 3.34Å; K594-D596 PolarHBondContact O-N 2.93Å
595S52.4Low62.1Low62 Ų6283 Ų8343%0.43445%0.449SS..  trans-56.2126.3177.654.90000110.3N593 L597N593-S595 PolarHBondContact O-N 3.5Å; S595-L597 PolarHBondContact O-N 2.99Å
596D54.6Low62.6Low135 Ų13581.4 Ų81.472%0.72244%0.44SS*.SBendtrans-62.1-6.6176.4-66.1-31.4000113.6K594K594-D596 PolarHBondContact O-N 2.93Å
597L60.5Low63.2Low19 Ų1977 Ų7710%0.09942%0.421CS..SBendtrans-80131.5179.7-61.6-179.9000112S595 F600 Y702 I705 K706 L733S595-L597 PolarHBondContact O-N 2.99Å; L597-F600 HydrophobicContact CB-CE2 4.38Å; L597-Y702 HydrophobicContact CD1-CD2 4.5Å; L597-Y702 HydrophobicContact CD1-CE2 3.78Å; L597-Y702 HydrophobicContact CD2-CE2 4.44Å; L597-Y702 HydrophobicContact CG-CE2 4.22Å; L597-I705 HydrophobicContact CD1-CG2 4.3Å; L597-I705 HydrophobicContact CD2-CG2 4.12Å; L597-K706 HydrophobicContact CD2-CB 4.08Å; L597-L733 HydrophobicContact CD1-CD2 3.65Å
598P61.6Low64.1Low54 Ų5473.1 Ų73.135%0.35140%0.397SS..  trans-72.9165.6173.132.4-36.2000112.5F600 P710P598-F600 HydrophobicContact CG-CE1 4.26Å; P598-F600 HydrophobicContact CG-CE2 4.33Å; P598-F600 HydrophobicContact CG-CZ 3.96Å; P598-F600 WeakPolarHBondContact O-CD2 3.49Å; P598-F600 PolarHBondContact O-N 3.18Å; P598-P710 HydrophobicContact CB-CB 3.78Å; P598-P710 HydrophobicContact CG-CB 3.8Å
599E64.6Low65.4Low194 Ų19468.6 Ų68.691%0.90737%0.365SS*.  trans-73.590.1179.2-70.4-160.8143.100112.6
600F73.2Confident66.7Low5 Ų564.1 Ų64.12%0.02234%0.338CS..  trans-64.6143173.3-61.5-72.7000113L597 P598 I602 K603 I705 L708 I712 F714 K928L597-F600 HydrophobicContact CB-CE2 4.38Å; P598-F600 HydrophobicContact CG-CE1 4.26Å; P598-F600 HydrophobicContact CG-CE2 4.33Å; P598-F600 HydrophobicContact CG-CZ 3.96Å; P598-F600 WeakPolarHBondContact O-CD2 3.49Å; P598-F600 PolarHBondContact O-N 3.18Å; F600-I602 PolarHBondContact O-N 3.14Å; F600-K603 HydrophobicContact CB-CG 4.3Å; F600-I705 HydrophobicContact CE2-CG2 3.74Å; F600-I705 HydrophobicContact CZ-CG2 4.1Å; F600-I705 WeakPolarHBondContact CZ-O 3.37Å; F600-L708 HydrophobicContact CE1-CB 4.09Å; F600-L708 HydrophobicContact CZ-CB 4.48Å; F600-I712 WeakPolarHBondContact CD1-O 3.35Å; F600-F714 HydrophobicContact CD2-CD1 4.39Å; F600-F714 AromaticContact CD2-CE1 4Å; F600-F714 HydrophobicContact CD2-CE1 4Å; F600-F714 HydrophobicContact CE2-CE1 4.39Å; F600-F714 HydrophobicContact CG-CD1 4.43Å; F600-F714 HydrophobicContact CG-CE1 4.41Å; F600-K928 PolarHBondContact O-NZ 3.32Å; F600-K928 VanDerWaalsContact O-NZ 3.12Å
601P71.1Confident68.1Low59 Ų5960.8 Ų60.838%0.38332%0.322SS..SBendtrans-67.6-36.3-178.426-34.3000112.8P710 K928P601-P710 WeakPolarHBondContact CD-O 3.43Å; P601-K928 PolarHBondContact O-NZ 2.95Å
602I76.3Confident69.8Low22 Ų2253.8 Ų53.811%0.11329%0.289CS..  trans-140129.5-179-55.4170.9000109.2F600 L604 G713 F714 I921 I925F600-I602 PolarHBondContact O-N 3.14Å; I602-L604 HydrophobicContact CG2-CB 4.29Å; I602-G713 VanDerWaalsContact O-CA 3.22Å; I602-G713 WeakPolarHBondContact O-CA 3.38Å; I602-F714 PolarHBondContact O-N 3.08Å; I602-I921 HydrophobicContact CD1-CG2 4.32Å; I602-I925 HydrophobicContact CD1-CD1 3.66Å; I602-I925 HydrophobicContact CD1-CG1 3.98Å; I602-I925 HydrophobicContact CG1-CD1 4.42Å; I602-I925 HydrophobicContact CG1-CG1 4.2Å
603K82.5Confident71.4Confident34 Ų3451 Ų5115%0.14827%0.273CS..EExtended strand (participates in β ladder)trans-121.597.1170.7-55.5-179.8-179178.60110.1F600 F714 G765 L766 D767 L768F600-K603 HydrophobicContact CB-CG 4.3Å; K603-F714 HydrophobicContact CB-CE1 4.23Å; K603-F714 HydrophobicContact CB-CE2 4.33Å; K603-F714 HydrophobicContact CB-CZ 3.89Å; K603-F714 HydrophobicContact CD-CE1 4.4Å; K603-F714 HydrophobicContact CD-CZ 4.27Å; K603-F714 HydrophobicContact CG-CE1 3.8Å; K603-F714 HydrophobicContact CG-CZ 3.88Å; K603-G765 WeakPolarHBondContact CD-O 3.4Å; K603-G765 PolarHBondContact NZ-O 3.47Å; K603-L766 HydrophobicContact CB-CD2 4.47Å; K603-D767 HydrophobicContact CB-CB 4.12Å; K603-D767 PolarHBondContact N-OD2 3.38Å; K603-D767 WeakPolarHBondContact O-CB 3.43Å; K603-D767 PolarHBondContact O-N 2.88Å; K603-D767 VanDerWaalsContact O-N 3.16Å; K603-L768 PolarHBondContact O-N 3Å
604L82.7Confident73.3Confident0 Ų046.1 Ų46.10%025%0.246CC..EExtended strand (participates in β ladder)trans-110141-172.9-164.972000111.7I602 L606 F714 I715 L716 L768 I770 I921I602-L604 HydrophobicContact CG2-CB 4.29Å; L604-L606 HydrophobicContact CD2-CD1 4.49Å; L604-F714 PolarHBondContact N-O 3.46Å; L604-I715 HydrophobicContact CB-CB 4.39Å; L604-I715 HydrophobicContact CB-CG1 4.05Å; L604-I715 HydrophobicContact CB-CG2 4.29Å; L604-I715 HydrophobicContact CD2-CB 4.47Å; L604-I715 HydrophobicContact CD2-CD1 4.09Å; L604-I715 HydrophobicContact CD2-CG1 3.93Å; L604-I715 HydrophobicContact CD2-CG2 3.88Å; L604-I715 HydrophobicContact CG-CG2 4.32Å; L604-I715 CarbonylContact O-C 3.54Å; L604-I715 WeakPolarHBondContact O-CA 3.24Å; L604-L716 PolarHBondContact O-N 3.23Å; L604-L768 WeakPolarHBondContact CA-O 3.36Å; L604-L768 HydrophobicContact CD1-CB 3.8Å; L604-L768 HydrophobicContact CD1-CD2 3.61Å; L604-L768 HydrophobicContact CD1-CG 3.63Å; L604-I770 HydrophobicContact CD1-CD1 4Å; L604-I770 HydrophobicContact CD1-CG1 4.14Å; L604-I770 HydrophobicContact CD2-CD1 4.4Å; L604-I921 HydrophobicContact CD2-CD1 3.84Å; L604-I921 HydrophobicContact CD2-CG1 4.31Å
605A85.1Confident75.1Confident0 Ų040.1 Ų40.10%023%0.226CC..EExtended strand (participates in β ladder)trans-116.7129.3160.200000109.9L716 L766 L768 I769 I770A605-L716 HydrophobicContact CB-CB 4.33Å; A605-L716 HydrophobicContact CB-CD1 4.31Å; A605-L766 HydrophobicContact CB-CD1 4.08Å; A605-L768 PolarHBondContact N-O 3.25Å; A605-I769 HydrophobicContact CB-CG1 4.33Å; A605-I769 HydrophobicContact CB-CG2 4.4Å; A605-I769 WeakPolarHBondContact O-CA 3.4Å; A605-I770 PolarHBondContact O-N 3.4Å
606L84.9Confident76.4Confident0 Ų040.7 Ų40.70%023%0.227CC..EExtended strand (participates in β ladder)trans-116.6103.7-175.6-154.5161.2000108.8L604 K614 I618 L621 I715 L716 G718 L772L604-L606 HydrophobicContact CD2-CD1 4.49Å; L606-K614 HydrophobicContact CD2-CB 4.04Å; L606-K614 HydrophobicContact CD2-CD 4.21Å; L606-K614 HydrophobicContact CD2-CG 3.72Å; L606-K614 VanDerWaalsContact O-CD 3.29Å; L606-K614 WeakPolarHBondContact O-CD 3.24Å; L606-I618 HydrophobicContact CB-CD1 4.4Å; L606-I618 HydrophobicContact CD1-CG1 4.14Å; L606-L621 HydrophobicContact CD1-CD1 4.43Å; L606-I715 HydrophobicContact CB-CG2 3.97Å; L606-I715 HydrophobicContact CD1-CG2 4.42Å; L606-L716 PolarHBondContact N-O 3.01Å; L606-G718 PolarHBondContact O-N 2.83Å; L606-L772 HydrophobicContact CD2-CD1 3.79Å; L606-L772 HydrophobicContact CD2-CG 3.93Å
607L84.8Confident77.6Confident4 Ų434.8 Ų34.82%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-112.5163.3-167.7-57.5-179.1000111.3I769 I770 L771 L772 W869L607-I769 HydrophobicContact CD1-CG2 3.85Å; L607-I769 HydrophobicContact CG-CG2 4.35Å; L607-I770 PolarHBondContact N-O 3.21Å; L607-L771 HydrophobicContact CB-CD1 4.43Å; L607-L772 PolarHBondContact O-N 3.44Å; L607-W869 HydrophobicContact CB-CZ3 4.47Å; L607-W869 HydrophobicContact CD1-CH2 4.4Å; L607-W869 HydrophobicContact CD1-CZ3 3.85Å
608G83.9Confident78.6Confident5 Ų534.1 Ų34.15%0.05219%0.191CC..EExtended strand (participates in β ladder)trans147.5169.3177.400000112.9K614 L772G608-K614 PolarHBondContact O-NZ 3.16Å; G608-L772 WeakPolarHBondContact CA-O 3.33Å
609K84.1Confident79.6Confident23 Ų2334 Ų3410%0.119%0.192CC..SBendtrans-53.8156.9-176.4-61.6177.9-172.31760112.8S612 K614 D773 I774 D776 I779 F865K609-S612 WeakPolarHBondContact O-CB 3.39Å; K609-S612 PolarHBondContact O-N 3.27Å; K609-S612 PolarHBondContact O-OG 2.95Å; K609-K614 PolarHBondContact O-NZ 3.04Å; K609-K614 VanDerWaalsContact O-NZ 3.14Å; K609-D773 VanDerWaalsContact CE-OD1 3.27Å; K609-D773 WeakPolarHBondContact CE-OD1 3.5Å; K609-D773 IonicContact NZ-OD1 2.74Å; K609-D773 PolarHBondContact NZ-OD1 2.92Å; K609-I774 WeakPolarHBondContact CD-O 3.32Å; K609-I774 WeakPolarHBondContact CE-O 3.39Å; K609-I774 PolarHBondContact NZ-O 3.11Å; K609-D776 IonicContact NZ-OD1 3.43Å; K609-D776 PolarHBondContact NZ-OD1 3.23Å; K609-I779 HydrophobicContact CB-CD1 3.49Å; K609-I779 VanDerWaalsContact CB-CD1 3.49Å; K609-I779 HydrophobicContact CD-CD1 3.66Å; K609-I779 HydrophobicContact CG-CD1 4.2Å; K609-F865 HydrophobicContact CG-CD1 3.85Å; K609-F865 HydrophobicContact CG-CE1 3.76Å
610P76.3Confident80.2Confident28 Ų2827.6 Ų27.618%0.18216%0.162CC..THydrogen-bonded Turntrans-60153.6173.925-33.7000111.8S612 R861 L862P610-S612 PolarHBondContact O-N 3.33Å; P610-S612 VanDerWaalsContact O-N 3.14Å; P610-R861 HydrophobicContact CG-CB 4.41Å; P610-L862 HydrophobicContact CG-CB 3.76Å; P610-L862 HydrophobicContact CG-CD1 4.06Å; P610-L862 HydrophobicContact CG-CG 4.11Å
611L76.2Confident80.5Confident79 Ų7927.4 Ų27.441%0.41416%0.161SC..THydrogen-bonded Turntrans57.318.5-176-59.1169000115.6G613 I779 R782 V783 I858L611-G613 VanDerWaalsContact C-N 3.31Å; L611-G613 PolarHBondContact O-N 3.07Å; L611-I779 HydrophobicContact CB-CG2 4.29Å; L611-I779 HydrophobicContact CD1-CG2 4.43Å; L611-R782 WeakPolarHBondContact O-CD 3.21Å; L611-R782 PolarHBondContact O-NH1 3.26Å; L611-V783 HydrophobicContact CD1-CG2 3.44Å; L611-V783 VanDerWaalsContact CD1-CG2 3.44Å; L611-I858 HydrophobicContact CD1-CD1 4.39Å; L611-I858 HydrophobicContact CD1-CG2 4.18Å
612S77.7Confident81Confident4 Ų428.2 Ų28.23%0.02816%0.16CC..SBendtrans-70.5-24.2176.260.50000114.5K609 P610 K614 I774 R782K609-S612 WeakPolarHBondContact O-CB 3.39Å; K609-S612 PolarHBondContact O-N 3.27Å; K609-S612 PolarHBondContact O-OG 2.95Å; P610-S612 PolarHBondContact O-N 3.33Å; P610-S612 VanDerWaalsContact O-N 3.14Å; S612-K614 WeakPolarHBondContact OG-CG 3.32Å; S612-I774 VanDerWaalsContact CA-CD1 3.44Å; S612-I774 VanDerWaalsContact CB-CD1 3.42Å; S612-R782 VanDerWaalsContact C-NH1 3.27Å; S612-R782 PolarHBondContact O-NH1 3.16Å
613G77.3Confident81.2Confident24 Ų2434.5 Ų34.525%0.24719%0.186CC..SBendtrans107.38.2-179.700000114.8L611 T615 T616 I617L611-G613 VanDerWaalsContact C-N 3.31Å; L611-G613 PolarHBondContact O-N 3.07Å; G613-T615 PolarHBondContact O-N 2.92Å; G613-T616 WeakPolarHBondContact O-CB 3.37Å; G613-T616 PolarHBondContact O-N 2.68Å; G613-T616 VanDerWaalsContact O-N 3.09Å; G613-I617 WeakPolarHBondContact O-CG1 3.32Å; G613-I617 PolarHBondContact O-N 3.48Å
614K83.1Confident80.7Confident25 Ų2538 Ų3811%0.10921%0.206CC..Hα-helixtrans-43.4-59.1-179.8-62.1-174.7-71.3-74.80113L606 G608 K609 S612 T616 I617 I618 D717 L772L606-K614 HydrophobicContact CD2-CB 4.04Å; L606-K614 HydrophobicContact CD2-CD 4.21Å; L606-K614 HydrophobicContact CD2-CG 3.72Å; L606-K614 VanDerWaalsContact O-CD 3.29Å; L606-K614 WeakPolarHBondContact O-CD 3.24Å; G608-K614 PolarHBondContact O-NZ 3.16Å; K609-K614 PolarHBondContact O-NZ 3.04Å; K609-K614 VanDerWaalsContact O-NZ 3.14Å; S612-K614 WeakPolarHBondContact OG-CG 3.32Å; K614-T616 VanDerWaalsContact C-N 3.3Å; K614-T616 PolarHBondContact O-N 3.37Å; K614-I617 WeakPolarHBondContact O-CB 3.39Å; K614-I617 PolarHBondContact O-N 3.3Å; K614-I617 VanDerWaalsContact O-N 3.1Å; K614-I618 VanDerWaalsContact O-CG1 3.3Å; K614-I618 WeakPolarHBondContact O-CG1 3.38Å; K614-I618 PolarHBondContact O-N 3.16Å; K614-D717 WeakPolarHBondContact CB-OD1 3.36Å; K614-D717 WeakPolarHBondContact CE-OD1 3.35Å; K614-L772 HydrophobicContact CG-CD1 4.29Å
615T83.4Confident80.1Confident67 Ų6740.5 Ų40.541%0.41122%0.22SC..Hα-helixtrans-59.1-39.6-177.4-34.80000112.2G613 I618 S619 D717G613-T615 PolarHBondContact O-N 2.92Å; T615-I618 PolarHBondContact O-N 2.7Å; T615-S619 PolarHBondContact O-N 3.11Å; T615-S619 PolarHBondContact O-OG 3.21Å; T615-D717 WeakPolarHBondContact CA-OD2 3.44Å; T615-D717 VanDerWaalsContact CB-OD2 3.27Å; T615-D717 WeakPolarHBondContact CB-OD2 3.32Å; T615-D717 WeakPolarHBondContact CG2-OD2 3.2Å; T615-D717 PolarHBondContact OG1-OD2 3.39Å
616T80.2Confident79.6Confident74 Ų7450.3 Ų50.345%0.45426%0.257SS..Hα-helixtrans-64.3-44175.7-43.90000111.9G613 K614 S619 Q620G613-T616 WeakPolarHBondContact O-CB 3.37Å; G613-T616 PolarHBondContact O-N 2.68Å; G613-T616 VanDerWaalsContact O-N 3.09Å; K614-T616 VanDerWaalsContact C-N 3.3Å; K614-T616 PolarHBondContact O-N 3.37Å; T616-S619 PolarHBondContact O-N 3.42Å; T616-Q620 WeakPolarHBondContact O-CG 3.35Å; T616-Q620 PolarHBondContact O-N 3.28Å; T616-Q620 VanDerWaalsContact O-N 3.17Å
617I80.3Confident79.2Confident11 Ų1151 Ų516%0.05626%0.261CS..Hα-helixtrans-65.3-41.4176.7-66.2159000110.2G613 K614 Q620 L621 L772 V913 I917G613-I617 WeakPolarHBondContact O-CG1 3.32Å; G613-I617 PolarHBondContact O-N 3.48Å; K614-I617 WeakPolarHBondContact O-CB 3.39Å; K614-I617 PolarHBondContact O-N 3.3Å; K614-I617 VanDerWaalsContact O-N 3.1Å; I617-Q620 PolarHBondContact O-N 3.05Å; I617-L621 HydrophobicContact CG2-CD1 3.95Å; I617-L621 HydrophobicContact CG2-CG 4.38Å; I617-L621 WeakPolarHBondContact O-CG 2.96Å; I617-L621 PolarHBondContact O-N 2.87Å; I617-L772 HydrophobicContact CD1-CD1 3.68Å; I617-V913 HydrophobicContact CD1-CG1 3.81Å; I617-I917 HydrophobicContact CD1-CD1 3.86Å; I617-I917 HydrophobicContact CG2-CD1 3.81Å; I617-I917 HydrophobicContact CG2-CG2 4.49Å
618I82Confident79.1Confident4 Ų452.9 Ų52.92%0.02127%0.273CS..Hα-helixtrans-62-49.3177-70.1168.5000110.1L606 K614 T615 Q620 L621 E622 I715 D717L606-I618 HydrophobicContact CB-CD1 4.4Å; L606-I618 HydrophobicContact CD1-CG1 4.14Å; K614-I618 VanDerWaalsContact O-CG1 3.3Å; K614-I618 WeakPolarHBondContact O-CG1 3.38Å; K614-I618 PolarHBondContact O-N 3.16Å; T615-I618 PolarHBondContact O-N 2.7Å; I618-Q620 PolarHBondContact O-N 3.03Å; I618-Q620 VanDerWaalsContact O-N 3.1Å; I618-L621 CarbonylContact O-C 3.56Å; I618-L621 WeakPolarHBondContact O-CA 3.32Å; I618-L621 WeakPolarHBondContact O-CB 3.38Å; I618-L621 PolarHBondContact O-N 3.17Å; I618-E622 HydrophobicContact CG2-CG 4.21Å; I618-E622 WeakPolarHBondContact O-CG 3.34Å; I618-E622 PolarHBondContact O-N 3.27Å; I618-I715 HydrophobicContact CD1-CG2 3.93Å; I618-I715 HydrophobicContact CG1-CG2 3.96Å; I618-D717 HydrophobicContact CD1-CB 3.5Å; I618-D717 VanDerWaalsContact CD1-CB 3.5Å
619S81.5Confident79Confident51 Ų5153.7 Ų53.736%0.35728%0.281SS..Hα-helixtrans-70-4.6176.5-58.90000115.4T615 T616 E622 K623T615-S619 PolarHBondContact O-N 3.11Å; T615-S619 PolarHBondContact O-OG 3.21Å; T616-S619 PolarHBondContact O-N 3.42Å; S619-E622 VanDerWaalsContact CA-OE2 3.29Å; S619-E622 WeakPolarHBondContact CA-OE2 3.34Å; S619-E622 PolarHBondContact OG-OE2 3.33Å; S619-K623 WeakPolarHBondContact O-CD 3.26Å; S619-K623 WeakPolarHBondContact O-CG 3.3Å
620Q78.6Confident79Confident60 Ų6052.8 Ų52.828%0.2828%0.277SS..Hα-helixtrans-92.9-37.9163.2-68.9178.3-76.700111.4T616 I617 I618 K623 N624 Y914T616-Q620 WeakPolarHBondContact O-CG 3.35Å; T616-Q620 PolarHBondContact O-N 3.28Å; T616-Q620 VanDerWaalsContact O-N 3.17Å; I617-Q620 PolarHBondContact O-N 3.05Å; I618-Q620 PolarHBondContact O-N 3.03Å; I618-Q620 VanDerWaalsContact O-N 3.1Å; Q620-K623 PolarHBondContact O-N 3.37Å; Q620-N624 PolarHBondContact O-N 3.12Å; Q620-Y914 HydrophobicContact CB-CD2 3.69Å; Q620-Y914 HydrophobicContact CB-CE2 3.73Å
621L78.6Confident79.4Confident2 Ų253.2 Ų53.21%0.0128%0.278CS..Hα-helixtrans-65.1-37.5173.5-71.6168.9000112L606 I617 I618 K623 N624 N625 I715 Y914 I917 I921L606-L621 HydrophobicContact CD1-CD1 4.43Å; I617-L621 HydrophobicContact CG2-CD1 3.95Å; I617-L621 HydrophobicContact CG2-CG 4.38Å; I617-L621 WeakPolarHBondContact O-CG 2.96Å; I617-L621 PolarHBondContact O-N 2.87Å; I618-L621 CarbonylContact O-C 3.56Å; I618-L621 WeakPolarHBondContact O-CA 3.32Å; I618-L621 WeakPolarHBondContact O-CB 3.38Å; I618-L621 PolarHBondContact O-N 3.17Å; L621-K623 VanDerWaalsContact C-N 3.26Å; L621-K623 PolarHBondContact O-N 3.12Å; L621-N624 PolarHBondContact O-N 3.13Å; L621-N625 WeakPolarHBondContact O-CA 3.46Å; L621-N625 WeakPolarHBondContact O-CB 3.23Å; L621-N625 PolarHBondContact O-N 2.8Å; L621-I715 HydrophobicContact CB-CD1 4.1Å; L621-I715 HydrophobicContact CD1-CD1 3.96Å; L621-Y914 HydrophobicContact CD2-CD2 4.46Å; L621-Y914 HydrophobicContact CD2-CE2 3.63Å; L621-Y914 HydrophobicContact CG-CD2 4.46Å; L621-Y914 HydrophobicContact CG-CE2 3.83Å; L621-I917 HydrophobicContact CD1-CG2 4.22Å; L621-I921 HydrophobicContact CD1-CD1 4.1Å; L621-I921 HydrophobicContact CD2-CD1 4.17Å
622E81.7Confident79.7Confident75 Ų7550.4 Ų50.435%0.3527%0.265SS..Hα-helixtrans-62.4-30.2174.5-70.7178.1122.300113I618 S619 G629I618-E622 HydrophobicContact CG2-CG 4.21Å; I618-E622 WeakPolarHBondContact O-CG 3.34Å; I618-E622 PolarHBondContact O-N 3.27Å; S619-E622 VanDerWaalsContact CA-OE2 3.29Å; S619-E622 WeakPolarHBondContact CA-OE2 3.34Å; S619-E622 PolarHBondContact OG-OE2 3.33Å; E622-G629 WeakPolarHBondContact OE1-CA 3.43Å; E622-G629 PolarHBondContact OE1-N 3.34Å
623K79.4Confident80Confident155 Ų15557.6 Ų57.667%0.67429%0.292SS*.Hα-helixtrans-80-31.7178.5-69.9179-178.8-174.10112.6S619 Q620 L621S619-K623 WeakPolarHBondContact O-CD 3.26Å; S619-K623 WeakPolarHBondContact O-CG 3.3Å; Q620-K623 PolarHBondContact O-N 3.37Å; L621-K623 VanDerWaalsContact C-N 3.26Å; L621-K623 PolarHBondContact O-N 3.12Å
624N73.5Confident80.3Confident106 Ų10659.5 Ų59.557%0.56730%0.299SS*.Hα-helixtrans-104-28.2-170.2-66.2-9.7000113.4Q620 L621 Y914Q620-N624 PolarHBondContact O-N 3.12Å; L621-N624 PolarHBondContact O-N 3.13Å; N624-Y914 VanDerWaalsContact CB-OH 3.23Å; N624-Y914 WeakPolarHBondContact CB-OH 3.47Å; N624-Y914 VanDerWaalsContact ND2-CZ 3.31Å; N624-Y914 PolarHBondContact ND2-OH 3.1Å
625N69.3Low80.3Confident53 Ų5358.7 Ų58.728%0.28330%0.296SS..SBendtrans-122.5156.1-176.3-72.1-79000111L621 C627 E918L621-N625 WeakPolarHBondContact O-CA 3.46Å; L621-N625 WeakPolarHBondContact O-CB 3.23Å; L621-N625 PolarHBondContact O-N 2.8Å; N625-C627 PolarHBondContact O-N 3.21Å; N625-E918 PolarHBondContact ND2-OE1 3Å
626R74.4Confident80.4Confident206 Ų20656.7 Ų56.778%0.77728%0.283SS*.SBendtrans-78.364.3178-66.5-175.6-178.9173.40.4111.8G713R626-G713 PolarHBondContact O-N 2.87Å
627C77.2Confident80.7Confident14 Ų1457 Ų5710%0.09528%0.279CS..EExtended strand (participates in β ladder)trans-133.7147.2179.9-70.60000111.4N625 G713 I715N625-C627 PolarHBondContact O-N 3.21Å; C627-G713 CarbonylContact C-O 3.6Å; C627-G713 VanDerWaalsContact CA-O 3.26Å; C627-G713 WeakPolarHBondContact CA-O 3.13Å; C627-I715 HydrophobicContact CB-CD1 3.89Å; C627-I715 HydrophobicContact CB-CG1 4.03Å
628V82.3Confident80.9Confident45 Ų4559.3 Ų59.327%0.27329%0.29SS..EExtended strand (participates in β ladder)trans-108.1132.7170.9172.30000109.9L708 I712 G713 F714 I715V628-L708 HydrophobicContact CB-CD2 4.43Å; V628-L708 HydrophobicContact CG1-CD2 4.48Å; V628-L708 HydrophobicContact CG2-CD2 4.26Å; V628-I712 HydrophobicContact CG2-CG2 3.96Å; V628-G713 PolarHBondContact N-O 2.86Å; V628-F714 WeakPolarHBondContact O-CA 3.36Å; V628-I715 PolarHBondContact O-N 2.82Å
629G82Confident81Confident21 Ų2159.1 Ų59.122%0.21629%0.289CS..EExtended strand (participates in β ladder)trans-77.8118.1169.700000111E622 I715E622-G629 WeakPolarHBondContact OE1-CA 3.43Å; E622-G629 PolarHBondContact OE1-N 3.34Å; G629-I715 WeakPolarHBondContact CA-O 3.46Å
630I84.4Confident81.3Confident4 Ų458.4 Ų58.42%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-101.9109.7174-54.2-179.2000108.1L635 K704 I705 L708 F714 I715 L716 D717I630-L635 HydrophobicContact CG2-CD1 3.7Å; I630-L635 HydrophobicContact CG2-CG 4.3Å; I630-K704 HydrophobicContact CD1-CG 4.44Å; I630-I705 HydrophobicContact CD1-CG1 3.66Å; I630-L708 HydrophobicContact CD1-CD1 4.11Å; I630-F714 HydrophobicContact CD1-CB 3.84Å; I630-F714 HydrophobicContact CD1-CD2 4.37Å; I630-F714 HydrophobicContact CD1-CG 4.25Å; I630-F714 HydrophobicContact CG1-CB 4.37Å; I630-I715 PolarHBondContact N-O 3.39Å; I630-L716 HydrophobicContact CB-CD2 4.12Å; I630-L716 HydrophobicContact CD1-CD2 4.42Å; I630-L716 HydrophobicContact CG2-CD2 4.41Å; I630-D717 PolarHBondContact O-N 3.32Å
631N85.3Confident81.6Confident38 Ų3860.2 Ų60.220%0.20329%0.288CS..  trans-105.7122.7173.3178.6-15.8000108.9Y633 T634 L635 D717N631-Y633 PolarHBondContact O-N 3.17Å; N631-Y633 WeakPolarHBondContact OD1-CB 3.41Å; N631-Y633 WeakPolarHBondContact OD1-CD2 3.48Å; N631-Y633 PolarHBondContact OD1-N 3.05Å; N631-T634 PolarHBondContact O-N 2.86Å; N631-T634 PolarHBondContact O-OG1 3.23Å; N631-L635 PolarHBondContact O-N 3.5Å; N631-D717 HydrophobicContact CB-CB 4.46Å
632P82.2Confident81.8Confident19 Ų1960.2 Ų60.212%0.12329%0.288CS..Hα-helixtrans-62-28.9-177.724.6-34.1000113.3L635 I636 F719P632-L635 PolarHBondContact O-N 3.35Å; P632-I636 WeakPolarHBondContact O-CG1 3.38Å; P632-I636 PolarHBondContact O-N 2.93Å; P632-F719 HydrophobicContact CG-CB 4.41Å; P632-F719 HydrophobicContact CG-CD2 4.4Å
633Y82.5Confident81.9Confident155 Ų15558.8 Ų58.861%0.60828%0.28SS*.Hα-helixtrans-66.5-41.4178.6-67.1-75.2000112.5N631 L635 I636 E637N631-Y633 PolarHBondContact O-N 3.17Å; N631-Y633 WeakPolarHBondContact OD1-CB 3.41Å; N631-Y633 WeakPolarHBondContact OD1-CD2 3.48Å; N631-Y633 PolarHBondContact OD1-N 3.05Å; Y633-L635 VanDerWaalsContact C-N 3.29Å; Y633-L635 PolarHBondContact O-N 2.93Å; Y633-I636 PolarHBondContact O-N 3.46Å; Y633-E637 PolarHBondContact O-N 3.46Å; Y633-E637 VanDerWaalsContact O-N 3.16Å
634T84.2Confident82.1Confident65 Ų6557.8 Ų57.840%0.39928%0.277SS..Hα-helixtrans-70.2-28.5175.855.20000111.6N631 E638N631-T634 PolarHBondContact O-N 2.86Å; N631-T634 PolarHBondContact O-OG1 3.23Å; T634-E638 VanDerWaalsContact O-CB 3.25Å; T634-E638 WeakPolarHBondContact O-CB 3.2Å; T634-E638 WeakPolarHBondContact O-CG 3.19Å; T634-E638 PolarHBondContact O-N 3.21Å
635L83.8Confident82.4Confident8 Ų858.6 Ų58.64%0.04228%0.281CS..Hα-helixtrans-67.9-37.6172.3-62.9-170.7000113I630 N631 P632 Y633 E638 A639 V701 K704I630-L635 HydrophobicContact CG2-CD1 3.7Å; I630-L635 HydrophobicContact CG2-CG 4.3Å; N631-L635 PolarHBondContact O-N 3.5Å; P632-L635 PolarHBondContact O-N 3.35Å; Y633-L635 VanDerWaalsContact C-N 3.29Å; Y633-L635 PolarHBondContact O-N 2.93Å; L635-E638 PolarHBondContact O-N 2.6Å; L635-A639 VanDerWaalsContact O-CB 3.26Å; L635-A639 WeakPolarHBondContact O-CB 3.24Å; L635-A639 PolarHBondContact O-N 3.3Å; L635-V701 HydrophobicContact CD1-CG2 4.02Å; L635-K704 HydrophobicContact CD1-CB 3.86Å; L635-K704 HydrophobicContact CD1-CG 4.3Å; L635-K704 HydrophobicContact CD2-CB 4.01Å; L635-K704 HydrophobicContact CD2-CD 3.52Å; L635-K704 HydrophobicContact CD2-CG 3.68Å
636I85.1Confident82.8Confident24 Ų2463.3 Ų63.312%0.12330%0.299CS..Hα-helixtrans-63.5-48.9174.3-66.4159.6000109.8P632 Y633 E638 A639 L640 L682 I692 L697 L700P632-I636 WeakPolarHBondContact O-CG1 3.38Å; P632-I636 PolarHBondContact O-N 2.93Å; Y633-I636 PolarHBondContact O-N 3.46Å; I636-E638 PolarHBondContact O-N 2.94Å; I636-A639 PolarHBondContact O-N 2.95Å; I636-L640 HydrophobicContact CG2-CD1 3.86Å; I636-L640 HydrophobicContact CG2-CG 4.41Å; I636-L640 WeakPolarHBondContact O-CB 3.39Å; I636-L640 VanDerWaalsContact O-CG 3.31Å; I636-L640 WeakPolarHBondContact O-CG 3.41Å; I636-L640 PolarHBondContact O-N 3.15Å; I636-L682 HydrophobicContact CB-CD1 4.41Å; I636-L682 HydrophobicContact CG1-CD1 4.32Å; I636-L682 HydrophobicContact CG1-CD2 4.33Å; I636-L682 HydrophobicContact CG2-CD1 4.16Å; I636-L682 HydrophobicContact CG2-CD2 4.47Å; I636-I692 HydrophobicContact CD1-CD1 3.77Å; I636-I692 HydrophobicContact CG1-CD1 4.4Å; I636-L697 HydrophobicContact CD1-CD2 3.96Å; I636-L697 HydrophobicContact CG1-CD2 4.47Å; I636-L700 HydrophobicContact CG1-CD1 4.48Å
637E85.6Confident82.5Confident81 Ų8157.6 Ų57.638%0.37928%0.282SS..Hα-helixtrans-58.8-44.7174.4-78.7-166.6-135.400112.6Y633 A639 K641Y633-E637 PolarHBondContact O-N 3.46Å; Y633-E637 VanDerWaalsContact O-N 3.16Å; E637-A639 VanDerWaalsContact C-N 3.33Å; E637-A639 PolarHBondContact O-N 3.23Å; E637-K641 WeakPolarHBondContact O-CB 3.14Å; E637-K641 WeakPolarHBondContact O-CD 3.46Å; E637-K641 VanDerWaalsContact O-CG 3.23Å; E637-K641 WeakPolarHBondContact O-CG 3.05Å; E637-K641 PolarHBondContact O-N 3.24Å; E637-K641 IonicContact OE2-NZ 3.17Å; E637-K641 PolarHBondContact OE2-NZ 3.25Å
638E85.6Confident81.9Confident60 Ų6060 Ų6028%0.2830%0.296SS..Hα-helixtrans-61.8-37.6177-89.7-168.7-124.100113T634 L635 I636 A642 K675 K704T634-E638 VanDerWaalsContact O-CB 3.25Å; T634-E638 WeakPolarHBondContact O-CB 3.2Å; T634-E638 WeakPolarHBondContact O-CG 3.19Å; T634-E638 PolarHBondContact O-N 3.21Å; L635-E638 PolarHBondContact O-N 2.6Å; I636-E638 PolarHBondContact O-N 2.94Å; E638-A642 WeakPolarHBondContact O-CB 3.34Å; E638-A642 PolarHBondContact O-N 2.95Å; E638-K675 WeakPolarHBondContact O-CE 3.39Å; E638-K675 WeakPolarHBondContact OE2-CE 3.35Å; E638-K675 IonicContact OE2-NZ 3.2Å; E638-K675 PolarHBondContact OE2-NZ 3.35Å; E638-K704 IonicContact OE1-NZ 3.84Å; E638-K704 PolarHBondContact OE1-NZ 3.29Å; E638-K704 IonicContact OE2-NZ 3.24Å; E638-K704 PolarHBondContact OE2-NZ 3.25Å
639A84.8Confident80.8Confident0 Ų062.9 Ų62.90%031%0.31CS..Hα-helixtrans-78.5-37.4-179.100000112.1L635 I636 E637 A642 Y643 K675 G679 L682 L700L635-A639 VanDerWaalsContact O-CB 3.26Å; L635-A639 WeakPolarHBondContact O-CB 3.24Å; L635-A639 PolarHBondContact O-N 3.3Å; I636-A639 PolarHBondContact O-N 2.95Å; E637-A639 VanDerWaalsContact C-N 3.33Å; E637-A639 PolarHBondContact O-N 3.23Å; A639-A642 WeakPolarHBondContact O-CB 3.48Å; A639-A642 PolarHBondContact O-N 2.81Å; A639-Y643 PolarHBondContact O-N 3.37Å; A639-K675 HydrophobicContact CB-CG 4.41Å; A639-G679 WeakPolarHBondContact O-CA 3.34Å; A639-L682 HydrophobicContact CB-CD1 3.92Å; A639-L700 HydrophobicContact CB-CD2 3.69Å
640L86.1Confident78.8Confident36 Ų3670 Ų7019%0.18834%0.337CS..Hα-helixtrans-63.9-44.8171.8-69.4171.9000110.9I636 A642 Y643 E644 L682 W683 L686I636-L640 HydrophobicContact CG2-CD1 3.86Å; I636-L640 HydrophobicContact CG2-CG 4.41Å; I636-L640 WeakPolarHBondContact O-CB 3.39Å; I636-L640 VanDerWaalsContact O-CG 3.31Å; I636-L640 WeakPolarHBondContact O-CG 3.41Å; I636-L640 PolarHBondContact O-N 3.15Å; L640-A642 VanDerWaalsContact C-N 3.33Å; L640-A642 PolarHBondContact O-N 3.44Å; L640-Y643 WeakPolarHBondContact O-CB 3.48Å; L640-Y643 PolarHBondContact O-N 2.89Å; L640-Y643 VanDerWaalsContact O-N 3.12Å; L640-E644 WeakPolarHBondContact O-CG 3.36Å; L640-E644 PolarHBondContact O-N 2.9Å; L640-L682 HydrophobicContact CD2-CB 4.13Å; L640-W683 HydrophobicContact CD2-CB 3.93Å; L640-L686 HydrophobicContact CD1-CD1 4.04Å; L640-L686 HydrophobicContact CD2-CD1 4.42Å
641K84.9Confident76.5Confident98 Ų9875.9 Ų75.943%0.42638%0.377SS..Hα-helixtrans-62.5-37.9174.3-71163.8-168.9162.20112.2E637 Y643 E644 N645E637-K641 WeakPolarHBondContact O-CB 3.14Å; E637-K641 WeakPolarHBondContact O-CD 3.46Å; E637-K641 VanDerWaalsContact O-CG 3.23Å; E637-K641 WeakPolarHBondContact O-CG 3.05Å; E637-K641 PolarHBondContact O-N 3.24Å; E637-K641 IonicContact OE2-NZ 3.17Å; E637-K641 PolarHBondContact OE2-NZ 3.25Å; K641-Y643 VanDerWaalsContact C-N 3.32Å; K641-Y643 PolarHBondContact O-N 3.22Å; K641-E644 PolarHBondContact O-N 3.33Å; K641-N645 VanDerWaalsContact O-CB 3.25Å; K641-N645 WeakPolarHBondContact O-CB 3.26Å; K641-N645 PolarHBondContact O-N 2.85Å; K641-N645 PolarHBondContact O-ND2 3.13Å
642A84.2Confident74Confident2 Ų279.7 Ų79.72%0.01741%0.407CS..Hα-helixtrans-61.7-38.2172.900000112.7E638 A639 L640 K646 E647 K675 A676E638-A642 WeakPolarHBondContact O-CB 3.34Å; E638-A642 PolarHBondContact O-N 2.95Å; A639-A642 WeakPolarHBondContact O-CB 3.48Å; A639-A642 PolarHBondContact O-N 2.81Å; L640-A642 VanDerWaalsContact C-N 3.33Å; L640-A642 PolarHBondContact O-N 3.44Å; A642-K646 PolarHBondContact O-N 2.8Å; A642-K646 VanDerWaalsContact O-N 3.17Å; A642-E647 HydrophobicContact CB-CG 4.39Å; A642-E647 WeakPolarHBondContact CB-OE2 3.37Å; A642-E647 PolarHBondContact O-N 3.46Å; A642-K675 HydrophobicContact CB-CD 4.06Å; A642-K675 HydrophobicContact CB-CG 4.21Å; A642-A676 HydrophobicContact CB-CB 4.21Å
643Y83.9Confident71.6Confident45 Ų4586 Ų8618%0.17644%0.44CS..Hα-helixtrans-71.8-45.2175.6-178.7-115.4000112.7A639 L640 K641 N645 K646 L672 E680 W683A639-Y643 PolarHBondContact O-N 3.37Å; L640-Y643 WeakPolarHBondContact O-CB 3.48Å; L640-Y643 PolarHBondContact O-N 2.89Å; L640-Y643 VanDerWaalsContact O-N 3.12Å; K641-Y643 VanDerWaalsContact C-N 3.32Å; K641-Y643 PolarHBondContact O-N 3.22Å; Y643-N645 PolarHBondContact O-N 2.72Å; Y643-K646 WeakPolarHBondContact O-CA 3.42Å; Y643-K646 PolarHBondContact O-N 3.45Å; Y643-L672 HydrophobicContact CD2-CD1 4.08Å; Y643-L672 HydrophobicContact CE2-CD1 3.95Å; Y643-E680 HydrophobicContact CD2-CB 3.58Å; Y643-E680 HydrophobicContact CD2-CG 4.28Å; Y643-E680 HydrophobicContact CE2-CB 3.36Å; Y643-E680 HydrophobicContact CE2-CG 3.54Å; Y643-E680 WeakPolarHBondContact CE2-OE1 3.33Å; Y643-E680 HydrophobicContact CG-CB 4.34Å; Y643-E680 PolarHBondContact OH-OE1 2.87Å; Y643-W683 HydrophobicContact CD1-CB 4.03Å; Y643-W683 HydrophobicContact CD1-CG 4.09Å; Y643-W683 HydrophobicContact CE1-CB 4.01Å; Y643-W683 AromaticContact CE1-CD2 3.87Å; Y643-W683 HydrophobicContact CE1-CD2 3.87Å; Y643-W683 HydrophobicContact CE1-CE3 4.01Å; Y643-W683 AromaticContact CE1-CG 3.89Å; Y643-W683 HydrophobicContact CE1-CG 3.89Å
644E82.6Confident69Low133 Ų13384.8 Ų84.862%0.62145%0.449SS*.Hα-helixtrans-60.3-43176.4-72.7177.2159.600112L640 K641 K646L640-E644 WeakPolarHBondContact O-CG 3.36Å; L640-E644 PolarHBondContact O-N 2.9Å; K641-E644 PolarHBondContact O-N 3.33Å; E644-K646 PolarHBondContact O-N 3.21Å
645N80Confident66.5Low123 Ų12387.7 Ų87.766%0.65847%0.469SS*.THydrogen-bonded Turntrans-72.6-11174.1-68.1-18.6000113.6K641 Y643 E647K641-N645 VanDerWaalsContact O-CB 3.25Å; K641-N645 WeakPolarHBondContact O-CB 3.26Å; K641-N645 PolarHBondContact O-N 2.85Å; K641-N645 PolarHBondContact O-ND2 3.13Å; Y643-N645 PolarHBondContact O-N 2.72Å; N645-E647 HydrophobicContact CB-CG 4.38Å; N645-E647 PolarHBondContact O-N 2.79Å
646K78.3Confident64.1Low152 Ų15294.2 Ų94.266%0.66151%0.508SS*.THydrogen-bonded Turntrans52.248.4-172.7-57.4-179.8-178.1178.30113.2A642 Y643 E644 T648 L672A642-K646 PolarHBondContact O-N 2.8Å; A642-K646 VanDerWaalsContact O-N 3.17Å; Y643-K646 WeakPolarHBondContact O-CA 3.42Å; Y643-K646 PolarHBondContact O-N 3.45Å; E644-K646 PolarHBondContact O-N 3.21Å; K646-T648 PolarHBondContact O-N 3.04Å; K646-T648 VanDerWaalsContact O-N 3.1Å; K646-L672 HydrophobicContact CB-CD2 4.17Å
647E68.5Low61.4Low87 Ų87101.5 Ų101.541%0.40754%0.542SS..  trans-55.2117.6177.7-73.4-171.6135.900110.9A642 N645 S673A642-E647 HydrophobicContact CB-CG 4.39Å; A642-E647 WeakPolarHBondContact CB-OE2 3.37Å; A642-E647 PolarHBondContact O-N 3.46Å; N645-E647 HydrophobicContact CB-CG 4.38Å; N645-E647 PolarHBondContact O-N 2.79Å; E647-S673 VanDerWaalsContact O-CB 3.32Å; E647-S673 WeakPolarHBondContact O-CB 3.36Å; E647-S673 PolarHBondContact O-N 2.88Å
648T64.1Low58.8Low63 Ų63102.9 Ų102.939%0.38756%0.561SS.*BIsolated β-bridgetrans-102.7150.4170.448.50000109.9K646 E650 V670K646-T648 PolarHBondContact O-N 3.04Å; K646-T648 VanDerWaalsContact O-N 3.1Å; T648-E650 PolarHBondContact O-N 3.38Å; T648-V670 HydrophobicContact CG2-CG1 3.39Å
649D58.6Low56.2Low107 Ų107105.3 Ų105.357%0.57258%0.584SS**SBendtrans-75.551.8-176-66.1-40.9000113.8S673D649-S673 WeakPolarHBondContact OD1-CA 3.49Å; D649-S673 WeakPolarHBondContact OD1-CB 3.26Å; D649-S673 PolarHBondContact OD1-OG 3.39Å; D649-S673 WeakPolarHBondContact OD2-CA 3.43Å
650E40.1Very low53.5Low169 Ų169111 Ų11179%0.7962%0.62SS**  trans-128.190.5176.6-71.6-165.4169.500112.2T648T648-E650 PolarHBondContact O-N 3.38Å
651C35.4Very low50.9Low128 Ų128117 Ų11787%0.86565%0.65SS**  trans-154.765.1167.1-105.60000113.1
652S33.8Very low48.7Very low118 Ų118117.9 Ų117.983%0.82567%0.667SS**  trans-105106.5160.549.50000109.7T654S652-T654 PolarHBondContact O-N 3.24Å
653N30.8Very low46.1Very low152 Ų152121.1 Ų121.181%0.81370%0.7SS**  trans-72.8113.3-171.8-80.7-25.9000113.9
654T28.4Very low43.5Very low129 Ų129126.1 Ų126.179%0.79174%0.735SS**  trans-143.2113.914350.60000110.3S652S652-T654 PolarHBondContact O-N 3.24Å
655P32.3Very low41Very low126 Ų126128.9 Ų128.982%0.81875%0.748SS**  trans-89.4126.6177.833-31.6000112.3
656V33.5Very low38.5Very low145 Ų145129.5 Ų129.588%0.87976%0.757SS**  trans-143.1149.2162-175.20000108.2
657E28.7Very low36.4Very low177 Ų177127.9 Ų127.983%0.82777%0.765SS**  trans-95.3147.1-161.3-58.7170.4115.800115.4
658S29.6Very low34.9Very low110 Ų110129 Ų12977%0.76978%0.782SS**  trans63.6121.3146.968.60000121.4
659S31.5Very low33.8Very low112 Ų112131.8 Ų131.878%0.78380%0.799SS**  174.1141.8102.845.90000114.9
660T27.8Very low33.5Very low120 Ų120132.1 Ų132.174%0.73681%0.805SS**  trans4.5145.9149.749.30000120.8
661L31.8Very low34.4Very low160 Ų160128.5 Ų128.584%0.83879%0.794SS**  cis-160.3177.611.1-103.8159.8000109.1
662P39Very low36.1Very low118 Ų118123.7 Ų123.777%0.76676%0.76SS**  trans-105166.2-155.440.3-39.2000117.7
663G29.6Very low38.2Very low69 Ų69119 Ų11971%0.71173%0.727SS**  trans131.6102.513500000117.8
664T28.9Very low40.4Very low150 Ų150113.7 Ų113.792%0.9270%0.704SS**  trans-166.1153.1140.11.10000110.9
665E29.5Very low42.8Very low191 Ų191110.8 Ų110.889%0.89368%0.68SS**  trans-90.9113.5-171.3-59.8172.9151.300112.1
666T29.3Very low45.2Very low137 Ų137104.8 Ų104.884%0.8464%0.641SS**  trans-148.6155155.242.10000110.6S668T666-S668 PolarHBondContact O-N 2.87Å
667S33.7Very low47.7Very low118 Ų118102.5 Ų102.583%0.82562%0.62SS**  trans-78.597.7-173.154.40000113.2T669S667-T669 PolarHBondContact O-N 2.96Å
668S36.1Very low50.3Low110 Ų11095.4 Ų95.477%0.76959%0.587SS**  trans-81.110917249.10000111.8T666 V670T666-S668 PolarHBondContact O-N 2.87Å; S668-V670 PolarHBondContact O-N 3.19Å
669T41Very low53Low121 Ų12190.1 Ų90.174%0.74255%0.551SS**  trans-74.7109.8174.550.50000110.8S667 T671S667-T669 PolarHBondContact O-N 2.96Å; T669-T671 PolarHBondContact O-N 3.25Å
670V53.6Low55.6Low115 Ų11588.1 Ų88.170%0.69753%0.529SS*.  trans-66.2110.9174.3178.40000109.7T648 S668 L672T648-V670 HydrophobicContact CG2-CG1 3.39Å; S668-V670 PolarHBondContact O-N 3.19Å; V670-L672 PolarHBondContact O-N 3.1Å
671T58.6Low58.3Low92 Ų9284.7 Ų84.756%0.56451%0.509SS*.  trans-83.5101.1179.550.10000111.2T669T669-T671 PolarHBondContact O-N 3.25Å
672L69.7Low60.9Low27 Ų2777 Ų7714%0.14147%0.47CS..BIsolated β-bridgetrans-51.1147.2168.9-68.7172.1000111.8Y643 K646 V670 A676 K677Y643-L672 HydrophobicContact CD2-CD1 4.08Å; Y643-L672 HydrophobicContact CE2-CD1 3.95Å; K646-L672 HydrophobicContact CB-CD2 4.17Å; V670-L672 PolarHBondContact O-N 3.1Å; L672-A676 HydrophobicContact CB-CB 4.09Å; L672-A676 HydrophobicContact CD2-CB 4.37Å; L672-K677 HydrophobicContact CB-CG 4.01Å; L672-K677 VanDerWaalsContact O-CE 3.24Å; L672-K677 WeakPolarHBondContact O-CE 3.34Å; L672-K677 PolarHBondContact O-NZ 3.01Å
673S78.6Confident63Low20 Ų2075.9 Ų75.914%0.1445%0.45CS..  trans-57.4153.3175.5-173.80000112.3E647 D649 K675 A676 K677E647-S673 VanDerWaalsContact O-CB 3.32Å; E647-S673 WeakPolarHBondContact O-CB 3.36Å; E647-S673 PolarHBondContact O-N 2.88Å; D649-S673 WeakPolarHBondContact OD1-CA 3.49Å; D649-S673 WeakPolarHBondContact OD1-CB 3.26Å; D649-S673 PolarHBondContact OD1-OG 3.39Å; D649-S673 WeakPolarHBondContact OD2-CA 3.43Å; S673-K675 PolarHBondContact O-N 3.13Å; S673-K675 VanDerWaalsContact O-N 3.16Å; S673-A676 CarbonylContact O-C 3.52Å; S673-A676 WeakPolarHBondContact O-CA 3.42Å; S673-A676 PolarHBondContact O-N 3.26Å; S673-K677 WeakPolarHBondContact O-CG 3.41Å; S673-K677 PolarHBondContact O-N 3.07Å
674A76.4Confident65.7Low40 Ų4076.1 Ų76.133%0.33144%0.435SS..Hα-helixtrans-51.1-40.7177.300000112.5K677 L678A674-K677 PolarHBondContact O-N 3.22Å; A674-L678 PolarHBondContact O-N 3.07Å
675K80.6Confident68.4Low68 Ų6871.3 Ų71.330%0.29640%0.402SS..Hα-helixtrans-65.3-42.1174.4-170.6-171.5-172.9-172.40112.8E638 A639 A642 S673 L678 G679E638-K675 WeakPolarHBondContact O-CE 3.39Å; E638-K675 WeakPolarHBondContact OE2-CE 3.35Å; E638-K675 IonicContact OE2-NZ 3.2Å; E638-K675 PolarHBondContact OE2-NZ 3.35Å; A639-K675 HydrophobicContact CB-CG 4.41Å; A642-K675 HydrophobicContact CB-CD 4.06Å; A642-K675 HydrophobicContact CB-CG 4.21Å; S673-K675 PolarHBondContact O-N 3.13Å; S673-K675 VanDerWaalsContact O-N 3.16Å; K675-L678 PolarHBondContact O-N 3.49Å; K675-G679 PolarHBondContact O-N 3.26Å
676A82.4Confident71.1Confident0 Ų065.9 Ų65.90%038%0.379CS..Hα-helixtrans-72-28.5178.100000112.8A642 L672 S673 G679 E680A642-A676 HydrophobicContact CB-CB 4.21Å; L672-A676 HydrophobicContact CB-CB 4.09Å; L672-A676 HydrophobicContact CD2-CB 4.37Å; S673-A676 CarbonylContact O-C 3.52Å; S673-A676 WeakPolarHBondContact O-CA 3.42Å; S673-A676 PolarHBondContact O-N 3.26Å; A676-G679 CarbonylContact O-C 3.57Å; A676-G679 PolarHBondContact O-N 3.03Å; A676-E680 PolarHBondContact O-N 2.89Å
677K84.5Confident73.6Confident98 Ų9866.1 Ų66.143%0.42637%0.368SS..Hα-helixtrans-68.6-38.7170.5-68.2-178.9178.51030112.5L672 S673 A674 G679 E680 S681L672-K677 HydrophobicContact CB-CG 4.01Å; L672-K677 VanDerWaalsContact O-CE 3.24Å; L672-K677 WeakPolarHBondContact O-CE 3.34Å; L672-K677 PolarHBondContact O-NZ 3.01Å; S673-K677 WeakPolarHBondContact O-CG 3.41Å; S673-K677 PolarHBondContact O-N 3.07Å; A674-K677 PolarHBondContact O-N 3.22Å; K677-G679 VanDerWaalsContact C-N 3.34Å; K677-E680 PolarHBondContact O-N 3.03Å; K677-S681 PolarHBondContact O-N 3.27Å; K677-S681 VanDerWaalsContact O-N 3.09Å; K677-S681 PolarHBondContact O-OG 2.73Å
678L84.5Confident76Confident27 Ų2765.3 Ų65.314%0.14136%0.358CS..Hα-helixtrans-68.7-36.3169.9-67173.5000110.9A674 K675 S681 L682 L696 D699 L700 E703A674-L678 PolarHBondContact O-N 3.07Å; K675-L678 PolarHBondContact O-N 3.49Å; L678-S681 PolarHBondContact O-N 2.84Å; L678-L682 WeakPolarHBondContact O-CB 3.45Å; L678-L682 WeakPolarHBondContact O-CG 3.46Å; L678-L682 PolarHBondContact O-N 2.74Å; L678-L696 HydrophobicContact CD2-CD2 4.19Å; L678-D699 HydrophobicContact CD1-CB 4.47Å; L678-D699 HydrophobicContact CD2-CB 4.26Å; L678-L700 HydrophobicContact CB-CD2 3.66Å; L678-L700 HydrophobicContact CB-CG 4.22Å; L678-L700 HydrophobicContact CD1-CD2 4.04Å; L678-L700 HydrophobicContact CD1-CG 4.21Å; L678-L700 HydrophobicContact CG-CD2 4.47Å; L678-E703 HydrophobicContact CD1-CB 4.43Å; L678-E703 HydrophobicContact CD1-CG 4.17Å
679G85.7Confident78.1Confident0 Ų063.4 Ų63.40%036%0.356CS..Hα-helixtrans-60.3-41.9170.600000114A639 K675 A676 K677 L682 W683A639-G679 WeakPolarHBondContact O-CA 3.34Å; K675-G679 PolarHBondContact O-N 3.26Å; A676-G679 CarbonylContact O-C 3.57Å; A676-G679 PolarHBondContact O-N 3.03Å; K677-G679 VanDerWaalsContact C-N 3.34Å; G679-L682 WeakPolarHBondContact O-CB 3.39Å; G679-L682 PolarHBondContact O-N 3.42Å; G679-W683 WeakPolarHBondContact O-CB 3.43Å; G679-W683 PolarHBondContact O-N 2.85Å
680E86.4Confident79.8Confident70 Ų7064.2 Ų64.233%0.32735%0.349SS..Hα-helixtrans-61.7-44.7172.4-178.6157.6-122.300111.6Y643 A676 K677 W683 N684Y643-E680 HydrophobicContact CD2-CB 3.58Å; Y643-E680 HydrophobicContact CD2-CG 4.28Å; Y643-E680 HydrophobicContact CE2-CB 3.36Å; Y643-E680 HydrophobicContact CE2-CG 3.54Å; Y643-E680 WeakPolarHBondContact CE2-OE1 3.33Å; Y643-E680 HydrophobicContact CG-CB 4.34Å; Y643-E680 PolarHBondContact OH-OE1 2.87Å; A676-E680 PolarHBondContact O-N 2.89Å; K677-E680 PolarHBondContact O-N 3.03Å; E680-W683 PolarHBondContact O-N 3.16Å; E680-N684 WeakPolarHBondContact O-CB 3.35Å; E680-N684 PolarHBondContact O-N 2.84Å; E680-N684 PolarHBondContact O-ND2 2.88Å
681S84.8Confident80.9Confident47 Ų4767.8 Ų67.833%0.32936%0.358SS..Hα-helixtrans-63.1-46.4178.5-55.80000111.1K677 L678 N684 E685K677-S681 PolarHBondContact O-N 3.27Å; K677-S681 VanDerWaalsContact O-N 3.09Å; K677-S681 PolarHBondContact O-OG 2.73Å; L678-S681 PolarHBondContact O-N 2.84Å; S681-N684 PolarHBondContact O-N 2.94Å; S681-E685 PolarHBondContact O-N 3.21Å
682L85.9Confident82.1Confident0 Ų065.2 Ų65.20%034%0.34CS..Hα-helixtrans-55.7-50.2171.4-81.4170.9000112.2I636 A639 L640 L678 G679 N684 E685 L686 I692 L700I636-L682 HydrophobicContact CB-CD1 4.41Å; I636-L682 HydrophobicContact CG1-CD1 4.32Å; I636-L682 HydrophobicContact CG1-CD2 4.33Å; I636-L682 HydrophobicContact CG2-CD1 4.16Å; I636-L682 HydrophobicContact CG2-CD2 4.47Å; A639-L682 HydrophobicContact CB-CD1 3.92Å; L640-L682 HydrophobicContact CD2-CB 4.13Å; L678-L682 WeakPolarHBondContact O-CB 3.45Å; L678-L682 WeakPolarHBondContact O-CG 3.46Å; L678-L682 PolarHBondContact O-N 2.74Å; G679-L682 WeakPolarHBondContact O-CB 3.39Å; G679-L682 PolarHBondContact O-N 3.42Å; L682-N684 VanDerWaalsContact C-N 3.27Å; L682-N684 PolarHBondContact O-N 3.17Å; L682-E685 PolarHBondContact O-N 2.73Å; L682-L686 WeakPolarHBondContact O-CB 3.36Å; L682-L686 VanDerWaalsContact O-CG 3.29Å; L682-L686 WeakPolarHBondContact O-CG 3.29Å; L682-L686 PolarHBondContact O-N 2.83Å; L682-I692 HydrophobicContact CD2-CB 4.46Å; L682-I692 HydrophobicContact CD2-CD1 3.74Å; L682-I692 HydrophobicContact CD2-CG1 4.01Å; L682-I692 HydrophobicContact CD2-CG2 3.58Å; L682-L700 HydrophobicContact CD1-CD1 3.62Å; L682-L700 HydrophobicContact CD1-CD2 4.15Å; L682-L700 HydrophobicContact CD2-CD1 4.03Å; L682-L700 HydrophobicContact CG-CD1 3.98Å
683W84.4Confident83Confident93 Ų9365.7 Ų65.735%0.35235%0.346SS..Hα-helixtrans-61.5-38.7-177.4-17186.1000111.3L640 Y643 G679 E680 K687L640-W683 HydrophobicContact CD2-CB 3.93Å; Y643-W683 HydrophobicContact CD1-CB 4.03Å; Y643-W683 HydrophobicContact CD1-CG 4.09Å; Y643-W683 HydrophobicContact CE1-CB 4.01Å; Y643-W683 AromaticContact CE1-CD2 3.87Å; Y643-W683 HydrophobicContact CE1-CD2 3.87Å; Y643-W683 HydrophobicContact CE1-CE3 4.01Å; Y643-W683 AromaticContact CE1-CG 3.89Å; Y643-W683 HydrophobicContact CE1-CG 3.89Å; G679-W683 WeakPolarHBondContact O-CB 3.43Å; G679-W683 PolarHBondContact O-N 2.85Å; E680-W683 PolarHBondContact O-N 3.16Å; W683-K687 HydrophobicContact CD2-CD 4.46Å; W683-K687 HydrophobicContact CE3-CD 3.98Å; W683-K687 HydrophobicContact CH2-CD 3.72Å; W683-K687 HydrophobicContact CZ2-CD 4.14Å; W683-K687 HydrophobicContact CZ3-CD 3.61Å; W683-K687 WeakPolarHBondContact O-CB 3.48Å; W683-K687 PolarHBondContact O-N 3.45Å
684N85.1Confident83.3Confident75 Ų7566.3 Ų66.340%0.40135%0.348SS..Hα-helixtrans-67.5-42.1175.2-74.1-51.2000113E680 S681 L682 V688E680-N684 WeakPolarHBondContact O-CB 3.35Å; E680-N684 PolarHBondContact O-N 2.84Å; E680-N684 PolarHBondContact O-ND2 2.88Å; S681-N684 PolarHBondContact O-N 2.94Å; L682-N684 VanDerWaalsContact C-N 3.27Å; L682-N684 PolarHBondContact O-N 3.17Å; N684-V688 VanDerWaalsContact O-CG2 3.3Å; N684-V688 WeakPolarHBondContact O-CG2 3.33Å; N684-V688 PolarHBondContact O-N 2.88Å
685E86.5Confident83.7Confident49 Ų4968.3 Ų68.323%0.22935%0.353CS..Hα-helixtrans-65.3-46.2174.8-70.9-164.8149.600112.2S681 L682 K687 V688 G689 K690 I692 S693 L696S681-E685 PolarHBondContact O-N 3.21Å; L682-E685 PolarHBondContact O-N 2.73Å; E685-K687 PolarHBondContact O-N 3.27Å; E685-V688 PolarHBondContact O-N 2.89Å; E685-G689 PolarHBondContact O-N 3.19Å; E685-K690 PolarHBondContact O-N 3.34Å; E685-I692 WeakPolarHBondContact OE2-CA 3.48Å; E685-S693 PolarHBondContact OE2-N 3.35Å; E685-L696 HydrophobicContact CG-CD1 4.47Å; E685-L696 WeakPolarHBondContact OE2-CD1 3.45Å
686L85Confident83.9Confident77 Ų7766.7 Ų66.740%0.40335%0.347SS..Hα-helixtrans-64.5-39.8180-70.9170.6000112.3L640 L682 V688 G689 I692L640-L686 HydrophobicContact CD1-CD1 4.04Å; L640-L686 HydrophobicContact CD2-CD1 4.42Å; L682-L686 WeakPolarHBondContact O-CB 3.36Å; L682-L686 VanDerWaalsContact O-CG 3.29Å; L682-L686 WeakPolarHBondContact O-CG 3.29Å; L682-L686 PolarHBondContact O-N 2.83Å; L686-V688 VanDerWaalsContact C-N 3.25Å; L686-V688 PolarHBondContact O-N 3.06Å; L686-G689 WeakPolarHBondContact O-CA 3.45Å; L686-G689 PolarHBondContact O-N 3.02Å; L686-I692 HydrophobicContact CD2-CD1 4.21Å; L686-I692 HydrophobicContact CD2-CG1 4.05Å; L686-I692 HydrophobicContact CG-CG1 4.42Å
687K82.6Confident84.2Confident142 Ų14267.9 Ų67.962%0.61735%0.354SS*.Hα-helixtrans-66.3-25.3176.1-178.4178.7178.8-174.10113.4W683 E685 G689W683-K687 HydrophobicContact CD2-CD 4.46Å; W683-K687 HydrophobicContact CE3-CD 3.98Å; W683-K687 HydrophobicContact CH2-CD 3.72Å; W683-K687 HydrophobicContact CZ2-CD 4.14Å; W683-K687 HydrophobicContact CZ3-CD 3.61Å; W683-K687 WeakPolarHBondContact O-CB 3.48Å; W683-K687 PolarHBondContact O-N 3.45Å; E685-K687 PolarHBondContact O-N 3.27Å; K687-G689 VanDerWaalsContact C-N 3.31Å
688V84.8Confident84.3Confident101 Ų10163.4 Ų63.461%0.61233%0.334SS*.THydrogen-bonded Turntrans-85-7.8172.1177.10000111.6N684 E685 L686 K690N684-V688 VanDerWaalsContact O-CG2 3.3Å; N684-V688 WeakPolarHBondContact O-CG2 3.33Å; N684-V688 PolarHBondContact O-N 2.88Å; E685-V688 PolarHBondContact O-N 2.89Å; L686-V688 VanDerWaalsContact C-N 3.25Å; L686-V688 PolarHBondContact O-N 3.06Å; V688-K690 HydrophobicContact CG1-CD 4.12Å; V688-K690 HydrophobicContact CG1-CG 4.13Å
689G79.7Confident84.3Confident70 Ų7064 Ų6472%0.72234%0.338SS*.THydrogen-bonded Turntrans74.925.1179.400000113.9E685 L686 K687E685-G689 PolarHBondContact O-N 3.19Å; L686-G689 WeakPolarHBondContact O-CA 3.45Å; L686-G689 PolarHBondContact O-N 3.02Å; K687-G689 VanDerWaalsContact C-N 3.31Å
690K77.1Confident84.3Confident138 Ų13864.6 Ų64.660%0.634%0.341SS*.PPolyproline II helixtrans-90.2152.9176-72.4178178.1-179.20111.4E685 V688E685-K690 PolarHBondContact O-N 3.34Å; V688-K690 HydrophobicContact CG1-CD 4.12Å; V688-K690 HydrophobicContact CG1-CG 4.13Å
691E76.9Confident84.3Confident189 Ų18961.4 Ų61.488%0.88333%0.326SS*.PPolyproline II helixtrans-63.3139.4163-63.4-171.7157.400109.5
692I83.8Confident84.3Confident38 Ų3861 Ų6120%0.19532%0.318CS..PPolyproline II helixtrans-65.6134.4-177.1-57.9164.2000109.8I636 L682 E685 L686 L696 L697I636-I692 HydrophobicContact CD1-CD1 3.77Å; I636-I692 HydrophobicContact CG1-CD1 4.4Å; L682-I692 HydrophobicContact CD2-CB 4.46Å; L682-I692 HydrophobicContact CD2-CD1 3.74Å; L682-I692 HydrophobicContact CD2-CG1 4.01Å; L682-I692 HydrophobicContact CD2-CG2 3.58Å; E685-I692 WeakPolarHBondContact OE2-CA 3.48Å; L686-I692 HydrophobicContact CD2-CD1 4.21Å; L686-I692 HydrophobicContact CD2-CG1 4.05Å; L686-I692 HydrophobicContact CG-CG1 4.42Å; I692-L696 HydrophobicContact CG2-CB 4.45Å; I692-L697 HydrophobicContact CB-CG 4.47Å; I692-L697 HydrophobicContact CG2-CD1 4.39Å; I692-L697 HydrophobicContact CG2-CD2 4.17Å; I692-L697 HydrophobicContact CG2-CG 3.86Å
693S87Confident84.2Confident38 Ų3863.9 Ų63.927%0.26633%0.331SS..PPolyproline II helixtrans-59.6136178-177.10000113.3E685 D695 L696 L697E685-S693 PolarHBondContact OE2-N 3.35Å; S693-D695 PolarHBondContact O-N 2.82Å; S693-D695 PolarHBondContact OG-N 2.77Å; S693-L696 PolarHBondContact O-N 2.91Å; S693-L696 VanDerWaalsContact O-N 3.12Å; S693-L697 PolarHBondContact O-N 3.47Å; S693-L697 VanDerWaalsContact O-N 3.11Å
694D85Confident84Confident33 Ų3361.8 Ų61.818%0.17632%0.324CS..Hα-helixtrans-55.3-32.8174.3-91.8-8.6000112.1V698 N724 Q725 L728D694-V698 WeakPolarHBondContact O-CG2 3.45Å; D694-V698 PolarHBondContact O-N 3.07Å; D694-V698 VanDerWaalsContact O-N 3.15Å; D694-N724 VanDerWaalsContact OD2-CB 3.31Å; D694-N724 WeakPolarHBondContact OD2-CB 3.34Å; D694-Q725 HydrophobicContact CB-CG 4.04Å; D694-Q725 WeakPolarHBondContact OD1-CG 3.36Å; D694-Q725 PolarHBondContact OD1-NE2 3.3Å; D694-L728 HydrophobicContact CB-CD1 4.25Å
695D85.5Confident83.9Confident82 Ų8258.3 Ų58.344%0.43931%0.306SS..Hα-helixtrans-66.6-46.7176.7-67.5-57.8000111.7S693 L697 V698 D699 L728S693-D695 PolarHBondContact O-N 2.82Å; S693-D695 PolarHBondContact OG-N 2.77Å; D695-L697 VanDerWaalsContact C-N 3.33Å; D695-L697 PolarHBondContact O-N 3.13Å; D695-V698 PolarHBondContact O-N 3.21Å; D695-D699 PolarHBondContact O-N 3Å; D695-L728 WeakPolarHBondContact OD1-CD1 3.5Å; D695-L728 VanDerWaalsContact OD1-CD2 3.24Å; D695-L728 WeakPolarHBondContact OD1-CD2 3.34Å
696L85.2Confident83.6Confident33 Ų3360.6 Ų60.617%0.17332%0.315CS..Hα-helixtrans-66.8-35.8-179.9-66.9176.9000111.7L678 E685 I692 S693 D699 L700L678-L696 HydrophobicContact CD2-CD2 4.19Å; E685-L696 HydrophobicContact CG-CD1 4.47Å; E685-L696 WeakPolarHBondContact OE2-CD1 3.45Å; I692-L696 HydrophobicContact CG2-CB 4.45Å; S693-L696 PolarHBondContact O-N 2.91Å; S693-L696 VanDerWaalsContact O-N 3.12Å; L696-D699 PolarHBondContact O-N 2.77Å; L696-L700 WeakPolarHBondContact O-CD1 2.98Å; L696-L700 VanDerWaalsContact O-CG 3.3Å; L696-L700 WeakPolarHBondContact O-CG 3.41Å; L696-L700 PolarHBondContact O-N 3.24Å
697L87.5Confident83.3Confident26 Ų2660.8 Ų60.814%0.13632%0.323CS..Hα-helixtrans-63.1-42.7173.2-74.4169.2000112.3I636 I692 S693 D695 D699 V701 F719I636-L697 HydrophobicContact CD1-CD2 3.96Å; I636-L697 HydrophobicContact CG1-CD2 4.47Å; I692-L697 HydrophobicContact CB-CG 4.47Å; I692-L697 HydrophobicContact CG2-CD1 4.39Å; I692-L697 HydrophobicContact CG2-CD2 4.17Å; I692-L697 HydrophobicContact CG2-CG 3.86Å; S693-L697 PolarHBondContact O-N 3.47Å; S693-L697 VanDerWaalsContact O-N 3.11Å; D695-L697 VanDerWaalsContact C-N 3.33Å; D695-L697 PolarHBondContact O-N 3.13Å; L697-D699 VanDerWaalsContact C-N 3.32Å; L697-V701 WeakPolarHBondContact O-CG2 3.28Å; L697-V701 PolarHBondContact O-N 3.5Å; L697-F719 HydrophobicContact CB-CE2 4.41Å
698V86.9Confident83Confident3 Ų355.4 Ų55.42%0.01830%0.301CS..Hα-helixtrans-65.3-37.9175.2169.70000110.9D694 D695 V701 Y702 F719 Q725 L728 L729D694-V698 WeakPolarHBondContact O-CG2 3.45Å; D694-V698 PolarHBondContact O-N 3.07Å; D694-V698 VanDerWaalsContact O-N 3.15Å; D695-V698 PolarHBondContact O-N 3.21Å; V698-V701 PolarHBondContact O-N 3.47Å; V698-Y702 WeakPolarHBondContact O-CB 3.39Å; V698-Y702 PolarHBondContact O-N 3.41Å; V698-F719 HydrophobicContact CG2-CE1 4.34Å; V698-F719 HydrophobicContact CG2-CZ 3.84Å; V698-Q725 HydrophobicContact CG2-CB 4.41Å; V698-L728 HydrophobicContact CB-CB 4.46Å; V698-L728 HydrophobicContact CG1-CB 4.31Å; V698-L728 HydrophobicContact CG2-CB 3.97Å; V698-L729 HydrophobicContact CG1-CB 4.31Å; V698-L729 HydrophobicContact CG2-CB 4.41Å
699D84.6Confident82Confident40 Ų4057.1 Ų57.121%0.21430%0.302CS..Hα-helixtrans-73.4-35.6-177.5-76.89.8000113.4L678 D695 L696 L697 Y702 E703 K732L678-D699 HydrophobicContact CD1-CB 4.47Å; L678-D699 HydrophobicContact CD2-CB 4.26Å; D695-D699 PolarHBondContact O-N 3Å; L696-D699 PolarHBondContact O-N 2.77Å; L697-D699 VanDerWaalsContact C-N 3.32Å; D699-Y702 PolarHBondContact O-N 2.92Å; D699-E703 PolarHBondContact O-N 3.37Å; D699-K732 VanDerWaalsContact OD1-CD 3.28Å; D699-K732 WeakPolarHBondContact OD1-CD 3.26Å; D699-K732 WeakPolarHBondContact OD1-CE 3.29Å; D699-K732 IonicContact OD1-NZ 2.81Å; D699-K732 PolarHBondContact OD1-NZ 3.15Å; D699-K732 IonicContact OD2-NZ 3.72Å; D699-K732 PolarHBondContact OD2-NZ 2.98Å
700L85.4Confident81.3Confident13 Ų1357 Ų577%0.06829%0.288CS..Hα-helixtrans-60.4-43.9169-74.2158000111.8I636 A639 L678 L682 L696 K704I636-L700 HydrophobicContact CG1-CD1 4.48Å; A639-L700 HydrophobicContact CB-CD2 3.69Å; L678-L700 HydrophobicContact CB-CD2 3.66Å; L678-L700 HydrophobicContact CB-CG 4.22Å; L678-L700 HydrophobicContact CD1-CD2 4.04Å; L678-L700 HydrophobicContact CD1-CG 4.21Å; L678-L700 HydrophobicContact CG-CD2 4.47Å; L682-L700 HydrophobicContact CD1-CD1 3.62Å; L682-L700 HydrophobicContact CD1-CD2 4.15Å; L682-L700 HydrophobicContact CD2-CD1 4.03Å; L682-L700 HydrophobicContact CG-CD1 3.98Å; L696-L700 WeakPolarHBondContact O-CD1 2.98Å; L696-L700 VanDerWaalsContact O-CG 3.3Å; L696-L700 WeakPolarHBondContact O-CG 3.41Å; L696-L700 PolarHBondContact O-N 3.24Å; L700-K704 PolarHBondContact O-N 3.22Å; L700-K704 VanDerWaalsContact O-N 3.12Å
701V86.5Confident80.7Confident2 Ų254.7 Ų54.71%0.01229%0.286CS..Hα-helixtrans-66.1-40.1175.7170.80000110.8L635 L697 V698 K704 I705 L716 F719 L729L635-V701 HydrophobicContact CD1-CG2 4.02Å; L697-V701 WeakPolarHBondContact O-CG2 3.28Å; L697-V701 PolarHBondContact O-N 3.5Å; V698-V701 PolarHBondContact O-N 3.47Å; V701-K704 PolarHBondContact O-N 2.96Å; V701-I705 HydrophobicContact CG1-CD1 3.82Å; V701-I705 VanDerWaalsContact O-CG1 3.27Å; V701-I705 WeakPolarHBondContact O-CG1 3.29Å; V701-I705 PolarHBondContact O-N 2.69Å; V701-L716 HydrophobicContact CG1-CD2 3.81Å; V701-F719 HydrophobicContact CB-CE1 4.31Å; V701-F719 HydrophobicContact CG1-CD1 4.43Å; V701-F719 HydrophobicContact CG1-CE1 4.3Å; V701-F719 HydrophobicContact CG2-CD1 4.19Å; V701-F719 HydrophobicContact CG2-CE1 3.99Å; V701-F719 HydrophobicContact CG2-CZ 4.44Å; V701-L729 HydrophobicContact CG1-CD1 4.39Å
702Y85.8Confident80.5Confident40 Ų4048.3 Ų48.316%0.15726%0.257CS..Hα-helixtrans-66.1-47.3179.2-174-91.3000112.7L597 V698 D699 K704 I705 K706 K732L597-Y702 HydrophobicContact CD1-CD2 4.5Å; L597-Y702 HydrophobicContact CD1-CE2 3.78Å; L597-Y702 HydrophobicContact CD2-CE2 4.44Å; L597-Y702 HydrophobicContact CG-CE2 4.22Å; V698-Y702 WeakPolarHBondContact O-CB 3.39Å; V698-Y702 PolarHBondContact O-N 3.41Å; D699-Y702 PolarHBondContact O-N 2.92Å; Y702-K704 VanDerWaalsContact C-N 3.33Å; Y702-K704 PolarHBondContact O-N 3.27Å; Y702-I705 PolarHBondContact O-N 2.86Å; Y702-K706 HydrophobicContact CE1-CD 4.27Å; Y702-K706 WeakPolarHBondContact O-CB 3.31Å; Y702-K706 PolarHBondContact O-N 3.28Å; Y702-K732 HydrophobicContact CD2-CB 3.95Å; Y702-K732 HydrophobicContact CE2-CB 4.09Å; Y702-K732 WeakPolarHBondContact CE2-O 3.47Å
703E82Confident80.2Confident59 Ų5946.5 Ų46.528%0.27625%0.248SC..Hα-helixtrans-64.4-36.1175.8-80.6-63.6147.300111.8L678 D699 K706 S707L678-E703 HydrophobicContact CD1-CB 4.43Å; L678-E703 HydrophobicContact CD1-CG 4.17Å; D699-E703 PolarHBondContact O-N 3.37Å; E703-K706 PolarHBondContact O-N 3.19Å; E703-K706 WeakPolarHBondContact OE1-CD 3.34Å; E703-K706 IonicContact OE1-NZ 3.96Å; E703-K706 PolarHBondContact OE1-NZ 2.92Å; E703-K706 IonicContact OE2-NZ 2.66Å; E703-S707 PolarHBondContact O-N 2.81Å
704K81.5Confident80.1Confident50 Ų5044.7 Ų44.722%0.21724%0.236CC..Hα-helixtrans-62.3-45.3170.8-166.476.3166.7-161.60111.5I630 L635 E638 L700 V701 Y702 K706 S707 L708I630-K704 HydrophobicContact CD1-CG 4.44Å; L635-K704 HydrophobicContact CD1-CB 3.86Å; L635-K704 HydrophobicContact CD1-CG 4.3Å; L635-K704 HydrophobicContact CD2-CB 4.01Å; L635-K704 HydrophobicContact CD2-CD 3.52Å; L635-K704 HydrophobicContact CD2-CG 3.68Å; E638-K704 IonicContact OE1-NZ 3.84Å; E638-K704 PolarHBondContact OE1-NZ 3.29Å; E638-K704 IonicContact OE2-NZ 3.24Å; E638-K704 PolarHBondContact OE2-NZ 3.25Å; L700-K704 PolarHBondContact O-N 3.22Å; L700-K704 VanDerWaalsContact O-N 3.12Å; V701-K704 PolarHBondContact O-N 2.96Å; Y702-K704 VanDerWaalsContact C-N 3.33Å; Y702-K704 PolarHBondContact O-N 3.27Å; K704-K706 VanDerWaalsContact C-N 3.32Å; K704-K706 PolarHBondContact O-N 3.01Å; K704-S707 PolarHBondContact O-N 2.94Å; K704-S707 PolarHBondContact O-OG 2.91Å; K704-L708 PolarHBondContact O-N 2.88Å
705I83.1Confident80.2Confident1 Ų143.2 Ų43.21%0.00523%0.228CC..Hα-helixtrans-60.2-41.9176.2-70164.1000111.1L597 F600 I630 V701 Y702 S707 L708 F714L597-I705 HydrophobicContact CD1-CG2 4.3Å; L597-I705 HydrophobicContact CD2-CG2 4.12Å; F600-I705 HydrophobicContact CE2-CG2 3.74Å; F600-I705 HydrophobicContact CZ-CG2 4.1Å; F600-I705 WeakPolarHBondContact CZ-O 3.37Å; I630-I705 HydrophobicContact CD1-CG1 3.66Å; V701-I705 HydrophobicContact CG1-CD1 3.82Å; V701-I705 VanDerWaalsContact O-CG1 3.27Å; V701-I705 WeakPolarHBondContact O-CG1 3.29Å; V701-I705 PolarHBondContact O-N 2.69Å; Y702-I705 PolarHBondContact O-N 2.86Å; I705-S707 VanDerWaalsContact C-N 3.29Å; I705-S707 PolarHBondContact O-N 3.47Å; I705-L708 PolarHBondContact O-N 3.49Å; I705-F714 HydrophobicContact CD1-CD2 4.26Å; I705-F714 HydrophobicContact CD1-CE1 4.22Å; I705-F714 HydrophobicContact CD1-CE2 3.8Å; I705-F714 HydrophobicContact CD1-CZ 3.77Å; I705-F714 HydrophobicContact CG1-CD1 4.24Å; I705-F714 HydrophobicContact CG1-CD2 4.34Å; I705-F714 HydrophobicContact CG1-CE1 4.18Å; I705-F714 HydrophobicContact CG1-CE2 4.3Å; I705-F714 HydrophobicContact CG1-CG 4.32Å; I705-F714 HydrophobicContact CG1-CZ 4.22Å; I705-F714 HydrophobicContact CG2-CD1 4.16Å; I705-F714 HydrophobicContact CG2-CE1 3.74Å; I705-F714 HydrophobicContact CG2-CZ 4.28Å
706K80.3Confident80.3Confident97 Ų9739.4 Ų39.442%0.42221%0.207SC..Hα-helixtrans-64.7-29.2176.9-176.2175.2163.1-165.60113.2L597 Y702 E703 K704 L708L597-K706 HydrophobicContact CD2-CB 4.08Å; Y702-K706 HydrophobicContact CE1-CD 4.27Å; Y702-K706 WeakPolarHBondContact O-CB 3.31Å; Y702-K706 PolarHBondContact O-N 3.28Å; E703-K706 PolarHBondContact O-N 3.19Å; E703-K706 WeakPolarHBondContact OE1-CD 3.34Å; E703-K706 IonicContact OE1-NZ 3.96Å; E703-K706 PolarHBondContact OE1-NZ 2.92Å; E703-K706 IonicContact OE2-NZ 2.66Å; K704-K706 VanDerWaalsContact C-N 3.32Å; K704-K706 PolarHBondContact O-N 3.01Å; K706-L708 VanDerWaalsContact C-N 3.34Å
707S77.6Confident80.2Confident82 Ų8238.6 Ų38.657%0.57320%0.203SC*.Hα-helixtrans-76.6-12.5174.776.80000115E703 K704 I705E703-S707 PolarHBondContact O-N 2.81Å; K704-S707 PolarHBondContact O-N 2.94Å; K704-S707 PolarHBondContact O-OG 2.91Å; I705-S707 VanDerWaalsContact C-N 3.29Å; I705-S707 PolarHBondContact O-N 3.47Å
708L76.7Confident79.8Confident28 Ų2838.2 Ų38.215%0.14721%0.206CC..SBendtrans-80.6142.8-177.5-70175.5000112.6F600 V628 I630 K704 I705 K706 F714F600-L708 HydrophobicContact CE1-CB 4.09Å; F600-L708 HydrophobicContact CZ-CB 4.48Å; V628-L708 HydrophobicContact CB-CD2 4.43Å; V628-L708 HydrophobicContact CG1-CD2 4.48Å; V628-L708 HydrophobicContact CG2-CD2 4.26Å; I630-L708 HydrophobicContact CD1-CD1 4.11Å; K704-L708 PolarHBondContact O-N 2.88Å; I705-L708 PolarHBondContact O-N 3.49Å; K706-L708 VanDerWaalsContact C-N 3.34Å; L708-F714 HydrophobicContact CD1-CB 3.98Å
709Q64.5Low79.7Confident137 Ų13738.4 Ų38.464%0.6421%0.206SC*.  trans-71.2142.1174.8-68.7-159.12.500112T711 I712Q709-T711 PolarHBondContact O-N 3.19Å; Q709-I712 HydrophobicContact CB-CD1 4.47Å; Q709-I712 PolarHBondContact O-N 2.85Å
710P63.3Low79.8Confident67 Ų6736.6 Ų36.644%0.43520%0.197SC..THydrogen-bonded Turntrans-66-11.7-168.726.3-37.3000115.3P598 P601 I712P598-P710 HydrophobicContact CB-CB 3.78Å; P598-P710 HydrophobicContact CG-CB 3.8Å; P601-P710 WeakPolarHBondContact CD-O 3.43Å; P710-I712 VanDerWaalsContact C-N 3.34Å
711T64.8Low79.7Confident91 Ų9139 Ų3956%0.55821%0.212SC*.THydrogen-bonded Turntrans-86.8-1.6-179.851.20000113.9Q709Q709-T711 PolarHBondContact O-N 3.19Å
712I73.6Confident79.6Confident54 Ų5442.2 Ų42.228%0.27723%0.229SC..SBendtrans-120.4134-172.3-51.3177.6000108.8F600 V628 Q709 P710F600-I712 WeakPolarHBondContact CD1-O 3.35Å; V628-I712 HydrophobicContact CG2-CG2 3.96Å; Q709-I712 HydrophobicContact CB-CD1 4.47Å; Q709-I712 PolarHBondContact O-N 2.85Å; P710-I712 VanDerWaalsContact C-N 3.34Å
713G76.8Confident79.5Confident0 Ų044.2 Ų44.20%024%0.237CC..EExtended strand (participates in β ladder)trans-81.7168.1173.800000112.7I602 R626 C627 V628I602-G713 VanDerWaalsContact O-CA 3.22Å; I602-G713 WeakPolarHBondContact O-CA 3.38Å; R626-G713 PolarHBondContact O-N 2.87Å; C627-G713 CarbonylContact C-O 3.6Å; C627-G713 VanDerWaalsContact CA-O 3.26Å; C627-G713 WeakPolarHBondContact CA-O 3.13Å; V628-G713 PolarHBondContact N-O 2.86Å
714F86.3Confident79.7Confident1 Ų146 Ų460%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-126.1148.2172.667-99000112.7F600 I602 K603 L604 V628 I630 I705 L708 L716 L766F600-F714 HydrophobicContact CD2-CD1 4.39Å; F600-F714 AromaticContact CD2-CE1 4Å; F600-F714 HydrophobicContact CD2-CE1 4Å; F600-F714 HydrophobicContact CE2-CE1 4.39Å; F600-F714 HydrophobicContact CG-CD1 4.43Å; F600-F714 HydrophobicContact CG-CE1 4.41Å; I602-F714 PolarHBondContact O-N 3.08Å; K603-F714 HydrophobicContact CB-CE1 4.23Å; K603-F714 HydrophobicContact CB-CE2 4.33Å; K603-F714 HydrophobicContact CB-CZ 3.89Å; K603-F714 HydrophobicContact CD-CE1 4.4Å; K603-F714 HydrophobicContact CD-CZ 4.27Å; K603-F714 HydrophobicContact CG-CE1 3.8Å; K603-F714 HydrophobicContact CG-CZ 3.88Å; L604-F714 PolarHBondContact N-O 3.46Å; V628-F714 WeakPolarHBondContact O-CA 3.36Å; I630-F714 HydrophobicContact CD1-CB 3.84Å; I630-F714 HydrophobicContact CD1-CD2 4.37Å; I630-F714 HydrophobicContact CD1-CG 4.25Å; I630-F714 HydrophobicContact CG1-CB 4.37Å; I705-F714 HydrophobicContact CD1-CD2 4.26Å; I705-F714 HydrophobicContact CD1-CE1 4.22Å; I705-F714 HydrophobicContact CD1-CE2 3.8Å; I705-F714 HydrophobicContact CD1-CZ 3.77Å; I705-F714 HydrophobicContact CG1-CD1 4.24Å; I705-F714 HydrophobicContact CG1-CD2 4.34Å; I705-F714 HydrophobicContact CG1-CE1 4.18Å; I705-F714 HydrophobicContact CG1-CE2 4.3Å; I705-F714 HydrophobicContact CG1-CG 4.32Å; I705-F714 HydrophobicContact CG1-CZ 4.22Å; I705-F714 HydrophobicContact CG2-CD1 4.16Å; I705-F714 HydrophobicContact CG2-CE1 3.74Å; I705-F714 HydrophobicContact CG2-CZ 4.28Å; L708-F714 HydrophobicContact CD1-CB 3.98Å; F714-L716 HydrophobicContact CD2-CD2 4.11Å; F714-L716 HydrophobicContact CD2-CG 4.24Å; F714-L716 HydrophobicContact CE2-CD2 4.28Å; F714-L716 HydrophobicContact CE2-CG 4.26Å; F714-L766 HydrophobicContact CE2-CD2 4.24Å
715I86.1Confident80Confident2 Ų243.9 Ų43.91%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-124.9120.2175.6-52.4175.6000108.6L604 L606 I618 L621 C627 V628 G629 I630L604-I715 HydrophobicContact CB-CB 4.39Å; L604-I715 HydrophobicContact CB-CG1 4.05Å; L604-I715 HydrophobicContact CB-CG2 4.29Å; L604-I715 HydrophobicContact CD2-CB 4.47Å; L604-I715 HydrophobicContact CD2-CD1 4.09Å; L604-I715 HydrophobicContact CD2-CG1 3.93Å; L604-I715 HydrophobicContact CD2-CG2 3.88Å; L604-I715 HydrophobicContact CG-CG2 4.32Å; L604-I715 CarbonylContact O-C 3.54Å; L604-I715 WeakPolarHBondContact O-CA 3.24Å; L606-I715 HydrophobicContact CB-CG2 3.97Å; L606-I715 HydrophobicContact CD1-CG2 4.42Å; I618-I715 HydrophobicContact CD1-CG2 3.93Å; I618-I715 HydrophobicContact CG1-CG2 3.96Å; L621-I715 HydrophobicContact CB-CD1 4.1Å; L621-I715 HydrophobicContact CD1-CD1 3.96Å; C627-I715 HydrophobicContact CB-CD1 3.89Å; C627-I715 HydrophobicContact CB-CG1 4.03Å; V628-I715 PolarHBondContact O-N 2.82Å; G629-I715 WeakPolarHBondContact CA-O 3.46Å; I630-I715 PolarHBondContact N-O 3.39Å
716L86.7Confident80.1Confident1 Ų143.9 Ų43.91%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-82.2119.8173.7-54.5175000109.9L604 A605 L606 I630 V701 F714 G718 F719 L729 L766L604-L716 PolarHBondContact O-N 3.23Å; A605-L716 HydrophobicContact CB-CB 4.33Å; A605-L716 HydrophobicContact CB-CD1 4.31Å; L606-L716 PolarHBondContact N-O 3.01Å; I630-L716 HydrophobicContact CB-CD2 4.12Å; I630-L716 HydrophobicContact CD1-CD2 4.42Å; I630-L716 HydrophobicContact CG2-CD2 4.41Å; V701-L716 HydrophobicContact CG1-CD2 3.81Å; F714-L716 HydrophobicContact CD2-CD2 4.11Å; F714-L716 HydrophobicContact CD2-CG 4.24Å; F714-L716 HydrophobicContact CE2-CD2 4.28Å; F714-L716 HydrophobicContact CE2-CG 4.26Å; L716-G718 PolarHBondContact O-N 3.48Å; L716-F719 HydrophobicContact CB-CB 4.42Å; L716-F719 WeakPolarHBondContact CB-O 3.42Å; L716-F719 HydrophobicContact CD1-CD1 4.39Å; L716-L729 HydrophobicContact CD1-CD1 4Å; L716-L766 HydrophobicContact CD1-CD2 4.27Å
717D84.9Confident80.2Confident16 Ų1642.5 Ų42.59%0.08623%0.233CC..EExtended strand (participates in β ladder)trans-81.6107.7174-170.6-1.3000110.5K614 T615 I618 I630 N631 F719K614-D717 WeakPolarHBondContact CB-OD1 3.36Å; K614-D717 WeakPolarHBondContact CE-OD1 3.35Å; T615-D717 WeakPolarHBondContact CA-OD2 3.44Å; T615-D717 VanDerWaalsContact CB-OD2 3.27Å; T615-D717 WeakPolarHBondContact CB-OD2 3.32Å; T615-D717 WeakPolarHBondContact CG2-OD2 3.2Å; T615-D717 PolarHBondContact OG1-OD2 3.39Å; I618-D717 HydrophobicContact CD1-CB 3.5Å; I618-D717 VanDerWaalsContact CD1-CB 3.5Å; I630-D717 PolarHBondContact O-N 3.32Å; N631-D717 HydrophobicContact CB-CB 4.46Å; D717-F719 PolarHBondContact O-N 3.3Å
718G78.4Confident80.5Confident19 Ų1940.3 Ų40.320%0.19622%0.215CC..SBendtrans69.2-0.2173.100000116.1L606 L716 T721L606-G718 PolarHBondContact O-N 2.83Å; L716-G718 PolarHBondContact O-N 3.48Å; G718-T721 VanDerWaalsContact O-CG2 3.28Å; G718-T721 WeakPolarHBondContact O-CG2 3.32Å
719F85.2Confident80.9Confident6 Ų639.2 Ų39.23%0.02621%0.209CC..  trans-106.7138.3179.7-169.2-102000110.9P632 L697 V698 V701 L716 D717 Q725 L729P632-F719 HydrophobicContact CG-CB 4.41Å; P632-F719 HydrophobicContact CG-CD2 4.4Å; L697-F719 HydrophobicContact CB-CE2 4.41Å; V698-F719 HydrophobicContact CG2-CE1 4.34Å; V698-F719 HydrophobicContact CG2-CZ 3.84Å; V701-F719 HydrophobicContact CB-CE1 4.31Å; V701-F719 HydrophobicContact CG1-CD1 4.43Å; V701-F719 HydrophobicContact CG1-CE1 4.3Å; V701-F719 HydrophobicContact CG2-CD1 4.19Å; V701-F719 HydrophobicContact CG2-CE1 3.99Å; V701-F719 HydrophobicContact CG2-CZ 4.44Å; L716-F719 HydrophobicContact CB-CB 4.42Å; L716-F719 WeakPolarHBondContact CB-O 3.42Å; L716-F719 HydrophobicContact CD1-CD1 4.39Å; D717-F719 PolarHBondContact O-N 3.3Å; F719-Q725 HydrophobicContact CE2-CB 4.19Å; F719-Q725 HydrophobicContact CE2-CG 4.08Å; F719-Q725 HydrophobicContact CZ-CB 4.13Å; F719-Q725 HydrophobicContact CZ-CG 4.35Å; F719-L729 HydrophobicContact CD1-CD1 4.11Å; F719-L729 HydrophobicContact CE1-CD1 3.73Å
720P85Confident81.6Confident2 Ų233.1 Ų33.11%0.01318%0.181CC..  cis-78.3146.80.331.3-34.7000113.9Q725 A726 Y876P720-Q725 HydrophobicContact CB-CB 3.68Å; P720-A726 HydrophobicContact CB-CB 4.1Å; P720-A726 HydrophobicContact CG-CB 3.7Å; P720-Y876 WeakPolarHBondContact CG-OH 3.49Å
721T83.4Confident82.4Confident65 Ų6531.7 Ų31.740%0.39917%0.168SC..  trans-93-24.3176.662.40000113.6G718 Q725 S868 L872G718-T721 VanDerWaalsContact O-CG2 3.28Å; G718-T721 WeakPolarHBondContact O-CG2 3.32Å; T721-Q725 PolarHBondContact OG1-NE2 3.27Å; T721-Q725 PolarHBondContact OG1-OE1 3.09Å; T721-S868 VanDerWaalsContact O-CB 3.25Å; T721-S868 WeakPolarHBondContact O-CB 3.43Å; T721-S868 PolarHBondContact O-OG 2.77Å; T721-L872 WeakPolarHBondContact O-CD1 3.38Å
722N84.8Confident83Confident68 Ų6831.5 Ų31.536%0.36416%0.16SC..SBendtrans-126.3154.1-175.5-78.7-27.3000112.6N724 Q725 A726N722-N724 VanDerWaalsContact C-N 3.27Å; N722-N724 PolarHBondContact O-N 3.28Å; N722-Q725 HydrophobicContact CB-CG 4.15Å; N722-Q725 PolarHBondContact O-N 2.78Å; N722-A726 PolarHBondContact O-N 3.2Å; N722-A726 VanDerWaalsContact O-N 3.07Å
723Y84.7Confident83Confident83 Ų8329.4 Ų29.433%0.32515%0.149SC..Hα-helixtrans-58.6-36.5177.3171.4-96.1000113.1A726 K727 F875Y723-A726 PolarHBondContact O-N 2.85Å; Y723-K727 PolarHBondContact O-N 3.38Å; Y723-F875 HydrophobicContact CD2-CB 4.1Å; Y723-F875 HydrophobicContact CD2-CD2 4.36Å; Y723-F875 HydrophobicContact CD2-CG 4.25Å; Y723-F875 HydrophobicContact CE2-CB 4.03Å; Y723-F875 AromaticContact CE2-CD2 3.64Å; Y723-F875 HydrophobicContact CE2-CD2 3.64Å; Y723-F875 HydrophobicContact CE2-CE2 4.3Å; Y723-F875 AromaticContact CE2-CG 3.97Å; Y723-F875 HydrophobicContact CE2-CG 3.97Å
724N85.1Confident82.6Confident95 Ų9530.9 Ų30.951%0.50816%0.158SC..Hα-helixtrans-65.8-52.5179-65-3.6000110.7D694 N722 A726 K727 L728D694-N724 VanDerWaalsContact OD2-CB 3.31Å; D694-N724 WeakPolarHBondContact OD2-CB 3.34Å; N722-N724 VanDerWaalsContact C-N 3.27Å; N722-N724 PolarHBondContact O-N 3.28Å; N724-A726 VanDerWaalsContact C-N 3.25Å; N724-A726 PolarHBondContact O-N 3.16Å; N724-K727 WeakPolarHBondContact O-CB 3.43Å; N724-K727 PolarHBondContact O-N 2.83Å; N724-L728 WeakPolarHBondContact O-CB 3.29Å; N724-L728 VanDerWaalsContact O-CG 3.31Å; N724-L728 WeakPolarHBondContact O-CG 3.46Å; N724-L728 PolarHBondContact O-N 2.87Å
725Q88.1Confident81.3Confident7 Ų732.6 Ų32.63%0.03318%0.176CC..Hα-helixtrans-50.1-44.6171.8-60.3169.9-4.100112.1D694 V698 F719 P720 T721 N722 L728 L729D694-Q725 HydrophobicContact CB-CG 4.04Å; D694-Q725 WeakPolarHBondContact OD1-CG 3.36Å; D694-Q725 PolarHBondContact OD1-NE2 3.3Å; V698-Q725 HydrophobicContact CG2-CB 4.41Å; F719-Q725 HydrophobicContact CE2-CB 4.19Å; F719-Q725 HydrophobicContact CE2-CG 4.08Å; F719-Q725 HydrophobicContact CZ-CB 4.13Å; F719-Q725 HydrophobicContact CZ-CG 4.35Å; P720-Q725 HydrophobicContact CB-CB 3.68Å; T721-Q725 PolarHBondContact OG1-NE2 3.27Å; T721-Q725 PolarHBondContact OG1-OE1 3.09Å; N722-Q725 HydrophobicContact CB-CG 4.15Å; N722-Q725 PolarHBondContact O-N 2.78Å; Q725-L728 PolarHBondContact O-N 2.86Å; Q725-L729 WeakPolarHBondContact O-CB 3.28Å; Q725-L729 PolarHBondContact O-N 3.27Å
726A84.9Confident79.8Confident0 Ų036.3 Ų36.30%020%0.196CC..Hα-helixtrans-64.4-42.3177.700000113P720 N722 Y723 N724 E730 L872 F875 Y876P720-A726 HydrophobicContact CB-CB 4.1Å; P720-A726 HydrophobicContact CG-CB 3.7Å; N722-A726 PolarHBondContact O-N 3.2Å; N722-A726 VanDerWaalsContact O-N 3.07Å; Y723-A726 PolarHBondContact O-N 2.85Å; N724-A726 VanDerWaalsContact C-N 3.25Å; N724-A726 PolarHBondContact O-N 3.16Å; A726-E730 WeakPolarHBondContact O-CB 3.47Å; A726-E730 WeakPolarHBondContact O-CG 3.2Å; A726-E730 PolarHBondContact O-N 2.77Å; A726-E730 VanDerWaalsContact O-N 3.08Å; A726-L872 HydrophobicContact CB-CD2 3.5Å; A726-F875 HydrophobicContact CB-CD1 4.09Å; A726-F875 HydrophobicContact CB-CE1 3.93Å; A726-Y876 HydrophobicContact CB-CE2 4.31Å; A726-Y876 WeakPolarHBondContact CB-OH 3.17Å
727K82.7Confident78.1Confident69 Ų6941.3 Ų41.330%0.323%0.226SC..Hα-helixtrans-62.8-48.1175.1-173.9-163.1173.5-1670111.2Y723 N724 E730 Q731 L738Y723-K727 PolarHBondContact O-N 3.38Å; N724-K727 WeakPolarHBondContact O-CB 3.43Å; N724-K727 PolarHBondContact O-N 2.83Å; K727-E730 PolarHBondContact O-N 2.98Å; K727-Q731 WeakPolarHBondContact O-CB 3.4Å; K727-Q731 VanDerWaalsContact O-CG 3.27Å; K727-Q731 WeakPolarHBondContact O-CG 3.45Å; K727-Q731 PolarHBondContact O-N 2.93Å; K727-L738 HydrophobicContact CG-CD1 4.2Å
728L84.2Confident76.4Confident35 Ų3541.9 Ų41.918%0.18323%0.229CC..Hα-helixtrans-65.7-43.6-177.7-70.3165.6000111.8D694 D695 V698 N724 Q725 Q731 K732D694-L728 HydrophobicContact CB-CD1 4.25Å; D695-L728 WeakPolarHBondContact OD1-CD1 3.5Å; D695-L728 VanDerWaalsContact OD1-CD2 3.24Å; D695-L728 WeakPolarHBondContact OD1-CD2 3.34Å; V698-L728 HydrophobicContact CB-CB 4.46Å; V698-L728 HydrophobicContact CG1-CB 4.31Å; V698-L728 HydrophobicContact CG2-CB 3.97Å; N724-L728 WeakPolarHBondContact O-CB 3.29Å; N724-L728 VanDerWaalsContact O-CG 3.31Å; N724-L728 WeakPolarHBondContact O-CG 3.46Å; N724-L728 PolarHBondContact O-N 2.87Å; Q725-L728 PolarHBondContact O-N 2.86Å; L728-Q731 WeakPolarHBondContact O-CB 3.48Å; L728-Q731 PolarHBondContact O-N 3.49Å; L728-K732 PolarHBondContact O-N 3.41Å
729L84.4Confident74.7Confident6 Ų646 Ų463%0.03125%0.25CC..Hα-helixtrans-63.9-44.6176.1177.9134000111.7V698 V701 L716 F719 Q725 K732 L733 L766V698-L729 HydrophobicContact CG1-CB 4.31Å; V698-L729 HydrophobicContact CG2-CB 4.41Å; V701-L729 HydrophobicContact CG1-CD1 4.39Å; L716-L729 HydrophobicContact CD1-CD1 4Å; F719-L729 HydrophobicContact CD1-CD1 4.11Å; F719-L729 HydrophobicContact CE1-CD1 3.73Å; Q725-L729 WeakPolarHBondContact O-CB 3.28Å; Q725-L729 PolarHBondContact O-N 3.27Å; L729-K732 PolarHBondContact O-N 2.87Å; L729-L733 HydrophobicContact CD2-CD1 3.56Å; L729-L733 HydrophobicContact CD2-CG 4.49Å; L729-L733 HydrophobicContact CG-CD1 3.82Å; L729-L733 HydrophobicContact CG-CG 4.31Å; L729-L733 VanDerWaalsContact O-CB 3.26Å; L729-L733 WeakPolarHBondContact O-CB 3.31Å; L729-L733 VanDerWaalsContact O-CG 3.24Å; L729-L733 WeakPolarHBondContact O-CG 3.33Å; L729-L733 PolarHBondContact O-N 3Å; L729-L766 HydrophobicContact CD2-CD1 3.78Å; L729-L766 HydrophobicContact CD2-CD2 4.25Å; L729-L766 HydrophobicContact CD2-CG 3.93Å
730E80.2Confident72.6Confident9 Ų952 Ų524%0.04228%0.28CS..Hα-helixtrans-64.8-37.9173.6-74.9-67.7152.300111.9A726 K727 T734 G765 L766 F875A726-E730 WeakPolarHBondContact O-CB 3.47Å; A726-E730 WeakPolarHBondContact O-CG 3.2Å; A726-E730 PolarHBondContact O-N 2.77Å; A726-E730 VanDerWaalsContact O-N 3.08Å; K727-E730 PolarHBondContact O-N 2.98Å; E730-T734 WeakPolarHBondContact O-CB 3.29Å; E730-T734 VanDerWaalsContact O-CG2 3.25Å; E730-T734 WeakPolarHBondContact O-CG2 3.2Å; E730-T734 PolarHBondContact O-N 3.39Å; E730-T734 PolarHBondContact O-OG1 3.25Å; E730-G765 WeakPolarHBondContact OE2-CA 3.43Å; E730-G765 PolarHBondContact OE2-N 3.38Å; E730-L766 PolarHBondContact OE1-N 2.89Å; E730-F875 HydrophobicContact CG-CE1 4.22Å; E730-F875 HydrophobicContact CG-CZ 4.35Å
731Q79.8Confident70.1Confident37 Ų3758.7 Ų58.717%0.17332%0.316CS..Hα-helixtrans-60-50.2173.1-76.7174.6-56.300111.8K727 L728 T734 G735 L738K727-Q731 WeakPolarHBondContact O-CB 3.4Å; K727-Q731 VanDerWaalsContact O-CG 3.27Å; K727-Q731 WeakPolarHBondContact O-CG 3.45Å; K727-Q731 PolarHBondContact O-N 2.93Å; L728-Q731 WeakPolarHBondContact O-CB 3.48Å; L728-Q731 PolarHBondContact O-N 3.49Å; Q731-T734 PolarHBondContact O-N 3.24Å; Q731-G735 PolarHBondContact O-N 2.81Å; Q731-L738 HydrophobicContact CG-CB 4.07Å; Q731-L738 HydrophobicContact CG-CD1 4.36Å; Q731-L738 HydrophobicContact CG-CG 4.3Å
732K77Confident67.6Low87 Ų8762.3 Ų62.338%0.37833%0.333SS..Hα-helixtrans-72.5-29.6-179.4-66.5-149.7175.4-171.70113.9D699 Y702 L728 L729D699-K732 VanDerWaalsContact OD1-CD 3.28Å; D699-K732 WeakPolarHBondContact OD1-CD 3.26Å; D699-K732 WeakPolarHBondContact OD1-CE 3.29Å; D699-K732 IonicContact OD1-NZ 2.81Å; D699-K732 PolarHBondContact OD1-NZ 3.15Å; D699-K732 IonicContact OD2-NZ 3.72Å; D699-K732 PolarHBondContact OD2-NZ 2.98Å; Y702-K732 HydrophobicContact CD2-CB 3.95Å; Y702-K732 HydrophobicContact CE2-CB 4.09Å; Y702-K732 WeakPolarHBondContact CE2-O 3.47Å; L728-K732 PolarHBondContact O-N 3.41Å; L729-K732 PolarHBondContact O-N 2.87Å
733L74.5Confident65.1Low10 Ų1065.9 Ų65.95%0.05235%0.352CS..Hα-helixtrans-78-23.5175.4-71.7178.7000114.1L597 L729 L766L597-L733 HydrophobicContact CD1-CD2 3.65Å; L729-L733 HydrophobicContact CD2-CD1 3.56Å; L729-L733 HydrophobicContact CD2-CG 4.49Å; L729-L733 HydrophobicContact CG-CD1 3.82Å; L729-L733 HydrophobicContact CG-CG 4.31Å; L729-L733 VanDerWaalsContact O-CB 3.26Å; L729-L733 WeakPolarHBondContact O-CB 3.31Å; L729-L733 VanDerWaalsContact O-CG 3.24Å; L729-L733 WeakPolarHBondContact O-CG 3.33Å; L729-L733 PolarHBondContact O-N 3Å; L733-L766 HydrophobicContact CD1-CD2 3.9Å; L733-L766 HydrophobicContact CD1-CG 4.13Å
734T68.7Low62.8Low31 Ų3170.8 Ų70.819%0.1938%0.375CS..Hα-helixtrans-105.3-20-17862.70000114.3E730 Q731 N736 K763 G765E730-T734 WeakPolarHBondContact O-CB 3.29Å; E730-T734 VanDerWaalsContact O-CG2 3.25Å; E730-T734 WeakPolarHBondContact O-CG2 3.2Å; E730-T734 PolarHBondContact O-N 3.39Å; E730-T734 PolarHBondContact O-OG1 3.25Å; Q731-T734 PolarHBondContact O-N 3.24Å; T734-N736 PolarHBondContact O-N 3.26Å; T734-N736 PolarHBondContact OG1-N 3.34Å; T734-K763 WeakPolarHBondContact CG2-O 3.27Å; T734-G765 VanDerWaalsContact CG2-N 3.26Å
735G59Low60.2Low36 Ų3670.6 Ų70.637%0.37138%0.381SS..  trans77.2-11.3-171.800000114.1Q731Q731-G735 PolarHBondContact O-N 2.81Å
736N54.7Low57.5Low81 Ų8176.3 Ų76.343%0.43341%0.411SS..  trans-86.6116.5-178.9-79.413000110.9T734 L738 L762T734-N736 PolarHBondContact O-N 3.26Å; T734-N736 PolarHBondContact OG1-N 3.34Å; N736-L738 PolarHBondContact O-N 3.26Å; N736-L762 HydrophobicContact CB-CD2 4.35Å
737T49.7Very low55.1Low106 Ų10682.7 Ų82.765%0.6545%0.446SS*.  trans-63.4108.416647.40000110.1V739T737-V739 PolarHBondContact O-N 2.98Å
738L48.8Very low53Low28 Ų2884.7 Ų84.715%0.14746%0.458CS..  trans-64.771.4166.7-77.4171.1000111.8K727 Q731 N736 M740 L762K727-L738 HydrophobicContact CG-CD1 4.2Å; Q731-L738 HydrophobicContact CG-CB 4.07Å; Q731-L738 HydrophobicContact CG-CD1 4.36Å; Q731-L738 HydrophobicContact CG-CG 4.3Å; N736-L738 PolarHBondContact O-N 3.26Å; L738-M740 VanDerWaalsContact C-N 3.26Å; L738-M740 PolarHBondContact O-N 3.39Å; L738-M740 VanDerWaalsContact O-N 3.08Å; L738-L762 HydrophobicContact CD2-CD2 3.77Å
739V44Very low50.7Low104 Ų10484.1 Ų84.163%0.6346%0.457SS*.  trans-74.884.6162-174.70000107T737 N741T737-V739 PolarHBondContact O-N 2.98Å; V739-N741 PolarHBondContact O-N 2.65Å
740M41.5Very low48.8Very low132 Ų13289.2 Ų89.265%0.6548%0.484SS*.  trans-62.5127.2152-70.5-67.5-147.600106.7L738 N742L738-M740 VanDerWaalsContact C-N 3.26Å; L738-M740 PolarHBondContact O-N 3.39Å; L738-M740 VanDerWaalsContact O-N 3.08Å; M740-N742 PolarHBondContact O-N 2.66Å
741N31.9Very low47Very low144 Ų14490.7 Ų90.777%0.7749%0.491SS*.SBendtrans-70.268.8177.6-76.9-5.3000111.4V739V739-N741 PolarHBondContact O-N 2.65Å
742N31.5Very low45.2Very low141 Ų14192.2 Ų92.275%0.75450%0.501SS*.  trans-91.8-17.4170.1-75.223.4000111.6M740 K744M740-N742 PolarHBondContact O-N 2.66Å; N742-K744 VanDerWaalsContact C-N 3.31Å; N742-K744 PolarHBondContact O-N 2.84Å
743N31.7Very low43.1Very low143 Ų14395.1 Ų95.177%0.76552%0.52SS*.  trans-70.994.1160.2-75.712.4000107.7S745N743-S745 PolarHBondContact O-N 3.39Å
744K36.3Very low41.1Very low186 Ų18699.1 Ų99.181%0.80955%0.545SS*.  trans-64.975.3151.4-72-173.1175.2-171.40108N742 N746N742-K744 VanDerWaalsContact C-N 3.31Å; N742-K744 PolarHBondContact O-N 2.84Å; K744-N746 PolarHBondContact O-N 2.67Å; K744-N746 PolarHBondContact O-OD1 3.16Å
745S30Very low39.2Very low91 Ų91106 Ų10664%0.63658%0.575SS**  trans-71.588.7160.554.40000106.7N743N743-S745 PolarHBondContact O-N 3.39Å
746N32.6Very low37.7Very low126 Ų126110.2 Ų110.267%0.67459%0.589SS**  trans-48.8149.1169.6-60.8-12.7000108.9K744K744-N746 PolarHBondContact O-N 2.67Å; K744-N746 PolarHBondContact O-OD1 3.16Å
747N32.9Very low36.6Very low135 Ų135112.1 Ų112.172%0.72261%0.608SS**  trans90.145.6-175.8-44.4-27.5000116.8
748I39.5Very low35.6Very low110 Ų110111.6 Ų111.656%0.56461%0.605SS**SBendtrans-125.3126.6144-56.3179.9000106.9
749P36.6Very low34.9Very low24 Ų24117.4 Ų117.416%0.15664%0.636CS.*  trans-64.1141.9-176.2-23.333.9000113.5L751 W1139 E1143P749-L751 PolarHBondContact O-N 3.45Å; P749-W1139 HydrophobicContact CB-CH2 3.94Å; P749-W1139 HydrophobicContact CG-CH2 3.84Å; P749-W1139 HydrophobicContact CG-CZ3 4.13Å; P749-E1143 HydrophobicContact CB-CG 4.06Å; P749-E1143 HydrophobicContact CG-CG 4.1Å
750L43.5Very low34.6Very low113 Ų113119.9 Ų119.959%0.59265%0.645SS**G310 helixtrans-62.1-3.8-175-90.376000115.7L752 D753L750-L752 PolarHBondContact O-N 3.42Å; L750-D753 PolarHBondContact O-N 3.08Å
751L43.1Very low34.7Very low39 Ų39122.9 Ų122.920%0.20466%0.655CS.*G310 helixtrans-68.61.9-172.5-143.180.4000115.3E575 I578 P749 W1139E575-L751 HydrophobicContact CG-CD2 4.28Å; I578-L751 HydrophobicContact CD1-CD2 4.18Å; P749-L751 PolarHBondContact O-N 3.45Å; L751-W1139 HydrophobicContact CD2-CZ2 4.35Å
752L41.1Very low35.4Very low70 Ų70120 Ų12037%0.36664%0.639SS.*G310 helixtrans-108.6-11-179.7-11070000115.1I578 K579 L750 V754I578-L752 HydrophobicContact CG2-CD1 4.33Å; K579-L752 HydrophobicContact CG-CD1 3.86Å; K579-L752 HydrophobicContact CG-CG 4.15Å; L750-L752 PolarHBondContact O-N 3.42Å; L752-V754 PolarHBondContact O-N 2.91Å
753D34.3Very low36.5Very low148 Ų148122 Ų12279%0.79164%0.641SS**  trans-85.646.2-171.4-153.517.5000113.7L750L750-D753 PolarHBondContact O-N 3.08Å
754V31Very low37.9Very low93 Ų93118 Ų11856%0.56462%0.62SS**SBendtrans-126117177.2177.10000109.1L752L752-V754 PolarHBondContact O-N 2.91Å
755Q28.6Very low39.3Very low175 Ų175109.2 Ų109.282%0.81858%0.582SS**SBendtrans68.247.5171.8-59-73.8-3.900116.9
756N29.3Very low41.5Very low126 Ų126105.2 Ų105.267%0.67455%0.553SS**  trans-152.737.7156.6-115.6-39.7000118.1T758N756-T758 PolarHBondContact O-N 3.35Å; N756-T758 PolarHBondContact OD1-OG1 3.33Å
757S29.7Very low43.4Very low120 Ų120100.9 Ų100.984%0.83953%0.53SS*.  trans-74.255.7160.264.90000111.3
758T29.4Very low45.6Very low95 Ų9595.1 Ų95.158%0.58350%0.499SS*.  trans-91.1122.2177.548.70000110N756 L760N756-T758 PolarHBondContact O-N 3.35Å; N756-T758 PolarHBondContact OD1-OG1 3.33Å; T758-L760 PolarHBondContact O-N 2.72Å
759D33.6Very low47.6Very low150 Ų15090.4 Ų90.480%0.80248%0.475SS*.  trans-57.1100.3-173.3-65.6-58.7000112.6K761D759-K761 VanDerWaalsContact C-N 3.31Å; D759-K761 PolarHBondContact O-N 3.21Å
760L37.9Very low49.8Very low157 Ų15789.3 Ų89.382%0.82247%0.468SS*.  trans-67.191.3168.4-75.2176.7000109T758 L762T758-L760 PolarHBondContact O-N 2.72Å; L760-L762 VanDerWaalsContact C-N 3.34Å; L760-L762 WeakPolarHBondContact O-CD1 3.4Å; L760-L762 PolarHBondContact O-N 2.94Å
761K44.4Very low51.8Low195 Ų19584.4 Ų84.485%0.84844%0.442SS*.  trans-62.892.2174.9-68.1-178.5-179.7179.10110D759D759-K761 VanDerWaalsContact C-N 3.31Å; D759-K761 PolarHBondContact O-N 3.21Å
762L47.2Very low53.7Low82 Ų8282.6 Ų82.643%0.42943%0.432SS..PPolyproline II helixtrans-54145.4170.5-69.8106.1000110N736 L738 L760N736-L762 HydrophobicContact CB-CD2 4.35Å; L738-L762 HydrophobicContact CD2-CD2 3.77Å; L760-L762 VanDerWaalsContact C-N 3.34Å; L760-L762 WeakPolarHBondContact O-CD1 3.4Å; L760-L762 PolarHBondContact O-N 2.94Å
763K54.2Low55.6Low183 Ų18382 Ų8280%0.79643%0.43SS*.PPolyproline II helixtrans-74.2143.9164.2-67.8177.6-178.9173.40108.3T734T734-K763 WeakPolarHBondContact CG2-O 3.27Å
764N60.3Low57.8Low61 Ų6175.1 Ų75.133%0.32639%0.393SS..PPolyproline II helixtrans-83146.4178.5-51.5-28.1000111.5L766 N880N764-L766 VanDerWaalsContact CB-O 3.3Å; N764-L766 WeakPolarHBondContact CB-O 3.15Å; N764-N880 VanDerWaalsContact ND2-CG 3.35Å; N764-N880 PolarHBondContact ND2-ND2 2.89Å; N764-N880 PolarHBondContact ND2-OD1 3.39Å; N764-N880 PolarHBondContact OD1-ND2 3.23Å; N764-N880 PolarHBondContact OD1-OD1 3.47Å
765G67.1Low60.3Low1 Ų172.8 Ų72.81%0.0138%0.381CS..SBendtrans-76.6-48.2167.300000111.8K603 E730 T734K603-G765 WeakPolarHBondContact CD-O 3.4Å; K603-G765 PolarHBondContact NZ-O 3.47Å; E730-G765 WeakPolarHBondContact OE2-CA 3.43Å; E730-G765 PolarHBondContact OE2-N 3.38Å; T734-G765 VanDerWaalsContact CG2-N 3.26Å
766L75.3Confident62.9Low6 Ų665.8 Ų65.83%0.03135%0.349CS..  trans-92.9147.5176-64.3175.9000113.2K603 A605 F714 L716 L729 E730 L733 N764 I769K603-L766 HydrophobicContact CB-CD2 4.47Å; A605-L766 HydrophobicContact CB-CD1 4.08Å; F714-L766 HydrophobicContact CE2-CD2 4.24Å; L716-L766 HydrophobicContact CD1-CD2 4.27Å; L729-L766 HydrophobicContact CD2-CD1 3.78Å; L729-L766 HydrophobicContact CD2-CD2 4.25Å; L729-L766 HydrophobicContact CD2-CG 3.93Å; E730-L766 PolarHBondContact OE1-N 2.89Å; L733-L766 HydrophobicContact CD1-CD2 3.9Å; L733-L766 HydrophobicContact CD1-CG 4.13Å; N764-L766 VanDerWaalsContact CB-O 3.3Å; N764-L766 WeakPolarHBondContact CB-O 3.15Å; L766-I769 HydrophobicContact CD1-CD1 4.15Å; L766-I769 HydrophobicContact CD1-CG1 4.34Å
767D73.5Confident65.4Low36 Ų3663.5 Ų63.519%0.19333%0.334CS..SBendtrans-88-48.3-178.6-80.9-35.9000112.3K603 N882 F924 K928K603-D767 HydrophobicContact CB-CB 4.12Å; K603-D767 PolarHBondContact N-OD2 3.38Å; K603-D767 WeakPolarHBondContact O-CB 3.43Å; K603-D767 PolarHBondContact O-N 2.88Å; K603-D767 VanDerWaalsContact O-N 3.16Å; D767-N882 PolarHBondContact O-ND2 2.89Å; D767-F924 HydrophobicContact CB-CE1 3.72Å; D767-F924 HydrophobicContact CB-CZ 3.71Å; D767-F924 WeakPolarHBondContact O-CE2 3.45Å; D767-F924 VanDerWaalsContact O-CZ 3.3Å; D767-F924 WeakPolarHBondContact O-CZ 3.48Å; D767-K928 IonicContact OD1-NZ 2.66Å; D767-K928 IonicContact OD2-NZ 3.1Å; D767-K928 PolarHBondContact OD2-NZ 3.37Å
768L78.3Confident67.8Low13 Ų1360.2 Ų60.27%0.06831%0.307CS..EExtended strand (participates in β ladder)trans-144.2141.3-173.4176.365.9000110.6K603 L604 A605 I770 N882 C884 F924K603-L768 PolarHBondContact O-N 3Å; L604-L768 WeakPolarHBondContact CA-O 3.36Å; L604-L768 HydrophobicContact CD1-CB 3.8Å; L604-L768 HydrophobicContact CD1-CD2 3.61Å; L604-L768 HydrophobicContact CD1-CG 3.63Å; A605-L768 PolarHBondContact N-O 3.25Å; L768-I770 HydrophobicContact CD2-CD1 4.2Å; L768-I770 HydrophobicContact CD2-CG1 4.3Å; L768-I770 HydrophobicContact CG-CG1 4.23Å; L768-N882 WeakPolarHBondContact CD1-O 3.47Å; L768-C884 HydrophobicContact CD1-CB 4.41Å; L768-F924 HydrophobicContact CB-CD1 4.4Å; L768-F924 HydrophobicContact CB-CD2 4.1Å; L768-F924 HydrophobicContact CB-CE1 4.45Å; L768-F924 HydrophobicContact CB-CE2 4.14Å; L768-F924 HydrophobicContact CB-CG 4.24Å; L768-F924 HydrophobicContact CB-CZ 4.33Å; L768-F924 HydrophobicContact CD1-CD2 4.11Å; L768-F924 HydrophobicContact CD2-CB 3.88Å; L768-F924 HydrophobicContact CD2-CD2 4.28Å; L768-F924 HydrophobicContact CD2-CG 3.98Å; L768-F924 HydrophobicContact CG-CD2 4.39Å
769I81.1Confident70.3Confident12 Ų1255.7 Ų55.76%0.06228%0.279CS..EExtended strand (participates in β ladder)trans-128.4124.7177-56.1179000108.4A605 L607 L766 Y876 L883 C884A605-I769 HydrophobicContact CB-CG1 4.33Å; A605-I769 HydrophobicContact CB-CG2 4.4Å; A605-I769 WeakPolarHBondContact O-CA 3.4Å; L607-I769 HydrophobicContact CD1-CG2 3.85Å; L607-I769 HydrophobicContact CG-CG2 4.35Å; L766-I769 HydrophobicContact CD1-CD1 4.15Å; L766-I769 HydrophobicContact CD1-CG1 4.34Å; I769-Y876 HydrophobicContact CD1-CD1 3.4Å; I769-Y876 VanDerWaalsContact CD1-CD1 3.4Å; I769-Y876 HydrophobicContact CD1-CD2 3.87Å; I769-Y876 HydrophobicContact CD1-CE1 3.38Å; I769-Y876 HydrophobicContact CD1-CE2 3.84Å; I769-Y876 HydrophobicContact CD1-CG 3.65Å; I769-L883 HydrophobicContact CB-CD1 4.08Å; I769-L883 HydrophobicContact CG2-CD1 3.82Å; I769-C884 PolarHBondContact O-N 3.25Å
770I83.4Confident72.7Confident0 Ų049.2 Ų49.20%025%0.245CC..EExtended strand (participates in β ladder)trans-111.7121.6-179.8-61.2178.7000109.1L604 A605 L607 L768 L772 C884 V886 I917 I921L604-I770 HydrophobicContact CD1-CD1 4Å; L604-I770 HydrophobicContact CD1-CG1 4.14Å; L604-I770 HydrophobicContact CD2-CD1 4.4Å; A605-I770 PolarHBondContact O-N 3.4Å; L607-I770 PolarHBondContact N-O 3.21Å; L768-I770 HydrophobicContact CD2-CD1 4.2Å; L768-I770 HydrophobicContact CD2-CG1 4.3Å; L768-I770 HydrophobicContact CG-CG1 4.23Å; I770-L772 HydrophobicContact CG2-CD2 4.16Å; I770-C884 CarbonylContact C-O 3.46Å; I770-C884 WeakPolarHBondContact CA-O 3.18Å; I770-V886 HydrophobicContact CG2-CG2 4.06Å; I770-I917 HydrophobicContact CD1-CG2 4.12Å; I770-I921 HydrophobicContact CD1-CG1 4.14Å
771L84.1Confident74.8Confident11 Ų1145.7 Ų45.76%0.05822%0.223CC..EExtended strand (participates in β ladder)trans-95.7123.8167.9178.673.1000109.9L607 D773 F865 W869 C884 V885 V886L607-L771 HydrophobicContact CB-CD1 4.43Å; L771-D773 HydrophobicContact CD2-CB 4.47Å; L771-F865 HydrophobicContact CD1-CZ 4.05Å; L771-W869 HydrophobicContact CB-CH2 4.43Å; L771-W869 HydrophobicContact CB-CZ2 4.35Å; L771-W869 HydrophobicContact CD1-CD2 4.5Å; L771-W869 HydrophobicContact CD1-CH2 3.94Å; L771-W869 HydrophobicContact CD1-CZ2 3.83Å; L771-W869 HydrophobicContact CD1-CZ3 4.3Å; L771-W869 HydrophobicContact CD2-CH2 4.44Å; L771-W869 HydrophobicContact CD2-CZ2 3.63Å; L771-W869 HydrophobicContact CG-CH2 4.49Å; L771-W869 HydrophobicContact CG-CZ2 4.13Å; L771-C884 PolarHBondContact N-O 3.37Å; L771-V885 HydrophobicContact CB-CG2 4.3Å; L771-V885 HydrophobicContact CD2-CG1 4.13Å; L771-V885 HydrophobicContact CD2-CG2 4.17Å; L771-V886 PolarHBondContact O-N 3.21Å
772L84Confident76.5Confident0 Ų041.2 Ų41.20%020%0.2CC..EExtended strand (participates in β ladder)trans-89.8105.6163.5-58.4-171.2000109.7L606 L607 G608 K614 I617 I770 V886 L888 I917L606-L772 HydrophobicContact CD2-CD1 3.79Å; L606-L772 HydrophobicContact CD2-CG 3.93Å; L607-L772 PolarHBondContact O-N 3.44Å; G608-L772 WeakPolarHBondContact CA-O 3.33Å; K614-L772 HydrophobicContact CG-CD1 4.29Å; I617-L772 HydrophobicContact CD1-CD1 3.68Å; I770-L772 HydrophobicContact CG2-CD2 4.16Å; L772-V886 HydrophobicContact CD2-CB 4.11Å; L772-V886 HydrophobicContact CD2-CG1 4.44Å; L772-L888 HydrophobicContact CB-CD1 3.92Å; L772-L888 HydrophobicContact CD1-CD1 4.4Å; L772-L888 HydrophobicContact CD2-CD1 4.39Å; L772-L888 HydrophobicContact CG-CD1 4.47Å; L772-I917 HydrophobicContact CD1-CD1 4.41Å; L772-I917 HydrophobicContact CD2-CD1 3.68Å; L772-I917 HydrophobicContact CD2-CG1 4.24Å
773D80.5Confident78Confident59 Ų5937.9 Ų37.932%0.31618%0.183SC..EExtended strand (participates in β ladder)trans-95.3142.4171.3-159.38.4000111.5K609 L771 V886 L888K609-D773 VanDerWaalsContact CE-OD1 3.27Å; K609-D773 WeakPolarHBondContact CE-OD1 3.5Å; K609-D773 IonicContact NZ-OD1 2.74Å; K609-D773 PolarHBondContact NZ-OD1 2.92Å; L771-D773 HydrophobicContact CD2-CB 4.47Å; D773-V886 PolarHBondContact N-O 3.17Å; D773-V886 VanDerWaalsContact N-O 3.14Å; D773-L888 WeakPolarHBondContact O-CB 3.28Å; D773-L888 PolarHBondContact O-N 2.86Å
774I80.3Confident79.2Confident3 Ų329.2 Ų29.22%0.01515%0.146CC..  trans-147.1139.8-176.2-53.7-170.9000107.3K609 S612 L778 I779 L888K609-I774 WeakPolarHBondContact CD-O 3.32Å; K609-I774 WeakPolarHBondContact CE-O 3.39Å; K609-I774 PolarHBondContact NZ-O 3.11Å; S612-I774 VanDerWaalsContact CA-CD1 3.44Å; S612-I774 VanDerWaalsContact CB-CD1 3.42Å; I774-L778 HydrophobicContact CG2-CB 3.65Å; I774-L778 HydrophobicContact CG2-CD1 3.97Å; I774-L778 HydrophobicContact CG2-CG 4.46Å; I774-I779 HydrophobicContact CB-CD1 4.33Å; I774-I779 HydrophobicContact CB-CG1 4.44Å; I774-I779 HydrophobicContact CG2-CD1 4.5Å; I774-I779 HydrophobicContact CG2-CG1 4.12Å; I774-L888 HydrophobicContact CD1-CD1 3.67Å; I774-L888 HydrophobicContact CG1-CB 4.08Å; I774-L888 HydrophobicContact CG1-CD1 3.54Å; I774-L888 HydrophobicContact CG1-CG 4.32Å
775S84.3Confident79.9Confident44 Ų4430.2 Ų30.231%0.30815%0.148SC..  trans-61.2142.6171.471.80000112E777 L778S775-E777 PolarHBondContact O-N 3.49Å; S775-E777 VanDerWaalsContact O-N 3.11Å; S775-L778 PolarHBondContact O-N 3.48Å; S775-L778 WeakPolarHBondContact OG-CG 3.45Å
776D82.6Confident80.2Confident28 Ų2833.4 Ų33.415%0.1517%0.168CC..Hα-helixtrans-55.2-34.3-179.3-54.7-4.9000111W401 R405 K609 L778 I779 L780W401-D776 PolarHBondContact NE1-OD2 3.37Å; W401-D776 VanDerWaalsContact NE1-OD2 3.14Å; R405-D776 IonicContact NH1-OD2 2.68Å; R405-D776 PolarHBondContact NH1-OD2 2.92Å; K609-D776 IonicContact NZ-OD1 3.43Å; K609-D776 PolarHBondContact NZ-OD1 3.23Å; D776-L778 PolarHBondContact O-N 2.69Å; D776-I779 PolarHBondContact O-N 2.73Å; D776-L780 WeakPolarHBondContact O-CG 3.46Å; D776-L780 PolarHBondContact O-N 2.83Å; D776-L780 VanDerWaalsContact O-N 3.1Å
777E83.5Confident79.8Confident78 Ų7835.8 Ų35.836%0.36418%0.183SC..Hα-helixtrans-61.9-40.2177.3-59.4-159.9159.600114.5F394 K398 S775 I779 L780 K781F394-E777 WeakPolarHBondContact CE2-O 3.36Å; F394-E777 HydrophobicContact CZ-CB 4.4Å; K398-E777 VanDerWaalsContact CE-OE1 3.25Å; K398-E777 WeakPolarHBondContact CE-OE1 3.34Å; K398-E777 IonicContact NZ-OE1 2.72Å; K398-E777 PolarHBondContact NZ-OE1 3.1Å; K398-E777 IonicContact NZ-OE2 2.64Å; S775-E777 PolarHBondContact O-N 3.49Å; S775-E777 VanDerWaalsContact O-N 3.11Å; E777-I779 VanDerWaalsContact C-N 3.26Å; E777-I779 PolarHBondContact O-N 3.26Å; E777-L780 PolarHBondContact O-N 3.04Å; E777-K781 WeakPolarHBondContact O-CG 3.19Å; E777-K781 PolarHBondContact O-N 2.97Å
778L79.4Confident79.6Confident51 Ų5134.6 Ų34.627%0.26718%0.176SC..Hα-helixtrans-68.8-30.9-179.4-72.9169.9000111.2I774 S775 D776 R782 T889 L892I774-L778 HydrophobicContact CG2-CB 3.65Å; I774-L778 HydrophobicContact CG2-CD1 3.97Å; I774-L778 HydrophobicContact CG2-CG 4.46Å; S775-L778 PolarHBondContact O-N 3.48Å; S775-L778 WeakPolarHBondContact OG-CG 3.45Å; D776-L778 PolarHBondContact O-N 2.69Å; L778-R782 WeakPolarHBondContact O-CG 3.34Å; L778-R782 PolarHBondContact O-N 2.94Å; L778-R782 VanDerWaalsContact O-N 3.11Å; L778-T889 HydrophobicContact CD1-CG2 4.32Å; L778-L892 HydrophobicContact CD1-CD1 3.78Å
779I81.4Confident78.9Confident0 Ų037.3 Ų37.30%020%0.196CC..Hα-helixtrans-68.4-47.6173.5-65.5166000109.9K609 L611 I774 D776 E777 K781 R782 V783 L862K609-I779 HydrophobicContact CB-CD1 3.49Å; K609-I779 VanDerWaalsContact CB-CD1 3.49Å; K609-I779 HydrophobicContact CD-CD1 3.66Å; K609-I779 HydrophobicContact CG-CD1 4.2Å; L611-I779 HydrophobicContact CB-CG2 4.29Å; L611-I779 HydrophobicContact CD1-CG2 4.43Å; I774-I779 HydrophobicContact CB-CD1 4.33Å; I774-I779 HydrophobicContact CB-CG1 4.44Å; I774-I779 HydrophobicContact CG2-CD1 4.5Å; I774-I779 HydrophobicContact CG2-CG1 4.12Å; D776-I779 PolarHBondContact O-N 2.73Å; E777-I779 VanDerWaalsContact C-N 3.26Å; E777-I779 PolarHBondContact O-N 3.26Å; I779-K781 VanDerWaalsContact C-N 3.28Å; I779-K781 PolarHBondContact O-N 2.97Å; I779-R782 WeakPolarHBondContact O-CB 3.2Å; I779-R782 PolarHBondContact O-N 3.07Å; I779-R782 VanDerWaalsContact O-N 3.1Å; I779-V783 WeakPolarHBondContact O-CG2 3.32Å; I779-V783 PolarHBondContact O-N 2.74Å; I779-L862 HydrophobicContact CB-CD1 4.31Å; I779-L862 HydrophobicContact CD1-CD1 3.7Å; I779-L862 HydrophobicContact CG2-CD1 3.82Å
780L83.2Confident77.8Confident14 Ų1441.2 Ų41.27%0.07321%0.213CC..Hα-helixtrans-62.3-32.8177.3-62.7177.1000112.8F394 L397 K398 W401 D776 E777 V783 A784F394-L780 HydrophobicContact CD2-CB 4.03Å; F394-L780 HydrophobicContact CE2-CB 3.92Å; L397-L780 HydrophobicContact CB-CD2 4.34Å; K398-L780 HydrophobicContact CB-CD1 4.41Å; W401-L780 HydrophobicContact CB-CD1 3.89Å; W401-L780 HydrophobicContact CG-CD1 4.12Å; D776-L780 WeakPolarHBondContact O-CG 3.46Å; D776-L780 PolarHBondContact O-N 2.83Å; D776-L780 VanDerWaalsContact O-N 3.1Å; E777-L780 PolarHBondContact O-N 3.04Å; L780-V783 PolarHBondContact O-N 2.78Å; L780-A784 PolarHBondContact O-N 3.41Å; L780-A784 VanDerWaalsContact O-N 3.07Å
781K82.2Confident76.4Confident83 Ų8344.6 Ų44.636%0.36123%0.233SC..Hα-helixtrans-64.7-46.4170.1-71.9-176.5-178.7-176.70112.3F394 E777 I779 V783 A784 H785F394-K781 HydrophobicContact CD1-CG 4.46Å; F394-K781 HydrophobicContact CD2-CB 4.38Å; F394-K781 HydrophobicContact CD2-CG 3.49Å; F394-K781 VanDerWaalsContact CD2-CG 3.49Å; F394-K781 HydrophobicContact CE1-CG 4.4Å; F394-K781 HydrophobicContact CE2-CD 4.32Å; F394-K781 HydrophobicContact CE2-CG 3.42Å; F394-K781 VanDerWaalsContact CE2-CG 3.42Å; F394-K781 HydrophobicContact CG-CG 4.04Å; F394-K781 HydrophobicContact CZ-CD 4.34Å; F394-K781 VanDerWaalsContact CZ-CE 3.44Å; F394-K781 HydrophobicContact CZ-CG 3.91Å; E777-K781 WeakPolarHBondContact O-CG 3.19Å; E777-K781 PolarHBondContact O-N 2.97Å; I779-K781 VanDerWaalsContact C-N 3.28Å; I779-K781 PolarHBondContact O-N 2.97Å; K781-V783 PolarHBondContact O-N 3.27Å; K781-A784 PolarHBondContact O-N 2.92Å; K781-A784 VanDerWaalsContact O-N 3.12Å; K781-H785 PolarHBondContact O-CD2 3.49Å; K781-H785 PolarHBondContact O-N 3.42Å
782R80.7Confident74.7Confident101 Ų10146.7 Ų46.738%0.38125%0.253SS..Hα-helixtrans-57.9-36.3175.3-74.1176.6176.2-176.5-0.5111.9L611 S612 L778 I779 T786L611-R782 WeakPolarHBondContact O-CD 3.21Å; L611-R782 PolarHBondContact O-NH1 3.26Å; S612-R782 VanDerWaalsContact C-NH1 3.27Å; S612-R782 PolarHBondContact O-NH1 3.16Å; L778-R782 WeakPolarHBondContact O-CG 3.34Å; L778-R782 PolarHBondContact O-N 2.94Å; L778-R782 VanDerWaalsContact O-N 3.11Å; I779-R782 WeakPolarHBondContact O-CB 3.2Å; I779-R782 PolarHBondContact O-N 3.07Å; I779-R782 VanDerWaalsContact O-N 3.1Å; R782-T786 WeakPolarHBondContact O-CB 3.44Å; R782-T786 VanDerWaalsContact O-CG2 3.3Å; R782-T786 WeakPolarHBondContact O-CG2 3.25Å; R782-T786 PolarHBondContact O-N 2.86Å; R782-T786 VanDerWaalsContact O-N 3.13Å; R782-T786 PolarHBondContact O-OG1 3.45Å
783V79.3Confident72.9Confident11 Ų1152.8 Ų52.87%0.06729%0.285CS..Hα-helixtrans-61.5-55.5171.1-179.90000110.8L397 L611 I779 L780 K781 H785 T786 T787 I858L397-V783 HydrophobicContact CD1-CB 4.05Å; L397-V783 HydrophobicContact CD1-CG1 3.67Å; L611-V783 HydrophobicContact CD1-CG2 3.44Å; L611-V783 VanDerWaalsContact CD1-CG2 3.44Å; I779-V783 WeakPolarHBondContact O-CG2 3.32Å; I779-V783 PolarHBondContact O-N 2.74Å; L780-V783 PolarHBondContact O-N 2.78Å; K781-V783 PolarHBondContact O-N 3.27Å; V783-H785 PolarHBondContact O-N 3.02Å; V783-T786 PolarHBondContact O-N 2.9Å; V783-T786 PolarHBondContact O-OG1 3.5Å; V783-T787 HydrophobicContact CG1-CG2 4.36Å; V783-T787 WeakPolarHBondContact O-CG2 3.4Å; V783-T787 PolarHBondContact O-N 3.17Å; V783-T787 PolarHBondContact O-OG1 2.85Å; V783-I858 HydrophobicContact CG1-CD1 4.1Å; V783-I858 HydrophobicContact CG2-CD1 4.01Å; V783-I858 HydrophobicContact CG2-CG2 3.98Å
784A79.4Confident71.3Confident1 Ų155.1 Ų55.11%0.00830%0.297CS..Hα-helixtrans-53.9-54-177.900000112.4K393 F394 L780 K781 T786 T787 I788K393-A784 HydrophobicContact CB-CB 4.45Å; F394-A784 HydrophobicContact CB-CB 4.03Å; L780-A784 PolarHBondContact O-N 3.41Å; L780-A784 VanDerWaalsContact O-N 3.07Å; K781-A784 PolarHBondContact O-N 2.92Å; K781-A784 VanDerWaalsContact O-N 3.12Å; A784-T786 PolarHBondContact O-N 2.92Å; A784-T787 PolarHBondContact O-N 3.4Å; A784-T787 PolarHBondContact O-OG1 3.4Å; A784-I788 PolarHBondContact O-N 3.46Å
785H74.1Confident69.5Low82 Ų8260.2 Ų60.238%0.3832%0.324SS..Hα-helixtrans-57.5-46.5177.9-66.4-63.4000112.7E390 K781 V783 T787 I788 S789E390-H785 IonicContact OE1-CE1 3.65Å; E390-H785 IonicContact OE1-CG 2.65Å; E390-H785 IonicContact OE1-ND1 2.68Å; E390-H785 PolarHBondContact OE1-ND1 3.42Å; E390-H785 IonicContact OE2-CE1 2.78Å; E390-H785 PolarHBondContact OE2-CE1 3.31Å; E390-H785 IonicContact OE2-ND1 2.66Å; E390-H785 PolarHBondContact OE2-ND1 2.93Å; K781-H785 PolarHBondContact O-CD2 3.49Å; K781-H785 PolarHBondContact O-N 3.42Å; V783-H785 PolarHBondContact O-N 3.02Å; H785-T787 VanDerWaalsContact C-N 3.28Å; H785-T787 PolarHBondContact O-N 2.95Å; H785-I788 PolarHBondContact O-N 2.97Å; H785-S789 PolarHBondContact O-N 3.1Å; H785-S789 PolarHBondContact O-OG 2.95Å
786T73.5Confident67.6Low69 Ų6961.7 Ų61.742%0.42333%0.334SS..Hα-helixtrans-73.2-15.9-177.856.40000114.4R782 V783 A784 K790R782-T786 WeakPolarHBondContact O-CB 3.44Å; R782-T786 VanDerWaalsContact O-CG2 3.3Å; R782-T786 WeakPolarHBondContact O-CG2 3.25Å; R782-T786 PolarHBondContact O-N 2.86Å; R782-T786 VanDerWaalsContact O-N 3.13Å; R782-T786 PolarHBondContact O-OG1 3.45Å; V783-T786 PolarHBondContact O-N 2.9Å; V783-T786 PolarHBondContact O-OG1 3.5Å; A784-T786 PolarHBondContact O-N 2.92Å; T786-K790 WeakPolarHBondContact O-CD 3.46Å; T786-K790 WeakPolarHBondContact O-CG 3.48Å
787T67.6Low65.6Low56 Ų5667.5 Ų67.534%0.34437%0.365SS..Hα-helixtrans-77.5-37.7168.759.30000112.8V783 A784 H785V783-T787 HydrophobicContact CG1-CG2 4.36Å; V783-T787 WeakPolarHBondContact O-CG2 3.4Å; V783-T787 PolarHBondContact O-N 3.17Å; V783-T787 PolarHBondContact O-OG1 2.85Å; A784-T787 PolarHBondContact O-N 3.4Å; A784-T787 PolarHBondContact O-OG1 3.4Å; H785-T787 VanDerWaalsContact C-N 3.28Å; H785-T787 PolarHBondContact O-N 2.95Å
788I68.1Low63.3Low10 Ų1068.4 Ų68.45%0.05138%0.376CS..Hα-helixtrans-81.6-36.8-177.7-76.3165.5000112.5E389 E390 K393 A784 H785 K790 T791E389-I788 HydrophobicContact CB-CD1 3.72Å; E390-I788 HydrophobicContact CB-CD1 4.12Å; E390-I788 HydrophobicContact CG-CB 4.4Å; E390-I788 HydrophobicContact CG-CD1 3.45Å; E390-I788 VanDerWaalsContact CG-CD1 3.45Å; E390-I788 HydrophobicContact CG-CG2 4.42Å; K393-I788 HydrophobicContact CD-CD1 3.82Å; K393-I788 HydrophobicContact CD-CG1 4.09Å; K393-I788 VanDerWaalsContact NZ-CG1 3.34Å; A784-I788 PolarHBondContact O-N 3.46Å; H785-I788 PolarHBondContact O-N 2.97Å; I788-K790 PolarHBondContact O-N 2.78Å; I788-T791 PolarHBondContact O-N 2.93Å; I788-T791 PolarHBondContact O-OG1 2.93Å
789S64Low61.2Low71 Ų7174.5 Ų74.550%0.49740%0.4SS..Hα-helixtrans-60.8-19176.9-54.60000113.2H785H785-S789 PolarHBondContact O-N 3.1Å; H785-S789 PolarHBondContact O-OG 2.95Å
790K57.7Low59Low94 Ų9483.5 Ų83.541%0.40944%0.435SS..Hα-helixtrans-91.6-27.2-179.7-71.7178.9179.6174.50114.3T786 I788 L793 N794T786-K790 WeakPolarHBondContact O-CD 3.46Å; T786-K790 WeakPolarHBondContact O-CG 3.48Å; I788-K790 PolarHBondContact O-N 2.78Å; K790-L793 PolarHBondContact O-N 2.81Å; K790-N794 PolarHBondContact O-N 2.74Å
791T54.9Low56.3Low70 Ų7088.7 Ų88.743%0.42947%0.468SS..Hα-helixtrans-68.5-40.117740.90000111.2I788 L793 N794 D795I788-T791 PolarHBondContact O-N 2.93Å; I788-T791 PolarHBondContact O-OG1 2.93Å; T791-L793 VanDerWaalsContact C-N 3.27Å; T791-L793 PolarHBondContact O-N 3.18Å; T791-N794 PolarHBondContact O-N 2.94Å; T791-D795 PolarHBondContact O-N 3Å; T791-D795 VanDerWaalsContact O-N 3.08Å
792A48.2Very low53.9Low56 Ų5692.1 Ų92.146%0.46350%0.496SS..Hα-helixtrans-60.1-31.7177.300000114.2S796A792-S796 PolarHBondContact O-OG 3.47Å
793L47.3Very low51.4Low128 Ų12891.9 Ų91.967%0.6752%0.515SS*.Hα-helixtrans-79.8-18.3176.4-83.7166.6000114K790 T791 S796K790-L793 PolarHBondContact O-N 2.81Å; T791-L793 VanDerWaalsContact C-N 3.27Å; T791-L793 PolarHBondContact O-N 3.18Å; L793-S796 PolarHBondContact O-OG 3.05Å
794N46.6Very low49.1Very low108 Ų108100.2 Ų100.258%0.57855%0.553SS**Hα-helixtrans-93.8-38.1179.5-71.9-6.8000112K790 T791 S796 L797K790-N794 PolarHBondContact O-N 2.74Å; T791-N794 PolarHBondContact O-N 2.94Å; N794-S796 PolarHBondContact O-N 3.3Å; N794-L797 PolarHBondContact O-N 3Å
795D42.4Very low46.6Very low109 Ų109108.5 Ų108.558%0.58359%0.592SS**THydrogen-bonded Turntrans-67.8-16178.9-78.9-23.7000113.9T791 L797T791-D795 PolarHBondContact O-N 3Å; T791-D795 VanDerWaalsContact O-N 3.08Å; D795-L797 VanDerWaalsContact C-N 3.29Å
796S44.1Very low44.5Very low75 Ų75111.6 Ų111.652%0.52461%0.61SS.*THydrogen-bonded Turntrans-77.5-12.9171.529.80000113.3A792 L793 N794A792-S796 PolarHBondContact O-OG 3.47Å; L793-S796 PolarHBondContact O-OG 3.05Å; N794-S796 PolarHBondContact O-N 3.3Å
797L40.3Very low42.6Very low150 Ų150113 Ų11379%0.78562%0.62SS**THydrogen-bonded Turntrans-102.4-17.8179.6-149.773.7000113.6N794 D795N794-L797 PolarHBondContact O-N 3Å; D795-L797 VanDerWaalsContact C-N 3.29Å
798T35.3Very low40.7Very low97 Ų97121.6 Ų121.660%0.59565%0.648SS**SBendtrans-98.80.3-17051.30000115.3
799K35.8Very low38.8Very low180 Ų180127.7 Ų127.778%0.78368%0.681SS**SBendtrans-97.45.3-178-97.6177.5178.6170.40116.3
800Y34.1Very low37.1Very low189 Ų189132.3 Ų132.374%0.74170%0.7SS**  trans-129.275.4-178.4-66-74.7000112.4
801T27.8Very low35.6Very low122 Ų122134.1 Ų134.175%0.74871%0.71SS**  trans-158.760.8169-80000114.6
802T30.1Very low34.3Very low156 Ų156137.5 Ų137.596%0.95773%0.73SS**SBendtrans-170.5153.9148.910.80000108.3
803A27.9Very low33.3Very low95 Ų95141.6 Ų141.679%0.78574%0.744SS**  trans-127.5154.7-149.900000116.2
804E31.4Very low32.4Very low186 Ų186143.2 Ų143.287%0.86975%0.752SS**  trans169103.5143.8-94167.6-163.800106.3
805E27.2Very low31.4Very low176 Ų176146.3 Ų146.382%0.82276%0.763SS**  58.5129.596.8-69.3-166.3-163.300114.3
806I31.3Very low30.6Very low146 Ų146146.6 Ų146.675%0.74977%0.768SS**  cis-151163.519.3-122.1157.7000111
807P33.2Very low29.7Very low99 Ų99149.4 Ų149.464%0.64378%0.778SS**  trans-108.9176.7-156.141.6-37.7000117.1
808Y27.9Very low29.1Very low237 Ų237148.1 Ų148.193%0.92978%0.776SS**  trans-142.8133.4153.7-104.2-80.1000111.9
809N26.6Very low28.7Very low137 Ų137148.6 Ų148.673%0.73378%0.783SS**  trans-102.5153.1-179.4-86.6-10.1000112.8
810N29.1Very low28.3Very low169 Ų169144.9 Ų144.990%0.90478%0.78SS**  trans-166.8129.7130.4-99.1-21.7000110.9
811Q26.2Very low28.1Very low132 Ų132142.4 Ų142.462%0.61778%0.78SS**  trans-95.4148.6173.6-64.1169-87.700110.9
812V27.5Very low28.1Very low141 Ų141144.6 Ų144.686%0.85578%0.782SS**  trans-145.5131.9148.1-177.90000107.7
813D27.6Very low28.2Very low141 Ų141142.8 Ų142.875%0.75477%0.765SS**  trans-75.2159.2-175.7-54.9-75.1000114.4
814I27.1Very low28.3Very low162 Ų162145.9 Ų145.983%0.83176%0.763SS**  trans-112.1136.8170-66.4176.7000109.8
815Q26.5Very low28.1Very low174 Ų174143.6 Ų143.681%0.81376%0.762SS**  trans-110.5130.7168.4-82.1-166.7-2.200112.3
816T24.7Very low28.1Very low114 Ų114142 Ų14270%0.69976%0.756SS**  trans76145.6155.767.10000121.7
817N25.4Very low28Very low134 Ų134140.7 Ų140.772%0.71775%0.75SS**  trans82.199.9150-61.3-25.6000121.3
818T29.4Very low27.7Very low123 Ų123142 Ų14276%0.75575%0.752SS**  trans55.7132.2132.952.30000121.9
819S25.5Very low27.8Very low107 Ų107138 Ų13875%0.74875%0.747SS**SBendtrans76.4122.6156.2-52.90000117.3
820S28.5Very low27.8Very low103 Ų103137.2 Ų137.272%0.7275%0.752SS**SBendtrans40.286.9151.959.10000117.8
821N29.3Very low27.7Very low136 Ų136138 Ų13873%0.72775%0.75SS**  trans152.9163.3131-76.5-14.1000113.5
822Q27.7Very low27.7Very low169 Ų169137.6 Ų137.679%0.7976%0.757SS**  trans80.7163161.3-72.4176.32.900119.6
823I32.1Very low27.7Very low118 Ų118138.2 Ų138.261%0.60576%0.755SS**  trans-138.7147.2-146.8-77172.7000111
824H31.2Very low27.5Very low159 Ų159138.8 Ų138.874%0.73675%0.753SS**  trans58.5116.6166.2-67.2-33.3000120.5
825T27.1Very low27.5Very low138 Ų138137.1 Ų137.185%0.84775%0.746SS**  171160.8108.131.50000108.4
826M27.3Very low27.7Very low143 Ų143138.2 Ų138.270%0.70475%0.751SS**  cis176.9123.4-38.2-108.5-67.4-170.100104.7
827N28.3Very low27.7Very low118 Ų118140.4 Ų140.463%0.63176%0.759SS**  trans46.4130.8152-16025.4000122.4
828N26.5Very low27.7Very low128 Ų128139 Ų13968%0.68476%0.759SS**  -169.4150128.7-100.2-23.2000112.6
829N29.7Very low27.5Very low152 Ų152139.7 Ų139.781%0.81376%0.764SS**  trans-99.6151.3176.4-65.1-27.7000111.9
830S27.7Very low27.6Very low121 Ų121145.4 Ų145.485%0.84677%0.77SS**  trans-155.6150.4149.6590000110.6
831E25.4Very low27.5Very low184 Ų184144.9 Ų144.986%0.8677%0.766SS**  trans-93.3154.9-163.7-67.7159.7117.900114.6
832V28.2Very low27.3Very low125 Ų125145.1 Ų145.176%0.75877%0.768SS**  trans43.2118.4143.3178.40000119.2
833D25.7Very low27.3Very low153 Ų153143.3 Ų143.382%0.81876%0.764SS**  -153.6169.8116.1-129.6-27.8000112.7
834E25.1Very low27.1Very low154 Ų154145.8 Ų145.872%0.7277%0.77SS**  trans-89.7167.9-152.6-50-176.8140.900119.1
835N25.9Very low27Very low127 Ų127145.2 Ų145.268%0.67977%0.773SS**  trans67.592.9147-70.9-50.9000120.6
836Q30.2Very low27.2Very low196 Ų196147.3 Ų147.392%0.91677%0.766SS**  -167.5152.6111.6-107.3160.586.400114.9
837N25.7Very low27.4Very low161 Ų161143.2 Ų143.286%0.86175%0.752SS**  trans-85.6128.4-170.5-62.4-61.5000113.9
838S26Very low27.5Very low103 Ų103142.4 Ų142.472%0.7275%0.753SS**  trans-167.283.4143.644.30000115Y840S838-Y840 PolarHBondContact O-N 3.48Å; S838-Y840 VanDerWaalsContact O-N 3.11Å
839T25.3Very low27.8Very low139 Ų139145.3 Ų145.385%0.85376%0.756SS**  trans4356.3132.8-25.70000119.8
840Y26.4Very low28.3Very low227 Ų227142.9 Ų142.989%0.8974%0.742SS**  trans-129.1120.7150.8-91.6-87.9000109.4S838S838-Y840 PolarHBondContact O-N 3.48Å; S838-Y840 VanDerWaalsContact O-N 3.11Å
841S27.8Very low28.6Very low91 Ų91140 Ų14064%0.63672%0.717SS**  trans-120.5109.6-178.8176.40000109N843S841-N843 PolarHBondContact O-N 2.85Å; S841-N843 PolarHBondContact OG-ND2 2.92Å
842D25.1Very low29Very low142 Ų142138.7 Ų138.776%0.75971%0.711SS**  trans-75.668.9177.7-76.3-52.5000111.7F844D842-F844 PolarHBondContact O-N 2.8Å
843N27.9Very low29.5Very low131 Ų131139.8 Ų139.870%0.70171%0.707SS**  trans-81.666.2174-90.5-30.9000112S841S841-N843 PolarHBondContact O-N 2.85Å; S841-N843 PolarHBondContact OG-ND2 2.92Å
844F26.8Very low30.3Very low169 Ų169134.1 Ų134.174%0.74168%0.678SS**  trans-10019.3164.9-87.3-69.1000113.4D842 Y846D842-F844 PolarHBondContact O-N 2.8Å; F844-Y846 PolarHBondContact O-N 2.89Å; F844-Y846 VanDerWaalsContact O-N 3.1Å
845N29.4Very low31.2Very low148 Ų148135.6 Ų135.679%0.79169%0.685SS**  trans-73.897.3173.2-84.6-30.9000111.8S847N845-S847 PolarHBondContact O-N 3.24Å
846Y31.8Very low32.4Very low181 Ų181131.6 Ų131.671%0.7167%0.674SS**  trans-60.5122155.5-89.3-84.4000109.1F844 P848F844-Y846 PolarHBondContact O-N 2.89Å; F844-Y846 VanDerWaalsContact O-N 3.1Å; Y846-P848 WeakPolarHBondContact O-CD 3.19Å
847S31.2Very low34Very low58 Ų58125.9 Ų125.941%0.40665%0.65SS.*  trans-55.4122.7173.31780000110.5N845 Y849 I850N845-S847 PolarHBondContact O-N 3.24Å; S847-Y849 PolarHBondContact O-N 2.66Å; S847-Y849 VanDerWaalsContact O-N 3.13Å; S847-I850 PolarHBondContact O-N 2.84Å
848P30.2Very low36Very low100 Ų100119.9 Ų119.965%0.64962%0.617SS**THydrogen-bonded Turntrans-58.9-28.1-176.5-27.936000114.2Y846 I850 L851Y846-P848 WeakPolarHBondContact O-CD 3.19Å; P848-I850 PolarHBondContact O-N 2.79Å; P848-L851 PolarHBondContact O-N 2.75Å
849Y32.9Very low38.1Very low189 Ų189116.2 Ų116.274%0.74159%0.591SS**Hα-helixtrans-66-33.7-174.6-98.5-90.4000114.2S847 L851S847-Y849 PolarHBondContact O-N 2.66Å; S847-Y849 VanDerWaalsContact O-N 3.13Å; Y849-L851 PolarHBondContact O-N 2.87Å; Y849-L851 VanDerWaalsContact O-N 3.11Å
850I39.1Very low40.3Very low102 Ų102114.7 Ų114.752%0.52357%0.574SS.*Hα-helixtrans-71.5-10-174.4-63.7176.8000112.2S847 P848 T854S847-I850 PolarHBondContact O-N 2.84Å; P848-I850 PolarHBondContact O-N 2.79Å; I850-T854 WeakPolarHBondContact O-CG2 3.29Å
851L34.3Very low42.6Very low61 Ų61110.1 Ų110.132%0.31956%0.555SS.*Hα-helixtrans-112.8-21.2-172.1-75161.5000115.2P848 Y849 E853 T854P848-L851 PolarHBondContact O-N 2.75Å; Y849-L851 PolarHBondContact O-N 2.87Å; Y849-L851 VanDerWaalsContact O-N 3.11Å; L851-E853 VanDerWaalsContact C-N 3.32Å; L851-E853 PolarHBondContact O-N 3.2Å; L851-T854 HydrophobicContact CD2-CG2 4.35Å; L851-T854 PolarHBondContact O-N 2.91Å; L851-T854 VanDerWaalsContact O-N 3.1Å; L851-T854 PolarHBondContact O-OG1 2.99Å
852Q35Very low45.1Very low156 Ų156106 Ų10673%0.72953%0.526SS*.Hα-helixtrans-65.3-33.2178.6-77.5-176.2-31.700112.8T854Q852-T854 VanDerWaalsContact C-N 3.31Å; Q852-T854 PolarHBondContact O-N 3.42Å
853E38.3Very low47.6Very low148 Ų14899.8 Ų99.869%0.69249%0.493SS*.THydrogen-bonded Turntrans-75.5-15.6173.6-60-174.7156.800113.8L851 Q855 G856L851-E853 VanDerWaalsContact C-N 3.32Å; L851-E853 PolarHBondContact O-N 3.2Å; E853-Q855 VanDerWaalsContact C-N 3.27Å; E853-Q855 PolarHBondContact O-N 3.46Å; E853-G856 PolarHBondContact O-N 3.47Å
854T41.5Very low50.1Low34 Ų3498.1 Ų98.121%0.20948%0.484CS..Hα-helixtrans-78.6-3.5-165.461.40000115.5I850 L851 Q852 G856 I858I850-T854 WeakPolarHBondContact O-CG2 3.29Å; L851-T854 HydrophobicContact CD2-CG2 4.35Å; L851-T854 PolarHBondContact O-N 2.91Å; L851-T854 VanDerWaalsContact O-N 3.1Å; L851-T854 PolarHBondContact O-OG1 2.99Å; Q852-T854 VanDerWaalsContact C-N 3.31Å; Q852-T854 PolarHBondContact O-N 3.42Å; T854-G856 PolarHBondContact O-N 3.43Å; T854-I858 WeakPolarHBondContact O-CD1 3.47Å; T854-I858 WeakPolarHBondContact O-CG1 3.44Å
855Q45.1Very low52.7Low184 Ų18491.9 Ų91.986%0.8646%0.457SS*.Hα-helixtrans-68.2-19.3173.6-65.3-170.6-7.600112.9E853E853-Q855 VanDerWaalsContact C-N 3.27Å; E853-Q855 PolarHBondContact O-N 3.46Å
856G50.3Low55.1Low43 Ų4388 Ų8844%0.44344%0.436SS..Hα-helixtrans-97-53.1175.500000115.4E853 T854 I858 P859E853-G856 PolarHBondContact O-N 3.47Å; T854-G856 PolarHBondContact O-N 3.43Å; G856-I858 PolarHBondContact O-N 2.88Å; G856-P859 WeakPolarHBondContact O-CD 3.38Å
857N63.6Low57.4Low77 Ų7784.8 Ų84.841%0.41243%0.427SS..Hα-helixtrans-96.47.4-148.6-57.61.9000115.5E860 R861N857-E860 PolarHBondContact O-N 2.93Å; N857-R861 PolarHBondContact O-N 2.83Å; N857-R861 VanDerWaalsContact O-N 3.12Å
858I68.3Low59.8Low35 Ų3582.7 Ų82.718%0.17941%0.412CS..Hα-helixtrans-61.2-49.4176.3-59.9171.2000113L611 V783 T854 G856 E860 R861 L862L611-I858 HydrophobicContact CD1-CD1 4.39Å; L611-I858 HydrophobicContact CD1-CG2 4.18Å; V783-I858 HydrophobicContact CG1-CD1 4.1Å; V783-I858 HydrophobicContact CG2-CD1 4.01Å; V783-I858 HydrophobicContact CG2-CG2 3.98Å; T854-I858 WeakPolarHBondContact O-CD1 3.47Å; T854-I858 WeakPolarHBondContact O-CG1 3.44Å; G856-I858 PolarHBondContact O-N 2.88Å; I858-E860 VanDerWaalsContact C-N 3.26Å; I858-E860 PolarHBondContact O-N 2.71Å; I858-R861 PolarHBondContact O-N 3.1Å; I858-L862 PolarHBondContact O-N 3.49Å; I858-L862 VanDerWaalsContact O-N 3.16Å
859P69.4Low62.3Low25 Ų2579.7 Ų79.716%0.16239%0.388CS..Hα-helixtrans-55.9-39.7175.118.4-32.5000112.5F400 W401 G856 L862 V863F400-P859 HydrophobicContact CD1-CG 4.36Å; F400-P859 HydrophobicContact CE1-CB 4.18Å; F400-P859 HydrophobicContact CE1-CG 3.84Å; W401-P859 HydrophobicContact CE3-CB 4.2Å; W401-P859 HydrophobicContact CZ3-CB 4.31Å; G856-P859 WeakPolarHBondContact O-CD 3.38Å; P859-L862 PolarHBondContact O-N 2.9Å; P859-V863 WeakPolarHBondContact O-CB 3.45Å; P859-V863 PolarHBondContact O-N 3.22Å
860E71.4Confident64.6Low107 Ų10774.1 Ų74.150%0.538%0.375SS..Hα-helixtrans-65.4-43.2178.6-58.2-166.2139.100112.6N857 I858 L862 V863 N864N857-E860 PolarHBondContact O-N 2.93Å; I858-E860 VanDerWaalsContact C-N 3.26Å; I858-E860 PolarHBondContact O-N 2.71Å; E860-L862 VanDerWaalsContact C-N 3.27Å; E860-L862 PolarHBondContact O-N 3.25Å; E860-V863 WeakPolarHBondContact O-CA 3.46Å; E860-V863 VanDerWaalsContact O-CB 3.32Å; E860-V863 WeakPolarHBondContact O-CB 3.23Å; E860-V863 VanDerWaalsContact O-CG1 3.26Å; E860-V863 WeakPolarHBondContact O-CG1 3.41Å; E860-V863 PolarHBondContact O-N 2.97Å; E860-V863 VanDerWaalsContact O-N 3.1Å; E860-N864 PolarHBondContact O-N 3.06Å
861R75.9Confident66.7Low131 Ų13175.9 Ų75.949%0.49438%0.379SS..Hα-helixtrans-60.9-36.3174.9-70.3-179.6179.1-175.71.9112.2P610 N857 I858 F865P610-R861 HydrophobicContact CG-CB 4.41Å; N857-R861 PolarHBondContact O-N 2.83Å; N857-R861 VanDerWaalsContact O-N 3.12Å; I858-R861 PolarHBondContact O-N 3.1Å; R861-F865 PolarHBondContact O-N 3.18Å
862L79.3Confident69Low6 Ų673.1 Ų73.13%0.03136%0.364CS..Hα-helixtrans-73.7-33.6175.4-159.2146000111.7W401 P610 I779 I858 P859 E860 I866W401-L862 HydrophobicContact CH2-CB 4.39Å; W401-L862 HydrophobicContact CH2-CD2 3.32Å; W401-L862 HydrophobicContact CH2-CG 4.45Å; W401-L862 HydrophobicContact CZ2-CD2 3.32Å; W401-L862 HydrophobicContact CZ3-CD2 4.15Å; P610-L862 HydrophobicContact CG-CB 3.76Å; P610-L862 HydrophobicContact CG-CD1 4.06Å; P610-L862 HydrophobicContact CG-CG 4.11Å; I779-L862 HydrophobicContact CB-CD1 4.31Å; I779-L862 HydrophobicContact CD1-CD1 3.7Å; I779-L862 HydrophobicContact CG2-CD1 3.82Å; I858-L862 PolarHBondContact O-N 3.49Å; I858-L862 VanDerWaalsContact O-N 3.16Å; P859-L862 PolarHBondContact O-N 2.9Å; E860-L862 VanDerWaalsContact C-N 3.27Å; E860-L862 PolarHBondContact O-N 3.25Å; L862-I866 HydrophobicContact CD2-CD1 3.63Å; L862-I866 HydrophobicContact CD2-CG1 4.39Å; L862-I866 WeakPolarHBondContact O-CG1 3.39Å; L862-I866 PolarHBondContact O-N 2.92Å
863V78.3Confident71.2Confident11 Ų1170 Ų707%0.06735%0.346CS..Hα-helixtrans-62.6-45.2173.91200000112.6W401 R408 P859 E860 I866 Q867W401-V863 HydrophobicContact CH2-CG2 3.96Å; W401-V863 HydrophobicContact CZ3-CG2 3.92Å; R408-V863 VanDerWaalsContact NE-CG2 3.33Å; P859-V863 WeakPolarHBondContact O-CB 3.45Å; P859-V863 PolarHBondContact O-N 3.22Å; E860-V863 WeakPolarHBondContact O-CA 3.46Å; E860-V863 VanDerWaalsContact O-CB 3.32Å; E860-V863 WeakPolarHBondContact O-CB 3.23Å; E860-V863 VanDerWaalsContact O-CG1 3.26Å; E860-V863 WeakPolarHBondContact O-CG1 3.41Å; E860-V863 PolarHBondContact O-N 2.97Å; E860-V863 VanDerWaalsContact O-N 3.1Å; V863-I866 PolarHBondContact O-N 3.46Å; V863-Q867 PolarHBondContact O-N 3.18Å
864N79.3Confident73.1Confident96 Ų9669.8 Ų69.851%0.51334%0.343SS..Hα-helixtrans-68.8-41.5-178.2-72.3-5.7000110.6E860 I866 Q867 S868E860-N864 PolarHBondContact O-N 3.06Å; N864-I866 VanDerWaalsContact C-N 3.33Å; N864-I866 PolarHBondContact O-N 2.66Å; N864-Q867 PolarHBondContact O-N 2.99Å; N864-S868 PolarHBondContact O-N 3.49Å
865F82.2Confident74.9Confident38 Ų3869 Ų6917%0.16734%0.337CS..Hα-helixtrans-56.7-43.6172.9-176.7-93.7000112.3K609 L771 R861 Q867 S868 W869K609-F865 HydrophobicContact CG-CD1 3.85Å; K609-F865 HydrophobicContact CG-CE1 3.76Å; L771-F865 HydrophobicContact CD1-CZ 4.05Å; R861-F865 PolarHBondContact O-N 3.18Å; F865-Q867 PolarHBondContact O-N 3.46Å; F865-S868 PolarHBondContact O-N 2.86Å; F865-W869 HydrophobicContact CE1-CB 4.22Å; F865-W869 HydrophobicContact CE1-CG 4.25Å; F865-W869 HydrophobicContact CE2-CE3 4.28Å; F865-W869 HydrophobicContact CZ-CB 4.34Å; F865-W869 HydrophobicContact CZ-CD2 4.1Å; F865-W869 HydrophobicContact CZ-CE3 4.06Å; F865-W869 HydrophobicContact CZ-CG 4.2Å; F865-W869 WeakPolarHBondContact O-CB 3.42Å; F865-W869 PolarHBondContact O-N 3.35Å
866I80Confident76.4Confident67 Ų6760.5 Ų60.534%0.34430%0.297SS..Hα-helixtrans-63.8-28.4177.2-72.5173.4000112.3W401 L862 V863 N864 P870W401-I866 HydrophobicContact CH2-CD1 4.05Å; W401-I866 HydrophobicContact CZ2-CD1 3.8Å; L862-I866 HydrophobicContact CD2-CD1 3.63Å; L862-I866 HydrophobicContact CD2-CG1 4.39Å; L862-I866 WeakPolarHBondContact O-CG1 3.39Å; L862-I866 PolarHBondContact O-N 2.92Å; V863-I866 PolarHBondContact O-N 3.46Å; N864-I866 VanDerWaalsContact C-N 3.33Å; N864-I866 PolarHBondContact O-N 2.66Å; I866-P870 WeakPolarHBondContact O-CD 3.37Å
867Q80Confident77.5Confident113 Ų11363.8 Ų63.853%0.52830%0.301SS..Hα-helixtrans-84.5-35.3178.6-69.7-177.3-61.300113.6V863 N864 F865V863-Q867 PolarHBondContact O-N 3.18Å; N864-Q867 PolarHBondContact O-N 2.99Å; F865-Q867 PolarHBondContact O-N 3.46Å
868S81.5Confident77.6Confident14 Ų1469.4 Ų69.410%0.09832%0.322CS..Hα-helixtrans-81.7-36.2178.272.20000112.8T721 N864 F865 K871 L872T721-S868 VanDerWaalsContact O-CB 3.25Å; T721-S868 WeakPolarHBondContact O-CB 3.43Å; T721-S868 PolarHBondContact O-OG 2.77Å; N864-S868 PolarHBondContact O-N 3.49Å; F865-S868 PolarHBondContact O-N 2.86Å; S868-K871 PolarHBondContact O-N 3.41Å; S868-L872 PolarHBondContact O-N 2.83Å
869W83Confident76.9Confident37 Ų3770.7 Ų70.714%0.1433%0.327CS..Hα-helixtrans-55.3-42.4-172.5-175.9-112.6000115L607 L771 F865 K871 L872 Y873L607-W869 HydrophobicContact CB-CZ3 4.47Å; L607-W869 HydrophobicContact CD1-CH2 4.4Å; L607-W869 HydrophobicContact CD1-CZ3 3.85Å; L771-W869 HydrophobicContact CB-CH2 4.43Å; L771-W869 HydrophobicContact CB-CZ2 4.35Å; L771-W869 HydrophobicContact CD1-CD2 4.5Å; L771-W869 HydrophobicContact CD1-CH2 3.94Å; L771-W869 HydrophobicContact CD1-CZ2 3.83Å; L771-W869 HydrophobicContact CD1-CZ3 4.3Å; L771-W869 HydrophobicContact CD2-CH2 4.44Å; L771-W869 HydrophobicContact CD2-CZ2 3.63Å; L771-W869 HydrophobicContact CG-CH2 4.49Å; L771-W869 HydrophobicContact CG-CZ2 4.13Å; F865-W869 HydrophobicContact CE1-CB 4.22Å; F865-W869 HydrophobicContact CE1-CG 4.25Å; F865-W869 HydrophobicContact CE2-CE3 4.28Å; F865-W869 HydrophobicContact CZ-CB 4.34Å; F865-W869 HydrophobicContact CZ-CD2 4.1Å; F865-W869 HydrophobicContact CZ-CE3 4.06Å; F865-W869 HydrophobicContact CZ-CG 4.2Å; F865-W869 WeakPolarHBondContact O-CB 3.42Å; F865-W869 PolarHBondContact O-N 3.35Å; W869-K871 PolarHBondContact O-N 3.29Å; W869-L872 HydrophobicContact CE3-CB 4.05Å; W869-L872 HydrophobicContact CE3-CD1 4.29Å; W869-L872 HydrophobicContact CZ3-CB 4.18Å; W869-L872 PolarHBondContact O-N 2.8Å; W869-Y873 AromaticContact CZ2-CD2 3.89Å; W869-Y873 HydrophobicContact CZ2-CD2 3.89Å; W869-Y873 VanDerWaalsContact O-CB 3.31Å; W869-Y873 WeakPolarHBondContact O-CB 3.42Å; W869-Y873 PolarHBondContact O-N 2.89Å
870P81.8Confident76.1Confident71 Ų7171.4 Ų71.446%0.46133%0.329SS..Hα-helixtrans-62.7-25.2179.2-24.535.5000114.4I866 K874I866-P870 WeakPolarHBondContact O-CD 3.37Å; P870-K874 WeakPolarHBondContact O-CG 3.4Å; P870-K874 PolarHBondContact O-N 3.44Å
871K82.2Confident75.3Confident140 Ų14071.9 Ų71.961%0.60935%0.345SS*.Hα-helixtrans-79-45174.6-62.8-178.7-179.7179.30110.8S868 W869 K874 F875S868-K871 PolarHBondContact O-N 3.41Å; W869-K871 PolarHBondContact O-N 3.29Å; K871-K874 PolarHBondContact O-N 3.29Å; K871-F875 WeakPolarHBondContact O-CB 3.42Å; K871-F875 PolarHBondContact O-N 3.5Å
872L81.8Confident74.7Confident2 Ų268.2 Ų68.21%0.0134%0.335CS..Hα-helixtrans-61.7-45.6175.4-75.4168.1000112.4T721 A726 S868 W869 K874 F875 Y876T721-L872 WeakPolarHBondContact O-CD1 3.38Å; A726-L872 HydrophobicContact CB-CD2 3.5Å; S868-L872 PolarHBondContact O-N 2.83Å; W869-L872 HydrophobicContact CE3-CB 4.05Å; W869-L872 HydrophobicContact CE3-CD1 4.29Å; W869-L872 HydrophobicContact CZ3-CB 4.18Å; W869-L872 PolarHBondContact O-N 2.8Å; L872-K874 PolarHBondContact O-N 2.76Å; L872-F875 WeakPolarHBondContact O-CB 3.44Å; L872-F875 PolarHBondContact O-N 3.14Å; L872-Y876 HydrophobicContact CD2-CE2 4.14Å; L872-Y876 WeakPolarHBondContact O-CD2 3.36Å; L872-Y876 PolarHBondContact O-N 2.61Å
873Y81.4Confident74.2Confident90 Ų9069.8 Ų69.835%0.35334%0.343SS..Hα-helixtrans-57.7-48.8175.8-177.3-93.2000111.1W869 F875 Q877 L883W869-Y873 AromaticContact CZ2-CD2 3.89Å; W869-Y873 HydrophobicContact CZ2-CD2 3.89Å; W869-Y873 VanDerWaalsContact O-CB 3.31Å; W869-Y873 WeakPolarHBondContact O-CB 3.42Å; W869-Y873 PolarHBondContact O-N 2.89Å; Y873-F875 VanDerWaalsContact C-N 3.32Å; Y873-F875 PolarHBondContact O-N 3.49Å; Y873-Q877 HydrophobicContact CE1-CB 4.45Å; Y873-Q877 VanDerWaalsContact CE1-OE1 3.24Å; Y873-Q877 WeakPolarHBondContact O-CB 3.27Å; Y873-Q877 PolarHBondContact O-N 2.83Å; Y873-L883 HydrophobicContact CD2-CD2 3.63Å; Y873-L883 HydrophobicContact CE2-CD2 3.6Å
874K79.3Confident73.9Confident144 Ų14470.4 Ų70.463%0.62635%0.348SS*.Hα-helixtrans-63.6-34176.3-77.7-179.9177.3-177.60113.3P870 K871 L872 K878P870-K874 WeakPolarHBondContact O-CG 3.4Å; P870-K874 PolarHBondContact O-N 3.44Å; K871-K874 PolarHBondContact O-N 3.29Å; L872-K874 PolarHBondContact O-N 2.76Å; K874-K878 VanDerWaalsContact O-CB 3.3Å; K874-K878 WeakPolarHBondContact O-CB 3.17Å; K874-K878 WeakPolarHBondContact O-CG 3.3Å; K874-K878 PolarHBondContact O-N 3.35Å; K874-K878 VanDerWaalsContact O-N 3.09Å
875F79.8Confident73.8Confident19 Ų1969.3 Ų69.38%0.08334%0.344CS..Hα-helixtrans-65.1-57.8176.1178.2-112.8000110.9Y723 A726 E730 K871 L872 Y873 Q877 K878 Q879Y723-F875 HydrophobicContact CD2-CB 4.1Å; Y723-F875 HydrophobicContact CD2-CD2 4.36Å; Y723-F875 HydrophobicContact CD2-CG 4.25Å; Y723-F875 HydrophobicContact CE2-CB 4.03Å; Y723-F875 AromaticContact CE2-CD2 3.64Å; Y723-F875 HydrophobicContact CE2-CD2 3.64Å; Y723-F875 HydrophobicContact CE2-CE2 4.3Å; Y723-F875 AromaticContact CE2-CG 3.97Å; Y723-F875 HydrophobicContact CE2-CG 3.97Å; A726-F875 HydrophobicContact CB-CD1 4.09Å; A726-F875 HydrophobicContact CB-CE1 3.93Å; E730-F875 HydrophobicContact CG-CE1 4.22Å; E730-F875 HydrophobicContact CG-CZ 4.35Å; K871-F875 WeakPolarHBondContact O-CB 3.42Å; K871-F875 PolarHBondContact O-N 3.5Å; L872-F875 WeakPolarHBondContact O-CB 3.44Å; L872-F875 PolarHBondContact O-N 3.14Å; Y873-F875 VanDerWaalsContact C-N 3.32Å; Y873-F875 PolarHBondContact O-N 3.49Å; F875-Q877 PolarHBondContact O-N 3.12Å; F875-K878 PolarHBondContact O-N 3.37Å; F875-Q879 VanDerWaalsContact CZ-OE1 3.32Å; F875-Q879 PolarHBondContact O-N 2.73Å; F875-Q879 VanDerWaalsContact O-N 3.09Å
876Y75.2Confident73.4Confident5 Ų567.9 Ų67.92%0.0234%0.338CS..Hα-helixtrans-69-32-178.7-67.9-58.1000113.3P720 A726 I769 L872 Q879 N880P720-Y876 WeakPolarHBondContact CG-OH 3.49Å; A726-Y876 HydrophobicContact CB-CE2 4.31Å; A726-Y876 WeakPolarHBondContact CB-OH 3.17Å; I769-Y876 HydrophobicContact CD1-CD1 3.4Å; I769-Y876 VanDerWaalsContact CD1-CD1 3.4Å; I769-Y876 HydrophobicContact CD1-CD2 3.87Å; I769-Y876 HydrophobicContact CD1-CE1 3.38Å; I769-Y876 HydrophobicContact CD1-CE2 3.84Å; I769-Y876 HydrophobicContact CD1-CG 3.65Å; L872-Y876 HydrophobicContact CD2-CE2 4.14Å; L872-Y876 WeakPolarHBondContact O-CD2 3.36Å; L872-Y876 PolarHBondContact O-N 2.61Å; Y876-Q879 PolarHBondContact O-N 3.13Å; Y876-N880 PolarHBondContact O-N 2.98Å
877Q73.4Confident73.1Confident112 Ų11267.2 Ų67.252%0.52334%0.335SS..Hα-helixtrans-67.7-37.4173.2-171.6-173.326.200112.5Y873 F875Y873-Q877 HydrophobicContact CE1-CB 4.45Å; Y873-Q877 VanDerWaalsContact CE1-OE1 3.24Å; Y873-Q877 WeakPolarHBondContact O-CB 3.27Å; Y873-Q877 PolarHBondContact O-N 2.83Å; F875-Q877 PolarHBondContact O-N 3.12Å
878K66Low72.5Confident194 Ų19462 Ų6284%0.84331%0.311SS*.Hα-helixtrans-70.4-34.3175.4-84.8-167.9170.2-163.30112.7K874 F875K874-K878 VanDerWaalsContact O-CB 3.3Å; K874-K878 WeakPolarHBondContact O-CB 3.17Å; K874-K878 WeakPolarHBondContact O-CG 3.3Å; K874-K878 PolarHBondContact O-N 3.35Å; K874-K878 VanDerWaalsContact O-N 3.09Å; F875-K878 PolarHBondContact O-N 3.37Å
879Q53.7Low71.7Confident63 Ų6362.7 Ų62.729%0.29432%0.315SS..Hα-helixtrans-85.8-33-178.7-71.2-175.6-26.700113.3F875 Y876F875-Q879 VanDerWaalsContact CZ-OE1 3.32Å; F875-Q879 PolarHBondContact O-N 2.73Å; F875-Q879 VanDerWaalsContact O-N 3.09Å; Y876-Q879 PolarHBondContact O-N 3.13Å
880N52.4Low70.9Confident40 Ų4064.9 Ų64.921%0.21433%0.329CS..  trans-146.2145.4-163.9-87.6-66.8000117.7N764 Y876 N882N764-N880 VanDerWaalsContact ND2-CG 3.35Å; N764-N880 PolarHBondContact ND2-ND2 2.89Å; N764-N880 PolarHBondContact ND2-OD1 3.39Å; N764-N880 PolarHBondContact OD1-ND2 3.23Å; N764-N880 PolarHBondContact OD1-OD1 3.47Å; Y876-N880 PolarHBondContact O-N 2.98Å; N880-N882 VanDerWaalsContact C-N 3.26Å; N880-N882 HydrophobicContact CB-CB 4.5Å; N880-N882 PolarHBondContact O-N 3.01Å
881S54.9Low69.9Low117 Ų11764 Ų6482%0.81832%0.321SS*.SBendtrans-85.510.5170.458.40000114
882N62.8Low68.7Low53 Ų5358.8 Ų58.828%0.28330%0.299SS..  trans-109.17.5-168.4-66.312.7000114.3D767 L768 N880 C884D767-N882 PolarHBondContact O-ND2 2.89Å; L768-N882 WeakPolarHBondContact CD1-O 3.47Å; N880-N882 VanDerWaalsContact C-N 3.26Å; N880-N882 HydrophobicContact CB-CB 4.5Å; N880-N882 PolarHBondContact O-N 3.01Å; N882-C884 PolarHBondContact O-N 3.04Å
883L70.4Confident67.5Low40 Ų4066.8 Ų66.821%0.20933%0.33CS..EExtended strand (participates in β ladder)trans-74.8119.9172.8179.265.3000109.6I769 Y873I769-L883 HydrophobicContact CB-CD1 4.08Å; I769-L883 HydrophobicContact CG2-CD1 3.82Å; Y873-L883 HydrophobicContact CD2-CD2 3.63Å; Y873-L883 HydrophobicContact CE2-CD2 3.6Å
884C71.6Confident66Low24 Ų2468.7 Ų68.716%0.16235%0.347CS..EExtended strand (participates in β ladder)trans-108127.4176.2-162.60000110.7L768 I769 I770 L771 N882 Q920L768-C884 HydrophobicContact CD1-CB 4.41Å; I769-C884 PolarHBondContact O-N 3.25Å; I770-C884 CarbonylContact C-O 3.46Å; I770-C884 WeakPolarHBondContact CA-O 3.18Å; L771-C884 PolarHBondContact N-O 3.37Å; N882-C884 PolarHBondContact O-N 3.04Å; C884-Q920 VanDerWaalsContact SG-CD 3.55Å; C884-Q920 PolarHBondContact SG-OE1 2.65Å; C884-Q920 VanDerWaalsContact SG-OE1 3.33Å
885V77.2Confident64.5Low73 Ų7365.2 Ų65.244%0.44234%0.338SS..EExtended strand (participates in β ladder)trans-108.2116.5178.1178.90000108.9L771L771-V885 HydrophobicContact CB-CG2 4.3Å; L771-V885 HydrophobicContact CD2-CG1 4.13Å; L771-V885 HydrophobicContact CD2-CG2 4.17Å
886V73Confident62.9Low7 Ų770.7 Ų70.74%0.04236%0.361CS..EExtended strand (participates in β ladder)trans-101.8104.9175.2-179.80000107.7I770 L771 L772 D773 L888 L891 E916I770-V886 HydrophobicContact CG2-CG2 4.06Å; L771-V886 PolarHBondContact O-N 3.21Å; L772-V886 HydrophobicContact CD2-CB 4.11Å; L772-V886 HydrophobicContact CD2-CG1 4.44Å; D773-V886 PolarHBondContact N-O 3.17Å; D773-V886 VanDerWaalsContact N-O 3.14Å; V886-L888 HydrophobicContact CG1-CD2 4.05Å; V886-L888 PolarHBondContact O-N 3.49Å; V886-L891 HydrophobicContact CG1-CD1 4.32Å; V886-E916 HydrophobicContact CG1-CG 4.37Å
887N73.7Confident61.2Low53 Ų5379 Ų7928%0.28340%0.398SS..EExtended strand (participates in β ladder)trans-84.2109178.5-171.216.8000110.9T889 D890N887-T889 VanDerWaalsContact C-N 3.34Å; N887-T889 PolarHBondContact ND2-OG1 2.96Å; N887-T889 PolarHBondContact O-N 2.92Å; N887-T889 PolarHBondContact OD1-N 3.2Å; N887-T889 PolarHBondContact OD1-OG1 3.32Å; N887-T889 VanDerWaalsContact OD1-OG1 3.06Å; N887-D890 PolarHBondContact ND2-OD1 2.95Å; N887-D890 VanDerWaalsContact ND2-OD1 3.08Å; N887-D890 PolarHBondContact ND2-OD2 3.13Å
888L68.5Low59.3Low4 Ų480.8 Ų80.82%0.02141%0.411CS..Hα-helixtrans-79.6-16.1-173.8-61.1168.7000112.6L772 D773 I774 V886 D890 L891 L892 V913L772-L888 HydrophobicContact CB-CD1 3.92Å; L772-L888 HydrophobicContact CD1-CD1 4.4Å; L772-L888 HydrophobicContact CD2-CD1 4.39Å; L772-L888 HydrophobicContact CG-CD1 4.47Å; D773-L888 WeakPolarHBondContact O-CB 3.28Å; D773-L888 PolarHBondContact O-N 2.86Å; I774-L888 HydrophobicContact CD1-CD1 3.67Å; I774-L888 HydrophobicContact CG1-CB 4.08Å; I774-L888 HydrophobicContact CG1-CD1 3.54Å; I774-L888 HydrophobicContact CG1-CG 4.32Å; V886-L888 HydrophobicContact CG1-CD2 4.05Å; V886-L888 PolarHBondContact O-N 3.49Å; L888-D890 PolarHBondContact O-N 3.04Å; L888-L891 HydrophobicContact CD2-CD1 4.15Å; L888-L892 WeakPolarHBondContact O-CB 3.06Å; L888-L892 WeakPolarHBondContact O-CD1 3.37Å; L888-L892 WeakPolarHBondContact O-CG 3.42Å; L888-L892 PolarHBondContact O-N 2.7Å; L888-L892 VanDerWaalsContact O-N 3.15Å; L888-V913 HydrophobicContact CD2-CB 4.23Å; L888-V913 HydrophobicContact CD2-CG1 3.57Å; L888-V913 HydrophobicContact CD2-CG2 3.66Å
889T64.3Low57.6Low29 Ų2978.8 Ų78.818%0.17841%0.41CS..Hα-helixtrans-62.6-35.1174.156.10000112.2L778 N887 L892 Y893L778-T889 HydrophobicContact CD1-CG2 4.32Å; N887-T889 VanDerWaalsContact C-N 3.34Å; N887-T889 PolarHBondContact ND2-OG1 2.96Å; N887-T889 PolarHBondContact O-N 2.92Å; N887-T889 PolarHBondContact OD1-N 3.2Å; N887-T889 PolarHBondContact OD1-OG1 3.32Å; N887-T889 VanDerWaalsContact OD1-OG1 3.06Å; T889-L892 CarbonylContact O-C 3.6Å; T889-L892 PolarHBondContact O-N 2.6Å; T889-Y893 PolarHBondContact O-N 2.91Å
890D64.8Low56.6Low82 Ų8285.9 Ų85.944%0.43944%0.435SS..Hα-helixtrans-82.5-36.8-168.5-52.8-14.5000110.1N887 L888 L892 Y893 N894N887-D890 PolarHBondContact ND2-OD1 2.95Å; N887-D890 VanDerWaalsContact ND2-OD1 3.08Å; N887-D890 PolarHBondContact ND2-OD2 3.13Å; L888-D890 PolarHBondContact O-N 3.04Å; D890-L892 VanDerWaalsContact C-N 3.31Å; D890-L892 PolarHBondContact O-N 3.35Å; D890-Y893 PolarHBondContact O-N 2.98Å; D890-N894 WeakPolarHBondContact O-CB 3.14Å; D890-N894 VanDerWaalsContact O-CG 3.31Å; D890-N894 PolarHBondContact O-N 3.43Å; D890-N894 PolarHBondContact O-ND2 3.27Å
891L61.9Low55.7Low53 Ų5390.5 Ų90.528%0.27746%0.46SS..Hα-helixtrans-59.1-40165.3-77.8161.8000112V886 L888 Y893 T895V886-L891 HydrophobicContact CG1-CD1 4.32Å; L888-L891 HydrophobicContact CD2-CD1 4.15Å; L891-Y893 VanDerWaalsContact C-N 3.33Å; L891-Y893 PolarHBondContact O-N 3.32Å; L891-T895 WeakPolarHBondContact O-CG2 3.4Å; L891-T895 PolarHBondContact O-N 2.87Å; L891-T895 PolarHBondContact O-OG1 3.21Å
892L57.9Low55Low30 Ų3092 Ų9216%0.15746%0.458CS..Hα-helixtrans-78.4-10.4178.6-69.5171.4000114.6L778 L888 T889 D890 K896 M909L778-L892 HydrophobicContact CD1-CD1 3.78Å; L888-L892 WeakPolarHBondContact O-CB 3.06Å; L888-L892 WeakPolarHBondContact O-CD1 3.37Å; L888-L892 WeakPolarHBondContact O-CG 3.42Å; L888-L892 PolarHBondContact O-N 2.7Å; L888-L892 VanDerWaalsContact O-N 3.15Å; T889-L892 CarbonylContact O-C 3.6Å; T889-L892 PolarHBondContact O-N 2.6Å; D890-L892 VanDerWaalsContact C-N 3.31Å; D890-L892 PolarHBondContact O-N 3.35Å; L892-K896 WeakPolarHBondContact O-CE 3.4Å; L892-M909 HydrophobicContact CD2-CE 4.11Å; L892-M909 HydrophobicContact CD2-CG 4.18Å; L892-M909 HydrophobicContact CD2-SD 3.44Å; L892-M909 WeakPolarHBondContact CD2-SD 3.42Å
893Y55.2Low54Low170 Ų17097.1 Ų97.167%0.66748%0.479SS*.Hα-helixtrans-94.1-44.4170.1-102.3-81000111.8T889 D890 L891 T895 K896T889-Y893 PolarHBondContact O-N 2.91Å; D890-Y893 PolarHBondContact O-N 2.98Å; L891-Y893 VanDerWaalsContact C-N 3.33Å; L891-Y893 PolarHBondContact O-N 3.32Å; Y893-T895 PolarHBondContact O-N 3.37Å; Y893-K896 PolarHBondContact O-N 2.97Å
894N50.2Low52.6Low130 Ų130102.8 Ų102.870%0.69551%0.51SS*.Hα-helixtrans-64.3-23.4-179.7-71.5-30.7000113.4D890 K896D890-N894 WeakPolarHBondContact O-CB 3.14Å; D890-N894 VanDerWaalsContact O-CG 3.31Å; D890-N894 PolarHBondContact O-N 3.43Å; D890-N894 PolarHBondContact O-ND2 3.27Å; N894-K896 VanDerWaalsContact C-N 3.35Å
895T48.4Very low51.4Low71 Ų71105.4 Ų105.444%0.43652%0.523SS..THydrogen-bonded Turntrans-77.3-12.7174.939.60000114.4L891 Y893 F897L891-T895 WeakPolarHBondContact O-CG2 3.4Å; L891-T895 PolarHBondContact O-N 2.87Å; L891-T895 PolarHBondContact O-OG1 3.21Å; Y893-T895 PolarHBondContact O-N 3.37Å; T895-F897 PolarHBondContact O-N 3.08Å
896K45.8Very low50.2Low134 Ų134107.4 Ų107.458%0.58353%0.531SS*.THydrogen-bonded Turntrans-9115.1-175.8-67.5-177.5177.91800115L892 Y893 N894L892-K896 WeakPolarHBondContact O-CE 3.4Å; Y893-K896 PolarHBondContact O-N 2.97Å; N894-K896 VanDerWaalsContact C-N 3.35Å
897F38.7Very low49.4Very low181 Ų181114.4 Ų114.479%0.79456%0.563SS**  trans-96.110-173.9-117.1-76.1000115.6T895T895-F897 PolarHBondContact O-N 3.08Å
898N33.5Very low48.6Very low149 Ų149115.3 Ų115.380%0.79757%0.573SS**SBendtrans-108.5120.6161.7-72.1-28.3000108.5
899D30.5Very low48.3Very low152 Ų152117.9 Ų117.981%0.81359%0.586SS**  trans-72.7153.5168.9-74.3-51.2000110.3
900Y33.1Very low48.4Very low211 Ų211121.3 Ų121.383%0.82760%0.599SS**SBendtrans81.9146.1-176.4-59.9-88.6000116.8
901D33.9Very low48.6Very low138 Ų138122.1 Ų122.174%0.73860%0.602SS**  trans59.191.5175-54.1-15.3000117.6N905D901-N905 PolarHBondContact O-ND2 2.86Å
902I38.7Very low49Very low149 Ų149121.2 Ų121.276%0.76460%0.603SS**  trans-95.6-28.1-176.6-74.4176.3000113.9N904I902-N904 VanDerWaalsContact C-N 3.3Å; I902-N904 PolarHBondContact O-N 2.99Å; I902-N904 VanDerWaalsContact O-N 3.14Å
903E42.7Very low49.8Very low159 Ų159120.9 Ų120.974%0.74360%0.601SS**THydrogen-bonded Turntrans-83.39.7-161.7-58.7-167.6131.200115.8K387K387-E903 IonicContact NZ-OE1 3.91Å; K387-E903 PolarHBondContact NZ-OE1 3.28Å
904N41.4Very low50.8Low160 Ų160113.1 Ų113.186%0.85657%0.571SS**THydrogen-bonded Turntrans-127.97.5177.2-79.9-49000115.1I902 D906I902-N904 VanDerWaalsContact C-N 3.3Å; I902-N904 PolarHBondContact O-N 2.99Å; I902-N904 VanDerWaalsContact O-N 3.14Å; N904-D906 PolarHBondContact O-N 3.38Å
905N45.8Very low52.1Low79 Ų79111.1 Ų111.142%0.42256%0.56SS.*THydrogen-bonded Turntrans-84.2-4.3-165.1-96.3-61.8000116.9D901 E907 S908 M909D901-N905 PolarHBondContact O-ND2 2.86Å; N905-E907 PolarHBondContact O-N 3.17Å; N905-S908 PolarHBondContact O-N 2.88Å; N905-M909 PolarHBondContact O-N 3.04Å
906D52.1Low53.5Low115 Ų115110 Ų11062%0.61555%0.55SS*.Hα-helixtrans-67.5-28.6-169.1-114.433000114.6N904 K910N904-D906 PolarHBondContact O-N 3.38Å; D906-K910 WeakPolarHBondContact O-CE 3.38Å; D906-K910 WeakPolarHBondContact O-CG 3.48Å; D906-K910 PolarHBondContact O-N 2.84Å
907E57Low55.1Low153 Ų153103.6 Ų103.672%0.71552%0.522SS*.Hα-helixtrans-75.3-40.7174.8-62.7-142.2124.700112.4N905 M909 K910 L911N905-E907 PolarHBondContact O-N 3.17Å; E907-M909 PolarHBondContact O-N 2.98Å; E907-K910 PolarHBondContact O-N 3.44Å; E907-K910 VanDerWaalsContact O-N 3.14Å; E907-L911 PolarHBondContact O-N 3.24Å
908S56.9Low57.1Low72 Ų7297 Ų9750%0.50349%0.494SS..Hα-helixtrans-63.4-31.3179-168.90000112N905 A912N905-S908 PolarHBondContact O-N 2.88Å; S908-A912 WeakPolarHBondContact O-CB 3.33Å; S908-A912 PolarHBondContact O-N 2.83Å; S908-A912 VanDerWaalsContact O-N 3.08Å
909M60.7Low59.3Low58 Ų5894.7 Ų94.729%0.28647%0.474SS..Hα-helixtrans-70.4-41.2173.9-69.6-168.1175.300112.6L892 N905 E907 L911 A912 V913L892-M909 HydrophobicContact CD2-CE 4.11Å; L892-M909 HydrophobicContact CD2-CG 4.18Å; L892-M909 HydrophobicContact CD2-SD 3.44Å; L892-M909 WeakPolarHBondContact CD2-SD 3.42Å; N905-M909 PolarHBondContact O-N 3.04Å; E907-M909 PolarHBondContact O-N 2.98Å; M909-L911 VanDerWaalsContact C-N 3.35Å; M909-A912 PolarHBondContact O-N 3.36Å; M909-V913 WeakPolarHBondContact O-CG2 3.48Å; M909-V913 PolarHBondContact O-N 2.96Å
910K67.1Low61.7Low102 Ų10289.4 Ų89.444%0.44344%0.444SS..Hα-helixtrans-60.6-46174.5-65.3163.6-164.2165.20110.6D906 E907 V913 Y914D906-K910 WeakPolarHBondContact O-CE 3.38Å; D906-K910 WeakPolarHBondContact O-CG 3.48Å; D906-K910 PolarHBondContact O-N 2.84Å; E907-K910 PolarHBondContact O-N 3.44Å; E907-K910 VanDerWaalsContact O-N 3.14Å; K910-V913 PolarHBondContact O-N 3.48Å; K910-Y914 WeakPolarHBondContact O-CB 3.44Å; K910-Y914 PolarHBondContact O-N 3.34Å
911L70.2Confident63.8Low99 Ų9980 Ų8052%0.51841%0.408SS..Hα-helixtrans-63.3-43.7-179.5-160.178.8000112.5E907 M909 V913 Y914 L915E907-L911 PolarHBondContact O-N 3.24Å; M909-L911 VanDerWaalsContact C-N 3.35Å; L911-V913 VanDerWaalsContact C-N 3.34Å; L911-V913 PolarHBondContact O-N 2.78Å; L911-Y914 PolarHBondContact O-N 2.89Å; L911-L915 HydrophobicContact CD2-CD1 4.33Å; L911-L915 HydrophobicContact CG-CD1 4.08Å; L911-L915 WeakPolarHBondContact O-CB 3.17Å; L911-L915 VanDerWaalsContact O-CG 3.27Å; L911-L915 WeakPolarHBondContact O-CG 3.44Å; L911-L915 PolarHBondContact O-N 3.41Å
912A70.1Confident66.1Low34 Ų3477.9 Ų77.928%0.28139%0.393SS..Hα-helixtrans-62.9-38.7179.600000113S908 M909 E916S908-A912 WeakPolarHBondContact O-CB 3.33Å; S908-A912 PolarHBondContact O-N 2.83Å; S908-A912 VanDerWaalsContact O-N 3.08Å; M909-A912 PolarHBondContact O-N 3.36Å; A912-E916 PolarHBondContact O-N 2.98Å
913V73Confident67.9Low22 Ų2274.1 Ų74.113%0.13337%0.373CS..Hα-helixtrans-70.2-43176.5173.30000111.3I617 L888 M909 K910 L911 L915 I917I617-V913 HydrophobicContact CD1-CG1 3.81Å; L888-V913 HydrophobicContact CD2-CB 4.23Å; L888-V913 HydrophobicContact CD2-CG1 3.57Å; L888-V913 HydrophobicContact CD2-CG2 3.66Å; M909-V913 WeakPolarHBondContact O-CG2 3.48Å; M909-V913 PolarHBondContact O-N 2.96Å; K910-V913 PolarHBondContact O-N 3.48Å; L911-V913 VanDerWaalsContact C-N 3.34Å; L911-V913 PolarHBondContact O-N 2.78Å; V913-L915 PolarHBondContact O-N 2.94Å; V913-I917 HydrophobicContact CG1-CD1 3.86Å; V913-I917 WeakPolarHBondContact O-CD1 3.41Å; V913-I917 WeakPolarHBondContact O-CG1 3.41Å; V913-I917 PolarHBondContact O-N 3.15Å
914Y77.4Confident69.5Low8 Ų868 Ų683%0.03134%0.344CS..Hα-helixtrans-56.2-49.3174.3174-87.3000111.5Q620 L621 N624 K910 L911 E916 I917 E918Q620-Y914 HydrophobicContact CB-CD2 3.69Å; Q620-Y914 HydrophobicContact CB-CE2 3.73Å; L621-Y914 HydrophobicContact CD2-CD2 4.46Å; L621-Y914 HydrophobicContact CD2-CE2 3.63Å; L621-Y914 HydrophobicContact CG-CD2 4.46Å; L621-Y914 HydrophobicContact CG-CE2 3.83Å; N624-Y914 VanDerWaalsContact CB-OH 3.23Å; N624-Y914 WeakPolarHBondContact CB-OH 3.47Å; N624-Y914 VanDerWaalsContact ND2-CZ 3.31Å; N624-Y914 PolarHBondContact ND2-OH 3.1Å; K910-Y914 WeakPolarHBondContact O-CB 3.44Å; K910-Y914 PolarHBondContact O-N 3.34Å; L911-Y914 PolarHBondContact O-N 2.89Å; Y914-E916 PolarHBondContact O-N 3.01Å; Y914-I917 PolarHBondContact O-N 2.9Å; Y914-E918 HydrophobicContact CE1-CB 4.15Å; Y914-E918 VanDerWaalsContact CE1-CD 3.47Å; Y914-E918 HydrophobicContact CE1-CG 4.43Å; Y914-E918 WeakPolarHBondContact CE1-OE1 3.37Å; Y914-E918 WeakPolarHBondContact CE1-OE2 3.48Å; Y914-E918 WeakPolarHBondContact O-CB 3.41Å; Y914-E918 PolarHBondContact O-N 2.9Å; Y914-E918 PolarHBondContact OH-OE1 2.8Å
915L77.8Confident71.2Confident87 Ų8762.6 Ų62.646%0.45531%0.314SS..Hα-helixtrans-64.1-36.8-175.9-73.7168.3000113.7L911 V913 R919L911-L915 HydrophobicContact CD2-CD1 4.33Å; L911-L915 HydrophobicContact CG-CD1 4.08Å; L911-L915 WeakPolarHBondContact O-CB 3.17Å; L911-L915 VanDerWaalsContact O-CG 3.27Å; L911-L915 WeakPolarHBondContact O-CG 3.44Å; L911-L915 PolarHBondContact O-N 3.41Å; V913-L915 PolarHBondContact O-N 2.94Å; L915-R919 VanDerWaalsContact O-CB 3.27Å; L915-R919 WeakPolarHBondContact O-CB 3.34Å; L915-R919 PolarHBondContact O-N 2.97Å
916E78.3Confident72.7Confident48 Ų4863.4 Ų63.422%0.22431%0.314CS..Hα-helixtrans-70.5-36.3175.7176.155.2-157.300111.8V886 A912 Y914 R919 Q920V886-E916 HydrophobicContact CG1-CG 4.37Å; A912-E916 PolarHBondContact O-N 2.98Å; Y914-E916 PolarHBondContact O-N 3.01Å; E916-R919 PolarHBondContact O-N 3.2Å; E916-R919 IonicContact OE1-CZ 2.81Å; E916-R919 IonicContact OE1-NE 3.01Å; E916-R919 PolarHBondContact OE1-NE 2.86Å; E916-R919 IonicContact OE1-NH2 3.56Å; E916-R919 PolarHBondContact OE1-NH2 3.2Å; E916-R919 IonicContact OE2-CZ 2.59Å; E916-R919 IonicContact OE2-NE 2.72Å; E916-R919 PolarHBondContact OE2-NE 3.18Å; E916-R919 IonicContact OE2-NH2 3.69Å; E916-Q920 WeakPolarHBondContact O-CG 3.07Å; E916-Q920 PolarHBondContact O-N 3.2Å; E916-Q920 PolarHBondContact OE1-NE2 3.1Å
917I78.2Confident73.7Confident0 Ų065 Ų650%031%0.311CS..Hα-helixtrans-68-44.2176.3-65.2165.2000110.3I617 L621 I770 L772 V913 Y914 R919 Q920 I921I617-I917 HydrophobicContact CD1-CD1 3.86Å; I617-I917 HydrophobicContact CG2-CD1 3.81Å; I617-I917 HydrophobicContact CG2-CG2 4.49Å; L621-I917 HydrophobicContact CD1-CG2 4.22Å; I770-I917 HydrophobicContact CD1-CG2 4.12Å; L772-I917 HydrophobicContact CD1-CD1 4.41Å; L772-I917 HydrophobicContact CD2-CD1 3.68Å; L772-I917 HydrophobicContact CD2-CG1 4.24Å; V913-I917 HydrophobicContact CG1-CD1 3.86Å; V913-I917 WeakPolarHBondContact O-CD1 3.41Å; V913-I917 WeakPolarHBondContact O-CG1 3.41Å; V913-I917 PolarHBondContact O-N 3.15Å; Y914-I917 PolarHBondContact O-N 2.9Å; I917-R919 VanDerWaalsContact C-N 3.34Å; I917-R919 PolarHBondContact O-N 2.69Å; I917-Q920 PolarHBondContact O-N 3.44Å; I917-I921 HydrophobicContact CG2-CD1 3.96Å; I917-I921 WeakPolarHBondContact O-CG1 3.46Å; I917-I921 PolarHBondContact O-N 3.11Å
918E80.2Confident74.4Confident43 Ų4360.9 Ų60.920%0.20129%0.291CS..Hα-helixtrans-59.4-42.7172.9-176.4169.5-108.800111.6N625 Y914 Q920 I921 E922N625-E918 PolarHBondContact ND2-OE1 3Å; Y914-E918 HydrophobicContact CE1-CB 4.15Å; Y914-E918 VanDerWaalsContact CE1-CD 3.47Å; Y914-E918 HydrophobicContact CE1-CG 4.43Å; Y914-E918 WeakPolarHBondContact CE1-OE1 3.37Å; Y914-E918 WeakPolarHBondContact CE1-OE2 3.48Å; Y914-E918 WeakPolarHBondContact O-CB 3.41Å; Y914-E918 PolarHBondContact O-N 2.9Å; Y914-E918 PolarHBondContact OH-OE1 2.8Å; E918-Q920 VanDerWaalsContact C-N 3.34Å; E918-Q920 PolarHBondContact O-N 3.37Å; E918-I921 PolarHBondContact O-N 3.09Å; E918-E922 PolarHBondContact O-N 3.18Å
919R81.3Confident75Confident99 Ų9963.1 Ų63.137%0.37429%0.294SS..Hα-helixtrans-59.9-40.9175.6-165.5-162.867.366.21.2112.6L915 E916 I917 E923L915-R919 VanDerWaalsContact O-CB 3.27Å; L915-R919 WeakPolarHBondContact O-CB 3.34Å; L915-R919 PolarHBondContact O-N 2.97Å; E916-R919 PolarHBondContact O-N 3.2Å; E916-R919 IonicContact OE1-CZ 2.81Å; E916-R919 IonicContact OE1-NE 3.01Å; E916-R919 PolarHBondContact OE1-NE 2.86Å; E916-R919 IonicContact OE1-NH2 3.56Å; E916-R919 PolarHBondContact OE1-NH2 3.2Å; E916-R919 IonicContact OE2-CZ 2.59Å; E916-R919 IonicContact OE2-NE 2.72Å; E916-R919 PolarHBondContact OE2-NE 3.18Å; E916-R919 IonicContact OE2-NH2 3.69Å; I917-R919 VanDerWaalsContact C-N 3.34Å; I917-R919 PolarHBondContact O-N 2.69Å; R919-E923 IonicContact CZ-OE2 3.04Å; R919-E923 IonicContact NH1-OE2 3.24Å; R919-E923 PolarHBondContact NH1-OE2 2.78Å; R919-E923 WeakPolarHBondContact O-CB 3.47Å; R919-E923 PolarHBondContact O-N 2.86Å
920Q79.3Confident75.4Confident42 Ų4265.6 Ų65.620%0.19631%0.308CS..Hα-helixtrans-68-40.9177.1-65.5-82-1.400111.5C884 E916 I917 E918 E923 F924C884-Q920 VanDerWaalsContact SG-CD 3.55Å; C884-Q920 PolarHBondContact SG-OE1 2.65Å; C884-Q920 VanDerWaalsContact SG-OE1 3.33Å; E916-Q920 WeakPolarHBondContact O-CG 3.07Å; E916-Q920 PolarHBondContact O-N 3.2Å; E916-Q920 PolarHBondContact OE1-NE2 3.1Å; I917-Q920 PolarHBondContact O-N 3.44Å; E918-Q920 VanDerWaalsContact C-N 3.34Å; E918-Q920 PolarHBondContact O-N 3.37Å; Q920-E923 PolarHBondContact O-N 2.88Å; Q920-F924 PolarHBondContact O-N 2.88Å
921I78.6Confident75.1Confident12 Ų1266.2 Ų66.26%0.06232%0.316CS..Hα-helixtrans-64.2-47.6175.4-68.2166.4000110.5I602 L604 L621 I770 I917 E918 E923 F924 I925I602-I921 HydrophobicContact CD1-CG2 4.32Å; L604-I921 HydrophobicContact CD2-CD1 3.84Å; L604-I921 HydrophobicContact CD2-CG1 4.31Å; L621-I921 HydrophobicContact CD1-CD1 4.1Å; L621-I921 HydrophobicContact CD2-CD1 4.17Å; I770-I921 HydrophobicContact CD1-CG1 4.14Å; I917-I921 HydrophobicContact CG2-CD1 3.96Å; I917-I921 WeakPolarHBondContact O-CG1 3.46Å; I917-I921 PolarHBondContact O-N 3.11Å; E918-I921 PolarHBondContact O-N 3.09Å; I921-E923 VanDerWaalsContact C-N 3.34Å; I921-E923 PolarHBondContact O-N 3.37Å; I921-F924 PolarHBondContact O-N 3.13Å; I921-I925 HydrophobicContact CG2-CD1 3.82Å; I921-I925 HydrophobicContact CG2-CG1 4.41Å; I921-I925 VanDerWaalsContact O-CG1 3.31Å; I921-I925 WeakPolarHBondContact O-CG1 3.33Å; I921-I925 PolarHBondContact O-N 2.82Å
922E80.5Confident74.4Confident94 Ų9464.2 Ų64.244%0.43931%0.314SS..Hα-helixtrans-56.4-45.7173.9-84.1-155.9158.600112.3E918 F924 I925 K926E918-E922 PolarHBondContact O-N 3.18Å; E922-F924 VanDerWaalsContact C-N 3.27Å; E922-F924 PolarHBondContact O-N 3.23Å; E922-I925 PolarHBondContact O-N 3.27Å; E922-K926 VanDerWaalsContact CD-NZ 3.3Å; E922-K926 WeakPolarHBondContact O-CB 3.4Å; E922-K926 VanDerWaalsContact O-CD 3.32Å; E922-K926 WeakPolarHBondContact O-CD 3.47Å; E922-K926 VanDerWaalsContact O-CG 3.23Å; E922-K926 WeakPolarHBondContact O-CG 3.41Å; E922-K926 PolarHBondContact O-N 3.02Å; E922-K926 IonicContact OE1-NZ 3.24Å; E922-K926 IonicContact OE2-NZ 3.77Å; E922-K926 PolarHBondContact OE2-NZ 2.99Å
923E78.4Confident73.2Confident71 Ų7169.8 Ų69.833%0.33234%0.338SS..Hα-helixtrans-64.8-35.6-179.1-160.7-178150.300111R919 Q920 I921 R927R919-E923 IonicContact CZ-OE2 3.04Å; R919-E923 IonicContact NH1-OE2 3.24Å; R919-E923 PolarHBondContact NH1-OE2 2.78Å; R919-E923 WeakPolarHBondContact O-CB 3.47Å; R919-E923 PolarHBondContact O-N 2.86Å; Q920-E923 PolarHBondContact O-N 2.88Å; I921-E923 VanDerWaalsContact C-N 3.34Å; I921-E923 PolarHBondContact O-N 3.37Å; E923-R927 VanDerWaalsContact O-CG 3.24Å; E923-R927 WeakPolarHBondContact O-CG 3.37Å; E923-R927 PolarHBondContact O-N 3.03Å; E923-R927 VanDerWaalsContact O-N 3.11Å; E923-R927 IonicContact OE1-CZ 3.99Å; E923-R927 IonicContact OE1-NE 2.78Å; E923-R927 IonicContact OE1-NH2 2.88Å; E923-R927 PolarHBondContact OE1-NH2 2.93Å
924F76Confident71.9Confident30 Ų3074.7 Ų74.713%0.13237%0.368CS..Hα-helixtrans-68.8-46173-173-87.8000113D767 L768 Q920 I921 E922 K926 R927 K928D767-F924 HydrophobicContact CB-CE1 3.72Å; D767-F924 HydrophobicContact CB-CZ 3.71Å; D767-F924 WeakPolarHBondContact O-CE2 3.45Å; D767-F924 VanDerWaalsContact O-CZ 3.3Å; D767-F924 WeakPolarHBondContact O-CZ 3.48Å; L768-F924 HydrophobicContact CB-CD1 4.4Å; L768-F924 HydrophobicContact CB-CD2 4.1Å; L768-F924 HydrophobicContact CB-CE1 4.45Å; L768-F924 HydrophobicContact CB-CE2 4.14Å; L768-F924 HydrophobicContact CB-CG 4.24Å; L768-F924 HydrophobicContact CB-CZ 4.33Å; L768-F924 HydrophobicContact CD1-CD2 4.11Å; L768-F924 HydrophobicContact CD2-CB 3.88Å; L768-F924 HydrophobicContact CD2-CD2 4.28Å; L768-F924 HydrophobicContact CD2-CG 3.98Å; L768-F924 HydrophobicContact CG-CD2 4.39Å; Q920-F924 PolarHBondContact O-N 2.88Å; I921-F924 PolarHBondContact O-N 3.13Å; E922-F924 VanDerWaalsContact C-N 3.27Å; E922-F924 PolarHBondContact O-N 3.23Å; F924-K926 VanDerWaalsContact C-N 3.3Å; F924-K926 PolarHBondContact O-N 3.25Å; F924-R927 WeakPolarHBondContact O-CA 3.3Å; F924-R927 WeakPolarHBondContact O-CB 3.47Å; F924-R927 PolarHBondContact O-N 3.25Å; F924-K928 HydrophobicContact CE1-CB 4.4Å; F924-K928 HydrophobicContact CE1-CD 4.2Å; F924-K928 PolarHBondContact O-N 2.75Å
925I76.4Confident70Confident46 Ų4683 Ų8324%0.23640%0.404CS..Hα-helixtrans-55.5-49.2175.7-66.8161.7000109.6I602 I921 E922 R927 K928 E929I602-I925 HydrophobicContact CD1-CD1 3.66Å; I602-I925 HydrophobicContact CD1-CG1 3.98Å; I602-I925 HydrophobicContact CG1-CD1 4.42Å; I602-I925 HydrophobicContact CG1-CG1 4.2Å; I921-I925 HydrophobicContact CG2-CD1 3.82Å; I921-I925 HydrophobicContact CG2-CG1 4.41Å; I921-I925 VanDerWaalsContact O-CG1 3.31Å; I921-I925 WeakPolarHBondContact O-CG1 3.33Å; I921-I925 PolarHBondContact O-N 2.82Å; E922-I925 PolarHBondContact O-N 3.27Å; I925-R927 VanDerWaalsContact C-N 3.26Å; I925-R927 PolarHBondContact O-N 3.22Å; I925-K928 WeakPolarHBondContact O-CA 3.37Å; I925-K928 PolarHBondContact O-N 3.08Å; I925-E929 HydrophobicContact CG2-CG 4.17Å; I925-E929 WeakPolarHBondContact O-CG 3.43Å; I925-E929 PolarHBondContact O-N 3.05Å
926K77.2Confident67.7Low97 Ų9784.6 Ų84.642%0.42242%0.418SS..Hα-helixtrans-60.2-34.4178.2-69160.3-167.5171.20111.9E922 F924 N930E922-K926 VanDerWaalsContact CD-NZ 3.3Å; E922-K926 WeakPolarHBondContact O-CB 3.4Å; E922-K926 VanDerWaalsContact O-CD 3.32Å; E922-K926 WeakPolarHBondContact O-CD 3.47Å; E922-K926 VanDerWaalsContact O-CG 3.23Å; E922-K926 WeakPolarHBondContact O-CG 3.41Å; E922-K926 PolarHBondContact O-N 3.02Å; E922-K926 IonicContact OE1-NZ 3.24Å; E922-K926 IonicContact OE2-NZ 3.77Å; E922-K926 PolarHBondContact OE2-NZ 2.99Å; F924-K926 VanDerWaalsContact C-N 3.3Å; F924-K926 PolarHBondContact O-N 3.25Å; K926-N930 WeakPolarHBondContact O-CB 3.35Å; K926-N930 PolarHBondContact O-N 2.94Å; K926-N930 PolarHBondContact O-ND2 3.23Å
927R73.4Confident65.5Low147 Ų14789.8 Ų89.856%0.55545%0.446SS*.Hα-helixtrans-69.4-41.4171.7-69.3166.8-171.5-165.56.2112.1E923 F924 I925 N931E923-R927 VanDerWaalsContact O-CG 3.24Å; E923-R927 WeakPolarHBondContact O-CG 3.37Å; E923-R927 PolarHBondContact O-N 3.03Å; E923-R927 VanDerWaalsContact O-N 3.11Å; E923-R927 IonicContact OE1-CZ 3.99Å; E923-R927 IonicContact OE1-NE 2.78Å; E923-R927 IonicContact OE1-NH2 2.88Å; E923-R927 PolarHBondContact OE1-NH2 2.93Å; F924-R927 WeakPolarHBondContact O-CA 3.3Å; F924-R927 WeakPolarHBondContact O-CB 3.47Å; F924-R927 PolarHBondContact O-N 3.25Å; I925-R927 VanDerWaalsContact C-N 3.26Å; I925-R927 PolarHBondContact O-N 3.22Å; R927-N931 PolarHBondContact O-N 3.34Å; R927-N931 VanDerWaalsContact O-N 3.14Å; R927-N931 PolarHBondContact O-ND2 3.34Å
928K70.4Confident63.2Low68 Ų6895.5 Ų95.530%0.29648%0.483SS..Hα-helixtrans-65.3-45.2178.3-168.5172.3177-178.60111.5F600 P601 D767 F924 I925 N931 A932F600-K928 PolarHBondContact O-NZ 3.32Å; F600-K928 VanDerWaalsContact O-NZ 3.12Å; P601-K928 PolarHBondContact O-NZ 2.95Å; D767-K928 IonicContact OD1-NZ 2.66Å; D767-K928 IonicContact OD2-NZ 3.1Å; D767-K928 PolarHBondContact OD2-NZ 3.37Å; F924-K928 HydrophobicContact CE1-CB 4.4Å; F924-K928 HydrophobicContact CE1-CD 4.2Å; F924-K928 PolarHBondContact O-N 2.75Å; I925-K928 WeakPolarHBondContact O-CA 3.37Å; I925-K928 PolarHBondContact O-N 3.08Å; K928-N931 PolarHBondContact O-N 3.49Å; K928-A932 WeakPolarHBondContact O-CB 3.48Å; K928-A932 PolarHBondContact O-N 3.23Å
929E70.9Confident60.6Low119 Ų119100.5 Ų100.556%0.55652%0.516SS*.Hα-helixtrans-60.6-48.5175-70.5178.1152.800112.5I925 N931 A932 L933I925-E929 HydrophobicContact CG2-CG 4.17Å; I925-E929 WeakPolarHBondContact O-CG 3.43Å; I925-E929 PolarHBondContact O-N 3.05Å; E929-N931 PolarHBondContact O-N 3.4Å; E929-A932 PolarHBondContact O-N 2.6Å; E929-A932 VanDerWaalsContact O-N 3.11Å; E929-L933 PolarHBondContact O-N 2.72Å
930N68.6Low58Low109 Ų109104.5 Ų104.558%0.58354%0.539SS*.Hα-helixtrans-61.2-30.1177.1-82.6-63.1000112.7K926 V934K926-N930 WeakPolarHBondContact O-CB 3.35Å; K926-N930 PolarHBondContact O-N 2.94Å; K926-N930 PolarHBondContact O-ND2 3.23Å; N930-V934 WeakPolarHBondContact O-CG2 3.39Å
931N60.4Low55.5Low116 Ų116111.2 Ų111.262%0.6257%0.57SS**Hα-helixtrans-80.2-32.1174.1-74.2-30.3000113.1R927 K928 E929R927-N931 PolarHBondContact O-N 3.34Å; R927-N931 VanDerWaalsContact O-N 3.14Å; R927-N931 PolarHBondContact O-ND2 3.34Å; K928-N931 PolarHBondContact O-N 3.49Å; E929-N931 PolarHBondContact O-N 3.4Å
932A55.8Low53.1Low57 Ų57118.8 Ų118.847%0.47161%0.609SS.*Hα-helixtrans-70.7-42.3177.600000112K928 E929 V934 K935K928-A932 WeakPolarHBondContact O-CB 3.48Å; K928-A932 PolarHBondContact O-N 3.23Å; E929-A932 PolarHBondContact O-N 2.6Å; E929-A932 VanDerWaalsContact O-N 3.11Å; A932-V934 PolarHBondContact O-N 3.05Å; A932-K935 PolarHBondContact O-N 3.01Å
933L45.9Very low50.5Low150 Ų150121.2 Ų121.279%0.78562%0.62SS**THydrogen-bonded Turntrans-62.9-12.2-179.6-147.578.6000113.9E929E929-L933 PolarHBondContact O-N 2.72Å
934V45.2Very low48Very low125 Ų125126.2 Ų126.276%0.75864%0.641SS**THydrogen-bonded Turntrans-91.5-10.7178175.40000112.5N930 A932N930-V934 WeakPolarHBondContact O-CG2 3.39Å; A932-V934 PolarHBondContact O-N 3.05Å
935K36.6Very low45.6Very low182 Ų182130.9 Ų130.979%0.79167%0.672SS**SBendtrans-103.2-9.5-169.1-87.6-175.2171.8-178.90117.2A932 I937A932-K935 PolarHBondContact O-N 3.01Å; K935-I937 PolarHBondContact O-N 3.12Å
936T29.3Very low43.4Very low122 Ų122131.4 Ų131.475%0.74869%0.69SS**  trans-100.179-175.455.60000113.6
937I32.9Very low41Very low156 Ų156133.5 Ų133.580%0.871%0.705SS**  trans-130.6124.6152.3-61.1-179.4000106K935K935-I937 PolarHBondContact O-N 3.12Å
938P30.5Very low38.7Very low120 Ų120132.7 Ų132.778%0.77971%0.712SS**  trans-77.7145.1-168.331.1-35.8000112.7
939V25.2Very low36.7Very low148 Ų148140 Ų14090%0.89774%0.738SS**  trans-136.5104.4158.4-179.40000107.4
940E27.2Very low34.5Very low184 Ų184139.8 Ų139.886%0.8675%0.745SS**  trans-133.9114.2168.1-163.2169.9-124.700106.7
941Q27Very low32.6Very low182 Ų182141.9 Ų141.985%0.8575%0.754SS**  trans-177.192159.9-107.7169.914.200109.9
942I28.3Very low31Very low172 Ų172141.5 Ų141.588%0.88276%0.756SS**  trans-101.6127.9137.8-62.7171.4000104.1
943E25.3Very low29.6Very low144 Ų144147 Ų14767%0.67377%0.774SS**  trans-163.8164.7163.4-132.5171.7-143.100113.5
944F25.1Very low28.6Very low176 Ų176145.4 Ų145.477%0.77277%0.766SS**  trans69.2136.6179.9-56.6-66.9000116
945T25.8Very low27.8Very low128 Ų128146.7 Ų146.779%0.78577%0.774SS**  cis-156.8156.81.25.20000107.5
946G29.6Very low27.4Very low58 Ų58141 Ų14160%0.59877%0.768SS**  cis148.9154.2-3.600000112.1
947N27.6Very low27.4Very low141 Ų141143.6 Ų143.675%0.75477%0.771SS**  trans67.5150.3160.7-66.456.8000117.6
948D24.7Very low27.1Very low130 Ų130142.4 Ų142.470%0.69577%0.766SS**  cis-158.2176.22.6-132.5-38.6000113.3
949R28.8Very low27Very low222 Ų222141.9 Ų141.984%0.83876%0.761SS**  trans85.8111.8169.9-62.5-178.7-177.3174.21116.9
950T25.3Very low27.1Very low114 Ų114142.6 Ų142.670%0.69975%0.754SS**  73.5135.961.7690000113.8
951I28.3Very low27.2Very low153 Ų153142 Ų14279%0.78575%0.749SS**  cis-151.1146.47.5-118.5157000112.5
952V26.2Very low27.1Very low107 Ų107140.5 Ų140.565%0.64874%0.742SS**  trans-29.6144.8156.9176.40000118.7
953M26Very low26.9Very low174 Ų174139.1 Ų139.186%0.85774%0.736SS**  trans-129.2126.5140.9-69.1-167.175.800107
954N25.6Very low27Very low115 Ų115138.4 Ų138.462%0.61574%0.737SS**  69.499.363.8-68.96.4000113.7
955V28.5Very low27.2Very low152 Ų152136.8 Ų136.892%0.92174%0.736SS**  -144.397.3118.7-176.50000109.6
956G28.9Very low27.4Very low64 Ų64137.9 Ų137.966%0.6673%0.733SS**SBendtrans-147.7125.8147.600000103.8N958G956-N958 PolarHBondContact O-N 3.07Å
957E27.8Very low27.3Very low175 Ų175141.9 Ų141.982%0.81873%0.733SS**  trans-69.4124.1-166.9-67.7-171.3107.300112.2
958N27.4Very low27.4Very low131 Ų131142.7 Ų142.770%0.70173%0.733SS**  37.2138.2120.7-56.2-26.1000118.7G956G956-N958 PolarHBondContact O-N 3.07Å
959V27.9Very low27.5Very low110 Ų110144.9 Ų144.967%0.66774%0.739SS**  cis-171173.5-6.2110.50000108
960E27.1Very low27.5Very low163 Ų163140.6 Ų140.676%0.76273%0.733SS**  trans69.3102.6161.7-87.7150.6-142.400122.6
961K29.9Very low27.7Very low170 Ų170138.7 Ų138.774%0.73972%0.724SS**  58.7122.1115.2-70.4-170.5171.4-168.60124.7
962E25Very low27.8Very low152 Ų152139.9 Ų139.971%0.7172%0.723SS**  49.8131118.4-57.6172.2132.900122
963N23.9Very low27.7Very low142 Ų142142.8 Ų142.876%0.75973%0.729SS**  trans72.8154.6152.5-78.943.1000118.6
964D27Very low27.9Very low129 Ų129142.2 Ų142.269%0.6973%0.728SS**  cis-142.4164.27.8-82.6-52.2000113
965D29.6Very low27.8Very low142 Ų142144.3 Ų144.376%0.75973%0.734SS**  trans51.1140.9144.6-70.1-17000127.9
966E29.6Very low27.8Very low152 Ų152143.3 Ų143.371%0.7172%0.724SS**  trans59.6149.3148.6-69.3-168.414800121.4
967K29.4Very low27.7Very low141 Ų141149 Ų14961%0.61373%0.727SS**  cis-161.916817.2-132.8165.3-171.7122.60113
968E28Very low27.7Very low158 Ų158147.7 Ų147.774%0.73873%0.725SS**  trans63.8150.7157-75.9157.6-140.900120.2
969E26.7Very low27.6Very low176 Ų176149.7 Ų149.782%0.82273%0.732SS**  cis-159.5149.5-23.8-131.1-175.3-157.800113.7
970D29.3Very low27.6Very low133 Ų133154.3 Ų154.371%0.71174%0.743SS**  trans53.8137.1144.8-121.640.9000130.7
971S28.9Very low27.8Very low73 Ų73153.7 Ų153.751%0.5175%0.745SS.*  trans79.7110.4134.4-84.60000129.3
972K30.3Very low27.8Very low178 Ų178151.5 Ų151.577%0.77474%0.742SS**  58.1109118.6-58.2-179.2-164.791.50124.8
973H24.9Very low28Very low168 Ų168151.6 Ų151.678%0.77874%0.74SS**  47.5119114.1-162.522.5000123.1
974I29.6Very low28.2Very low163 Ų163151.1 Ų151.184%0.83674%0.737SS**  trans-168.8166.4133.9-103.9162000110.9
975Q23.9Very low28.3Very low158 Ų158154.3 Ų154.374%0.73874%0.744SS**  trans-98.4145.7-178.3-58160.4-73.200111.8
976D27.8Very low28.3Very low131 Ų131152.2 Ų152.270%0.70175%0.746SS**  172.7158107.8-109.5-8.2000116.3
977Y28.1Very low28.1Very low185 Ų185155.1 Ų155.173%0.72575%0.751SS**  trans35.3108.3163.8-64.1-71.4000124.3
978N27.6Very low28Very low146 Ų146155.8 Ų155.878%0.78176%0.761SS**  trans74.3139.4130.4-72.9-18.5000123.9
979M25Very low27.9Very low173 Ų173151.5 Ų151.585%0.85276%0.76SS**  trans62.5104162.1-69.2-175.269.200119.7
980K28.8Very low27.9Very low207 Ų207148.6 Ų148.690%0.976%0.758SS**  -171.1168.4116.5-105.6169.4-175.7179.50113.3
981D30.4Very low27.8Very low150 Ų150147.7 Ų147.780%0.80276%0.758SS**  trans-94178.1-174.6-59.9-86.5000114.5
982D30.2Very low27.7Very low124 Ų124151.2 Ų151.266%0.66377%0.771SS**  trans87.8108.4153.1-94.53.2000123.8
983K29.7Very low27.5Very low155 Ų155147.3 Ų147.367%0.67477%0.766SS**  64.3108.5128.1-66.5178.8-173.283.60123.6
984L28.1Very low27.4Very low132 Ų132147.1 Ų147.169%0.69177%0.77SS**  81.2123119.6-66.3172.4000124
985K29.4Very low27.3Very low196 Ų196150.4 Ų150.485%0.85277%0.772SS**  trans69.9151.2147.8-60.8167.3-179.21790117.5
986A28.3Very low27.3Very low97 Ų97147.4 Ų147.480%0.80277%0.768SS**  cis-166.3-159.2-19.600000107.5
987R26.3Very low27.1Very low214 Ų214147 Ų14781%0.80877%0.77SS**  cis-167.3118.13176.2-170.7176.3-1620.6111.8
988N26.1Very low27Very low155 Ų155147.5 Ų147.583%0.82978%0.779SS**  trans60.6165155.8-56.59.3000120
989G27.1Very low26.9Very low68 Ų68152.1 Ų152.170%0.70179%0.786SS**  cis160.2175.9-13.100000115.6
990S27.2Very low27.5Very low114 Ų114149.1 Ų149.180%0.79778%0.78SS**  trans76.8156.6159.7-64.50000120.1
991T25.8Very low27.4Very low114 Ų114145.2 Ų145.270%0.69977%0.773SS**  cis-169.7171.9-7.922.80000114.6
992N26.7Very low27.2Very low148 Ų148144.6 Ų144.679%0.79177%0.774SS**  trans86.2152.9149.2-68.6-22.1000122.6
993S25.8Very low27.1Very low95 Ų95143 Ų14366%0.66478%0.779SS**  cis-172.6172-27.9-160.90000114.2
994L24.5Very low27Very low164 Ų164144.4 Ų144.486%0.85979%0.785SS**  trans73.2152.2164.7-63.2152.6000118.6
995R26.9Very low27.1Very low233 Ų233143.9 Ų143.988%0.87979%0.787SS**  cis-146.717212.1-163.9171.2176.9171.70.2113
996S24.6Very low26.9Very low95 Ų95139.4 Ų139.466%0.66478%0.781SS**  trans-62.7168.9-175.458.10000118.1
997T23.4Very low26.9Very low121 Ų121139.7 Ų139.774%0.74278%0.777SS**  cis-157.1150.53245.20000116.3
998Q26.4Very low27.4Very low196 Ų196135.2 Ų135.292%0.91678%0.778SS**  trans60.2148.9152.7-65.2-164.810.700124.5
999R23.7Very low27.8Very low243 Ų243130.9 Ų130.992%0.91777%0.771SS**  trans-42.5173.2176.1-79.2177.9174.5178.6-0.3119.4
1000P37.9Very low28Very low111 Ų111137.2 Ų137.272%0.72178%0.779SS**  cis-132.7-139.8-8.133.6-9.1000115
1001V27.9Very low28.1Very low124 Ų124138.6 Ų138.675%0.75278%0.777SS**  trans70.5146.3-178.6-54.60000117.9
1002T24.5Very low28.1Very low137 Ų137138 Ų13884%0.8478%0.777SS**  cis88.5139.711.974.50000117.8
1003A28.8Very low28.2Very low92 Ų92137 Ų13776%0.7678%0.777SS**  cis-139-1432.400000111.3
1004K27.6Very low28.5Very low184 Ų184138.3 Ų138.380%0.878%0.781SS**  cis-170.3166.67.6-142.2173.5-173.8175.90112.1
1005T29.8Very low28.7Very low120 Ų120135.7 Ų135.774%0.73678%0.777SS**  trans61.8150.4162.947.10000120.4
1006S26.5Very low29Very low103 Ų103135.2 Ų135.272%0.7278%0.775SS**  cis91.2139.32.781.40000119.9
1007S28.4Very low29.3Very low102 Ų102138.8 Ų138.871%0.71378%0.781SS**  cis176.3165.8-9.550.40000113.7
1008S35.9Very low29.9Very low120 Ų120138.9 Ų138.984%0.83979%0.787SS**  trans78155.4164.5-171.60000119.5
1009G34.7Very low30.1Very low65 Ų65136.7 Ų136.767%0.6778%0.782SS**  cis150.1156.5-12.800000117.3
1010K32Very low30.3Very low201 Ų201134.3 Ų134.387%0.87478%0.78SS**  trans107.1135.2171.9-70.1-176179173.90121.4
1011N28.3Very low29.9Very low142 Ų142132.9 Ų132.976%0.75979%0.785SS**  trans79.3108.2144.3-70.916.4000126.1
1012S26.7Very low30.1Very low101 Ų101136.7 Ų136.771%0.70679%0.792SS**  69.7132.4125.764.30000126.9
1013T28.1Very low30.5Very low127 Ų127138 Ų13878%0.77979%0.786SS**  trans88.7146.5139.933.30000124.8
1014T31.4Very low30.4Very low124 Ų124141.3 Ų141.376%0.76179%0.786SS**  trans70.884157.839.50000123
1015S29.3Very low30.5Very low109 Ų109136.2 Ų136.276%0.76279%0.786SS**  62143.611767.10000124.9
1016R33Very low30.5Very low222 Ų222136.4 Ų136.484%0.83879%0.792SS**  trans88.4103.3158.5-79.6-176.6166.2151.5-2.2120.6
1017Q31.9Very low31Very low170 Ų170136.1 Ų136.179%0.79480%0.796SS**  42.5108.1127.9-64.2172.7-58.900120
1018S34.5Very low31Very low124 Ų124139.7 Ų139.787%0.86780%0.801SS**  179.9-169.7105.7490000110.8
1019N30.8Very low31Very low150 Ų150137.9 Ų137.980%0.80279%0.788SS**  trans-100.3156.4-156.5-80.2-22.9000116.1
1020H29.3Very low30.9Very low193 Ų193140.2 Ų140.289%0.89478%0.782SS**  trans74118.3155.8-78.814.5000119.5
1021G29.4Very low31Very low80 Ų80138.4 Ų138.483%0.82577%0.77SS**  trans-177.2129.2165.600000112.2
1022K32Very low31.2Very low205 Ų205139.7 Ų139.789%0.89177%0.769SS**  trans-84.2161.3160.1-64.7174178.5171.60107.3
1023K31.8Very low31.3Very low164 Ų164140 Ų14071%0.71377%0.766SS**  cis-164.1161.28.7-138.6178.2168-140.10109.1
1024E28.1Very low31.2Very low161 Ų161141.1 Ų141.175%0.75277%0.773SS**  trans63.7143156.6-72.8149.8-15400120.9
1025G29.3Very low31.1Very low78 Ų78138.7 Ų138.780%0.80477%0.772SS**  trans161.81.1170.300000127.3
1026S29.2Very low30.9Very low123 Ų123138.9 Ų138.986%0.8677%0.774SS**  trans52.3117.5163.5-149.50000125.7
1027A36.2Very low30.7Very low98 Ų98139.9 Ų139.981%0.8178%0.777SS**  trans45.9138.2135.800000127.9
1028E28.5Very low30.4Very low177 Ų177137.3 Ų137.383%0.82778%0.778SS**  trans-164.7174.5151-169.746.8-78.800112
1029S37.4Very low30.5Very low81 Ų81136.7 Ų136.757%0.56677%0.771SS**  trans-146.9139.2-163.6-1090000122.1
1030Q32.4Very low30.3Very low114 Ų114135.2 Ų135.253%0.53377%0.773SS.*  trans81.2160.5139.2-66.7-167.696.600123.7
1031R33.9Very low30.3Very low164 Ų164129.7 Ų129.762%0.61977%0.768SS**  cis-178.897-41.8-104.2177.3-157.9145.7-3.9113.3R1073R1031-R1073 VanDerWaalsContact C-NH1 3.27Å; R1031-R1073 VanDerWaalsContact O-CD 3.31Å; R1031-R1073 WeakPolarHBondContact O-CD 3.23Å; R1031-R1073 PolarHBondContact O-NH1 3.41Å
1032K32.2Very low30.3Very low169 Ų169129.7 Ų129.774%0.73577%0.768SS**  trans-178.5115.4156.4-106169.8-173.5-173.70110.4
1033T28.1Very low30.2Very low108 Ų108131.5 Ų131.566%0.66377%0.769SS**  cis70.3130.947.370.90000113.6R1073T1033-R1073 PolarHBondContact OG1-NH1 3.01Å
1034V26.3Very low29.9Very low150 Ų150129 Ų12991%0.90977%0.772SS**  cis-148.3165.331.3-171.40000112.5
1035G29Very low30Very low73 Ų73125.6 Ų125.675%0.75377%0.771SS**  trans-171.9162.8169.200000112.2
1036S26.6Very low30.2Very low113 Ų113131.1 Ų131.179%0.7977%0.773SS**  trans-137157.5-162.976.50000119.2
1037R27.3Very low30.2Very low242 Ų242132.2 Ų132.291%0.91376%0.764SS**  trans106.8149.3163.8-64.7179.6172168.7-2.4118.6
1038S27Very low30.1Very low116 Ų116134.9 Ų134.981%0.81176%0.76SS**  trans-99.2-159.5-168.5-330000111.2
1039P35.7Very low29.9Very low111 Ų111132.6 Ų132.672%0.72175%0.754SS**  cis-145.4-178.213.944.5-24000119.2
1040S26.6Very low29.5Very low120 Ų120136.2 Ų136.284%0.83977%0.767SS**  trans68.3150152.267.40000121.1
1041G30Very low29.2Very low76 Ų76140.5 Ų140.578%0.78478%0.783SS**  cis169.2149.3-11.800000115.8
1042G28.4Very low29Very low80 Ų80142 Ų14283%0.82580%0.797SS**  trans81.6156.4172.100000115.9
1043R29.7Very low28.7Very low244 Ų244144.4 Ų144.492%0.92180%0.802SS**  cis-161.2149.5-9-83.2-176.7179.1168.4-1.6106.2
1044S26.9Very low28.6Very low112 Ų112149.9 Ų149.978%0.78381%0.81SS**  cis-146.5-130.4-17-760000105.8
1045A29Very low28.5Very low88 Ų88148.3 Ų148.373%0.72780%0.801SS**  cis-163176-4.600000109
1046K34.3Very low28.3Very low194 Ų194151.5 Ų151.584%0.84380%0.801SS**  trans64.1151.6-174.7-74.9-169.4174-175.60115.3
1047Q29.6Very low28.2Very low146 Ų146151 Ų15168%0.68280%0.797SS**  cis-167.7149.7-28.4-162.5163.7-6.800107.4
1048H32.6Very low28.1Very low155 Ų155146.5 Ų146.572%0.71879%0.791SS**  trans61.4125.2-166.9-71.8-82.9000113.8
1049D23.9Very low28.3Very low129 Ų129148 Ų14869%0.6979%0.79SS**  69.2119.853.6-57.5-48000113.4
1050N29.1Very low28.1Very low157 Ų157153.8 Ų153.884%0.8480%0.798SS**  trans43.474.7160.6-60.5-4.5000117
1051K27.4Very low28.2Very low203 Ų203153.8 Ų153.888%0.88379%0.789SS**  trans-125.388.6150.7-110.9169.6-176.4165.30110.9R1053K1051-R1053 PolarHBondContact O-N 3.3Å
1052E29Very low28Very low196 Ų196157.9 Ų157.992%0.91679%0.785SS**  trans-56.8103.9176.7-61.5177.9132.300110.9
1053R25.9Very low28Very low219 Ų219161.9 Ų161.983%0.82678%0.782SS**  trans-149.4145.5170-82.6-166.8167.1-176.8-5.5110.1K1051K1051-R1053 PolarHBondContact O-N 3.3Å
1054R26.7Very low27.8Very low223 Ų223155.8 Ų155.884%0.84277%0.771SS**  trans8873.9170.6-56.3133.8175.3-175.9-3.3116.6
1055T23.2Very low28Very low117 Ų117158.4 Ų158.472%0.71877%0.772SS**  56.4118.2118.355.90000120.4
1056N24.5Very low27.9Very low141 Ų141158.6 Ų158.675%0.75477%0.767SS**  trans92.9127140.8-54-8000119.9
1057S25.8Very low27.6Very low101 Ų101155.2 Ų155.271%0.70676%0.763SS**  trans64.5145.5139.160.30000120.2
1058N25.7Very low27.4Very low148 Ų148157.2 Ų157.279%0.79177%0.772SS**  cis-163.6-174-9.9-1105.5000109.3
1059D30.8Very low27.1Very low148 Ų148158.7 Ų158.779%0.79178%0.776SS**  trans96.4103.5160-60.1-15.6000118.4
1060R31.4Very low27.2Very low233 Ų233158.4 Ų158.488%0.87978%0.775SS**SBend-148.2126.282.4-92.3176-174.5-176.10.9111.9
1061D27.5Very low27.1Very low120 Ų120159.1 Ų159.164%0.64277%0.771SS**SBendtrans52.3121.3160.9-60.1-40.5000120
1062K26.8Very low27.2Very low161 Ų161154.2 Ų154.270%0.776%0.761SS**  cis-162.8146.8-7.4-130.7177.3-164.385.10111.4
1063Q27.2Very low27.3Very low164 Ų164150.4 Ų150.477%0.76674%0.739SS**  trans72.8127.2161.5-70174-16.300118
1064V27.1Very low27.4Very low116 Ų116144 Ų14470%0.70373%0.728SS**  cis89.1128.744159.20000110.3
1065E29.7Very low27.4Very low168 Ų168142.1 Ų142.179%0.78573%0.728SS**  cis-167.1-177.2-0.7-105.8176.6-176.500106.6
1066S28.5Very low27.6Very low91 Ų91141.6 Ų141.664%0.63673%0.729SS**  cis-174.4167-44.166.70000108.2
1067V26.8Very low27.7Very low123 Ų123138.7 Ų138.775%0.74573%0.733SS**  trans-139.6117.3157.2177.10000109.7
1068Q25.9Very low27.9Very low188 Ų188139.4 Ų139.488%0.87974%0.737SS**  trans-136.5159.1160.1-73.3-158.1-1.100112.2
1069K26.8Very low27.8Very low187 Ų187140.3 Ų140.381%0.81374%0.737SS**  trans-97.6156.8176.8-60.9167179.6167.40109.6
1070D26.5Very low27.7Very low123 Ų123142.4 Ų142.466%0.65874%0.739SS**  trans164.1156.1134.8-87.7-10.7000111.1
1071K26.9Very low27.5Very low172 Ų172139.8 Ų139.875%0.74873%0.734SS**  cis-154.7160.6-19.9-118.8160.8-166.7134.20109.8
1072S28.3Very low27.5Very low99 Ų99142.6 Ų142.669%0.69274%0.743SS**  trans-59.3155.7-178.256.90000117.4
1073R31.5Very low27.7Very low117 Ų117140.6 Ų140.644%0.44275%0.75SS.*  trans-171.8165.4140.5-99.2152.6-152.3-158.116.9112.1R1031 T1033R1031-R1073 VanDerWaalsContact C-NH1 3.27Å; R1031-R1073 VanDerWaalsContact O-CD 3.31Å; R1031-R1073 WeakPolarHBondContact O-CD 3.23Å; R1031-R1073 PolarHBondContact O-NH1 3.41Å; T1033-R1073 PolarHBondContact OG1-NH1 3.01Å
1074S27.4Very low27.8Very low85 Ų85142.9 Ų142.959%0.59476%0.757SS**  trans-142.4149.1-158.454.50000114.9
1075H28.3Very low27.8Very low182 Ų182147.1 Ų147.184%0.84377%0.766SS**  trans-178.4148.4131.7-112.924.9000116.4
1076S26.3Very low27.8Very low107 Ų107145.6 Ų145.675%0.74877%0.769SS**  trans25.6130.1152620000124.7
1077G27.1Very low27.7Very low80 Ų80149.9 Ų149.983%0.82578%0.776SS**  trans92.4134.2151.200000116.1
1078S28.8Very low27.7Very low115 Ų115151.4 Ų151.480%0.80478%0.779SS**  cis-155.5148.8-5.751.40000111.5
1079E24.4Very low28Very low167 Ų167150.6 Ų150.678%0.7877%0.772SS**  trans37.696.4160.2-62.4-165.6179.100121.2
1080K28.5Very low28.2Very low192 Ų192146 Ų14684%0.83576%0.764SS**  -179.115097.6-97157.5-173169.70113
1081K28.4Very low28.1Very low178 Ų178145.8 Ų145.877%0.77477%0.767SS**  trans7.3130.8167.7-61.1-174.8176.7-173.80120.2
1082Q26.5Very low27.9Very low179 Ų179144.5 Ų144.584%0.83677%0.768SS**  trans44.2135.4132.8-63.2155.9-42.900119.1
1083S30.3Very low28.1Very low120 Ų120145.5 Ų145.584%0.83978%0.775SS**  cis-150.6-172.122.758.20000112.9
1084K30.1Very low27.9Very low211 Ų211145.9 Ų145.992%0.91779%0.793SS**  trans-81.6160.1-172.3-71.3178.1178.7173.60113.7
1085K27.2Very low27.8Very low206 Ų206149.3 Ų149.390%0.89680%0.799SS**  trans-142.6135.9176.9-161173.6-170173.20112.2
1086T29.3Very low27.7Very low136 Ų136145.8 Ų145.883%0.83480%0.796SS**  trans-153.9161.6174.337.80000110.4
1087K26.4Very low27.7Very low181 Ų181146.6 Ų146.679%0.78780%0.795SS**  -165.4146.4-55.8-144.5-171.6178.8179.50109.7
1088L26.4Very low27.6Very low154 Ų154149 Ų14981%0.80678%0.783SS**  trans69.2174167.3-56.5153.2000116.4
1089K32Very low27.4Very low172 Ų172150 Ų15075%0.74878%0.776SS**  -172.2125.7-64.5179.3179.2-178.6-169.20110.9
1090S32.6Very low27.3Very low90 Ų90147.3 Ų147.363%0.62977%0.77SS**  trans-112.8175.8164.655.10000111.5
1091T22.7Very low27.2Very low118 Ų118143.3 Ų143.372%0.72476%0.758SS**  cis98.1133.5-4.174.50000121.2
1092D24.1Very low27.1Very low145 Ų145142 Ų14278%0.77575%0.752SS**  trans57.196.1147.8-52.6-6.3000124
1093S32.1Very low27Very low120 Ų120140.5 Ų140.584%0.83975%0.746SS**  trans-171.9153135.9-83.90000111.5
1094P26.3Very low26.9Very low126 Ų126141.8 Ų141.882%0.81874%0.738SS**PPolyproline II helixtrans-79145.6178.832.1-34.7000112.8
1095Q25.3Very low26.6Very low156 Ų156137.4 Ų137.473%0.72973%0.729SS**PPolyproline II helixtrans-77.9131.4164.6-71.7-174.4-82.900110.8
1096S25.9Very low26.6Very low109 Ų109134.4 Ų134.476%0.76273%0.728SS**PPolyproline II helixtrans-73.8128.5135.4530000109K1098S1096-K1098 PolarHBondContact O-N 3.19Å
1097V26.5Very low26.4Very low123 Ų123134.7 Ų134.775%0.74572%0.723SS**PPolyproline II helixtrans-62.8121.51641600000106.7
1098K26.3Very low26.4Very low130 Ų130133.3 Ų133.357%0.56572%0.723SS**  51.4140.581.6-77.8-177.8161.6-83.80112.2S1096S1096-K1098 PolarHBondContact O-N 3.19Å
1099E23.9Very low26.5Very low138 Ų138134.2 Ų134.265%0.64572%0.723SS**  cis-162.7164-8.4-116.7162.9173.500106.3
1100T23.1Very low26.6Very low110 Ų110132 Ų13268%0.67573%0.727SS**  cis-137.7-144.816.5-17.20000107.8
1101D26.8Very low26.7Very low107 Ų107135.4 Ų135.457%0.57274%0.738SS**  cis-151.6-178.74.7-143.6-3.8000115.3
1102K25.8Very low27.8Very low151 Ų151137.1 Ų137.166%0.65774%0.742SS**  trans-33.8160.4166.5-65.7154-152.9111.40116.6
1103E24.6Very low29.3Very low148 Ų148133.9 Ų133.969%0.69273%0.728SS**  cis-153.7139.334.6-157.4151.4-134.200118.1
1104Q28Very low30.7Very low147 Ų147134.4 Ų134.469%0.68772%0.717SS**  trans44.6112.7149.1-67.9173.852.100124.1
1105T22.5Very low32.3Very low119 Ų119129.1 Ų129.173%0.7368%0.683SS**  51.3139.8127.261.60000121.3
1106V27.6Very low33.9Very low142 Ų142122.4 Ų122.486%0.86166%0.656SS**  -143.9156.768.4163.30000113.1
1107I26.5Very low35.9Very low143 Ų143120.8 Ų120.873%0.73364%0.639SS**  trans-93.3145-176.7-64.8158.1000111.7
1108L25.9Very low37.5Very low152 Ų152124.4 Ų124.480%0.79665%0.647SS**  trans-171.9123132.4-102.6165.3000114.4
1109Q29Very low38.9Very low173 Ų173125.2 Ų125.281%0.80866%0.658SS**  trans67.5142.3164.1-59.9-174.9-4.200119.3
1110P33.4Very low41Very low126 Ų126120.2 Ų120.282%0.81863%0.633SS**PPolyproline II helixtrans-101.3148.1176.238.1-32.2000113.4
1111D35.2Very low43.1Very low160 Ų160123.6 Ų123.686%0.85664%0.641SS**PPolyproline II helixtrans-81163.9177-67.4-55.7000114
1112L45.9Very low45.5Very low155 Ų155120.4 Ų120.481%0.81262%0.623SS**PPolyproline II helixtrans-83.4147.3173-74156.9000111.1
1113P54.8Low47.7Very low76 Ų76114.1 Ų114.149%0.49460%0.597SS.*PPolyproline II helixtrans-67.1143.6-179.929.1-35.5000112
1114Q61.8Low49.7Very low131 Ų131114.1 Ų114.161%0.61260%0.597SS**  trans-106.5159.7-174-62.9-171.914.300112.4G1116 D1117 Y1120Q1114-G1116 PolarHBondContact O-N 3.36Å; Q1114-G1116 VanDerWaalsContact O-N 3.09Å; Q1114-D1117 PolarHBondContact N-OD2 2.9Å; Q1114-D1117 PolarHBondContact O-N 3.07Å; Q1114-Y1120 VanDerWaalsContact C-CD2 3.41Å; Q1114-Y1120 VanDerWaalsContact O-CD2 3.26Å; Q1114-Y1120 WeakPolarHBondContact O-CD2 3.31Å
1115P59.6Low51.8Low16 Ų16109.9 Ų109.910%0.10458%0.578CS.*THydrogen-bonded Turntrans-58.7116.5-176.6-22.931.6000113Y1120 E1562 E1563 A1566 K1570P1115-Y1120 HydrophobicContact CB-CD1 4.39Å; P1115-Y1120 HydrophobicContact CB-CE1 4.01Å; P1115-Y1120 HydrophobicContact CB-CE2 4.22Å; P1115-Y1120 HydrophobicContact CG-CE1 4.36Å; P1115-Y1120 HydrophobicContact CG-CE2 3.9Å; P1115-E1562 HydrophobicContact CG-CB 4.11Å; P1115-E1563 HydrophobicContact CB-CG 4.39Å; P1115-A1566 HydrophobicContact CB-CB 3.68Å; P1115-A1566 HydrophobicContact CG-CB 3.92Å; P1115-K1570 PolarHBondContact O-NZ 2.98Å
1116G59.9Low53.8Low14 Ų14109.9 Ų109.914%0.14458%0.58CS.*THydrogen-bonded Turntrans88.720.3-177.400000115.9Q1114Q1114-G1116 PolarHBondContact O-N 3.36Å; Q1114-G1116 VanDerWaalsContact O-N 3.09Å
1117D67.6Low55.9Low76 Ų76103.8 Ų103.841%0.40654%0.543SS..SBendtrans-74.9155.8152.6-65-24.9000110Q1114 N1119 Y1120Q1114-D1117 PolarHBondContact N-OD2 2.9Å; Q1114-D1117 PolarHBondContact O-N 3.07Å; D1117-N1119 PolarHBondContact O-N 3.43Å; D1117-Y1120 WeakPolarHBondContact O-CB 3.4Å; D1117-Y1120 PolarHBondContact O-N 3.29Å
1118E59.1Low58.2Low199 Ų199103 Ų10393%0.9354%0.538SS*.THydrogen-bonded Turntrans-57.4-20.9-176.7-64.7-171.915400115
1119N55.6Low60.5Low147 Ų147101 Ų10179%0.78653%0.529SS*.THydrogen-bonded Turntrans-105.87.8-179.2-62.6-80.9000113.2D1117D1117-N1119 PolarHBondContact O-N 3.43Å
1120Y68.8Low62.9Low33 Ų3399.7 Ų99.713%0.12952%0.522CS..  trans-80.6130.6177.9-166.1-90.3000111.1Q1114 P1115 D1117 F1122 E1563Q1114-Y1120 VanDerWaalsContact C-CD2 3.41Å; Q1114-Y1120 VanDerWaalsContact O-CD2 3.26Å; Q1114-Y1120 WeakPolarHBondContact O-CD2 3.31Å; P1115-Y1120 HydrophobicContact CB-CD1 4.39Å; P1115-Y1120 HydrophobicContact CB-CE1 4.01Å; P1115-Y1120 HydrophobicContact CB-CE2 4.22Å; P1115-Y1120 HydrophobicContact CG-CE1 4.36Å; P1115-Y1120 HydrophobicContact CG-CE2 3.9Å; D1117-Y1120 WeakPolarHBondContact O-CB 3.4Å; D1117-Y1120 PolarHBondContact O-N 3.29Å; Y1120-F1122 HydrophobicContact CD1-CD1 4.19Å; Y1120-F1122 HydrophobicContact CD1-CE1 4.27Å; Y1120-F1122 HydrophobicContact CE1-CD1 4.42Å; Y1120-E1563 HydrophobicContact CE1-CG 3.99Å
1121Q67.4Low65Low180 Ų18095.3 Ų95.384%0.84150%0.495SS*.  trans-96.6110.5179-176.8174.2-7.600110.3
1122F76.3Confident67.1Low41 Ų4187.7 Ų87.718%0.1845%0.454CS..  trans-70.8153.5-178.2-65.2-78.5000113.9V573 W576 Y1120 E1124 E1563V573-F1122 HydrophobicContact CB-CE1 4.42Å; V573-F1122 HydrophobicContact CG1-CE1 4.06Å; V573-F1122 HydrophobicContact CG2-CE1 4.18Å; W576-F1122 HydrophobicContact CB-CE2 4.37Å; W576-F1122 HydrophobicContact CB-CZ 4.45Å; W576-F1122 AromaticContact CD1-CD2 3.79Å; W576-F1122 HydrophobicContact CD2-CB 3.9Å; W576-F1122 HydrophobicContact CD2-CD1 4.24Å; W576-F1122 HydrophobicContact CD2-CD2 4.06Å; W576-F1122 AromaticContact CD2-CG 3.81Å; W576-F1122 HydrophobicContact CD2-CG 3.81Å; W576-F1122 AromaticContact CE2-CG 3.9Å; W576-F1122 HydrophobicContact CE3-CB 4.07Å; W576-F1122 HydrophobicContact CE3-CD1 4.17Å; W576-F1122 HydrophobicContact CE3-CG 4.11Å; W576-F1122 AromaticContact CG-CD2 3.92Å; W576-F1122 HydrophobicContact CG-CD2 3.92Å; W576-F1122 HydrophobicContact CG-CE2 4.15Å; W576-F1122 HydrophobicContact CG-CG 4.14Å; W576-F1122 HydrophobicContact CH2-CB 3.67Å; W576-F1122 HydrophobicContact CZ2-CB 3.47Å; W576-F1122 VanDerWaalsContact CZ2-CB 3.47Å; W576-F1122 HydrophobicContact CZ2-CG 4.3Å; W576-F1122 HydrophobicContact CZ3-CB 3.95Å; W576-F1122 HydrophobicContact CZ3-CG 4.45Å; W576-F1122 AromaticContact NE1-CD2 3.88Å; Y1120-F1122 HydrophobicContact CD1-CD1 4.19Å; Y1120-F1122 HydrophobicContact CD1-CE1 4.27Å; Y1120-F1122 HydrophobicContact CE1-CD1 4.42Å; F1122-E1124 PolarHBondContact O-N 3.22Å; F1122-E1563 WeakPolarHBondContact CA-OE1 3.31Å
1123V71.4Confident68.8Low18 Ų1884.6 Ų84.611%0.10944%0.435CS..  trans-78.1101.5-1771780000112.4L1125 V1556 H1559 I1560 E1563V1123-L1125 HydrophobicContact CG1-CD1 4.39Å; V1123-L1125 HydrophobicContact CG1-CG 3.9Å; V1123-L1125 PolarHBondContact O-N 2.86Å; V1123-L1125 VanDerWaalsContact O-N 3.17Å; V1123-V1556 HydrophobicContact CG1-CG1 3.81Å; V1123-H1559 HydrophobicContact CG2-CB 3.75Å; V1123-I1560 HydrophobicContact CB-CG1 4.25Å; V1123-I1560 HydrophobicContact CG1-CD1 4.11Å; V1123-I1560 HydrophobicContact CG1-CG1 3.86Å; V1123-I1560 HydrophobicContact CG2-CG1 4.31Å; V1123-E1563 PolarHBondContact N-OE1 2.87Å
1124E66.6Low70.2Confident148 Ų14884.9 Ų84.969%0.69243%0.432SS*.  trans-87.754.2-179.9-68.5-169.2159.800114.7W576 R580 F1122W576-E1124 HydrophobicContact CH2-CG 4.36Å; W576-E1124 HydrophobicContact CZ2-CG 3.88Å; R580-E1124 VanDerWaalsContact NH2-C 3.27Å; R580-E1124 VanDerWaalsContact NH2-CA 3.35Å; F1122-E1124 PolarHBondContact O-N 3.22Å
1125L72.1Confident71.3Confident58 Ų5879.4 Ų79.430%0.30441%0.406SS..  trans-71.2144.3170-73.4-176000112.1R580 V1123 V1127 M1285 V1556 I1560R580-L1125 PolarHBondContact NH1-O 2.97Å; R580-L1125 VanDerWaalsContact NH1-O 3.14Å; R580-L1125 PolarHBondContact NH2-O 3.33Å; V1123-L1125 HydrophobicContact CG1-CD1 4.39Å; V1123-L1125 HydrophobicContact CG1-CG 3.9Å; V1123-L1125 PolarHBondContact O-N 2.86Å; V1123-L1125 VanDerWaalsContact O-N 3.17Å; L1125-V1127 PolarHBondContact O-N 3.44Å; L1125-M1285 HydrophobicContact CB-CB 4.37Å; L1125-M1285 HydrophobicContact CB-CG 4.49Å; L1125-M1285 HydrophobicContact CB-SD 4.3Å; L1125-M1285 VanDerWaalsContact CD1-O 3.3Å; L1125-M1285 WeakPolarHBondContact CD1-O 3.33Å; L1125-V1556 HydrophobicContact CD1-CG1 3.9Å; L1125-V1556 HydrophobicContact CD2-CG1 4.33Å; L1125-V1556 HydrophobicContact CG-CG1 4.16Å; L1125-I1560 HydrophobicContact CD1-CD1 3.78Å
1126P65.4Low72.4Confident119 Ų11980.7 Ų80.777%0.77341%0.409SS*.  trans-60.8133.7177.4-23.134.1000112.7
1127V71.5Confident73.5Confident14 Ų1485 Ų859%0.08543%0.426CS..  trans-108.4136.4172.2177.80000107.8L584 L1125 N1129 A1132 Y1281 V1284 M1285L584-V1127 HydrophobicContact CD1-CB 4.36Å; L1125-V1127 PolarHBondContact O-N 3.44Å; V1127-N1129 PolarHBondContact O-N 3.09Å; V1127-A1132 HydrophobicContact CG1-CB 4.1Å; V1127-Y1281 HydrophobicContact CG2-CE2 4.19Å; V1127-V1284 HydrophobicContact CG1-CG1 4Å; V1127-M1285 HydrophobicContact CG2-CG 3.67Å; V1127-M1285 HydrophobicContact CG2-SD 4.15Å
1128M74.9Confident74.4Confident126 Ų12683.3 Ų83.362%0.62142%0.415SS*.  trans-60.9129.7174.4-69.9-76.9-77.400110.2E1130 S1131 A1132M1128-E1130 PolarHBondContact O-N 3.25Å; M1128-S1131 CarbonylContact O-C 3.59Å; M1128-S1131 WeakPolarHBondContact O-CA 3.34Å; M1128-S1131 WeakPolarHBondContact O-CB 2.74Å; M1128-S1131 PolarHBondContact O-N 2.88Å; M1128-A1132 PolarHBondContact O-N 2.81Å
1129N74.9Confident75.7Confident112 Ų11274.4 Ų74.460%0.59937%0.373SS*.Hα-helixtrans-56.6-37.7-176.2-70.24.2000112.9V1127 A1132 H1133V1127-N1129 PolarHBondContact O-N 3.09Å; N1129-A1132 PolarHBondContact O-N 3.14Å; N1129-H1133 PolarHBondContact O-N 2.66Å
1130E77.8Confident76.9Confident145 Ų14569.1 Ų69.168%0.67835%0.345SS*.Hα-helixtrans-60.6-45.9175.2-63.9170.6176.500111.4M1128 A1132 H1133 I1134M1128-E1130 PolarHBondContact O-N 3.25Å; E1130-A1132 VanDerWaalsContact C-N 3.33Å; E1130-A1132 PolarHBondContact O-N 2.8Å; E1130-H1133 PolarHBondContact O-N 3Å; E1130-I1134 WeakPolarHBondContact O-CD1 3.34Å; E1130-I1134 VanDerWaalsContact O-CG1 3.27Å; E1130-I1134 WeakPolarHBondContact O-CG1 3.5Å; E1130-I1134 PolarHBondContact O-N 3.14Å
1131S78.1Confident77.7Confident34 Ų3469.9 Ų69.924%0.23835%0.354CS..Hα-helixtrans-66.3-34.3174.5-47.90000112.2M1128 I1134 L1135M1128-S1131 CarbonylContact O-C 3.59Å; M1128-S1131 WeakPolarHBondContact O-CA 3.34Å; M1128-S1131 WeakPolarHBondContact O-CB 2.74Å; M1128-S1131 PolarHBondContact O-N 2.88Å; S1131-I1134 PolarHBondContact O-N 3.23Å; S1131-L1135 WeakPolarHBondContact O-CB 3.43Å; S1131-L1135 WeakPolarHBondContact O-CD1 3.46Å; S1131-L1135 WeakPolarHBondContact O-CG 3.46Å; S1131-L1135 PolarHBondContact O-N 3.18Å
1132A80.2Confident78.4Confident0 Ų061.8 Ų61.80%032%0.317CS..Hα-helixtrans-68.7-35.1175.600000112.6L581 L584 N585 V1127 M1128 N1129 E1130 W1136L581-A1132 HydrophobicContact CD2-CB 3.92Å; L584-A1132 HydrophobicContact CB-CB 4.16Å; L584-A1132 HydrophobicContact CD1-CB 3.87Å; N585-A1132 PolarHBondContact ND2-O 2.87Å; V1127-A1132 HydrophobicContact CG1-CB 4.1Å; M1128-A1132 PolarHBondContact O-N 2.81Å; N1129-A1132 PolarHBondContact O-N 3.14Å; E1130-A1132 VanDerWaalsContact C-N 3.33Å; E1130-A1132 PolarHBondContact O-N 2.8Å; A1132-W1136 VanDerWaalsContact O-CB 3.26Å; A1132-W1136 WeakPolarHBondContact O-CB 3.4Å; A1132-W1136 PolarHBondContact O-N 3.47Å; A1132-W1136 VanDerWaalsContact O-N 3.17Å
1133H80.1Confident78.8Confident90 Ų9060.1 Ų60.142%0.41731%0.31SS..Hα-helixtrans-64.9-52.5170.8-169-74.6000110.7N585 N1129 E1130 L1135 W1136 E1137N585-H1133 PolarHBondContact OD1-N 3.13Å; N1129-H1133 PolarHBondContact O-N 2.66Å; E1130-H1133 PolarHBondContact O-N 3Å; H1133-L1135 PolarHBondContact O-N 2.62Å; H1133-W1136 PolarHBondContact O-N 2.67Å; H1133-W1136 VanDerWaalsContact O-N 3.16Å; H1133-E1137 IonicContact CE1-OE2 2.72Å; H1133-E1137 PolarHBondContact CE1-OE2 3.33Å; H1133-E1137 IonicContact ND1-OE2 2.71Å; H1133-E1137 PolarHBondContact ND1-OE2 3.27Å; H1133-E1137 WeakPolarHBondContact O-CB 3.44Å; H1133-E1137 PolarHBondContact O-N 2.81Å
1134I84.6Confident79.3Confident81 Ų8161.9 Ų61.942%0.41532%0.321SS..Hα-helixtrans-59.6-45.1-177.8-69.5165.5000111.9E1130 S1131 W1136 E1137 F1138 I1304E1130-I1134 WeakPolarHBondContact O-CD1 3.34Å; E1130-I1134 VanDerWaalsContact O-CG1 3.27Å; E1130-I1134 WeakPolarHBondContact O-CG1 3.5Å; E1130-I1134 PolarHBondContact O-N 3.14Å; S1131-I1134 PolarHBondContact O-N 3.23Å; I1134-W1136 VanDerWaalsContact C-N 3.35Å; I1134-W1136 PolarHBondContact O-N 3.5Å; I1134-E1137 PolarHBondContact O-N 3.44Å; I1134-F1138 WeakPolarHBondContact O-CB 3.44Å; I1134-F1138 PolarHBondContact O-N 2.91Å; I1134-I1304 HydrophobicContact CG2-CD1 3.39Å
1135L84.3Confident80.1Confident16 Ų1658 Ų588%0.08430%0.304CS..Hα-helixtrans-67.9-33.2178.1-69.2168.1000112.4L581 S1131 H1133 W1139 L1277 D1280 Y1281L581-L1135 HydrophobicContact CD1-CB 4.08Å; L581-L1135 HydrophobicContact CD2-CB 4.22Å; S1131-L1135 WeakPolarHBondContact O-CB 3.43Å; S1131-L1135 WeakPolarHBondContact O-CD1 3.46Å; S1131-L1135 WeakPolarHBondContact O-CG 3.46Å; S1131-L1135 PolarHBondContact O-N 3.18Å; H1133-L1135 PolarHBondContact O-N 2.62Å; L1135-W1139 PolarHBondContact O-N 3.5Å; L1135-L1277 HydrophobicContact CB-CD1 4.11Å; L1135-L1277 HydrophobicContact CD2-CD1 3.98Å; L1135-D1280 HydrophobicContact CD2-CB 4.21Å; L1135-Y1281 HydrophobicContact CD1-CD2 4.36Å
1136W83.4Confident80.9Confident44 Ų4455.5 Ų55.517%0.16729%0.291CS..Hα-helixtrans-72.1-41174.4176.481.1000112.4L581 N585 F586 A1132 H1133 I1134 W1139 N1140L581-W1136 HydrophobicContact CB-CB 4.36Å; N585-W1136 WeakPolarHBondContact ND2-CB 3.28Å; F586-W1136 HydrophobicContact CE2-CD2 4.37Å; F586-W1136 AromaticContact CE2-CE2 3.87Å; F586-W1136 AromaticContact CE2-CH2 3.9Å; F586-W1136 HydrophobicContact CE2-CH2 3.9Å; F586-W1136 AromaticContact CE2-CZ2 3.64Å; F586-W1136 HydrophobicContact CE2-CZ2 3.64Å; F586-W1136 HydrophobicContact CE2-CZ3 4.36Å; F586-W1136 AromaticContact CZ-CH2 3.85Å; F586-W1136 HydrophobicContact CZ-CH2 3.85Å; F586-W1136 HydrophobicContact CZ-CZ2 4.03Å; F586-W1136 HydrophobicContact CZ-CZ3 4.31Å; A1132-W1136 VanDerWaalsContact O-CB 3.26Å; A1132-W1136 WeakPolarHBondContact O-CB 3.4Å; A1132-W1136 PolarHBondContact O-N 3.47Å; A1132-W1136 VanDerWaalsContact O-N 3.17Å; H1133-W1136 PolarHBondContact O-N 2.67Å; H1133-W1136 VanDerWaalsContact O-N 3.16Å; I1134-W1136 VanDerWaalsContact C-N 3.35Å; I1134-W1136 PolarHBondContact O-N 3.5Å; W1136-W1139 PolarHBondContact O-N 3.08Å; W1136-N1140 HydrophobicContact CZ2-CB 4.41Å; W1136-N1140 WeakPolarHBondContact O-CB 3.37Å; W1136-N1140 PolarHBondContact O-N 3.29Å
1137E83.8Confident81.9Confident105 Ų10550.9 Ų50.949%0.49126%0.26SS..Hα-helixtrans-67.2-38.3177.7-171.8172.2-177.800111.2H1133 I1134 N1140 S1141H1133-E1137 IonicContact CE1-OE2 2.72Å; H1133-E1137 PolarHBondContact CE1-OE2 3.33Å; H1133-E1137 IonicContact ND1-OE2 2.71Å; H1133-E1137 PolarHBondContact ND1-OE2 3.27Å; H1133-E1137 WeakPolarHBondContact O-CB 3.44Å; H1133-E1137 PolarHBondContact O-N 2.81Å; I1134-E1137 PolarHBondContact O-N 3.44Å; E1137-N1140 PolarHBondContact O-N 3.07Å; E1137-S1141 WeakPolarHBondContact O-CB 3.41Å; E1137-S1141 PolarHBondContact O-N 3.3Å; E1137-S1141 PolarHBondContact O-OG 3.22Å
1138F85Confident82.6Confident40 Ų4056.1 Ų56.118%0.17528%0.278CS..Hα-helixtrans-61.4-45.2169-179-103.4000112.2I1134 S1141 T1142 E1273 L1277I1134-F1138 WeakPolarHBondContact O-CB 3.44Å; I1134-F1138 PolarHBondContact O-N 2.91Å; F1138-S1141 WeakPolarHBondContact CA-OG 3.39Å; F1138-S1141 PolarHBondContact O-OG 2.82Å; F1138-S1141 VanDerWaalsContact O-OG 3.07Å; F1138-T1142 HydrophobicContact CD2-CG2 4.32Å; F1138-T1142 HydrophobicContact CE1-CG2 4.16Å; F1138-T1142 HydrophobicContact CE2-CG2 3.91Å; F1138-T1142 HydrophobicContact CZ-CG2 3.82Å; F1138-T1142 WeakPolarHBondContact O-CB 3.48Å; F1138-T1142 WeakPolarHBondContact O-CG2 3.34Å; F1138-T1142 PolarHBondContact O-N 3.28Å; F1138-T1142 PolarHBondContact O-OG1 3.01Å; F1138-E1273 HydrophobicContact CZ-CB 4.46Å; F1138-L1277 HydrophobicContact CD1-CB 4.3Å; F1138-L1277 HydrophobicContact CD1-CD1 4.25Å; F1138-L1277 HydrophobicContact CE1-CB 4.17Å
1139W86.5Confident83.1Confident11 Ų1150.7 Ų50.74%0.04225%0.252CS..Hα-helixtrans-65.6-41.4176.1-179.868.3000112.7I578 P749 L751 L1135 W1136 T1142 E1143 L1277I578-W1139 HydrophobicContact CD1-CD2 4.14Å; I578-W1139 HydrophobicContact CD1-CH2 4.49Å; I578-W1139 HydrophobicContact CD1-CZ2 3.74Å; I578-W1139 HydrophobicContact CG1-CD2 4.07Å; I578-W1139 HydrophobicContact CG1-CG 4.34Å; I578-W1139 HydrophobicContact CG1-CZ2 4.41Å; I578-W1139 HydrophobicContact CG2-CD2 4.25Å; I578-W1139 HydrophobicContact CG2-CE3 3.95Å; I578-W1139 HydrophobicContact CG2-CH2 3.87Å; I578-W1139 HydrophobicContact CG2-CZ2 4.2Å; I578-W1139 HydrophobicContact CG2-CZ3 3.74Å; P749-W1139 HydrophobicContact CB-CH2 3.94Å; P749-W1139 HydrophobicContact CG-CH2 3.84Å; P749-W1139 HydrophobicContact CG-CZ3 4.13Å; L751-W1139 HydrophobicContact CD2-CZ2 4.35Å; L1135-W1139 PolarHBondContact O-N 3.5Å; W1136-W1139 PolarHBondContact O-N 3.08Å; W1139-T1142 WeakPolarHBondContact CA-OG1 3.38Å; W1139-T1142 PolarHBondContact O-OG1 3.02Å; W1139-T1142 VanDerWaalsContact O-OG1 3.07Å; W1139-E1143 HydrophobicContact CZ2-CB 4.22Å; W1139-E1143 HydrophobicContact CZ2-CG 3.93Å; W1139-E1143 VanDerWaalsContact O-CB 3.25Å; W1139-E1143 WeakPolarHBondContact O-CB 3.45Å; W1139-E1143 PolarHBondContact O-N 2.94Å; W1139-L1277 HydrophobicContact CB-CD2 3.83Å; W1139-L1277 HydrophobicContact CG-CD2 3.96Å
1140N82.3Confident83.7Confident37 Ų3745.4 Ų45.420%0.19822%0.223CC..Hα-helixtrans-69.1-39-179.2-166.630.6000111.5W1136 E1137 T1144W1136-N1140 HydrophobicContact CZ2-CB 4.41Å; W1136-N1140 WeakPolarHBondContact O-CB 3.37Å; W1136-N1140 PolarHBondContact O-N 3.29Å; E1137-N1140 PolarHBondContact O-N 3.07Å; N1140-T1144 WeakPolarHBondContact O-CB 3.48Å; N1140-T1144 VanDerWaalsContact O-CG2 3.26Å; N1140-T1144 WeakPolarHBondContact O-CG2 3.18Å; N1140-T1144 PolarHBondContact O-N 2.99Å; N1140-T1144 PolarHBondContact O-OG1 3.46Å
1141S85.1Confident84.1Confident48 Ų4841 Ų4134%0.33620%0.202SC..Hα-helixtrans-68.1-45.1174.352.20000112.5E1137 F1138 T1144 I1145E1137-S1141 WeakPolarHBondContact O-CB 3.41Å; E1137-S1141 PolarHBondContact O-N 3.3Å; E1137-S1141 PolarHBondContact O-OG 3.22Å; F1138-S1141 WeakPolarHBondContact CA-OG 3.39Å; F1138-S1141 PolarHBondContact O-OG 2.82Å; F1138-S1141 VanDerWaalsContact O-OG 3.07Å; S1141-T1144 WeakPolarHBondContact CA-OG1 3.36Å; S1141-T1144 PolarHBondContact O-N 3.22Å; S1141-T1144 PolarHBondContact O-OG1 3.49Å; S1141-T1144 VanDerWaalsContact O-OG1 3.09Å; S1141-I1145 WeakPolarHBondContact O-CB 3.44Å; S1141-I1145 WeakPolarHBondContact O-CD1 3.41Å; S1141-I1145 WeakPolarHBondContact O-CG1 3.14Å; S1141-I1145 PolarHBondContact O-N 3.02Å
1142T81.5Confident84.5Confident10 Ų1040.1 Ų40.16%0.06120%0.196CC..Hα-helixtrans-63.5-47176490000112.3F1138 W1139 T1144 I1145 Y1146 E1273F1138-T1142 HydrophobicContact CD2-CG2 4.32Å; F1138-T1142 HydrophobicContact CE1-CG2 4.16Å; F1138-T1142 HydrophobicContact CE2-CG2 3.91Å; F1138-T1142 HydrophobicContact CZ-CG2 3.82Å; F1138-T1142 WeakPolarHBondContact O-CB 3.48Å; F1138-T1142 WeakPolarHBondContact O-CG2 3.34Å; F1138-T1142 PolarHBondContact O-N 3.28Å; F1138-T1142 PolarHBondContact O-OG1 3.01Å; W1139-T1142 WeakPolarHBondContact CA-OG1 3.38Å; W1139-T1142 PolarHBondContact O-OG1 3.02Å; W1139-T1142 VanDerWaalsContact O-OG1 3.07Å; T1142-T1144 PolarHBondContact O-N 2.98Å; T1142-I1145 PolarHBondContact O-N 3.45Å; T1142-Y1146 WeakPolarHBondContact O-CB 3.49Å; T1142-Y1146 PolarHBondContact O-N 3.34Å; T1142-E1273 HydrophobicContact CG2-CB 4.03Å; T1142-E1273 HydrophobicContact CG2-CG 3.91Å
1143E84.5Confident84.7Confident7 Ų740.1 Ų40.13%0.03320%0.196CC..Hα-helixtrans-68.9-31.8179.1-171.366.6-135.500112.1P749 W1139 Y1146 N1147 R1270P749-E1143 HydrophobicContact CB-CG 4.06Å; P749-E1143 HydrophobicContact CG-CG 4.1Å; W1139-E1143 HydrophobicContact CZ2-CB 4.22Å; W1139-E1143 HydrophobicContact CZ2-CG 3.93Å; W1139-E1143 VanDerWaalsContact O-CB 3.25Å; W1139-E1143 WeakPolarHBondContact O-CB 3.45Å; W1139-E1143 PolarHBondContact O-N 2.94Å; E1143-Y1146 VanDerWaalsContact OE1-CD1 3.26Å; E1143-Y1146 WeakPolarHBondContact OE1-CD1 3.28Å; E1143-Y1146 WeakPolarHBondContact OE1-CE1 3.36Å; E1143-N1147 WeakPolarHBondContact O-CB 3.41Å; E1143-N1147 PolarHBondContact O-N 3.21Å; E1143-N1147 PolarHBondContact O-ND2 3.39Å; E1143-N1147 PolarHBondContact OE1-ND2 3.38Å; E1143-R1270 IonicContact OE2-CZ 3.17Å; E1143-R1270 IonicContact OE2-NE 2.72Å; E1143-R1270 PolarHBondContact OE2-NE 2.87Å; E1143-R1270 IonicContact OE2-NH2 3.59Å; E1143-R1270 PolarHBondContact OE2-NH2 3.42Å
1144T82.2Confident85.1Confident55 Ų5536 Ų3634%0.33718%0.176SC..Hα-helixtrans-73-40.5172.450.60000113.1N1140 S1141 T1142 N1147 R1148N1140-T1144 WeakPolarHBondContact O-CB 3.48Å; N1140-T1144 VanDerWaalsContact O-CG2 3.26Å; N1140-T1144 WeakPolarHBondContact O-CG2 3.18Å; N1140-T1144 PolarHBondContact O-N 2.99Å; N1140-T1144 PolarHBondContact O-OG1 3.46Å; S1141-T1144 WeakPolarHBondContact CA-OG1 3.36Å; S1141-T1144 PolarHBondContact O-N 3.22Å; S1141-T1144 PolarHBondContact O-OG1 3.49Å; S1141-T1144 VanDerWaalsContact O-OG1 3.09Å; T1142-T1144 PolarHBondContact O-N 2.98Å; T1144-N1147 PolarHBondContact O-N 3Å; T1144-R1148 WeakPolarHBondContact O-CB 3.42Å; T1144-R1148 PolarHBondContact O-N 3.13Å
1145I84.7Confident85.2Confident66 Ų6635.9 Ų35.934%0.33817%0.171SC..Hα-helixtrans-61.7-45.8173.1-70.8166.1000110.3S1141 T1142 R1148 N1149S1141-I1145 WeakPolarHBondContact O-CB 3.44Å; S1141-I1145 WeakPolarHBondContact O-CD1 3.41Å; S1141-I1145 WeakPolarHBondContact O-CG1 3.14Å; S1141-I1145 PolarHBondContact O-N 3.02Å; T1142-I1145 PolarHBondContact O-N 3.45Å; I1145-R1148 PolarHBondContact O-N 2.99Å; I1145-N1149 WeakPolarHBondContact CG2-ND2 3.44Å; I1145-N1149 VanDerWaalsContact O-CB 3.29Å; I1145-N1149 WeakPolarHBondContact O-CB 3.44Å; I1145-N1149 PolarHBondContact O-N 3.33Å; I1145-N1149 PolarHBondContact O-ND2 3.42Å; I1145-N1149 PolarHBondContact O-OD1 3.23Å
1146Y87.1Confident85.1Confident6 Ų636.6 Ų36.62%0.02417%0.174CC..Hα-helixtrans-54.1-53.8174.8164.5-105.8000112.3T1142 E1143 R1148 N1149 L1150 I1266 E1267 R1270 R1578T1142-Y1146 WeakPolarHBondContact O-CB 3.49Å; T1142-Y1146 PolarHBondContact O-N 3.34Å; E1143-Y1146 VanDerWaalsContact OE1-CD1 3.26Å; E1143-Y1146 WeakPolarHBondContact OE1-CD1 3.28Å; E1143-Y1146 WeakPolarHBondContact OE1-CE1 3.36Å; Y1146-R1148 PolarHBondContact O-N 3.1Å; Y1146-N1149 PolarHBondContact O-N 3.08Å; Y1146-L1150 HydrophobicContact CD2-CD1 4.48Å; Y1146-L1150 HydrophobicContact CD2-CG 4.41Å; Y1146-L1150 HydrophobicContact CE1-CD1 3.88Å; Y1146-L1150 HydrophobicContact CE2-CD1 3.74Å; Y1146-L1150 HydrophobicContact CE2-CD2 4.47Å; Y1146-L1150 HydrophobicContact CE2-CG 4Å; Y1146-L1150 PolarHBondContact O-N 2.9Å; Y1146-L1150 WeakPolarHBondContact OH-CD1 3.35Å; Y1146-I1266 HydrophobicContact CD2-CG2 3.31Å; Y1146-I1266 HydrophobicContact CE2-CG2 3.6Å; Y1146-I1266 HydrophobicContact CG-CG2 4.46Å; Y1146-E1267 WeakPolarHBondContact CE2-OE1 3.43Å; Y1146-E1267 PolarHBondContact OH-OE1 3.01Å; Y1146-R1270 HydrophobicContact CD2-CB 4.01Å; Y1146-R1270 VanDerWaalsContact CD2-CD 3.46Å; Y1146-R1270 HydrophobicContact CD2-CG 4.22Å; Y1146-R1270 HydrophobicContact CE2-CB 4.31Å; Y1146-R1270 HydrophobicContact CE2-CG 4.44Å; Y1146-R1270 HydrophobicContact CG-CG 4.49Å; Y1146-R1578 PolarHBondContact OH-NH1 3.41Å; Y1146-R1578 PolarHBondContact OH-NH2 3.46Å
1147N87Confident85.2Confident22 Ų2234.6 Ų34.612%0.11817%0.167CC..Hα-helixtrans-66.3-39-178.2-75-61.5000112L509 Q513 E1143 T1144 N1149 L1150 K1151L509-N1147 WeakPolarHBondContact CD1-OD1 3.42Å; L509-N1147 HydrophobicContact CD2-CB 4.03Å; Q513-N1147 PolarHBondContact NE2-OD1 3.42Å; E1143-N1147 WeakPolarHBondContact O-CB 3.41Å; E1143-N1147 PolarHBondContact O-N 3.21Å; E1143-N1147 PolarHBondContact O-ND2 3.39Å; E1143-N1147 PolarHBondContact OE1-ND2 3.38Å; T1144-N1147 PolarHBondContact O-N 3Å; N1147-N1149 PolarHBondContact O-N 2.69Å; N1147-L1150 PolarHBondContact O-N 3.4Å; N1147-K1151 WeakPolarHBondContact O-CG 3.26Å; N1147-K1151 PolarHBondContact O-N 3.23Å; N1147-K1151 VanDerWaalsContact O-N 3.09Å
1148R86.5Confident85.2Confident123 Ų12331 Ų3146%0.46415%0.148SC..Hα-helixtrans-60.7-42.7172.7-175.4-177.966.582-1.7112.1T1144 I1145 Y1146 S1152T1144-R1148 WeakPolarHBondContact O-CB 3.42Å; T1144-R1148 PolarHBondContact O-N 3.13Å; I1145-R1148 PolarHBondContact O-N 2.99Å; Y1146-R1148 PolarHBondContact O-N 3.1Å; R1148-S1152 PolarHBondContact O-N 3.42Å; R1148-S1152 VanDerWaalsContact O-N 3.08Å
1149N86.3Confident84.9Confident13 Ų1331.6 Ų31.67%0.0716%0.158CC..Hα-helixtrans-71.9-37.1-177.8-67.3-9.7000111.7I1145 Y1146 N1147 S1152 I1153 I1266 P1378I1145-N1149 WeakPolarHBondContact CG2-ND2 3.44Å; I1145-N1149 VanDerWaalsContact O-CB 3.29Å; I1145-N1149 WeakPolarHBondContact O-CB 3.44Å; I1145-N1149 PolarHBondContact O-N 3.33Å; I1145-N1149 PolarHBondContact O-ND2 3.42Å; I1145-N1149 PolarHBondContact O-OD1 3.23Å; Y1146-N1149 PolarHBondContact O-N 3.08Å; N1147-N1149 PolarHBondContact O-N 2.69Å; N1149-S1152 PolarHBondContact O-N 2.83Å; N1149-I1153 PolarHBondContact O-N 3.41Å; N1149-I1266 HydrophobicContact CB-CD1 3.57Å; N1149-I1266 HydrophobicContact CB-CG1 4.22Å; N1149-P1378 WeakPolarHBondContact OD1-CG 3.42Å
1150L86.8Confident84.6Confident0 Ų032.4 Ų32.40%016%0.163CC..Hα-helixtrans-60-50.9171-78.7-172.6000111.9L509 Y512 Y1146 N1147 S1152 I1153 F1154 L1263 I1266L509-L1150 HydrophobicContact CD1-CB 4.02Å; L509-L1150 HydrophobicContact CD1-CD1 3.6Å; L509-L1150 HydrophobicContact CD1-CG 4.49Å; Y512-L1150 HydrophobicContact CD1-CD1 3.81Å; Y512-L1150 HydrophobicContact CE1-CD1 3.84Å; Y1146-L1150 HydrophobicContact CD2-CD1 4.48Å; Y1146-L1150 HydrophobicContact CD2-CG 4.41Å; Y1146-L1150 HydrophobicContact CE1-CD1 3.88Å; Y1146-L1150 HydrophobicContact CE2-CD1 3.74Å; Y1146-L1150 HydrophobicContact CE2-CD2 4.47Å; Y1146-L1150 HydrophobicContact CE2-CG 4Å; Y1146-L1150 PolarHBondContact O-N 2.9Å; Y1146-L1150 WeakPolarHBondContact OH-CD1 3.35Å; N1147-L1150 PolarHBondContact O-N 3.4Å; L1150-S1152 VanDerWaalsContact C-N 3.33Å; L1150-S1152 PolarHBondContact O-N 3.39Å; L1150-I1153 PolarHBondContact O-N 2.82Å; L1150-I1153 VanDerWaalsContact O-N 3.12Å; L1150-F1154 HydrophobicContact CB-CD2 4.48Å; L1150-F1154 HydrophobicContact CB-CE2 4.1Å; L1150-F1154 HydrophobicContact CD2-CZ 4.24Å; L1150-F1154 WeakPolarHBondContact O-CD2 3.34Å; L1150-F1154 WeakPolarHBondContact O-CG 3.48Å; L1150-F1154 PolarHBondContact O-N 3.49Å; L1150-L1263 HydrophobicContact CD2-CD2 3.61Å; L1150-I1266 HydrophobicContact CD2-CD1 4.33Å; L1150-I1266 HydrophobicContact CD2-CG2 3.98Å; L1150-I1266 HydrophobicContact CG-CG2 4.18Å
1151K87Confident84.2Confident52 Ų5232.4 Ų32.423%0.22616%0.163CC..Hα-helixtrans-50.6-52.4175.7-76.4-172.7170-165.20111.4D505 D506 L509 N1147 I1153 F1154 R1155D505-K1151 HydrophobicContact CB-CB 3.93Å; D505-K1151 HydrophobicContact CB-CD 4.05Å; D505-K1151 HydrophobicContact CB-CG 3.89Å; D506-K1151 WeakPolarHBondContact OD1-CE 3.27Å; D506-K1151 IonicContact OD1-NZ 2.64Å; D506-K1151 PolarHBondContact OD1-NZ 2.81Å; D506-K1151 IonicContact OD2-NZ 2.7Å; L509-K1151 HydrophobicContact CD2-CG 4.26Å; N1147-K1151 WeakPolarHBondContact O-CG 3.26Å; N1147-K1151 PolarHBondContact O-N 3.23Å; N1147-K1151 VanDerWaalsContact O-N 3.09Å; K1151-I1153 VanDerWaalsContact C-N 3.3Å; K1151-I1153 PolarHBondContact O-N 3.47Å; K1151-F1154 PolarHBondContact O-N 3.15Å; K1151-F1154 VanDerWaalsContact O-N 3.16Å; K1151-R1155 WeakPolarHBondContact O-CB 3.09Å; K1151-R1155 PolarHBondContact O-N 3.3Å
1152S86.2Confident83.7Confident17 Ų1733.8 Ų33.812%0.11917%0.172CC..Hα-helixtrans-56.1-39179.4-174.50000113.5R1148 N1149 L1150 Q1156R1148-S1152 PolarHBondContact O-N 3.42Å; R1148-S1152 VanDerWaalsContact O-N 3.08Å; N1149-S1152 PolarHBondContact O-N 2.83Å; L1150-S1152 VanDerWaalsContact C-N 3.33Å; L1150-S1152 PolarHBondContact O-N 3.39Å; S1152-Q1156 VanDerWaalsContact O-CG 3.32Å; S1152-Q1156 WeakPolarHBondContact O-CG 3.46Å; S1152-Q1156 PolarHBondContact O-N 3.1Å; S1152-Q1156 VanDerWaalsContact O-N 3.12Å
1153I84.8Confident83.6Confident0 Ų037.8 Ų37.80%019%0.194CC..Hα-helixtrans-79-35.9179.1-61.6178.2000111.6N1149 L1150 K1151 R1155 Q1156 I1157 S1262 L1263 I1266 L1377N1149-I1153 PolarHBondContact O-N 3.41Å; L1150-I1153 PolarHBondContact O-N 2.82Å; L1150-I1153 VanDerWaalsContact O-N 3.12Å; K1151-I1153 VanDerWaalsContact C-N 3.3Å; K1151-I1153 PolarHBondContact O-N 3.47Å; I1153-R1155 VanDerWaalsContact C-N 3.34Å; I1153-R1155 PolarHBondContact O-N 2.99Å; I1153-Q1156 WeakPolarHBondContact O-CB 3.11Å; I1153-Q1156 PolarHBondContact O-N 3.3Å; I1153-Q1156 VanDerWaalsContact O-N 3.17Å; I1153-I1157 HydrophobicContact CG2-CD1 3.91Å; I1153-I1157 HydrophobicContact CG2-CG1 4.24Å; I1153-I1157 WeakPolarHBondContact O-CG1 3.41Å; I1153-I1157 PolarHBondContact O-N 3.46Å; I1153-S1262 VanDerWaalsContact CD1-CB 3.45Å; I1153-L1263 HydrophobicContact CB-CD2 4.02Å; I1153-L1263 HydrophobicContact CD1-CD2 4.33Å; I1153-L1263 HydrophobicContact CG2-CD1 4.46Å; I1153-L1263 HydrophobicContact CG2-CD2 3.82Å; I1153-L1263 HydrophobicContact CG2-CG 3.82Å; I1153-I1266 HydrophobicContact CD1-CD1 3.45Å; I1153-I1266 VanDerWaalsContact CD1-CD1 3.45Å; I1153-I1266 HydrophobicContact CD1-CG1 4.45Å; I1153-I1266 HydrophobicContact CG1-CD1 4.38Å; I1153-L1377 HydrophobicContact CG1-CD2 4.46Å
1154F87.7Confident83.3Confident2 Ų237.7 Ų37.71%0.00919%0.193CC..Hα-helixtrans-63.2-40.4172.9-63.2-32.4000111.4D508 Y512 W519 L1150 K1151 Q1156 I1157 R1158 L1263D508-F1154 HydrophobicContact CB-CB 3.85Å; D508-F1154 HydrophobicContact CB-CD2 3.86Å; D508-F1154 HydrophobicContact CB-CG 4.04Å; Y512-F1154 HydrophobicContact CD1-CZ 4.28Å; Y512-F1154 HydrophobicContact CD2-CZ 4.17Å; Y512-F1154 HydrophobicContact CG-CE2 4.31Å; Y512-F1154 AromaticContact CG-CZ 3.86Å; Y512-F1154 HydrophobicContact CG-CZ 3.86Å; W519-F1154 AromaticContact CZ2-CE1 3.88Å; W519-F1154 HydrophobicContact CZ2-CE1 3.88Å; W519-F1154 HydrophobicContact CZ2-CZ 4.32Å; L1150-F1154 HydrophobicContact CB-CD2 4.48Å; L1150-F1154 HydrophobicContact CB-CE2 4.1Å; L1150-F1154 HydrophobicContact CD2-CZ 4.24Å; L1150-F1154 WeakPolarHBondContact O-CD2 3.34Å; L1150-F1154 WeakPolarHBondContact O-CG 3.48Å; L1150-F1154 PolarHBondContact O-N 3.49Å; K1151-F1154 PolarHBondContact O-N 3.15Å; K1151-F1154 VanDerWaalsContact O-N 3.16Å; F1154-Q1156 PolarHBondContact O-N 3.21Å; F1154-I1157 PolarHBondContact O-N 3.07Å; F1154-R1158 VanDerWaalsContact O-CB 3.26Å; F1154-R1158 WeakPolarHBondContact O-CB 3.32Å; F1154-R1158 PolarHBondContact O-N 3.11Å; F1154-L1263 HydrophobicContact CD1-CD1 4.47Å; F1154-L1263 HydrophobicContact CD1-CD2 4.29Å; F1154-L1263 HydrophobicContact CE1-CD1 3.9Å; F1154-L1263 HydrophobicContact CE1-CD2 3.75Å; F1154-L1263 HydrophobicContact CZ-CD2 4.29Å
1155R85.6Confident83Confident80 Ų8036.7 Ų36.730%0.30219%0.185SC..Hα-helixtrans-56.4-45.3169-162.8172.4175177.30111.7E498 Q501 D505 K1151 I1153 R1158 S1159E498-R1155 IonicContact OE1-CZ 3.8Å; E498-R1155 IonicContact OE1-NH1 2.72Å; E498-R1155 IonicContact OE1-NH2 3.84Å; E498-R1155 PolarHBondContact OE1-NH2 3.11Å; E498-R1155 VanDerWaalsContact OE1-NH2 3.07Å; Q501-R1155 VanDerWaalsContact OE1-CZ 3.22Å; D505-R1155 WeakPolarHBondContact OD1-CB 3.32Å; D505-R1155 WeakPolarHBondContact OD2-CD 3.26Å; K1151-R1155 WeakPolarHBondContact O-CB 3.09Å; K1151-R1155 PolarHBondContact O-N 3.3Å; I1153-R1155 VanDerWaalsContact C-N 3.34Å; I1153-R1155 PolarHBondContact O-N 2.99Å; R1155-R1158 PolarHBondContact O-N 3.14Å; R1155-S1159 WeakPolarHBondContact O-CB 3.23Å; R1155-S1159 PolarHBondContact O-N 3.05Å
1156Q83.1Confident82.6Confident30 Ų3036.3 Ų36.314%0.1419%0.187CC..Hα-helixtrans-62.5-50.5176-74.5172.512.200112.3S1152 I1153 F1154 R1158 S1159 L1160S1152-Q1156 VanDerWaalsContact O-CG 3.32Å; S1152-Q1156 WeakPolarHBondContact O-CG 3.46Å; S1152-Q1156 PolarHBondContact O-N 3.1Å; S1152-Q1156 VanDerWaalsContact O-N 3.12Å; I1153-Q1156 WeakPolarHBondContact O-CB 3.11Å; I1153-Q1156 PolarHBondContact O-N 3.3Å; I1153-Q1156 VanDerWaalsContact O-N 3.17Å; F1154-Q1156 PolarHBondContact O-N 3.21Å; Q1156-R1158 VanDerWaalsContact C-N 3.34Å; Q1156-R1158 PolarHBondContact O-N 2.91Å; Q1156-S1159 PolarHBondContact O-N 2.84Å; Q1156-S1159 VanDerWaalsContact O-N 3.16Å; Q1156-S1159 PolarHBondContact O-OG 3.16Å; Q1156-L1160 WeakPolarHBondContact O-CG 3.3Å; Q1156-L1160 PolarHBondContact O-N 2.83Å
1157I84.7Confident82.2Confident3 Ų338.4 Ų38.42%0.01520%0.197CC..Hα-helixtrans-59.5-43.6178-68.6170.6000111.1I1153 F1154 L1160 N1161 L1256 Y1260 L1263I1153-I1157 HydrophobicContact CG2-CD1 3.91Å; I1153-I1157 HydrophobicContact CG2-CG1 4.24Å; I1153-I1157 WeakPolarHBondContact O-CG1 3.41Å; I1153-I1157 PolarHBondContact O-N 3.46Å; F1154-I1157 PolarHBondContact O-N 3.07Å; I1157-L1160 PolarHBondContact O-N 3.41Å; I1157-N1161 PolarHBondContact O-N 3.49Å; I1157-N1161 VanDerWaalsContact O-N 3.07Å; I1157-N1161 PolarHBondContact O-ND2 3.42Å; I1157-L1256 HydrophobicContact CG1-CD1 4.21Å; I1157-L1256 HydrophobicContact CG2-CD1 4.09Å; I1157-Y1260 HydrophobicContact CD1-CD1 4.46Å; I1157-Y1260 HydrophobicContact CD1-CE1 4.19Å; I1157-L1263 HydrophobicContact CD1-CD1 3.85Å
1158R84Confident81.7Confident28 Ų2838.4 Ų38.411%0.10620%0.197CC..Hα-helixtrans-59.5-47175.2-162.4-174-46120.912110.8L504 D505 D508 F1154 R1155 Q1156 N1161 S1162L504-R1158 PolarHBondContact O-NH2 3.19Å; D505-R1158 IonicContact OD1-CZ 3.62Å; D505-R1158 IonicContact OD1-NH1 3.17Å; D505-R1158 PolarHBondContact OD1-NH1 2.89Å; D505-R1158 IonicContact OD1-NH2 3.39Å; D505-R1158 PolarHBondContact OD1-NH2 3.46Å; D508-R1158 IonicContact OD2-CZ 3.66Å; D508-R1158 IonicContact OD2-NE 2.69Å; D508-R1158 PolarHBondContact OD2-NE 2.99Å; D508-R1158 VanDerWaalsContact OD2-NE 3.13Å; D508-R1158 IonicContact OD2-NH2 2.66Å; D508-R1158 PolarHBondContact OD2-NH2 2.95Å; F1154-R1158 VanDerWaalsContact O-CB 3.26Å; F1154-R1158 WeakPolarHBondContact O-CB 3.32Å; F1154-R1158 PolarHBondContact O-N 3.11Å; R1155-R1158 PolarHBondContact O-N 3.14Å; Q1156-R1158 VanDerWaalsContact C-N 3.34Å; Q1156-R1158 PolarHBondContact O-N 2.91Å; R1158-N1161 PolarHBondContact O-N 3.03Å; R1158-S1162 WeakPolarHBondContact O-CB 3.47Å; R1158-S1162 PolarHBondContact O-N 3.29Å
1159S79.9Confident81.4Confident54 Ų5435.2 Ų35.238%0.37819%0.185SC..Hα-helixtrans-64.4-40.8178810000112.9R1155 Q1156 S1162 N1163R1155-S1159 WeakPolarHBondContact O-CB 3.23Å; R1155-S1159 PolarHBondContact O-N 3.05Å; Q1156-S1159 PolarHBondContact O-N 2.84Å; Q1156-S1159 VanDerWaalsContact O-N 3.16Å; Q1156-S1159 PolarHBondContact O-OG 3.16Å; S1159-S1162 PolarHBondContact O-N 3.29Å; S1159-N1163 WeakPolarHBondContact O-CB 3.38Å; S1159-N1163 PolarHBondContact O-N 2.81Å; S1159-N1163 PolarHBondContact O-ND2 3.36Å
1160L78.9Confident81.1Confident27 Ų2738.8 Ų38.814%0.14120%0.201CC..Hα-helixtrans-62.6-50.3178.1-74172.2000110.6Q1156 I1157 S1162 N1163 I1164 L1255 L1256Q1156-L1160 WeakPolarHBondContact O-CG 3.3Å; Q1156-L1160 PolarHBondContact O-N 2.83Å; I1157-L1160 PolarHBondContact O-N 3.41Å; L1160-S1162 VanDerWaalsContact C-N 3.32Å; L1160-S1162 PolarHBondContact O-N 3.28Å; L1160-N1163 PolarHBondContact O-N 3.13Å; L1160-N1163 VanDerWaalsContact O-N 3.14Å; L1160-I1164 WeakPolarHBondContact O-CD1 3.4Å; L1160-I1164 VanDerWaalsContact O-CG1 3.31Å; L1160-I1164 WeakPolarHBondContact O-CG1 3.45Å; L1160-I1164 PolarHBondContact O-N 3.24Å; L1160-I1164 VanDerWaalsContact O-N 3.1Å; L1160-L1255 HydrophobicContact CD1-CB 4.11Å; L1160-L1255 HydrophobicContact CD2-CB 4.22Å; L1160-L1255 HydrophobicContact CD2-CD1 4.35Å; L1160-L1256 HydrophobicContact CD1-CB 4.41Å; L1160-L1256 HydrophobicContact CD1-CD1 4.48Å
1161N75.4Confident80.9Confident38 Ų3839.3 Ų39.320%0.20320%0.204CC..Hα-helixtrans-60.3-40.7177.4-71.9-28.1000112.3I1157 R1158 N1163 I1164I1157-N1161 PolarHBondContact O-N 3.49Å; I1157-N1161 VanDerWaalsContact O-N 3.07Å; I1157-N1161 PolarHBondContact O-ND2 3.42Å; R1158-N1161 PolarHBondContact O-N 3.03Å; N1161-N1163 VanDerWaalsContact C-N 3.31Å; N1161-N1163 PolarHBondContact O-N 3.33Å; N1161-I1164 PolarHBondContact O-N 3.32Å
1162S74.9Confident80.6Confident77 Ų7739.5 Ų39.554%0.53820%0.204SC..Hα-helixtrans-68.2-25.6177.3-165.80000113.8R1158 S1159 L1160 P1166R1158-S1162 WeakPolarHBondContact O-CB 3.47Å; R1158-S1162 PolarHBondContact O-N 3.29Å; S1159-S1162 PolarHBondContact O-N 3.29Å; L1160-S1162 VanDerWaalsContact C-N 3.32Å; L1160-S1162 PolarHBondContact O-N 3.28Å; S1162-P1166 WeakPolarHBondContact O-CD 3.36Å; S1162-P1166 WeakPolarHBondContact O-CG 3.42Å
1163N77.9Confident80.3Confident94 Ų9442.5 Ų42.550%0.50322%0.217SC..Hα-helixtrans-84.3-30.8176.8-81.1-74000112.8S1159 L1160 N1161 H1167S1159-N1163 WeakPolarHBondContact O-CB 3.38Å; S1159-N1163 PolarHBondContact O-N 2.81Å; S1159-N1163 PolarHBondContact O-ND2 3.36Å; L1160-N1163 PolarHBondContact O-N 3.13Å; L1160-N1163 VanDerWaalsContact O-N 3.14Å; N1161-N1163 VanDerWaalsContact C-N 3.31Å; N1161-N1163 PolarHBondContact O-N 3.33Å; N1163-H1167 WeakPolarHBondContact O-CB 3.38Å
1164I78.9Confident80.2Confident4 Ų446.4 Ų46.42%0.02124%0.235CC..Hα-helixtrans-68.3-44.6-176.6-68.2160.4000111.6L1160 N1161 H1167 M1168 W1248 K1252 L1593L1160-I1164 WeakPolarHBondContact O-CD1 3.4Å; L1160-I1164 VanDerWaalsContact O-CG1 3.31Å; L1160-I1164 WeakPolarHBondContact O-CG1 3.45Å; L1160-I1164 PolarHBondContact O-N 3.24Å; L1160-I1164 VanDerWaalsContact O-N 3.1Å; N1161-I1164 PolarHBondContact O-N 3.32Å; I1164-H1167 PolarHBondContact O-N 3.48Å; I1164-M1168 HydrophobicContact CG2-CG 4.26Å; I1164-M1168 HydrophobicContact CG2-SD 3.87Å; I1164-M1168 WeakPolarHBondContact O-CG 3.22Å; I1164-M1168 PolarHBondContact O-N 3.48Å; I1164-W1248 HydrophobicContact CG1-CH2 4.39Å; I1164-K1252 HydrophobicContact CD1-CB 4.07Å; I1164-K1252 HydrophobicContact CG1-CB 4.15Å; I1164-K1252 HydrophobicContact CG1-CG 4.29Å; I1164-L1593 HydrophobicContact CD1-CD1 4.28Å; I1164-L1593 HydrophobicContact CD1-CD2 4.45Å; I1164-L1593 HydrophobicContact CG2-CD2 4.25Å
1165I75.4Confident80.1Confident35 Ų3546.5 Ų46.518%0.17924%0.235CC..Hα-helixtrans-66.9-47-170.5-62.3177000113.1Y438 F441 T442 H1167 M1168 Y1169Y438-I1165 HydrophobicContact CE2-CD1 3.71Å; Y438-I1165 HydrophobicContact CE2-CG2 4.19Å; F441-I1165 HydrophobicContact CB-CG2 4.32Å; T442-I1165 HydrophobicContact CG2-CG2 3.6Å; I1165-H1167 VanDerWaalsContact C-N 3.34Å; I1165-H1167 PolarHBondContact O-N 3.3Å; I1165-M1168 PolarHBondContact O-N 3.48Å; I1165-Y1169 PolarHBondContact O-N 3.15Å
1166P75.6Confident80Confident57 Ų5749 Ų4937%0.3725%0.246SC..Hα-helixtrans-64-37.2174.9-22.535000112.6S1162 M1168 Y1169 H1170S1162-P1166 WeakPolarHBondContact O-CD 3.36Å; S1162-P1166 WeakPolarHBondContact O-CG 3.42Å; P1166-M1168 PolarHBondContact O-N 2.79Å; P1166-Y1169 PolarHBondContact O-N 3Å; P1166-Y1169 VanDerWaalsContact O-N 3.15Å; P1166-H1170 PolarHBondContact O-N 3.44Å
1167H79.2Confident80.1Confident51 Ų5153.3 Ų53.324%0.23627%0.268CS..Hα-helixtrans-64.2-40.8177.9-169.4-100.9000112.1N1163 I1164 I1165 Y1169 H1170 I1171 W1248N1163-H1167 WeakPolarHBondContact O-CB 3.38Å; I1164-H1167 PolarHBondContact O-N 3.48Å; I1165-H1167 VanDerWaalsContact C-N 3.34Å; I1165-H1167 PolarHBondContact O-N 3.3Å; H1167-Y1169 VanDerWaalsContact C-N 3.27Å; H1167-Y1169 PolarHBondContact O-N 3.48Å; H1167-H1170 PolarHBondContact O-N 3.37Å; H1167-I1171 WeakPolarHBondContact O-CG1 3.36Å; H1167-I1171 PolarHBondContact O-N 3.08Å; H1167-W1248 HydrophobicContact CB-CH2 3.8Å; H1167-W1248 HydrophobicContact CB-CZ2 3.88Å; H1167-W1248 AromaticContact CE1-CD2 3.72Å; H1167-W1248 AromaticContact CE1-CE2 3.5Å; H1167-W1248 VanDerWaalsContact CE1-CE2 3.5Å; H1167-W1248 AromaticContact CE1-CE3 3.96Å; H1167-W1248 AromaticContact CE1-CH2 3.96Å; H1167-W1248 AromaticContact CE1-CZ2 3.66Å; H1167-W1248 AromaticContact CE1-NE1 3.89Å; H1167-W1248 AromaticContact CG-CH2 3.63Å; H1167-W1248 AromaticContact CG-CZ2 3.46Å; H1167-W1248 VanDerWaalsContact CG-CZ2 3.46Å; H1167-W1248 AromaticContact ND1-CD2 3.91Å; H1167-W1248 AromaticContact ND1-CE2 3.56Å; H1167-W1248 AromaticContact ND1-CE3 3.8Å; H1167-W1248 AromaticContact ND1-CH2 3.17Å; H1167-W1248 WeakPolarHBondContact ND1-CH2 3.48Å; H1167-W1248 AromaticContact ND1-CZ2 3.21Å; H1167-W1248 WeakPolarHBondContact ND1-CZ2 3.46Å; H1167-W1248 AromaticContact ND1-CZ3 3.47Å; H1167-W1248 WeakPolarHBondContact ND1-CZ3 3.27Å; H1167-W1248 AromaticContact NE2-CE2 3.98Å
1168M78Confident80.2Confident22 Ų2256.3 Ų56.311%0.10828%0.28CS..Hα-helixtrans-60.6-35.1172.9-73.1-179.174.400112.8I1164 I1165 P1166 K1172 K1596 L1600I1164-M1168 HydrophobicContact CG2-CG 4.26Å; I1164-M1168 HydrophobicContact CG2-SD 3.87Å; I1164-M1168 WeakPolarHBondContact O-CG 3.22Å; I1164-M1168 PolarHBondContact O-N 3.48Å; I1165-M1168 PolarHBondContact O-N 3.48Å; P1166-M1168 PolarHBondContact O-N 2.79Å; M1168-K1172 PolarHBondContact O-N 3.45Å; M1168-K1596 HydrophobicContact CE-CB 4.14Å; M1168-K1596 WeakPolarHBondContact CE-O 3.38Å; M1168-L1600 HydrophobicContact CB-CD2 4.04Å; M1168-L1600 HydrophobicContact CE-CB 3.82Å; M1168-L1600 HydrophobicContact CE-CD2 3.62Å; M1168-L1600 HydrophobicContact CE-CG 4.33Å; M1168-L1600 HydrophobicContact CG-CD2 4.04Å
1169Y79.6Confident80.3Confident55 Ų5555.2 Ų55.222%0.21628%0.276CS..Hα-helixtrans-74.5-39.1174.1178.4-107.5000112.6I440 F441 I1165 P1166 H1167 I1171 K1172 Q1173I440-Y1169 HydrophobicContact CG2-CE2 3.99Å; F441-Y1169 HydrophobicContact CB-CD2 4.38Å; F441-Y1169 HydrophobicContact CB-CG 4.11Å; F441-Y1169 AromaticContact CD1-CD1 3.28Å; F441-Y1169 HydrophobicContact CD1-CD1 3.28Å; F441-Y1169 HydrophobicContact CD1-CD2 4.06Å; F441-Y1169 AromaticContact CD1-CE1 3.66Å; F441-Y1169 HydrophobicContact CD1-CE1 3.66Å; F441-Y1169 HydrophobicContact CD1-CE2 4.38Å; F441-Y1169 AromaticContact CD1-CG 3.49Å; F441-Y1169 HydrophobicContact CD1-CG 3.49Å; F441-Y1169 VanDerWaalsContact CD1-CG 3.49Å; F441-Y1169 AromaticContact CE1-CD1 3.64Å; F441-Y1169 HydrophobicContact CE1-CD1 3.64Å; F441-Y1169 AromaticContact CE1-CE1 3.81Å; F441-Y1169 HydrophobicContact CE1-CE1 3.81Å; F441-Y1169 HydrophobicContact CE1-CG 4.31Å; F441-Y1169 HydrophobicContact CG-CD1 4.24Å; F441-Y1169 HydrophobicContact CG-CG 4.1Å; I1165-Y1169 PolarHBondContact O-N 3.15Å; P1166-Y1169 PolarHBondContact O-N 3Å; P1166-Y1169 VanDerWaalsContact O-N 3.15Å; H1167-Y1169 VanDerWaalsContact C-N 3.27Å; H1167-Y1169 PolarHBondContact O-N 3.48Å; Y1169-I1171 VanDerWaalsContact C-N 3.3Å; Y1169-I1171 PolarHBondContact O-N 3.08Å; Y1169-K1172 HydrophobicContact CD2-CD 4.35Å; Y1169-K1172 WeakPolarHBondContact O-CA 3.34Å; Y1169-K1172 WeakPolarHBondContact O-CB 3.37Å; Y1169-K1172 PolarHBondContact O-N 2.93Å; Y1169-Q1173 HydrophobicContact CD1-CG 4.25Å; Y1169-Q1173 HydrophobicContact CE1-CG 3.78Å; Y1169-Q1173 HydrophobicContact CE2-CG 4.36Å; Y1169-Q1173 PolarHBondContact O-N 2.82Å; Y1169-Q1173 PolarHBondContact OH-NE2 3.49Å
1170H79.6Confident80.4Confident89 Ų8957.8 Ų57.841%0.41228%0.278SS..Hα-helixtrans-60.8-39.5174.7-168.769.8000111.9P1166 H1167 K1172 Q1173 Q1174P1166-H1170 PolarHBondContact O-N 3.44Å; H1167-H1170 PolarHBondContact O-N 3.37Å; H1170-K1172 PolarHBondContact O-N 3.06Å; H1170-Q1173 PolarHBondContact O-N 2.96Å; H1170-Q1174 PolarHBondContact CE1-NE2 2.68Å; H1170-Q1174 VanDerWaalsContact CE1-NE2 3.32Å; H1170-Q1174 PolarHBondContact NE2-NE2 2.76Å; H1170-Q1174 WeakPolarHBondContact O-CB 3.36Å; H1170-Q1174 VanDerWaalsContact O-CG 3.3Å; H1170-Q1174 WeakPolarHBondContact O-CG 3.41Å; H1170-Q1174 PolarHBondContact O-N 2.88Å
1171I82.1Confident80.8Confident10 Ų1059.8 Ų59.85%0.05128%0.284CS..Hα-helixtrans-58.3-45.1171.5-69.3168.5000111H1167 Y1169 Q1173 Q1174 F1175 L1242 M1604H1167-I1171 WeakPolarHBondContact O-CG1 3.36Å; H1167-I1171 PolarHBondContact O-N 3.08Å; Y1169-I1171 VanDerWaalsContact C-N 3.3Å; Y1169-I1171 PolarHBondContact O-N 3.08Å; I1171-Q1173 PolarHBondContact O-N 3.32Å; I1171-Q1174 PolarHBondContact O-N 3.29Å; I1171-F1175 VanDerWaalsContact O-CB 3.25Å; I1171-F1175 WeakPolarHBondContact O-CB 3.43Å; I1171-F1175 PolarHBondContact O-N 2.78Å; I1171-L1242 HydrophobicContact CG2-CB 4.48Å; I1171-M1604 HydrophobicContact CG2-CE 3.9Å; I1171-M1604 HydrophobicContact CG2-SD 4.08Å
1172K81.6Confident81.1Confident56 Ų5664 Ų6424%0.24331%0.313CS..Hα-helixtrans-58.7-46174.8-66.5175.8-177.2173.10111.8F441 M1168 Y1169 H1170 F1175 Y1176 L1600F441-K1172 PolarHBondContact O-NZ 3.39Å; M1168-K1172 PolarHBondContact O-N 3.45Å; Y1169-K1172 HydrophobicContact CD2-CD 4.35Å; Y1169-K1172 WeakPolarHBondContact O-CA 3.34Å; Y1169-K1172 WeakPolarHBondContact O-CB 3.37Å; Y1169-K1172 PolarHBondContact O-N 2.93Å; H1170-K1172 PolarHBondContact O-N 3.06Å; K1172-F1175 PolarHBondContact O-N 3.08Å; K1172-Y1176 WeakPolarHBondContact O-CB 3.33Å; K1172-Y1176 PolarHBondContact O-N 3.03Å; K1172-L1600 HydrophobicContact CD-CD1 4.22Å; K1172-L1600 HydrophobicContact CG-CD1 3.5Å
1173Q80.3Confident81.5Confident81 Ų8162.6 Ų62.638%0.37930%0.3SS..Hα-helixtrans-62.9-50.1179.9-72.5-173.7-38.200111.8Y1169 H1170 I1171 F1175 Y1176 I1177Y1169-Q1173 HydrophobicContact CD1-CG 4.25Å; Y1169-Q1173 HydrophobicContact CE1-CG 3.78Å; Y1169-Q1173 HydrophobicContact CE2-CG 4.36Å; Y1169-Q1173 PolarHBondContact O-N 2.82Å; Y1169-Q1173 PolarHBondContact OH-NE2 3.49Å; H1170-Q1173 PolarHBondContact O-N 2.96Å; I1171-Q1173 PolarHBondContact O-N 3.32Å; Q1173-F1175 VanDerWaalsContact C-N 3.27Å; Q1173-F1175 PolarHBondContact O-N 3.36Å; Q1173-Y1176 PolarHBondContact O-N 2.97Å; Q1173-Y1176 VanDerWaalsContact O-N 3.17Å; Q1173-I1177 WeakPolarHBondContact O-CG1 3.48Å; Q1173-I1177 PolarHBondContact O-N 3.3Å
1174Q82.7Confident82Confident81 Ų8160.6 Ų60.638%0.37929%0.293SS..Hα-helixtrans-59.1-39177.3-69.8-71.1-200111.8H1170 I1171 Y1178H1170-Q1174 PolarHBondContact CE1-NE2 2.68Å; H1170-Q1174 VanDerWaalsContact CE1-NE2 3.32Å; H1170-Q1174 PolarHBondContact NE2-NE2 2.76Å; H1170-Q1174 WeakPolarHBondContact O-CB 3.36Å; H1170-Q1174 VanDerWaalsContact O-CG 3.3Å; H1170-Q1174 WeakPolarHBondContact O-CG 3.41Å; H1170-Q1174 PolarHBondContact O-N 2.88Å; I1171-Q1174 PolarHBondContact O-N 3.29Å; Q1174-Y1178 WeakPolarHBondContact O-CB 3.41Å; Q1174-Y1178 PolarHBondContact O-N 3.18Å; Q1174-Y1178 VanDerWaalsContact O-N 3.09Å
1175F85.4Confident82.5Confident4 Ų460.4 Ų60.42%0.01829%0.293CS..Hα-helixtrans-67.9-42.9175.3-174.2-115.2000112.3I1171 K1172 Q1173 Y1178 L1179 L1239 L1242 M1604 C1607 I1608I1171-F1175 VanDerWaalsContact O-CB 3.25Å; I1171-F1175 WeakPolarHBondContact O-CB 3.43Å; I1171-F1175 PolarHBondContact O-N 2.78Å; K1172-F1175 PolarHBondContact O-N 3.08Å; Q1173-F1175 VanDerWaalsContact C-N 3.27Å; Q1173-F1175 PolarHBondContact O-N 3.36Å; F1175-Y1178 PolarHBondContact O-N 3.14Å; F1175-L1179 HydrophobicContact CD1-CD1 4.05Å; F1175-L1179 HydrophobicContact CD1-CG 4.41Å; F1175-L1179 HydrophobicContact CE1-CD1 3.7Å; F1175-L1179 HydrophobicContact CE1-CD2 4.33Å; F1175-L1179 HydrophobicContact CE1-CG 4.11Å; F1175-L1179 HydrophobicContact CE2-CD2 4.4Å; F1175-L1179 HydrophobicContact CZ-CD1 4.2Å; F1175-L1179 HydrophobicContact CZ-CD2 3.98Å; F1175-L1179 HydrophobicContact CZ-CG 4.18Å; F1175-L1179 WeakPolarHBondContact O-CG 3.41Å; F1175-L1179 PolarHBondContact O-N 2.88Å; F1175-L1239 HydrophobicContact CE2-CB 3.99Å; F1175-L1239 HydrophobicContact CE2-CD1 4.24Å; F1175-L1239 HydrophobicContact CZ-CB 4.39Å; F1175-L1239 HydrophobicContact CZ-CD1 4.33Å; F1175-L1242 HydrophobicContact CB-CD1 4.09Å; F1175-L1242 HydrophobicContact CD2-CD1 3.92Å; F1175-L1242 HydrophobicContact CG-CD1 4.49Å; F1175-M1604 HydrophobicContact CB-SD 3.97Å; F1175-M1604 HydrophobicContact CD1-CB 3.92Å; F1175-M1604 HydrophobicContact CD1-CG 3.71Å; F1175-M1604 HydrophobicContact CD1-SD 3.75Å; F1175-M1604 HydrophobicContact CE1-CB 3.66Å; F1175-M1604 HydrophobicContact CE1-CG 3.99Å; F1175-M1604 WeakPolarHBondContact CE1-O 3.45Å; F1175-M1604 HydrophobicContact CE1-SD 4.45Å; F1175-M1604 HydrophobicContact CG-CG 4.47Å; F1175-M1604 HydrophobicContact CG-SD 3.93Å; F1175-M1604 HydrophobicContact CZ-CB 4.31Å; F1175-C1607 HydrophobicContact CE1-CB 4.37Å; F1175-I1608 HydrophobicContact CE1-CG1 4.44Å; F1175-I1608 HydrophobicContact CZ-CD1 3.94Å; F1175-I1608 HydrophobicContact CZ-CG1 3.69Å
1176Y83.5Confident83.2Confident134 Ų13461 Ų6153%0.52529%0.294SS..Hα-helixtrans-62-46.9177.2-159.6-97.2000111.5K1172 Q1173 Y1178 L1179 Y1180K1172-Y1176 WeakPolarHBondContact O-CB 3.33Å; K1172-Y1176 PolarHBondContact O-N 3.03Å; Q1173-Y1176 PolarHBondContact O-N 2.97Å; Q1173-Y1176 VanDerWaalsContact O-N 3.17Å; Y1176-Y1178 VanDerWaalsContact C-N 3.27Å; Y1176-Y1178 PolarHBondContact O-N 3.4Å; Y1176-L1179 PolarHBondContact O-N 3.24Å; Y1176-L1179 VanDerWaalsContact O-N 3.13Å; Y1176-Y1180 AromaticContact CD1-CD2 4Å; Y1176-Y1180 HydrophobicContact CD1-CD2 4Å; Y1176-Y1180 AromaticContact CD1-CE2 3.98Å; Y1176-Y1180 HydrophobicContact CD1-CE2 3.98Å; Y1176-Y1180 HydrophobicContact CD2-CE2 4.21Å; Y1176-Y1180 AromaticContact CE1-CD2 3.86Å; Y1176-Y1180 HydrophobicContact CE1-CD2 3.86Å; Y1176-Y1180 AromaticContact CE1-CE2 3.53Å; Y1176-Y1180 HydrophobicContact CE1-CE2 3.53Å; Y1176-Y1180 AromaticContact CE2-CE2 3.78Å; Y1176-Y1180 HydrophobicContact CE2-CE2 3.78Å; Y1176-Y1180 HydrophobicContact CG-CD2 4.48Å; Y1176-Y1180 HydrophobicContact CG-CE2 4.31Å; Y1176-Y1180 AromaticContact CZ-CE2 3.42Å; Y1176-Y1180 VanDerWaalsContact CZ-CE2 3.42Å; Y1176-Y1180 WeakPolarHBondContact O-CD2 3.26Å; Y1176-Y1180 PolarHBondContact O-N 2.9Å
1177I84.1Confident83.9Confident120 Ų12064.1 Ų64.162%0.61530%0.304SS*.Hα-helixtrans-57.7-40.8174.5-66.2164.7000110.8Q1173 Y1180Q1173-I1177 WeakPolarHBondContact O-CG1 3.48Å; Q1173-I1177 PolarHBondContact O-N 3.3Å; I1177-Y1180 PolarHBondContact O-N 3.27Å
1178Y86.8Confident84.5Confident66 Ų6665.6 Ų65.626%0.25931%0.31SS..Hα-helixtrans-68.7-31.5177.5-178.2-94.7000113.9Q1174 F1175 Y1176 R1181 A1234 R1238Q1174-Y1178 WeakPolarHBondContact O-CB 3.41Å; Q1174-Y1178 PolarHBondContact O-N 3.18Å; Q1174-Y1178 VanDerWaalsContact O-N 3.09Å; F1175-Y1178 PolarHBondContact O-N 3.14Å; Y1176-Y1178 VanDerWaalsContact C-N 3.27Å; Y1176-Y1178 PolarHBondContact O-N 3.4Å; Y1178-R1181 WeakPolarHBondContact O-CG 3.43Å; Y1178-R1181 PolarHBondContact O-NH1 3.45Å; Y1178-A1234 PolarHBondContact OH-O 2.88Å; Y1178-R1238 HydrophobicContact CD1-CB 4.05Å; Y1178-R1238 HydrophobicContact CD1-CG 3.66Å; Y1178-R1238 HydrophobicContact CD2-CG 4.15Å; Y1178-R1238 HydrophobicContact CE1-CB 3.43Å; Y1178-R1238 VanDerWaalsContact CE1-CB 3.43Å; Y1178-R1238 HydrophobicContact CE1-CG 3.49Å; Y1178-R1238 VanDerWaalsContact CE1-CG 3.49Å; Y1178-R1238 HydrophobicContact CE2-CB 4.48Å; Y1178-R1238 HydrophobicContact CE2-CG 4Å; Y1178-R1238 HydrophobicContact CG-CG 3.98Å
1179L85.7Confident85.2Confident5 Ų564.5 Ų64.53%0.02630%0.304CS..Hα-helixtrans-66.4-35.5176.8-74.7175.9000112.5F1175 Y1176 R1181 N1235 C1607 I1608 K1611F1175-L1179 HydrophobicContact CD1-CD1 4.05Å; F1175-L1179 HydrophobicContact CD1-CG 4.41Å; F1175-L1179 HydrophobicContact CE1-CD1 3.7Å; F1175-L1179 HydrophobicContact CE1-CD2 4.33Å; F1175-L1179 HydrophobicContact CE1-CG 4.11Å; F1175-L1179 HydrophobicContact CE2-CD2 4.4Å; F1175-L1179 HydrophobicContact CZ-CD1 4.2Å; F1175-L1179 HydrophobicContact CZ-CD2 3.98Å; F1175-L1179 HydrophobicContact CZ-CG 4.18Å; F1175-L1179 WeakPolarHBondContact O-CG 3.41Å; F1175-L1179 PolarHBondContact O-N 2.88Å; Y1176-L1179 PolarHBondContact O-N 3.24Å; Y1176-L1179 VanDerWaalsContact O-N 3.13Å; L1179-R1181 VanDerWaalsContact C-N 3.33Å; L1179-R1181 PolarHBondContact O-N 2.89Å; L1179-N1235 HydrophobicContact CD2-CB 4.25Å; L1179-C1607 HydrophobicContact CD1-CB 4.16Å; L1179-I1608 HydrophobicContact CD2-CG1 4.44Å; L1179-K1611 HydrophobicContact CB-CD 4.11Å; L1179-K1611 HydrophobicContact CD2-CD 4.41Å; L1179-K1611 WeakPolarHBondContact O-CE 3.49Å; L1179-K1611 PolarHBondContact O-NZ 2.88Å
1180Y82.9Confident85.6Confident107 Ų10765.3 Ų65.342%0.4231%0.312SS..THydrogen-bonded Turntrans-93.727.8179.9-66.3-78.3000113.7Y1176 I1177 E1645Y1176-Y1180 AromaticContact CD1-CD2 4Å; Y1176-Y1180 HydrophobicContact CD1-CD2 4Å; Y1176-Y1180 AromaticContact CD1-CE2 3.98Å; Y1176-Y1180 HydrophobicContact CD1-CE2 3.98Å; Y1176-Y1180 HydrophobicContact CD2-CE2 4.21Å; Y1176-Y1180 AromaticContact CE1-CD2 3.86Å; Y1176-Y1180 HydrophobicContact CE1-CD2 3.86Å; Y1176-Y1180 AromaticContact CE1-CE2 3.53Å; Y1176-Y1180 HydrophobicContact CE1-CE2 3.53Å; Y1176-Y1180 AromaticContact CE2-CE2 3.78Å; Y1176-Y1180 HydrophobicContact CE2-CE2 3.78Å; Y1176-Y1180 HydrophobicContact CG-CD2 4.48Å; Y1176-Y1180 HydrophobicContact CG-CE2 4.31Å; Y1176-Y1180 AromaticContact CZ-CE2 3.42Å; Y1176-Y1180 VanDerWaalsContact CZ-CE2 3.42Å; Y1176-Y1180 WeakPolarHBondContact O-CD2 3.26Å; Y1176-Y1180 PolarHBondContact O-N 2.9Å; I1177-Y1180 PolarHBondContact O-N 3.27Å; Y1180-E1645 PolarHBondContact OH-OE1 3.05Å
1181R86.3Confident86.2Confident69 Ų6966.6 Ų66.626%0.2632%0.319SS..  trans-66.6146.3165.272.1-174.2178.9-77.81110.4Y1178 L1179 T1231 N1235Y1178-R1181 WeakPolarHBondContact O-CG 3.43Å; Y1178-R1181 PolarHBondContact O-NH1 3.45Å; L1179-R1181 VanDerWaalsContact C-N 3.33Å; L1179-R1181 PolarHBondContact O-N 2.89Å; R1181-T1231 PolarHBondContact NH2-O 3.49Å; R1181-N1235 VanDerWaalsContact CZ-OD1 3.3Å; R1181-N1235 PolarHBondContact NH1-OD1 2.86Å; R1181-N1235 PolarHBondContact NH2-OD1 3.01Å
1182P82.4Confident86.6Confident126 Ų12667.1 Ų67.182%0.81832%0.32SS*.  trans-64.5154173.428.4-35.5000111.5
1183D83Confident87.1Confident48 Ų4864.7 Ų64.726%0.25731%0.311SS..  trans-124.4179.6-177.170.357.7000113.1K1185D1183-K1185 WeakPolarHBondContact OD1-CB 3.39Å; D1183-K1185 WeakPolarHBondContact OD1-CG 3.41Å; D1183-K1185 PolarHBondContact OD1-N 3Å; D1183-K1185 IonicContact OD1-NZ 3.81Å; D1183-K1185 IonicContact OD2-NZ 2.71Å; D1183-K1185 PolarHBondContact OD2-NZ 3.17Å
1184S87.9Confident87.5Confident53 Ų5364.8 Ų64.837%0.37132%0.32SS..SBendtrans-93-5.8-177.551.20000114.6Q1186 H1187 F1188 I1227S1184-Q1186 VanDerWaalsContact C-N 3.29Å; S1184-Q1186 PolarHBondContact O-N 3.46Å; S1184-H1187 WeakPolarHBondContact O-CB 3.46Å; S1184-H1187 PolarHBondContact O-N 3.12Å; S1184-F1188 WeakPolarHBondContact O-CD2 3.3Å; S1184-I1227 WeakPolarHBondContact OG-CG2 3.23Å
1185K90.2Very high87.8Confident0 Ų063.2 Ų63.20%032%0.318CS..Hα-helixtrans-58.1-40.9-172.6-64.4-165.2-60.8-78.50111.8D1183 H1187 F1188 L1189 L1224 I1227 I1228 E1615 V1619D1183-K1185 WeakPolarHBondContact OD1-CB 3.39Å; D1183-K1185 WeakPolarHBondContact OD1-CG 3.41Å; D1183-K1185 PolarHBondContact OD1-N 3Å; D1183-K1185 IonicContact OD1-NZ 3.81Å; D1183-K1185 IonicContact OD2-NZ 2.71Å; D1183-K1185 PolarHBondContact OD2-NZ 3.17Å; K1185-H1187 VanDerWaalsContact C-N 3.26Å; K1185-H1187 PolarHBondContact O-N 2.7Å; K1185-F1188 PolarHBondContact O-N 3.41Å; K1185-L1189 PolarHBondContact O-N 3.34Å; K1185-L1189 VanDerWaalsContact O-N 3.08Å; K1185-L1224 HydrophobicContact CB-CD2 3.69Å; K1185-L1224 HydrophobicContact CD-CD2 4.35Å; K1185-L1224 HydrophobicContact CG-CD2 3.93Å; K1185-I1227 HydrophobicContact CD-CG2 4.47Å; K1185-I1227 HydrophobicContact CG-CB 4.34Å; K1185-I1227 HydrophobicContact CG-CG2 3.7Å; K1185-I1228 HydrophobicContact CD-CD1 4.39Å; K1185-I1228 HydrophobicContact CD-CG1 4.03Å; K1185-E1615 IonicContact NZ-OE2 3.51Å; K1185-E1615 PolarHBondContact NZ-OE2 2.9Å; K1185-V1619 HydrophobicContact CD-CG2 4.19Å
1186Q90Very high88Confident46 Ų4663.1 Ų63.122%0.21532%0.317CS..Hα-helixtrans-59.8-32.8177.1-170.961.344.600113.5S1184 N1190 M1640S1184-Q1186 VanDerWaalsContact C-N 3.29Å; S1184-Q1186 PolarHBondContact O-N 3.46Å; Q1186-N1190 PolarHBondContact NE2-OD1 3.12Å; Q1186-N1190 WeakPolarHBondContact O-CB 3.08Å; Q1186-N1190 PolarHBondContact O-N 3.33Å; Q1186-M1640 PolarHBondContact NE2-O 3.16Å
1187H90.9Very high88.3Confident124 Ų12457.7 Ų57.757%0.57430%0.297SS*.Hα-helixtrans-67.6-47.6-178.8-176.966.1000111.3S1184 K1185 N1190 Q1191S1184-H1187 WeakPolarHBondContact O-CB 3.46Å; S1184-H1187 PolarHBondContact O-N 3.12Å; K1185-H1187 VanDerWaalsContact C-N 3.26Å; K1185-H1187 PolarHBondContact O-N 2.7Å; H1187-N1190 PolarHBondContact O-N 3.1Å; H1187-Q1191 WeakPolarHBondContact O-CB 3.38Å; H1187-Q1191 PolarHBondContact O-N 3.19Å
1188F91.7Very high88.4Confident81 Ų8156.5 Ų56.536%0.35530%0.3SS..Hα-helixtrans-67.1-37.1177.5-66-78.2000112S1184 K1185 Q1191 F1192 I1227S1184-F1188 WeakPolarHBondContact O-CD2 3.3Å; K1185-F1188 PolarHBondContact O-N 3.41Å; F1188-Q1191 PolarHBondContact O-N 3.4Å; F1188-F1192 WeakPolarHBondContact O-CB 3.41Å; F1188-F1192 PolarHBondContact O-N 3.16Å; F1188-I1227 HydrophobicContact CD2-CD1 3.42Å; F1188-I1227 VanDerWaalsContact CD2-CD1 3.42Å; F1188-I1227 HydrophobicContact CE2-CD1 3.57Å; F1188-I1227 HydrophobicContact CG-CD1 4.34Å
1189L91.5Very high88.3Confident0 Ų054.6 Ų54.60%029%0.294CS..Hα-helixtrans-60.7-48.1172.4-177.461000111.8K1185 Q1191 F1192 V1193 L1220 T1622 I1626 M1640 L1642K1185-L1189 PolarHBondContact O-N 3.34Å; K1185-L1189 VanDerWaalsContact O-N 3.08Å; L1189-Q1191 VanDerWaalsContact C-N 3.34Å; L1189-Q1191 PolarHBondContact O-N 3.29Å; L1189-F1192 PolarHBondContact O-N 2.95Å; L1189-V1193 HydrophobicContact CD1-CG2 4.29Å; L1189-V1193 WeakPolarHBondContact O-CG2 3.39Å; L1189-V1193 PolarHBondContact O-N 3.39Å; L1189-L1220 HydrophobicContact CD1-CD2 4.37Å; L1189-T1622 HydrophobicContact CD1-CG2 3.78Å; L1189-T1622 HydrophobicContact CD2-CG2 4.04Å; L1189-I1626 HydrophobicContact CD1-CD1 4.16Å; L1189-M1640 HydrophobicContact CD2-CB 4.05Å; L1189-M1640 WeakPolarHBondContact CD2-O 3.27Å; L1189-L1642 HydrophobicContact CD2-CB 3.92Å; L1189-L1642 HydrophobicContact CD2-CD1 4.3Å
1190N89.7Confident88.1Confident71 Ų7159.9 Ų59.938%0.3832%0.322SS..Hα-helixtrans-61.4-40.6177-74.1-7.4000112.2Q1186 H1187 S1194Q1186-N1190 PolarHBondContact NE2-OD1 3.12Å; Q1186-N1190 WeakPolarHBondContact O-CB 3.08Å; Q1186-N1190 PolarHBondContact O-N 3.33Å; H1187-N1190 PolarHBondContact O-N 3.1Å; N1190-S1194 WeakPolarHBondContact O-CB 3.43Å; N1190-S1194 PolarHBondContact O-N 3.1Å; N1190-S1194 PolarHBondContact O-OG 2.86Å
1191Q91Very high87.8Confident117 Ų11760.1 Ų60.155%0.54733%0.33SS..Hα-helixtrans-64-43.4175.8-173.6-179.85.100111.4H1187 F1188 L1189 S1194 S1195H1187-Q1191 WeakPolarHBondContact O-CB 3.38Å; H1187-Q1191 PolarHBondContact O-N 3.19Å; F1188-Q1191 PolarHBondContact O-N 3.4Å; L1189-Q1191 VanDerWaalsContact C-N 3.34Å; L1189-Q1191 PolarHBondContact O-N 3.29Å; Q1191-S1194 PolarHBondContact O-N 2.91Å; Q1191-S1195 PolarHBondContact O-N 3.47Å
1192F91.9Very high87.4Confident20 Ų2065 Ų659%0.08836%0.356CS..Hα-helixtrans-62.4-52.9176.3-179.9-90.2000111.6F1188 L1189 S1194 S1195 F1196 R1216 L1220 I1626 L1636F1188-F1192 WeakPolarHBondContact O-CB 3.41Å; F1188-F1192 PolarHBondContact O-N 3.16Å; L1189-F1192 PolarHBondContact O-N 2.95Å; F1192-S1194 VanDerWaalsContact C-N 3.27Å; F1192-S1194 PolarHBondContact O-N 3.39Å; F1192-S1195 PolarHBondContact O-N 3.14Å; F1192-S1195 PolarHBondContact O-OG 3.32Å; F1192-F1196 HydrophobicContact CE1-CB 4.42Å; F1192-F1196 HydrophobicContact CE1-CD2 4.08Å; F1192-F1196 HydrophobicContact CZ-CD2 4.18Å; F1192-F1196 WeakPolarHBondContact O-CB 3.5Å; F1192-F1196 PolarHBondContact O-N 3.28Å; F1192-R1216 HydrophobicContact CE2-CB 3.98Å; F1192-R1216 WeakPolarHBondContact CE2-O 3.5Å; F1192-L1220 HydrophobicContact CB-CD1 4.06Å; F1192-L1220 HydrophobicContact CB-CD2 4.1Å; F1192-L1220 HydrophobicContact CD1-CD2 3.77Å; F1192-L1220 HydrophobicContact CD2-CB 4.06Å; F1192-L1220 HydrophobicContact CD2-CD1 4.44Å; F1192-L1220 HydrophobicContact CD2-CD2 3.96Å; F1192-L1220 HydrophobicContact CD2-CG 4.36Å; F1192-L1220 HydrophobicContact CE1-CD2 4.14Å; F1192-L1220 HydrophobicContact CE2-CB 4.22Å; F1192-L1220 HydrophobicContact CE2-CD2 4.3Å; F1192-L1220 HydrophobicContact CG-CD1 4.34Å; F1192-L1220 HydrophobicContact CG-CD2 3.67Å; F1192-L1220 HydrophobicContact CG-CG 4.41Å; F1192-L1220 HydrophobicContact CZ-CD2 4.39Å; F1192-I1626 HydrophobicContact CD1-CD1 4.27Å; F1192-I1626 HydrophobicContact CE1-CD1 4.03Å; F1192-I1626 HydrophobicContact CE1-CG1 4.48Å; F1192-I1626 HydrophobicContact CE1-CG2 3.74Å; F1192-I1626 HydrophobicContact CZ-CG2 4.06Å; F1192-L1636 HydrophobicContact CD1-CD1 4.14Å; F1192-L1636 HydrophobicContact CE1-CD1 3.84Å
1193V90.6Very high87.3Confident6 Ų663.4 Ų63.44%0.03634%0.339CS..Hα-helixtrans-54.8-43.4177.7169.30000111L1189 F1196 N1197 L1636 P1637 M1640L1189-V1193 HydrophobicContact CD1-CG2 4.29Å; L1189-V1193 WeakPolarHBondContact O-CG2 3.39Å; L1189-V1193 PolarHBondContact O-N 3.39Å; V1193-F1196 PolarHBondContact O-N 2.87Å; V1193-N1197 WeakPolarHBondContact O-CB 3.34Å; V1193-N1197 PolarHBondContact O-N 3.45Å; V1193-L1636 HydrophobicContact CG1-CB 4.26Å; V1193-L1636 HydrophobicContact CG2-CB 4.41Å; V1193-L1636 HydrophobicContact CG2-CD1 4.06Å; V1193-P1637 WeakPolarHBondContact CG1-O 3.26Å; V1193-M1640 HydrophobicContact CG2-SD 4.17Å
1194S89.5Confident87.3Confident83 Ų8361.4 Ų61.458%0.5833%0.327SS*.Hα-helixtrans-60.8-47.1175.5-59.10000112.1N1190 Q1191 F1192 F1196 S1198N1190-S1194 WeakPolarHBondContact O-CB 3.43Å; N1190-S1194 PolarHBondContact O-N 3.1Å; N1190-S1194 PolarHBondContact O-OG 2.86Å; Q1191-S1194 PolarHBondContact O-N 2.91Å; F1192-S1194 VanDerWaalsContact C-N 3.27Å; F1192-S1194 PolarHBondContact O-N 3.39Å; S1194-F1196 VanDerWaalsContact C-N 3.35Å; S1194-F1196 PolarHBondContact O-N 2.84Å; S1194-S1198 PolarHBondContact O-N 3.32Å; S1194-S1198 VanDerWaalsContact O-N 3.16Å
1195S89.3Confident87Confident47 Ų4762.4 Ų62.433%0.32933%0.334SS..Hα-helixtrans-63.8-40.4177.780.70000112.1Q1191 F1192 S1198Q1191-S1195 PolarHBondContact O-N 3.47Å; F1192-S1195 PolarHBondContact O-N 3.14Å; F1192-S1195 PolarHBondContact O-OG 3.32Å; S1195-S1198 PolarHBondContact O-N 3.18Å; S1195-S1198 PolarHBondContact O-OG 3Å
1196F89.7Confident86.9Confident2 Ų265.5 Ų65.51%0.00935%0.351CS..Hα-helixtrans-66.6-44.2-179.6-172.1-80.4000111.9F1192 V1193 S1194 S1198 L1199 R1204 L1213 I1630 Q1634 L1636F1192-F1196 HydrophobicContact CE1-CB 4.42Å; F1192-F1196 HydrophobicContact CE1-CD2 4.08Å; F1192-F1196 HydrophobicContact CZ-CD2 4.18Å; F1192-F1196 WeakPolarHBondContact O-CB 3.5Å; F1192-F1196 PolarHBondContact O-N 3.28Å; V1193-F1196 PolarHBondContact O-N 2.87Å; S1194-F1196 VanDerWaalsContact C-N 3.35Å; S1194-F1196 PolarHBondContact O-N 2.84Å; F1196-S1198 VanDerWaalsContact C-N 3.3Å; F1196-S1198 PolarHBondContact O-N 3.27Å; F1196-L1199 WeakPolarHBondContact O-CB 3.42Å; F1196-L1199 PolarHBondContact O-N 3.04Å; F1196-R1204 PolarHBondContact O-NH2 2.92Å; F1196-L1213 HydrophobicContact CD2-CD2 3.71Å; F1196-L1213 HydrophobicContact CE2-CB 4.37Å; F1196-L1213 HydrophobicContact CE2-CD1 3.86Å; F1196-L1213 HydrophobicContact CE2-CD2 3.72Å; F1196-L1213 HydrophobicContact CE2-CG 4.2Å; F1196-L1213 HydrophobicContact CZ-CD1 4.18Å; F1196-I1630 HydrophobicContact CE2-CD1 4.02Å; F1196-I1630 HydrophobicContact CE2-CG1 3.52Å; F1196-I1630 HydrophobicContact CZ-CG1 3.72Å; F1196-Q1634 WeakPolarHBondContact CE1-O 3.24Å; F1196-L1636 HydrophobicContact CB-CD1 3.91Å; F1196-L1636 HydrophobicContact CD1-CB 4.29Å; F1196-L1636 HydrophobicContact CD1-CD1 3.69Å; F1196-L1636 HydrophobicContact CD1-CG 3.61Å; F1196-L1636 HydrophobicContact CD2-CD1 3.99Å; F1196-L1636 HydrophobicContact CE1-CD1 4.19Å; F1196-L1636 HydrophobicContact CE1-CG 3.76Å; F1196-L1636 HydrophobicContact CE2-CD1 4.46Å; F1196-L1636 HydrophobicContact CG-CD1 3.59Å; F1196-L1636 HydrophobicContact CG-CG 4.06Å; F1196-L1636 HydrophobicContact CZ-CG 4.33Å
1197N88.9Confident86.7Confident20 Ų2071.7 Ų71.711%0.10738%0.377CS..Hα-helixtrans-75.6-17.5-178.9-77.3-9.4000113.4V1193 L1199 K1635 L1636V1193-N1197 WeakPolarHBondContact O-CB 3.34Å; V1193-N1197 PolarHBondContact O-N 3.45Å; N1197-L1199 VanDerWaalsContact C-N 3.3Å; N1197-K1635 HydrophobicContact CB-CD 4.37Å; N1197-K1635 PolarHBondContact O-NZ 2.62Å; N1197-K1635 WeakPolarHBondContact OD1-CB 3.22Å; N1197-L1636 PolarHBondContact ND2-O 3.26Å; N1197-L1636 PolarHBondContact OD1-N 3.11Å
1198S87.3Confident86.7Confident95 Ų9573.6 Ų73.666%0.66439%0.386SS*.Hα-helixtrans-69.7-24.2171.381.10000113.7S1194 S1195 F1196S1194-S1198 PolarHBondContact O-N 3.32Å; S1194-S1198 VanDerWaalsContact O-N 3.16Å; S1195-S1198 PolarHBondContact O-N 3.18Å; S1195-S1198 PolarHBondContact O-OG 3Å; F1196-S1198 VanDerWaalsContact C-N 3.3Å; F1196-S1198 PolarHBondContact O-N 3.27Å
1199L84.6Confident86.6Confident26 Ų2670.4 Ų70.414%0.13637%0.374CS..SBendtrans-70.1138.3-176.3-155.6147.7000111F1196 N1197 M1203 R1204 T1209 L1213F1196-L1199 WeakPolarHBondContact O-CB 3.42Å; F1196-L1199 PolarHBondContact O-N 3.04Å; N1197-L1199 VanDerWaalsContact C-N 3.3Å; L1199-M1203 HydrophobicContact CD2-CB 3.72Å; L1199-R1204 HydrophobicContact CD2-CG 4.36Å; L1199-R1204 PolarHBondContact O-NH1 3.39Å; L1199-R1204 PolarHBondContact O-NH2 2.99Å; L1199-T1209 HydrophobicContact CD1-CG2 4.25Å; L1199-T1209 HydrophobicContact CD2-CG2 3.94Å; L1199-L1213 HydrophobicContact CD1-CD2 4.19Å
1200L80.4Confident86.5Confident117 Ų11771.7 Ų71.761%0.61338%0.379SS*.  trans-66.3141.8-175.2-72.893.5000111.9E1202 M1203L1200-E1202 VanDerWaalsContact C-N 3.3Å; L1200-E1202 PolarHBondContact O-N 3.14Å; L1200-M1203 PolarHBondContact O-N 2.87Å; L1200-M1203 VanDerWaalsContact O-N 3.13Å
1201N77.3Confident86.5Confident111 Ų11170.8 Ų70.859%0.59438%0.382SS*.G310 helixtrans-58.8-39.6-176.6-674.5000112.8M1203 R1204 K1635N1201-M1203 PolarHBondContact O-N 2.94Å; N1201-R1204 PolarHBondContact O-N 3.36Å; N1201-R1204 VanDerWaalsContact O-N 3.15Å; N1201-R1204 PolarHBondContact OD1-NH1 3.31Å; N1201-K1635 VanDerWaalsContact OD1-CE 3.32Å; N1201-K1635 WeakPolarHBondContact OD1-CE 3.24Å
1202E76.6Confident86.5Confident171 Ų17168.4 Ų68.480%0.79937%0.373SS*.G310 helixtrans-63.4-24.1-179.8-61.8178169.800113.6L1200 S1205L1200-E1202 VanDerWaalsContact C-N 3.3Å; L1200-E1202 PolarHBondContact O-N 3.14Å; E1202-S1205 PolarHBondContact O-OG 3.46Å
1203M81.5Confident86.5Confident93 Ų9367.7 Ų67.746%0.45837%0.37SS..G310 helixtrans-85.2-15.3177.9-66.6-170.670.900113.2L1199 L1200 N1201 S1205 D1206 T1209L1199-M1203 HydrophobicContact CD2-CB 3.72Å; L1200-M1203 PolarHBondContact O-N 2.87Å; L1200-M1203 VanDerWaalsContact O-N 3.13Å; N1201-M1203 PolarHBondContact O-N 2.94Å; M1203-S1205 PolarHBondContact O-N 3.14Å; M1203-D1206 PolarHBondContact O-N 3.46Å; M1203-D1206 VanDerWaalsContact O-N 3.15Å; M1203-T1209 HydrophobicContact CB-CG2 4.2Å; M1203-T1209 VanDerWaalsContact O-CB 3.3Å; M1203-T1209 WeakPolarHBondContact O-CB 3.36Å; M1203-T1209 WeakPolarHBondContact O-CG2 3.31Å
1204R83Confident86.6Confident6 Ų669.7 Ų69.72%0.02338%0.379CS..THydrogen-bonded Turntrans-68.3-22.6-179.5-69.6-164-176.372.514.3113.8F1196 L1199 N1201 E1633 Q1634F1196-R1204 PolarHBondContact O-NH2 2.92Å; L1199-R1204 HydrophobicContact CD2-CG 4.36Å; L1199-R1204 PolarHBondContact O-NH1 3.39Å; L1199-R1204 PolarHBondContact O-NH2 2.99Å; N1201-R1204 PolarHBondContact O-N 3.36Å; N1201-R1204 VanDerWaalsContact O-N 3.15Å; N1201-R1204 PolarHBondContact OD1-NH1 3.31Å; R1204-E1633 HydrophobicContact CB-CB 4.16Å; R1204-E1633 WeakPolarHBondContact CD-O 3.34Å; R1204-Q1634 WeakPolarHBondContact CD-O 3.49Å; R1204-Q1634 PolarHBondContact NE-O 3.22Å
1205S80.8Confident86.8Confident74 Ų7469 Ų6952%0.51737%0.374SS..THydrogen-bonded Turntrans-85.1-7.6174.553.20000114.4E1202 M1203 E1633E1202-S1205 PolarHBondContact O-OG 3.46Å; M1203-S1205 PolarHBondContact O-N 3.14Å; S1205-E1633 WeakPolarHBondContact CA-OE2 3.28Å; S1205-E1633 VanDerWaalsContact CB-OE2 3.28Å; S1205-E1633 WeakPolarHBondContact CB-OE2 3.2Å
1206D88Confident87Confident66 Ų6671.2 Ų71.235%0.35338%0.375SS..  trans-77.6140.5174.6167.153000111.4M1203 E1208 T1209 K1210M1203-D1206 PolarHBondContact O-N 3.46Å; M1203-D1206 VanDerWaalsContact O-N 3.15Å; D1206-E1208 PolarHBondContact OD1-N 2.75Å; D1206-E1208 PolarHBondContact OD2-N 3.26Å; D1206-T1209 WeakPolarHBondContact OD2-CB 3.5Å; D1206-T1209 PolarHBondContact OD2-N 2.95Å; D1206-T1209 PolarHBondContact OD2-OG1 2.9Å; D1206-K1210 VanDerWaalsContact O-CB 3.26Å; D1206-K1210 WeakPolarHBondContact O-CB 3.46Å; D1206-K1210 PolarHBondContact O-N 3.28Å
1207K87.4Confident87.2Confident175 Ų17571.1 Ų71.176%0.76137%0.374SS*.Hα-helixtrans-76.8-32.9-174.3-68-175.4178.4-178.70113.6A1211K1207-A1211 WeakPolarHBondContact O-CB 3.38Å; K1207-A1211 PolarHBondContact O-N 3.27Å
1208E90.3Very high87.4Confident164 Ų16472.7 Ų72.777%0.76638%0.382SS*.Hα-helixtrans-70.4-43.8175.5-63.5-172.4172.700109.5D1206 K1210 A1211 D1212D1206-E1208 PolarHBondContact OD1-N 2.75Å; D1206-E1208 PolarHBondContact OD2-N 3.26Å; E1208-K1210 PolarHBondContact O-N 3.43Å; E1208-A1211 PolarHBondContact O-N 3.43Å; E1208-D1212 PolarHBondContact O-N 3.21Å
1209T88.7Confident87.7Confident14 Ų1472.9 Ų72.99%0.08638%0.376CS..Hα-helixtrans-61.3-41.7173-52.50000112.2L1199 M1203 D1206 A1211 D1212 L1213L1199-T1209 HydrophobicContact CD1-CG2 4.25Å; L1199-T1209 HydrophobicContact CD2-CG2 3.94Å; M1203-T1209 HydrophobicContact CB-CG2 4.2Å; M1203-T1209 VanDerWaalsContact O-CB 3.3Å; M1203-T1209 WeakPolarHBondContact O-CB 3.36Å; M1203-T1209 WeakPolarHBondContact O-CG2 3.31Å; D1206-T1209 WeakPolarHBondContact OD2-CB 3.5Å; D1206-T1209 PolarHBondContact OD2-N 2.95Å; D1206-T1209 PolarHBondContact OD2-OG1 2.9Å; T1209-A1211 VanDerWaalsContact C-N 3.35Å; T1209-A1211 PolarHBondContact O-N 3.08Å; T1209-D1212 PolarHBondContact O-N 2.94Å; T1209-L1213 HydrophobicContact CG2-CD1 4.48Å; T1209-L1213 WeakPolarHBondContact O-CG 3.22Å; T1209-L1213 PolarHBondContact O-N 3.09Å
1210K90.3Very high88.1Confident27 Ų2772.1 Ų72.112%0.11737%0.372CS..Hα-helixtrans-65-37.3176.3-158.6174.9-151.8179.10112.2D1206 E1208 H1214 I1630 E1631 E1633D1206-K1210 VanDerWaalsContact O-CB 3.26Å; D1206-K1210 WeakPolarHBondContact O-CB 3.46Å; D1206-K1210 PolarHBondContact O-N 3.28Å; E1208-K1210 PolarHBondContact O-N 3.43Å; K1210-H1214 PolarHBondContact O-CD2 3.25Å; K1210-H1214 VanDerWaalsContact O-CD2 3.23Å; K1210-H1214 PolarHBondContact O-N 3.03Å; K1210-H1214 VanDerWaalsContact O-N 3.11Å; K1210-I1630 WeakPolarHBondContact CE-O 3.49Å; K1210-I1630 HydrophobicContact CG-CG2 3.72Å; K1210-E1631 WeakPolarHBondContact CE-OE2 3.45Å; K1210-E1631 PolarHBondContact NZ-O 3.33Å; K1210-E1631 IonicContact NZ-OE1 3.15Å; K1210-E1631 IonicContact NZ-OE2 3.65Å; K1210-E1631 PolarHBondContact NZ-OE2 2.87Å; K1210-E1633 IonicContact NZ-OE1 3.17Å; K1210-E1633 PolarHBondContact NZ-OE1 2.99Å
1211A88.9Confident88.7Confident53 Ų5369 Ų6944%0.43835%0.352SS..Hα-helixtrans-67.4-44.6173.900000111.9K1207 E1208 T1209 L1213 H1214 C1215K1207-A1211 WeakPolarHBondContact O-CB 3.38Å; K1207-A1211 PolarHBondContact O-N 3.27Å; E1208-A1211 PolarHBondContact O-N 3.43Å; T1209-A1211 VanDerWaalsContact C-N 3.35Å; T1209-A1211 PolarHBondContact O-N 3.08Å; A1211-L1213 VanDerWaalsContact C-N 3.34Å; A1211-L1213 PolarHBondContact O-N 3.35Å; A1211-H1214 PolarHBondContact O-N 3.17Å; A1211-C1215 PolarHBondContact O-N 3.2Å; A1211-C1215 PolarHBondContact O-SG 2.95Å; A1211-C1215 VanDerWaalsContact O-SG 3.35Å
1212D91.5Very high89.5Confident67 Ų6767.2 Ų67.236%0.35834%0.343SS..Hα-helixtrans-59.1-41.9174.1177.960000111.9E1208 T1209 H1214 C1215 R1216E1208-D1212 PolarHBondContact O-N 3.21Å; T1209-D1212 PolarHBondContact O-N 2.94Å; D1212-H1214 PolarHBondContact O-N 2.95Å; D1212-C1215 WeakPolarHBondContact O-CB 3.27Å; D1212-C1215 PolarHBondContact O-N 2.73Å; D1212-R1216 VanDerWaalsContact O-CG 3.32Å; D1212-R1216 WeakPolarHBondContact O-CG 3.49Å; D1212-R1216 PolarHBondContact O-N 3.5Å; D1212-R1216 IonicContact OD1-NE 3.05Å; D1212-R1216 IonicContact OD2-CZ 3.97Å; D1212-R1216 IonicContact OD2-NE 2.71Å; D1212-R1216 PolarHBondContact OD2-NE 3.43Å; D1212-R1216 IonicContact OD2-NH2 3.74Å; D1212-R1216 PolarHBondContact OD2-NH2 3.42Å
1213L91.8Very high90.3Very high5 Ų561.7 Ų61.73%0.02632%0.32CS..Hα-helixtrans-63.7-36.7174.5-72.7177.4000113.3F1196 L1199 T1209 A1211 T1217 I1630F1196-L1213 HydrophobicContact CD2-CD2 3.71Å; F1196-L1213 HydrophobicContact CE2-CB 4.37Å; F1196-L1213 HydrophobicContact CE2-CD1 3.86Å; F1196-L1213 HydrophobicContact CE2-CD2 3.72Å; F1196-L1213 HydrophobicContact CE2-CG 4.2Å; F1196-L1213 HydrophobicContact CZ-CD1 4.18Å; L1199-L1213 HydrophobicContact CD1-CD2 4.19Å; T1209-L1213 HydrophobicContact CG2-CD1 4.48Å; T1209-L1213 WeakPolarHBondContact O-CG 3.22Å; T1209-L1213 PolarHBondContact O-N 3.09Å; A1211-L1213 VanDerWaalsContact C-N 3.34Å; A1211-L1213 PolarHBondContact O-N 3.35Å; L1213-T1217 WeakPolarHBondContact O-CB 3.41Å; L1213-T1217 PolarHBondContact O-N 2.95Å; L1213-T1217 VanDerWaalsContact O-N 3.1Å; L1213-T1217 PolarHBondContact O-OG1 3.18Å; L1213-I1630 HydrophobicContact CB-CD1 4.01Å; L1213-I1630 HydrophobicContact CB-CG1 4.2Å; L1213-I1630 HydrophobicContact CB-CG2 4.36Å
1214H93.1Very high90.9Very high47 Ų4757.2 Ų57.222%0.21830%0.299CS..Hα-helixtrans-67.6-42.8171.8-79.3-60.3000111.8K1210 A1211 D1212 R1216 T1217 D1218 I1630 E1631K1210-H1214 PolarHBondContact O-CD2 3.25Å; K1210-H1214 VanDerWaalsContact O-CD2 3.23Å; K1210-H1214 PolarHBondContact O-N 3.03Å; K1210-H1214 VanDerWaalsContact O-N 3.11Å; A1211-H1214 PolarHBondContact O-N 3.17Å; D1212-H1214 PolarHBondContact O-N 2.95Å; H1214-R1216 PolarHBondContact O-N 3.08Å; H1214-T1217 WeakPolarHBondContact O-CA 3.41Å; H1214-T1217 WeakPolarHBondContact O-CB 3.43Å; H1214-T1217 PolarHBondContact O-N 2.91Å; H1214-D1218 PolarHBondContact O-N 2.82Å; H1214-I1630 WeakPolarHBondContact NE2-CG2 3.26Å; H1214-E1631 IonicContact CD2-OE1 3.62Å; H1214-E1631 IonicContact CE1-OE1 3.6Å; H1214-E1631 IonicContact NE2-OE1 2.96Å; H1214-E1631 PolarHBondContact NE2-OE1 2.71Å
1215C93Very high91.4Very high70 Ų7059.7 Ų59.747%0.47331%0.308SS..Hα-helixtrans-57.2-49.9174.2-68.10000111.6A1211 D1212 T1217 D1218 D1219A1211-C1215 PolarHBondContact O-N 3.2Å; A1211-C1215 PolarHBondContact O-SG 2.95Å; A1211-C1215 VanDerWaalsContact O-SG 3.35Å; D1212-C1215 WeakPolarHBondContact O-CB 3.27Å; D1212-C1215 PolarHBondContact O-N 2.73Å; C1215-T1217 PolarHBondContact O-N 3.34Å; C1215-D1218 CarbonylContact O-C 3.53Å; C1215-D1218 WeakPolarHBondContact O-CA 3.43Å; C1215-D1218 WeakPolarHBondContact O-CB 3.49Å; C1215-D1218 PolarHBondContact O-N 2.85Å; C1215-D1219 PolarHBondContact O-N 3.37Å
1216R93.3Very high92Very high93 Ų9362.3 Ų62.335%0.35131%0.312SS..Hα-helixtrans-60.8-27.2175.5-64.2177.3-162.1-156.19.4113.3F1192 D1212 H1214 D1219 L1220F1192-R1216 HydrophobicContact CE2-CB 3.98Å; F1192-R1216 WeakPolarHBondContact CE2-O 3.5Å; D1212-R1216 VanDerWaalsContact O-CG 3.32Å; D1212-R1216 WeakPolarHBondContact O-CG 3.49Å; D1212-R1216 PolarHBondContact O-N 3.5Å; D1212-R1216 IonicContact OD1-NE 3.05Å; D1212-R1216 IonicContact OD2-CZ 3.97Å; D1212-R1216 IonicContact OD2-NE 2.71Å; D1212-R1216 PolarHBondContact OD2-NE 3.43Å; D1212-R1216 IonicContact OD2-NH2 3.74Å; D1212-R1216 PolarHBondContact OD2-NH2 3.42Å; H1214-R1216 PolarHBondContact O-N 3.08Å; R1216-D1219 WeakPolarHBondContact CA-OD2 3.28Å; R1216-L1220 WeakPolarHBondContact O-CB 3.12Å; R1216-L1220 PolarHBondContact O-N 3.29Å
1217T93.4Very high92.2Very high0 Ų059.7 Ų59.70%030%0.298CS..Hα-helixtrans-76.1-31.3175.3-56.20000111.5L1213 H1214 C1215 R1221 L1623 I1626 R1627 I1630L1213-T1217 WeakPolarHBondContact O-CB 3.41Å; L1213-T1217 PolarHBondContact O-N 2.95Å; L1213-T1217 VanDerWaalsContact O-N 3.1Å; L1213-T1217 PolarHBondContact O-OG1 3.18Å; H1214-T1217 WeakPolarHBondContact O-CA 3.41Å; H1214-T1217 WeakPolarHBondContact O-CB 3.43Å; H1214-T1217 PolarHBondContact O-N 2.91Å; C1215-T1217 PolarHBondContact O-N 3.34Å; T1217-R1221 PolarHBondContact O-N 3.12Å; T1217-L1623 HydrophobicContact CG2-CD2 3.68Å; T1217-L1623 WeakPolarHBondContact O-CD2 3.47Å; T1217-I1626 HydrophobicContact CG2-CB 4.19Å; T1217-I1626 HydrophobicContact CG2-CG2 3.64Å; T1217-I1626 WeakPolarHBondContact OG1-CG2 3.47Å; T1217-R1627 HydrophobicContact CG2-CG 4Å; T1217-I1630 VanDerWaalsContact OG1-CD1 3.26Å; T1217-I1630 WeakPolarHBondContact OG1-CD1 3.4Å
1218D93.2Very high92.4Very high52 Ų5251.4 Ų51.428%0.27826%0.262SS..Hα-helixtrans-72.3-39.4169.5-72.9-21.7000111.4H1214 C1215 L1220 R1221 D1222 R1627H1214-D1218 PolarHBondContact O-N 2.82Å; C1215-D1218 CarbonylContact O-C 3.53Å; C1215-D1218 WeakPolarHBondContact O-CA 3.43Å; C1215-D1218 WeakPolarHBondContact O-CB 3.49Å; C1215-D1218 PolarHBondContact O-N 2.85Å; D1218-L1220 VanDerWaalsContact C-N 3.3Å; D1218-L1220 PolarHBondContact O-N 3.17Å; D1218-R1221 VanDerWaalsContact CG-NH1 3.34Å; D1218-R1221 WeakPolarHBondContact O-CB 3.27Å; D1218-R1221 PolarHBondContact O-N 2.91Å; D1218-R1221 VanDerWaalsContact O-N 3.15Å; D1218-R1221 IonicContact OD1-CZ 3.52Å; D1218-R1221 IonicContact OD1-NH1 3.42Å; D1218-R1221 PolarHBondContact OD1-NH1 3.31Å; D1218-R1221 IonicContact OD1-NH2 2.86Å; D1218-D1222 PolarHBondContact O-N 2.91Å; D1218-R1627 IonicContact OD1-CZ 2.66Å; D1218-R1627 IonicContact OD1-NH2 3.29Å; D1218-R1627 PolarHBondContact OD1-NH2 3.48Å
1219D93.7Very high92.5Very high100 Ų10047.3 Ų47.354%0.53525%0.246SC..Hα-helixtrans-59.7-40.1170.5-59.4-36.1000111.5C1215 R1216 D1222 T1223C1215-D1219 PolarHBondContact O-N 3.37Å; R1216-D1219 WeakPolarHBondContact CA-OD2 3.28Å; D1219-D1222 PolarHBondContact O-N 3.38Å; D1219-T1223 WeakPolarHBondContact O-CG2 3.46Å; D1219-T1223 PolarHBondContact O-N 2.97Å; D1219-T1223 PolarHBondContact O-OG1 2.95Å
1220L93.4Very high92.7Very high9 Ų952.9 Ų52.95%0.04727%0.271CS..Hα-helixtrans-65-41.5173.6179.967.9000111.9L1189 F1192 R1216 D1218 D1222 T1223 L1224 L1623 I1626L1189-L1220 HydrophobicContact CD1-CD2 4.37Å; F1192-L1220 HydrophobicContact CB-CD1 4.06Å; F1192-L1220 HydrophobicContact CB-CD2 4.1Å; F1192-L1220 HydrophobicContact CD1-CD2 3.77Å; F1192-L1220 HydrophobicContact CD2-CB 4.06Å; F1192-L1220 HydrophobicContact CD2-CD1 4.44Å; F1192-L1220 HydrophobicContact CD2-CD2 3.96Å; F1192-L1220 HydrophobicContact CD2-CG 4.36Å; F1192-L1220 HydrophobicContact CE1-CD2 4.14Å; F1192-L1220 HydrophobicContact CE2-CB 4.22Å; F1192-L1220 HydrophobicContact CE2-CD2 4.3Å; F1192-L1220 HydrophobicContact CG-CD1 4.34Å; F1192-L1220 HydrophobicContact CG-CD2 3.67Å; F1192-L1220 HydrophobicContact CG-CG 4.41Å; F1192-L1220 HydrophobicContact CZ-CD2 4.39Å; R1216-L1220 WeakPolarHBondContact O-CB 3.12Å; R1216-L1220 PolarHBondContact O-N 3.29Å; D1218-L1220 VanDerWaalsContact C-N 3.3Å; D1218-L1220 PolarHBondContact O-N 3.17Å; L1220-D1222 VanDerWaalsContact C-N 3.34Å; L1220-T1223 WeakPolarHBondContact CA-OG1 3.34Å; L1220-T1223 PolarHBondContact O-OG1 2.84Å; L1220-L1224 HydrophobicContact CD1-CD1 3.97Å; L1220-L1224 HydrophobicContact CD1-CG 4.09Å; L1220-L1224 HydrophobicContact CD2-CD1 4.42Å; L1220-L1224 HydrophobicContact CG-CD1 3.85Å; L1220-L1224 HydrophobicContact CG-CG 4.33Å; L1220-L1224 VanDerWaalsContact O-CB 3.29Å; L1220-L1224 WeakPolarHBondContact O-CB 3.1Å; L1220-L1224 WeakPolarHBondContact O-CG 3.21Å; L1220-L1224 PolarHBondContact O-N 3.44Å; L1220-L1623 HydrophobicContact CD2-CD2 4.26Å; L1220-I1626 HydrophobicContact CD2-CD1 3.69Å
1221R93.5Very high92.6Very high51 Ų5152.8 Ų52.819%0.19227%0.272CS..Hα-helixtrans-58-50.7174178.8-166.561.7-113.9-13.8110.2T1217 D1218 L1224 Y1225 L1623T1217-R1221 PolarHBondContact O-N 3.12Å; D1218-R1221 VanDerWaalsContact CG-NH1 3.34Å; D1218-R1221 WeakPolarHBondContact O-CB 3.27Å; D1218-R1221 PolarHBondContact O-N 2.91Å; D1218-R1221 VanDerWaalsContact O-N 3.15Å; D1218-R1221 IonicContact OD1-CZ 3.52Å; D1218-R1221 IonicContact OD1-NH1 3.42Å; D1218-R1221 PolarHBondContact OD1-NH1 3.31Å; D1218-R1221 IonicContact OD1-NH2 2.86Å; R1221-L1224 PolarHBondContact O-N 3.18Å; R1221-Y1225 HydrophobicContact CG-CD1 4.28Å; R1221-Y1225 HydrophobicContact CG-CD2 3.93Å; R1221-Y1225 HydrophobicContact CG-CE1 4.1Å; R1221-Y1225 HydrophobicContact CG-CE2 3.72Å; R1221-Y1225 HydrophobicContact CG-CG 4.22Å; R1221-Y1225 WeakPolarHBondContact O-CB 3.21Å; R1221-Y1225 PolarHBondContact O-N 2.99Å; R1221-L1623 HydrophobicContact CB-CD1 3.5Å; R1221-L1623 VanDerWaalsContact CB-CD1 3.5Å; R1221-L1623 HydrophobicContact CB-CD2 4.18Å; R1221-L1623 HydrophobicContact CG-CD1 3.58Å
1222D94Very high92.7Very high75 Ų7553 Ų5340%0.40126%0.264SS..Hα-helixtrans-70-38.5-169.3-66.4-15.7000110.6D1218 D1219 L1220 Y1225 E1226D1218-D1222 PolarHBondContact O-N 2.91Å; D1219-D1222 PolarHBondContact O-N 3.38Å; L1220-D1222 VanDerWaalsContact C-N 3.34Å; D1222-Y1225 PolarHBondContact O-N 3.28Å; D1222-E1226 WeakPolarHBondContact O-CG 3.21Å; D1222-E1226 PolarHBondContact O-N 3.04Å
1223T92.9Very high92.7Very high54 Ų5455.7 Ų55.733%0.33127%0.274SS..Hα-helixtrans-66.2-3817049.60000113.7D1219 L1220 Y1225 E1226 I1227D1219-T1223 WeakPolarHBondContact O-CG2 3.46Å; D1219-T1223 PolarHBondContact O-N 2.97Å; D1219-T1223 PolarHBondContact O-OG1 2.95Å; L1220-T1223 WeakPolarHBondContact CA-OG1 3.34Å; L1220-T1223 PolarHBondContact O-OG1 2.84Å; T1223-Y1225 VanDerWaalsContact C-N 3.31Å; T1223-Y1225 PolarHBondContact O-N 3.47Å; T1223-E1226 PolarHBondContact O-N 2.88Å; T1223-I1227 WeakPolarHBondContact O-CG1 3.45Å; T1223-I1227 PolarHBondContact O-N 3.16Å
1224L93.9Very high92.6Very high0 Ų057.1 Ų57.10%029%0.286CS..Hα-helixtrans-67.7-31.4173-72.7174.9000112.5K1185 L1220 R1221 I1228 V1619 L1642K1185-L1224 HydrophobicContact CB-CD2 3.69Å; K1185-L1224 HydrophobicContact CD-CD2 4.35Å; K1185-L1224 HydrophobicContact CG-CD2 3.93Å; L1220-L1224 HydrophobicContact CD1-CD1 3.97Å; L1220-L1224 HydrophobicContact CD1-CG 4.09Å; L1220-L1224 HydrophobicContact CD2-CD1 4.42Å; L1220-L1224 HydrophobicContact CG-CD1 3.85Å; L1220-L1224 HydrophobicContact CG-CG 4.33Å; L1220-L1224 VanDerWaalsContact O-CB 3.29Å; L1220-L1224 WeakPolarHBondContact O-CB 3.1Å; L1220-L1224 WeakPolarHBondContact O-CG 3.21Å; L1220-L1224 PolarHBondContact O-N 3.44Å; R1221-L1224 PolarHBondContact O-N 3.18Å; L1224-I1228 WeakPolarHBondContact O-CG1 3.46Å; L1224-I1228 PolarHBondContact O-N 2.87Å; L1224-I1228 VanDerWaalsContact O-N 3.14Å; L1224-V1619 HydrophobicContact CB-CG1 4.01Å; L1224-V1619 HydrophobicContact CB-CG2 4.19Å; L1224-V1619 HydrophobicContact CD1-CG1 4Å; L1224-V1619 HydrophobicContact CD1-CG2 4.31Å; L1224-L1642 HydrophobicContact CD1-CD1 4.48Å
1225Y94.6Very high92.4Very high57 Ų5754.9 Ų54.922%0.22428%0.276CS..Hα-helixtrans-74.7-37.8174.6-78.54000112.3R1221 D1222 T1223 I1227 I1228 D1229 H1616 V1619 N1620R1221-Y1225 HydrophobicContact CG-CD1 4.28Å; R1221-Y1225 HydrophobicContact CG-CD2 3.93Å; R1221-Y1225 HydrophobicContact CG-CE1 4.1Å; R1221-Y1225 HydrophobicContact CG-CE2 3.72Å; R1221-Y1225 HydrophobicContact CG-CG 4.22Å; R1221-Y1225 WeakPolarHBondContact O-CB 3.21Å; R1221-Y1225 PolarHBondContact O-N 2.99Å; D1222-Y1225 PolarHBondContact O-N 3.28Å; T1223-Y1225 VanDerWaalsContact C-N 3.31Å; T1223-Y1225 PolarHBondContact O-N 3.47Å; Y1225-I1227 VanDerWaalsContact C-N 3.27Å; Y1225-I1227 PolarHBondContact O-N 2.84Å; Y1225-I1228 HydrophobicContact CD1-CD1 4.22Å; Y1225-I1228 PolarHBondContact O-N 3.46Å; Y1225-I1228 VanDerWaalsContact O-N 3.08Å; Y1225-D1229 PolarHBondContact O-N 3.12Å; Y1225-H1616 AromaticContact CD1-ND1 3.52Å; Y1225-H1616 AromaticContact CE1-ND1 3.33Å; Y1225-H1616 VanDerWaalsContact CE1-ND1 3.33Å; Y1225-H1616 WeakPolarHBondContact CE1-ND1 3.4Å; Y1225-H1616 AromaticContact CZ-ND1 3.79Å; Y1225-V1619 HydrophobicContact CD1-CG1 4.05Å; Y1225-V1619 HydrophobicContact CE1-CB 4.2Å; Y1225-V1619 HydrophobicContact CE1-CG1 3.7Å; Y1225-N1620 PolarHBondContact OH-ND2 3.29Å; Y1225-N1620 PolarHBondContact OH-OD1 2.83Å
1226E93.8Very high92.2Very high129 Ų12955.3 Ų55.360%0.60327%0.271SS*.Hα-helixtrans-55.9-43.4169.4-75.8177.716000110.7D1222 T1223 I1228 D1229 E1230D1222-E1226 WeakPolarHBondContact O-CG 3.21Å; D1222-E1226 PolarHBondContact O-N 3.04Å; T1223-E1226 PolarHBondContact O-N 2.88Å; E1226-I1228 PolarHBondContact O-N 3.34Å; E1226-D1229 PolarHBondContact O-N 3.47Å; E1226-E1230 WeakPolarHBondContact O-CB 3.3Å; E1226-E1230 WeakPolarHBondContact O-CG 3.46Å; E1226-E1230 PolarHBondContact O-N 3.48Å
1227I91.9Very high91.9Very high12 Ų1254.3 Ų54.36%0.06227%0.273CS..Hα-helixtrans-64.8-36175.1-64.4162.6000112.2S1184 K1185 F1188 T1223 Y1225 T1231S1184-I1227 WeakPolarHBondContact OG-CG2 3.23Å; K1185-I1227 HydrophobicContact CD-CG2 4.47Å; K1185-I1227 HydrophobicContact CG-CB 4.34Å; K1185-I1227 HydrophobicContact CG-CG2 3.7Å; F1188-I1227 HydrophobicContact CD2-CD1 3.42Å; F1188-I1227 VanDerWaalsContact CD2-CD1 3.42Å; F1188-I1227 HydrophobicContact CE2-CD1 3.57Å; F1188-I1227 HydrophobicContact CG-CD1 4.34Å; T1223-I1227 WeakPolarHBondContact O-CG1 3.45Å; T1223-I1227 PolarHBondContact O-N 3.16Å; Y1225-I1227 VanDerWaalsContact C-N 3.27Å; Y1225-I1227 PolarHBondContact O-N 2.84Å; I1227-T1231 HydrophobicContact CG2-CG2 4.36Å; I1227-T1231 WeakPolarHBondContact O-CB 3.44Å; I1227-T1231 VanDerWaalsContact O-CG2 3.28Å; I1227-T1231 WeakPolarHBondContact O-CG2 3.37Å; I1227-T1231 PolarHBondContact O-N 3.27Å; I1227-T1231 PolarHBondContact O-OG1 2.83Å
1228I92.1Very high91.4Very high0 Ų058.7 Ų58.70%029%0.289CS..Hα-helixtrans-67.6-44.1174.8-69.3170000110.9K1185 L1224 Y1225 E1226 T1231 K1232 T1612 E1615 V1619K1185-I1228 HydrophobicContact CD-CD1 4.39Å; K1185-I1228 HydrophobicContact CD-CG1 4.03Å; L1224-I1228 WeakPolarHBondContact O-CG1 3.46Å; L1224-I1228 PolarHBondContact O-N 2.87Å; L1224-I1228 VanDerWaalsContact O-N 3.14Å; Y1225-I1228 HydrophobicContact CD1-CD1 4.22Å; Y1225-I1228 PolarHBondContact O-N 3.46Å; Y1225-I1228 VanDerWaalsContact O-N 3.08Å; E1226-I1228 PolarHBondContact O-N 3.34Å; I1228-T1231 WeakPolarHBondContact CA-OG1 3.27Å; I1228-T1231 PolarHBondContact O-N 3.12Å; I1228-T1231 PolarHBondContact O-OG1 2.82Å; I1228-T1231 VanDerWaalsContact O-OG1 3.08Å; I1228-K1232 WeakPolarHBondContact O-CB 3.27Å; I1228-K1232 PolarHBondContact O-N 2.84Å; I1228-T1612 HydrophobicContact CG2-CG2 4.37Å; I1228-E1615 HydrophobicContact CD1-CB 3.82Å; I1228-E1615 HydrophobicContact CG1-CB 4.08Å; I1228-V1619 HydrophobicContact CD1-CG2 3.86Å
1229D91.8Very high91Very high79 Ų7956.6 Ų56.642%0.42228%0.278SS..Hα-helixtrans-70.6-35.1177.6-90.6-38.1000112.4Y1225 E1226 K1232 Q1233Y1225-D1229 PolarHBondContact O-N 3.12Å; E1226-D1229 PolarHBondContact O-N 3.47Å; D1229-K1232 WeakPolarHBondContact OD1-CD 3.14Å; D1229-K1232 IonicContact OD1-NZ 2.78Å; D1229-K1232 PolarHBondContact OD1-NZ 3.08Å; D1229-Q1233 VanDerWaalsContact O-CB 3.27Å; D1229-Q1233 WeakPolarHBondContact O-CB 3.46Å; D1229-Q1233 PolarHBondContact O-N 3.49Å
1230E92Very high90.3Very high130 Ų13056.9 Ų56.961%0.60727%0.274SS*.Hα-helixtrans-62-49.8170.1-79.5-168.416400111.7E1226 K1232 Q1233 A1234E1226-E1230 WeakPolarHBondContact O-CB 3.3Å; E1226-E1230 WeakPolarHBondContact O-CG 3.46Å; E1226-E1230 PolarHBondContact O-N 3.48Å; E1230-K1232 VanDerWaalsContact C-N 3.34Å; E1230-K1232 PolarHBondContact O-N 3.33Å; E1230-Q1233 PolarHBondContact O-N 3.2Å; E1230-A1234 WeakPolarHBondContact O-CB 3.48Å; E1230-A1234 PolarHBondContact O-N 3.3Å
1231T89Confident89.7Confident25 Ų2560.3 Ų60.315%0.15330%0.296CS..Hα-helixtrans-67.4-35.2-179.152.50000112.1R1181 I1227 I1228 A1234 N1235R1181-T1231 PolarHBondContact NH2-O 3.49Å; I1227-T1231 HydrophobicContact CG2-CG2 4.36Å; I1227-T1231 WeakPolarHBondContact O-CB 3.44Å; I1227-T1231 VanDerWaalsContact O-CG2 3.28Å; I1227-T1231 WeakPolarHBondContact O-CG2 3.37Å; I1227-T1231 PolarHBondContact O-N 3.27Å; I1227-T1231 PolarHBondContact O-OG1 2.83Å; I1228-T1231 WeakPolarHBondContact CA-OG1 3.27Å; I1228-T1231 PolarHBondContact O-N 3.12Å; I1228-T1231 PolarHBondContact O-OG1 2.82Å; I1228-T1231 VanDerWaalsContact O-OG1 3.08Å; T1231-A1234 PolarHBondContact O-N 3.48Å; T1231-N1235 WeakPolarHBondContact O-CB 3.5Å; T1231-N1235 PolarHBondContact O-N 2.86Å; T1231-N1235 PolarHBondContact O-ND2 3.42Å; T1231-N1235 PolarHBondContact O-OD1 3.43Å
1232K90.9Very high88.9Confident59 Ų5958.6 Ų58.626%0.25729%0.291SS..Hα-helixtrans-62.6-48.2168.7172.9-174.4166.7-165.20112.3I1228 D1229 E1230 A1234 N1235 E1236 I1608 T1612I1228-K1232 WeakPolarHBondContact O-CB 3.27Å; I1228-K1232 PolarHBondContact O-N 2.84Å; D1229-K1232 WeakPolarHBondContact OD1-CD 3.14Å; D1229-K1232 IonicContact OD1-NZ 2.78Å; D1229-K1232 PolarHBondContact OD1-NZ 3.08Å; E1230-K1232 VanDerWaalsContact C-N 3.34Å; E1230-K1232 PolarHBondContact O-N 3.33Å; K1232-A1234 VanDerWaalsContact C-N 3.28Å; K1232-A1234 PolarHBondContact O-N 2.79Å; K1232-N1235 CarbonylContact O-C 3.5Å; K1232-N1235 WeakPolarHBondContact O-CA 3.35Å; K1232-N1235 WeakPolarHBondContact O-CB 3.25Å; K1232-N1235 PolarHBondContact O-N 3.08Å; K1232-E1236 PolarHBondContact O-N 3.03Å; K1232-I1608 HydrophobicContact CG-CG2 4.05Å; K1232-T1612 HydrophobicContact CB-CG2 3.72Å; K1232-T1612 HydrophobicContact CD-CG2 3.92Å; K1232-T1612 HydrophobicContact CG-CG2 3.85Å
1233Q91.3Very high87.8Confident122 Ų12255.6 Ų55.657%0.5728%0.275SS*.Hα-helixtrans-63.3-37.1177.3-165.7-18034.300110.9D1229 E1230 N1235 E1236 N1237D1229-Q1233 VanDerWaalsContact O-CB 3.27Å; D1229-Q1233 WeakPolarHBondContact O-CB 3.46Å; D1229-Q1233 PolarHBondContact O-N 3.49Å; E1230-Q1233 PolarHBondContact O-N 3.2Å; Q1233-N1235 VanDerWaalsContact C-N 3.34Å; Q1233-E1236 PolarHBondContact O-N 2.99Å; Q1233-N1237 VanDerWaalsContact O-CB 3.25Å; Q1233-N1237 WeakPolarHBondContact O-CB 3.25Å; Q1233-N1237 PolarHBondContact O-N 2.63Å; Q1233-N1237 PolarHBondContact O-ND2 2.72Å
1234A89.6Confident86.3Confident35 Ų3558 Ų5829%0.28929%0.286SS..Hα-helixtrans-66.5-31.6170.800000113.1Y1178 E1230 T1231 K1232 R1238Y1178-A1234 PolarHBondContact OH-O 2.88Å; E1230-A1234 WeakPolarHBondContact O-CB 3.48Å; E1230-A1234 PolarHBondContact O-N 3.3Å; T1231-A1234 PolarHBondContact O-N 3.48Å; K1232-A1234 VanDerWaalsContact C-N 3.28Å; K1232-A1234 PolarHBondContact O-N 2.79Å; A1234-R1238 VanDerWaalsContact O-CB 3.23Å; A1234-R1238 WeakPolarHBondContact O-CB 3.47Å; A1234-R1238 PolarHBondContact O-N 3.11Å
1235N89.2Confident84.9Confident1 Ų161.3 Ų61.31%0.00530%0.302CS..Hα-helixtrans-70.3-45.8172.3-64.6-22.2000111.4L1179 R1181 T1231 K1232 Q1233 R1238 L1239 I1608L1179-N1235 HydrophobicContact CD2-CB 4.25Å; R1181-N1235 VanDerWaalsContact CZ-OD1 3.3Å; R1181-N1235 PolarHBondContact NH1-OD1 2.86Å; R1181-N1235 PolarHBondContact NH2-OD1 3.01Å; T1231-N1235 WeakPolarHBondContact O-CB 3.5Å; T1231-N1235 PolarHBondContact O-N 2.86Å; T1231-N1235 PolarHBondContact O-ND2 3.42Å; T1231-N1235 PolarHBondContact O-OD1 3.43Å; K1232-N1235 CarbonylContact O-C 3.5Å; K1232-N1235 WeakPolarHBondContact O-CA 3.35Å; K1232-N1235 WeakPolarHBondContact O-CB 3.25Å; K1232-N1235 PolarHBondContact O-N 3.08Å; Q1233-N1235 VanDerWaalsContact C-N 3.34Å; N1235-R1238 PolarHBondContact O-N 3.13Å; N1235-L1239 VanDerWaalsContact O-CB 3.25Å; N1235-L1239 WeakPolarHBondContact O-CB 3.23Å; N1235-L1239 PolarHBondContact O-N 3.45Å; N1235-I1608 HydrophobicContact CB-CD1 3.9Å; N1235-I1608 HydrophobicContact CB-CG1 4Å; N1235-I1608 HydrophobicContact CB-CG2 4.14Å
1236E88.4Confident83.1Confident79 Ų7963.9 Ų63.937%0.36933%0.326SS..Hα-helixtrans-64.9-38176.6-71.6-178.7-157.900112.1K1232 Q1233 L1239 K1240 I1608K1232-E1236 PolarHBondContact O-N 3.03Å; Q1233-E1236 PolarHBondContact O-N 2.99Å; E1236-L1239 PolarHBondContact O-N 3.43Å; E1236-K1240 WeakPolarHBondContact O-CG 3.25Å; E1236-K1240 PolarHBondContact O-N 3.01Å; E1236-K1240 VanDerWaalsContact O-N 3.08Å; E1236-I1608 HydrophobicContact CG-CD1 3.9Å
1237N87.1Confident81.7Confident72 Ų7259 Ų5939%0.38531%0.31SS..Hα-helixtrans-69.9-43.2175.2-71.8-18.4000111.4Q1233 L1239 K1240 T1241Q1233-N1237 VanDerWaalsContact O-CB 3.25Å; Q1233-N1237 WeakPolarHBondContact O-CB 3.25Å; Q1233-N1237 PolarHBondContact O-N 2.63Å; Q1233-N1237 PolarHBondContact O-ND2 2.72Å; N1237-L1239 VanDerWaalsContact C-N 3.3Å; N1237-L1239 PolarHBondContact O-N 3.1Å; N1237-K1240 WeakPolarHBondContact O-CB 3.26Å; N1237-K1240 PolarHBondContact O-N 2.64Å; N1237-K1240 PolarHBondContact OD1-NZ 3.37Å; N1237-T1241 PolarHBondContact O-N 3.15Å; N1237-T1241 PolarHBondContact O-OG1 2.98Å
1238R84Confident81Confident92 Ų9260.7 Ų60.735%0.34732%0.316SS..Hα-helixtrans-64.1-34.7173.3-177.159.2169.5164-0.1112.4Y1178 A1234 N1235 K1240 T1241 L1242Y1178-R1238 HydrophobicContact CD1-CB 4.05Å; Y1178-R1238 HydrophobicContact CD1-CG 3.66Å; Y1178-R1238 HydrophobicContact CD2-CG 4.15Å; Y1178-R1238 HydrophobicContact CE1-CB 3.43Å; Y1178-R1238 VanDerWaalsContact CE1-CB 3.43Å; Y1178-R1238 HydrophobicContact CE1-CG 3.49Å; Y1178-R1238 VanDerWaalsContact CE1-CG 3.49Å; Y1178-R1238 HydrophobicContact CE2-CB 4.48Å; Y1178-R1238 HydrophobicContact CE2-CG 4Å; Y1178-R1238 HydrophobicContact CG-CG 3.98Å; A1234-R1238 VanDerWaalsContact O-CB 3.23Å; A1234-R1238 WeakPolarHBondContact O-CB 3.47Å; A1234-R1238 PolarHBondContact O-N 3.11Å; N1235-R1238 PolarHBondContact O-N 3.13Å; R1238-K1240 VanDerWaalsContact C-N 3.35Å; R1238-T1241 PolarHBondContact O-N 2.8Å; R1238-L1242 HydrophobicContact CG-CD1 3.92Å; R1238-L1242 HydrophobicContact CG-CG 4.26Å; R1238-L1242 WeakPolarHBondContact O-CB 3.44Å; R1238-L1242 WeakPolarHBondContact O-CG 3.35Å; R1238-L1242 PolarHBondContact O-N 3.09Å
1239L84.7Confident80.3Confident8 Ų861.7 Ų61.74%0.04232%0.32CS..Hα-helixtrans-62.6-40.917417858.2000111.5F1175 N1235 E1236 N1237 L1242 L1243 M1604 T1605 I1608F1175-L1239 HydrophobicContact CE2-CB 3.99Å; F1175-L1239 HydrophobicContact CE2-CD1 4.24Å; F1175-L1239 HydrophobicContact CZ-CB 4.39Å; F1175-L1239 HydrophobicContact CZ-CD1 4.33Å; N1235-L1239 VanDerWaalsContact O-CB 3.25Å; N1235-L1239 WeakPolarHBondContact O-CB 3.23Å; N1235-L1239 PolarHBondContact O-N 3.45Å; E1236-L1239 PolarHBondContact O-N 3.43Å; N1237-L1239 VanDerWaalsContact C-N 3.3Å; N1237-L1239 PolarHBondContact O-N 3.1Å; L1239-L1242 PolarHBondContact O-N 3.32Å; L1239-L1243 HydrophobicContact CD1-CD1 3.7Å; L1239-L1243 HydrophobicContact CD1-CG 4.14Å; L1239-L1243 HydrophobicContact CG-CD1 4.01Å; L1239-L1243 WeakPolarHBondContact O-CB 3.4Å; L1239-L1243 WeakPolarHBondContact O-CG 3.41Å; L1239-L1243 PolarHBondContact O-N 3.14Å; L1239-L1243 VanDerWaalsContact O-N 3.13Å; L1239-M1604 HydrophobicContact CD1-CB 3.57Å; L1239-M1604 HydrophobicContact CD1-CE 3.64Å; L1239-M1604 HydrophobicContact CD1-CG 4.41Å; L1239-M1604 HydrophobicContact CD1-SD 4.13Å; L1239-M1604 HydrophobicContact CD2-CB 4.25Å; L1239-T1605 HydrophobicContact CD2-CG2 3.56Å; L1239-I1608 HydrophobicContact CB-CD1 4.36Å; L1239-I1608 HydrophobicContact CD2-CD1 3.83Å
1240K79.2Confident79.6Confident105 Ų10561.3 Ų61.346%0.45732%0.321SS..Hα-helixtrans-59.1-53.5168.9-63.1159.7-157160.70109.9E1236 N1237 R1238 L1242 L1243 D1244E1236-K1240 WeakPolarHBondContact O-CG 3.25Å; E1236-K1240 PolarHBondContact O-N 3.01Å; E1236-K1240 VanDerWaalsContact O-N 3.08Å; N1237-K1240 WeakPolarHBondContact O-CB 3.26Å; N1237-K1240 PolarHBondContact O-N 2.64Å; N1237-K1240 PolarHBondContact OD1-NZ 3.37Å; R1238-K1240 VanDerWaalsContact C-N 3.35Å; K1240-L1242 VanDerWaalsContact C-N 3.26Å; K1240-L1242 PolarHBondContact O-N 2.98Å; K1240-L1242 VanDerWaalsContact O-N 3.16Å; K1240-L1243 PolarHBondContact O-N 2.81Å; K1240-L1243 VanDerWaalsContact O-N 3.14Å; K1240-D1244 WeakPolarHBondContact O-CA 3.48Å; K1240-D1244 WeakPolarHBondContact O-CB 3.4Å; K1240-D1244 PolarHBondContact O-N 3.42Å
1241T80.9Confident79Confident81 Ų8156.4 Ų56.450%0.49730%0.299SS..Hα-helixtrans-59-30.2-179.9-40.60000114.7N1237 R1238N1237-T1241 PolarHBondContact O-N 3.15Å; N1237-T1241 PolarHBondContact O-OG1 2.98Å; R1238-T1241 PolarHBondContact O-N 2.8Å
1242L75.8Confident78.6Confident16 Ų1657.3 Ų57.38%0.08430%0.301CS..Hα-helixtrans-84.7-23179.4-74.4172.4000113.7I1171 F1175 R1238 L1239 K1240I1171-L1242 HydrophobicContact CG2-CB 4.48Å; F1175-L1242 HydrophobicContact CB-CD1 4.09Å; F1175-L1242 HydrophobicContact CD2-CD1 3.92Å; F1175-L1242 HydrophobicContact CG-CD1 4.49Å; R1238-L1242 HydrophobicContact CG-CD1 3.92Å; R1238-L1242 HydrophobicContact CG-CG 4.26Å; R1238-L1242 WeakPolarHBondContact O-CB 3.44Å; R1238-L1242 WeakPolarHBondContact O-CG 3.35Å; R1238-L1242 PolarHBondContact O-N 3.09Å; L1239-L1242 PolarHBondContact O-N 3.32Å; K1240-L1242 VanDerWaalsContact C-N 3.26Å; K1240-L1242 PolarHBondContact O-N 2.98Å; K1240-L1242 VanDerWaalsContact O-N 3.16Å
1243L70.7Confident78.1Confident12 Ų1255.2 Ų55.26%0.06329%0.292CS..Hα-helixtrans-89.8-40.9173.4-69.9169.4000111.3L1239 K1240 I1245 F1597 K1601 M1604L1239-L1243 HydrophobicContact CD1-CD1 3.7Å; L1239-L1243 HydrophobicContact CD1-CG 4.14Å; L1239-L1243 HydrophobicContact CG-CD1 4.01Å; L1239-L1243 WeakPolarHBondContact O-CB 3.4Å; L1239-L1243 WeakPolarHBondContact O-CG 3.41Å; L1239-L1243 PolarHBondContact O-N 3.14Å; L1239-L1243 VanDerWaalsContact O-N 3.13Å; K1240-L1243 PolarHBondContact O-N 2.81Å; K1240-L1243 VanDerWaalsContact O-N 3.14Å; L1243-I1245 VanDerWaalsContact C-N 3.3Å; L1243-I1245 PolarHBondContact O-N 3.45Å; L1243-F1597 HydrophobicContact CB-CZ 4.32Å; L1243-F1597 HydrophobicContact CD2-CE1 4.42Å; L1243-F1597 HydrophobicContact CD2-CE2 3.92Å; L1243-F1597 HydrophobicContact CD2-CZ 3.7Å; L1243-K1601 HydrophobicContact CD1-CB 3.97Å; L1243-K1601 HydrophobicContact CD1-CD 3.87Å; L1243-K1601 HydrophobicContact CD1-CG 3.62Å; L1243-M1604 HydrophobicContact CD1-CE 4.4Å; L1243-M1604 HydrophobicContact CD2-CE 3.7Å; L1243-M1604 HydrophobicContact CG-CE 4.15Å
1244D62.2Low77.5Confident105 Ų10550.2 Ų50.256%0.56127%0.269SS*.  trans-9350.1174.8-57.7-49000110.8K1240 P1246K1240-D1244 WeakPolarHBondContact O-CA 3.48Å; K1240-D1244 WeakPolarHBondContact O-CB 3.4Å; K1240-D1244 PolarHBondContact O-N 3.42Å; D1244-P1246 WeakPolarHBondContact O-CD 3.39Å
1245I64.7Low77.2Confident69 Ų6949.3 Ų49.335%0.35426%0.259SS..SBendtrans-61.7113149.5-61.4174.2000104.1L1243 G1247 W1248L1243-I1245 VanDerWaalsContact C-N 3.3Å; L1243-I1245 PolarHBondContact O-N 3.45Å; I1245-G1247 PolarHBondContact O-N 2.97Å; I1245-G1247 VanDerWaalsContact O-N 3.11Å; I1245-W1248 HydrophobicContact CB-CB 4.2Å; I1245-W1248 HydrophobicContact CG2-CB 4.13Å; I1245-W1248 PolarHBondContact O-N 3.3Å
1246P55.7Low76.9Confident110 Ų11049.2 Ų49.271%0.71426%0.259SS*.THydrogen-bonded Turntrans-56.1120-153.317.5-31.7000111.4D1244 W1248D1244-P1246 WeakPolarHBondContact O-CD 3.39Å; P1246-W1248 VanDerWaalsContact C-N 3.25Å; P1246-W1248 PolarHBondContact O-N 3.01Å; P1246-W1248 VanDerWaalsContact O-N 3.16Å
1247G65.3Low76.7Confident27 Ų2745.5 Ų45.528%0.27824%0.241SC..THydrogen-bonded Turntrans75.9-18.3-179.700000116.8I1245 F1249 T1250 D1251I1245-G1247 PolarHBondContact O-N 2.97Å; I1245-G1247 VanDerWaalsContact O-N 3.11Å; G1247-F1249 PolarHBondContact O-N 3.04Å; G1247-F1249 VanDerWaalsContact O-N 3.08Å; G1247-T1250 WeakPolarHBondContact CA-OG1 3.32Å; G1247-T1250 CarbonylContact O-C 3.55Å; G1247-T1250 WeakPolarHBondContact O-CA 3.41Å; G1247-T1250 PolarHBondContact O-N 3.05Å; G1247-T1250 PolarHBondContact O-OG1 3.39Å; G1247-D1251 PolarHBondContact O-N 2.94Å
1248W77.6Confident76.6Confident48 Ų4842.6 Ų42.618%0.18223%0.226CC..Hα-helixtrans-51.6-48.3-160-176.998.8000115.2I1164 H1167 I1245 P1246 D1251 K1252I1164-W1248 HydrophobicContact CG1-CH2 4.39Å; H1167-W1248 HydrophobicContact CB-CH2 3.8Å; H1167-W1248 HydrophobicContact CB-CZ2 3.88Å; H1167-W1248 AromaticContact CE1-CD2 3.72Å; H1167-W1248 AromaticContact CE1-CE2 3.5Å; H1167-W1248 VanDerWaalsContact CE1-CE2 3.5Å; H1167-W1248 AromaticContact CE1-CE3 3.96Å; H1167-W1248 AromaticContact CE1-CH2 3.96Å; H1167-W1248 AromaticContact CE1-CZ2 3.66Å; H1167-W1248 AromaticContact CE1-NE1 3.89Å; H1167-W1248 AromaticContact CG-CH2 3.63Å; H1167-W1248 AromaticContact CG-CZ2 3.46Å; H1167-W1248 VanDerWaalsContact CG-CZ2 3.46Å; H1167-W1248 AromaticContact ND1-CD2 3.91Å; H1167-W1248 AromaticContact ND1-CE2 3.56Å; H1167-W1248 AromaticContact ND1-CE3 3.8Å; H1167-W1248 AromaticContact ND1-CH2 3.17Å; H1167-W1248 WeakPolarHBondContact ND1-CH2 3.48Å; H1167-W1248 AromaticContact ND1-CZ2 3.21Å; H1167-W1248 WeakPolarHBondContact ND1-CZ2 3.46Å; H1167-W1248 AromaticContact ND1-CZ3 3.47Å; H1167-W1248 WeakPolarHBondContact ND1-CZ3 3.27Å; H1167-W1248 AromaticContact NE2-CE2 3.98Å; I1245-W1248 HydrophobicContact CB-CB 4.2Å; I1245-W1248 HydrophobicContact CG2-CB 4.13Å; I1245-W1248 PolarHBondContact O-N 3.3Å; P1246-W1248 VanDerWaalsContact C-N 3.25Å; P1246-W1248 PolarHBondContact O-N 3.01Å; P1246-W1248 VanDerWaalsContact O-N 3.16Å; W1248-D1251 PolarHBondContact O-N 3.32Å; W1248-K1252 HydrophobicContact CD2-CG 4.27Å; W1248-K1252 HydrophobicContact CE3-CG 4.36Å; W1248-K1252 HydrophobicContact CH2-CG 4.01Å; W1248-K1252 HydrophobicContact CZ2-CG 3.95Å; W1248-K1252 HydrophobicContact CZ3-CG 4.23Å; W1248-K1252 WeakPolarHBondContact O-CG 3.27Å; W1248-K1252 PolarHBondContact O-N 3.4Å; W1248-K1252 VanDerWaalsContact O-N 3.1Å
1249F77.2Confident76.7Confident21 Ų2138.5 Ų38.59%0.09221%0.211CC..Hα-helixtrans-70.6-44.1179.8178.6-97.2000111.6G1247 D1251 K1252 Q1253 Q1594 F1597G1247-F1249 PolarHBondContact O-N 3.04Å; G1247-F1249 VanDerWaalsContact O-N 3.08Å; F1249-D1251 VanDerWaalsContact C-N 3.25Å; F1249-D1251 PolarHBondContact O-N 2.86Å; F1249-K1252 PolarHBondContact O-N 3.46Å; F1249-K1252 VanDerWaalsContact O-N 3.17Å; F1249-Q1253 PolarHBondContact O-N 2.9Å; F1249-Q1594 HydrophobicContact CE1-CG 4.39Å; F1249-Q1594 HydrophobicContact CZ-CG 4.47Å; F1249-F1597 HydrophobicContact CB-CD2 4.36Å; F1249-F1597 HydrophobicContact CB-CE2 3.93Å; F1249-F1597 HydrophobicContact CB-CZ 4.04Å; F1249-F1597 HydrophobicContact CD1-CD1 4.09Å; F1249-F1597 HydrophobicContact CD1-CD2 4.38Å; F1249-F1597 HydrophobicContact CD1-CE1 4.29Å; F1249-F1597 HydrophobicContact CD1-CG 4.12Å; F1249-F1597 HydrophobicContact CD2-CB 4.24Å; F1249-F1597 AromaticContact CD2-CD2 3.51Å; F1249-F1597 HydrophobicContact CD2-CD2 3.51Å; F1249-F1597 AromaticContact CD2-CE2 3.94Å; F1249-F1597 HydrophobicContact CD2-CE2 3.94Å; F1249-F1597 AromaticContact CD2-CG 3.88Å; F1249-F1597 HydrophobicContact CD2-CG 3.88Å; F1249-F1597 HydrophobicContact CE1-CB 4.14Å; F1249-F1597 HydrophobicContact CE1-CD1 4.21Å; F1249-F1597 HydrophobicContact CE1-CG 4.1Å; F1249-F1597 HydrophobicContact CE2-CB 3.69Å; F1249-F1597 AromaticContact CE2-CD2 3.85Å; F1249-F1597 HydrophobicContact CE2-CD2 3.85Å; F1249-F1597 AromaticContact CE2-CG 3.85Å; F1249-F1597 HydrophobicContact CE2-CG 3.85Å; F1249-F1597 HydrophobicContact CG-CD1 4.3Å; F1249-F1597 AromaticContact CG-CD2 3.81Å; F1249-F1597 HydrophobicContact CG-CD2 3.81Å; F1249-F1597 HydrophobicContact CG-CE1 4.35Å; F1249-F1597 AromaticContact CG-CE2 3.88Å; F1249-F1597 HydrophobicContact CG-CE2 3.88Å; F1249-F1597 HydrophobicContact CG-CG 4.02Å; F1249-F1597 HydrophobicContact CG-CZ 4.15Å; F1249-F1597 HydrophobicContact CZ-CB 3.63Å; F1249-F1597 HydrophobicContact CZ-CD2 4.41Å; F1249-F1597 AromaticContact CZ-CG 3.96Å; F1249-F1597 HydrophobicContact CZ-CG 3.96Å
1250T76.1Confident76.9Confident70 Ų7038.3 Ų38.343%0.42921%0.21SC..Hα-helixtrans-62.3-32.7174.841.80000112.1G1247 Q1253 I1254G1247-T1250 WeakPolarHBondContact CA-OG1 3.32Å; G1247-T1250 CarbonylContact O-C 3.55Å; G1247-T1250 WeakPolarHBondContact O-CA 3.41Å; G1247-T1250 PolarHBondContact O-N 3.05Å; G1247-T1250 PolarHBondContact O-OG1 3.39Å; T1250-Q1253 PolarHBondContact O-N 2.93Å; T1250-I1254 WeakPolarHBondContact O-CB 3.41Å; T1250-I1254 WeakPolarHBondContact O-CG1 3.46Å; T1250-I1254 PolarHBondContact O-N 3.42Å
1251D79.3Confident77.2Confident27 Ų2733.3 Ų33.314%0.14419%0.188CC..Hα-helixtrans-67.5-43.2174.2-60.5-23000110.8G1247 W1248 F1249 Q1253 I1254 L1255 L1319G1247-D1251 PolarHBondContact O-N 2.94Å; W1248-D1251 PolarHBondContact O-N 3.32Å; F1249-D1251 VanDerWaalsContact C-N 3.25Å; F1249-D1251 PolarHBondContact O-N 2.86Å; D1251-Q1253 VanDerWaalsContact C-N 3.28Å; D1251-Q1253 PolarHBondContact O-N 3Å; D1251-I1254 PolarHBondContact O-N 2.86Å; D1251-L1255 WeakPolarHBondContact O-CB 3.41Å; D1251-L1255 WeakPolarHBondContact O-CG 3.41Å; D1251-L1255 PolarHBondContact O-N 3.09Å; D1251-L1319 HydrophobicContact CB-CD2 3.88Å
1252K81.4Confident77.4Confident45 Ų4530 Ų3020%0.19617%0.169CC..Hα-helixtrans-66-35.2176-57.7-32.1170.4-142.30111I1164 W1248 F1249 L1255 L1256I1164-K1252 HydrophobicContact CD1-CB 4.07Å; I1164-K1252 HydrophobicContact CG1-CB 4.15Å; I1164-K1252 HydrophobicContact CG1-CG 4.29Å; W1248-K1252 HydrophobicContact CD2-CG 4.27Å; W1248-K1252 HydrophobicContact CE3-CG 4.36Å; W1248-K1252 HydrophobicContact CH2-CG 4.01Å; W1248-K1252 HydrophobicContact CZ2-CG 3.95Å; W1248-K1252 HydrophobicContact CZ3-CG 4.23Å; W1248-K1252 WeakPolarHBondContact O-CG 3.27Å; W1248-K1252 PolarHBondContact O-N 3.4Å; W1248-K1252 VanDerWaalsContact O-N 3.1Å; F1249-K1252 PolarHBondContact O-N 3.46Å; F1249-K1252 VanDerWaalsContact O-N 3.17Å; K1252-L1255 HydrophobicContact CD-CD1 4.1Å; K1252-L1256 WeakPolarHBondContact O-CB 3.29Å; K1252-L1256 PolarHBondContact O-N 3.23Å
1253Q79.5Confident77.9Confident14 Ų1429.4 Ų29.47%0.06517%0.165CC..Hα-helixtrans-65.3-44.6172.4-166.7176.5-15.700111.9F1249 T1250 D1251 L1256 I1257 L1590F1249-Q1253 PolarHBondContact O-N 2.9Å; T1250-Q1253 PolarHBondContact O-N 2.93Å; D1251-Q1253 VanDerWaalsContact C-N 3.28Å; D1251-Q1253 PolarHBondContact O-N 3Å; Q1253-L1256 PolarHBondContact O-N 3.49Å; Q1253-I1257 HydrophobicContact CG-CD1 4.13Å; Q1253-I1257 VanDerWaalsContact O-CG1 3.27Å; Q1253-I1257 WeakPolarHBondContact O-CG1 3.28Å; Q1253-I1257 PolarHBondContact O-N 2.95Å; Q1253-L1590 HydrophobicContact CG-CD2 3.69Å
1254I79.5Confident78.7Confident17 Ų1728.8 Ų28.89%0.08716%0.162CC..Hα-helixtrans-64.3-43.3176.6-73.8165.2000111.3T1250 D1251 L1256 I1257 N1258 I1317 L1319T1250-I1254 WeakPolarHBondContact O-CB 3.41Å; T1250-I1254 WeakPolarHBondContact O-CG1 3.46Å; T1250-I1254 PolarHBondContact O-N 3.42Å; D1251-I1254 PolarHBondContact O-N 2.86Å; I1254-L1256 VanDerWaalsContact C-N 3.32Å; I1254-L1256 PolarHBondContact O-N 3.46Å; I1254-I1257 PolarHBondContact O-N 3.48Å; I1254-N1258 WeakPolarHBondContact O-CB 3.44Å; I1254-N1258 VanDerWaalsContact O-CG 3.31Å; I1254-N1258 PolarHBondContact O-N 3.41Å; I1254-I1317 HydrophobicContact CD1-CG2 4.3Å; I1254-I1317 HydrophobicContact CG1-CG2 4.07Å; I1254-I1317 HydrophobicContact CG2-CB 4.11Å; I1254-I1317 HydrophobicContact CG2-CG2 3.95Å; I1254-L1319 HydrophobicContact CB-CD2 4.12Å; I1254-L1319 HydrophobicContact CD1-CD2 4.4Å; I1254-L1319 HydrophobicContact CG2-CD2 3.75Å; I1254-L1319 HydrophobicContact CG2-CG 4.25Å
1255L82.5Confident79.8Confident16 Ų1624.5 Ų24.58%0.08414%0.139CC..Hα-helixtrans-61.8-39.7175.2-71169.8000111.7L1160 D1251 K1252 S1259 I1370 F1374L1160-L1255 HydrophobicContact CD1-CB 4.11Å; L1160-L1255 HydrophobicContact CD2-CB 4.22Å; L1160-L1255 HydrophobicContact CD2-CD1 4.35Å; D1251-L1255 WeakPolarHBondContact O-CB 3.41Å; D1251-L1255 WeakPolarHBondContact O-CG 3.41Å; D1251-L1255 PolarHBondContact O-N 3.09Å; K1252-L1255 HydrophobicContact CD-CD1 4.1Å; L1255-S1259 PolarHBondContact O-N 3.14Å; L1255-S1259 PolarHBondContact O-OG 3.15Å; L1255-I1370 HydrophobicContact CD2-CG2 4.01Å; L1255-F1374 HydrophobicContact CD2-CE2 3.46Å; L1255-F1374 VanDerWaalsContact CD2-CE2 3.46Å; L1255-F1374 HydrophobicContact CD2-CZ 3.57Å
1256L83.9Confident80.8Confident0 Ų021.6 Ų21.60%012%0.124CC..Hα-helixtrans-69.6-41.6175.8-17561.8000111.9I1157 L1160 K1252 Q1253 I1254 S1259 Y1260 V1589 L1590 L1593I1157-L1256 HydrophobicContact CG1-CD1 4.21Å; I1157-L1256 HydrophobicContact CG2-CD1 4.09Å; L1160-L1256 HydrophobicContact CD1-CB 4.41Å; L1160-L1256 HydrophobicContact CD1-CD1 4.48Å; K1252-L1256 WeakPolarHBondContact O-CB 3.29Å; K1252-L1256 PolarHBondContact O-N 3.23Å; Q1253-L1256 PolarHBondContact O-N 3.49Å; I1254-L1256 VanDerWaalsContact C-N 3.32Å; I1254-L1256 PolarHBondContact O-N 3.46Å; L1256-S1259 WeakPolarHBondContact O-CB 3.39Å; L1256-S1259 PolarHBondContact O-N 2.87Å; L1256-Y1260 HydrophobicContact CD1-CD2 4.24Å; L1256-Y1260 HydrophobicContact CD1-CE2 3.7Å; L1256-Y1260 HydrophobicContact CD2-CE2 4.39Å; L1256-Y1260 HydrophobicContact CG-CD2 4.14Å; L1256-Y1260 HydrophobicContact CG-CE2 3.79Å; L1256-Y1260 WeakPolarHBondContact O-CD2 3.3Å; L1256-Y1260 PolarHBondContact O-N 3.27Å; L1256-Y1260 VanDerWaalsContact O-N 3.09Å; L1256-V1589 HydrophobicContact CD2-CG1 4.07Å; L1256-L1590 HydrophobicContact CB-CD2 4.49Å; L1256-L1590 HydrophobicContact CD2-CD2 4Å; L1256-L1590 HydrophobicContact CG-CD2 4.31Å; L1256-L1593 HydrophobicContact CD2-CD1 3.42Å; L1256-L1593 VanDerWaalsContact CD2-CD1 3.42Å
1257I83.5Confident82.4Confident0 Ų016.3 Ų16.30%09%0.09CC..Hα-helixtrans-60.3-48.7172.8-67.5159.8000110.2Q1253 I1254 S1259 Y1260 L1261 I1317 S1457 L1590Q1253-I1257 HydrophobicContact CG-CD1 4.13Å; Q1253-I1257 VanDerWaalsContact O-CG1 3.27Å; Q1253-I1257 WeakPolarHBondContact O-CG1 3.28Å; Q1253-I1257 PolarHBondContact O-N 2.95Å; I1254-I1257 PolarHBondContact O-N 3.48Å; I1257-S1259 PolarHBondContact O-N 3.16Å; I1257-Y1260 CarbonylContact O-C 3.6Å; I1257-Y1260 PolarHBondContact O-N 3.37Å; I1257-L1261 HydrophobicContact CG2-CD1 3.88Å; I1257-L1261 HydrophobicContact CG2-CG 4.12Å; I1257-L1261 WeakPolarHBondContact O-CG 3.48Å; I1257-L1261 PolarHBondContact O-N 3.06Å; I1257-I1317 HydrophobicContact CB-CD1 4.29Å; I1257-I1317 HydrophobicContact CD1-CD1 4.22Å; I1257-I1317 HydrophobicContact CG2-CD1 3.6Å; I1257-I1317 HydrophobicContact CG2-CG1 4.45Å; I1257-S1457 VanDerWaalsContact CD1-CB 3.42Å; I1257-L1590 HydrophobicContact CD1-CD1 4.36Å; I1257-L1590 HydrophobicContact CD1-CD2 4.3Å; I1257-L1590 HydrophobicContact CG1-CD1 3.61Å; I1257-L1590 HydrophobicContact CG1-CD2 3.74Å; I1257-L1590 HydrophobicContact CG1-CG 4.35Å
1258N85.5Confident83.4Confident11 Ų1115 Ų156%0.0598%0.076CC..Hα-helixtrans-58.9-35.3177.1-74.8-16000111.6I1254 L1261 S1262 L1316 I1317I1254-N1258 WeakPolarHBondContact O-CB 3.44Å; I1254-N1258 VanDerWaalsContact O-CG 3.31Å; I1254-N1258 PolarHBondContact O-N 3.41Å; N1258-L1261 PolarHBondContact O-N 3.34Å; N1258-S1262 PolarHBondContact O-N 3.36Å; N1258-S1262 PolarHBondContact O-OG 2.86Å; N1258-L1316 HydrophobicContact CB-CD2 4.21Å; N1258-I1317 PolarHBondContact ND2-O 3.31Å; N1258-I1317 PolarHBondContact OD1-N 3.34Å
1259S86.5Confident83.8Confident7 Ų714.3 Ų14.35%0.0498%0.077CC..Hα-helixtrans-62.3-45.3172.4-54.70000112.3L1255 L1256 I1257 S1262 L1263L1255-S1259 PolarHBondContact O-N 3.14Å; L1255-S1259 PolarHBondContact O-OG 3.15Å; L1256-S1259 WeakPolarHBondContact O-CB 3.39Å; L1256-S1259 PolarHBondContact O-N 2.87Å; I1257-S1259 PolarHBondContact O-N 3.16Å; S1259-S1262 PolarHBondContact O-N 3.39Å; S1259-L1263 PolarHBondContact O-N 3.42Å; S1259-L1263 VanDerWaalsContact O-N 3.07Å
1260Y87.7Confident84.3Confident4 Ų413.7 Ų13.72%0.0167%0.074CC..Hα-helixtrans-68.5-33.2175.1-74.3-68.2000113.2I1157 L1256 I1257 L1263 L1264 I1582I1157-Y1260 HydrophobicContact CD1-CD1 4.46Å; I1157-Y1260 HydrophobicContact CD1-CE1 4.19Å; L1256-Y1260 HydrophobicContact CD1-CD2 4.24Å; L1256-Y1260 HydrophobicContact CD1-CE2 3.7Å; L1256-Y1260 HydrophobicContact CD2-CE2 4.39Å; L1256-Y1260 HydrophobicContact CG-CD2 4.14Å; L1256-Y1260 HydrophobicContact CG-CE2 3.79Å; L1256-Y1260 WeakPolarHBondContact O-CD2 3.3Å; L1256-Y1260 PolarHBondContact O-N 3.27Å; L1256-Y1260 VanDerWaalsContact O-N 3.09Å; I1257-Y1260 CarbonylContact O-C 3.6Å; I1257-Y1260 PolarHBondContact O-N 3.37Å; Y1260-L1263 HydrophobicContact CD1-CD1 3.99Å; Y1260-L1263 HydrophobicContact CE1-CD1 4.38Å; Y1260-L1263 PolarHBondContact O-N 3.48Å; Y1260-L1264 PolarHBondContact O-N 3.32Å; Y1260-L1264 VanDerWaalsContact O-N 3.13Å; Y1260-I1582 HydrophobicContact CD1-CG2 4.26Å
1261L85.3Confident84.9Confident0 Ų010.5 Ų10.50%06%0.055CC..Hα-helixtrans-64.6-40.1172.1-67.9173.8000111.4I1257 N1258 L1264 Q1265 I1314 L1316 I1317 F1460 L1461 V1464I1257-L1261 HydrophobicContact CG2-CD1 3.88Å; I1257-L1261 HydrophobicContact CG2-CG 4.12Å; I1257-L1261 WeakPolarHBondContact O-CG 3.48Å; I1257-L1261 PolarHBondContact O-N 3.06Å; N1258-L1261 PolarHBondContact O-N 3.34Å; L1261-L1264 WeakPolarHBondContact O-CB 3.32Å; L1261-L1264 PolarHBondContact O-N 3.39Å; L1261-Q1265 PolarHBondContact O-N 2.77Å; L1261-I1314 HydrophobicContact CB-CG2 4.12Å; L1261-I1314 HydrophobicContact CD2-CG2 4.21Å; L1261-L1316 HydrophobicContact CB-CD2 3.81Å; L1261-L1316 HydrophobicContact CD1-CD2 4.12Å; L1261-I1317 HydrophobicContact CD1-CG1 4.44Å; L1261-F1460 HydrophobicContact CD1-CD1 4.34Å; L1261-F1460 HydrophobicContact CD1-CE1 3.9Å; L1261-L1461 HydrophobicContact CD2-CD1 3.72Å; L1261-L1461 HydrophobicContact CG-CD1 4.23Å; L1261-V1464 HydrophobicContact CD2-CB 3.91Å; L1261-V1464 HydrophobicContact CD2-CG1 3.68Å; L1261-V1464 HydrophobicContact CD2-CG2 4.17Å
1262S85Confident85.2Confident12 Ų129.9 Ų9.98%0.0845%0.051CC..Hα-helixtrans-67.9-31.9174.1-66.80000113I1153 N1258 S1259 Q1265 I1266I1153-S1262 VanDerWaalsContact CD1-CB 3.45Å; N1258-S1262 PolarHBondContact O-N 3.36Å; N1258-S1262 PolarHBondContact O-OG 2.86Å; S1259-S1262 PolarHBondContact O-N 3.39Å; S1262-Q1265 WeakPolarHBondContact O-CB 3.13Å; S1262-Q1265 PolarHBondContact O-N 2.96Å; S1262-I1266 WeakPolarHBondContact O-CG1 3.38Å; S1262-I1266 PolarHBondContact O-N 3.24Å
1263L87.7Confident85.4Confident2 Ų29 Ų91%0.015%0.047CC..Hα-helixtrans-62.7-42.9168.7-70.6176.2000112.2L1150 I1153 F1154 I1157 S1259 Y1260 Q1265 I1266 E1267 I1582L1150-L1263 HydrophobicContact CD2-CD2 3.61Å; I1153-L1263 HydrophobicContact CB-CD2 4.02Å; I1153-L1263 HydrophobicContact CD1-CD2 4.33Å; I1153-L1263 HydrophobicContact CG2-CD1 4.46Å; I1153-L1263 HydrophobicContact CG2-CD2 3.82Å; I1153-L1263 HydrophobicContact CG2-CG 3.82Å; F1154-L1263 HydrophobicContact CD1-CD1 4.47Å; F1154-L1263 HydrophobicContact CD1-CD2 4.29Å; F1154-L1263 HydrophobicContact CE1-CD1 3.9Å; F1154-L1263 HydrophobicContact CE1-CD2 3.75Å; F1154-L1263 HydrophobicContact CZ-CD2 4.29Å; I1157-L1263 HydrophobicContact CD1-CD1 3.85Å; S1259-L1263 PolarHBondContact O-N 3.42Å; S1259-L1263 VanDerWaalsContact O-N 3.07Å; Y1260-L1263 HydrophobicContact CD1-CD1 3.99Å; Y1260-L1263 HydrophobicContact CE1-CD1 4.38Å; Y1260-L1263 PolarHBondContact O-N 3.48Å; L1263-Q1265 VanDerWaalsContact C-N 3.27Å; L1263-Q1265 PolarHBondContact O-N 2.82Å; L1263-I1266 PolarHBondContact O-N 3.39Å; L1263-E1267 PolarHBondContact O-N 2.96Å; L1263-I1582 HydrophobicContact CB-CD1 4.15Å; L1263-I1582 HydrophobicContact CB-CG2 4.04Å
1264L87.1Confident85.8Confident0 Ų08.4 Ų8.40%04%0.044CC..Hα-helixtrans-61.7-35.8173.5-68.3174.7000111.6Y1260 L1261 L1268 I1314 L1461 F1579 I1582Y1260-L1264 PolarHBondContact O-N 3.32Å; Y1260-L1264 VanDerWaalsContact O-N 3.13Å; L1261-L1264 WeakPolarHBondContact O-CB 3.32Å; L1261-L1264 PolarHBondContact O-N 3.39Å; L1264-L1268 WeakPolarHBondContact O-CB 3.29Å; L1264-L1268 PolarHBondContact O-N 3.31Å; L1264-I1314 HydrophobicContact CB-CD1 3.54Å; L1264-L1461 HydrophobicContact CD1-CD1 4.18Å; L1264-F1579 HydrophobicContact CD2-CB 4Å; L1264-F1579 HydrophobicContact CD2-CD1 3.72Å; L1264-F1579 HydrophobicContact CD2-CE1 4.37Å; L1264-F1579 HydrophobicContact CD2-CG 3.87Å; L1264-F1579 WeakPolarHBondContact O-CE1 3.25Å; L1264-I1582 HydrophobicContact CD2-CB 3.89Å; L1264-I1582 HydrophobicContact CD2-CD1 4.17Å; L1264-I1582 HydrophobicContact CD2-CG2 3.77Å; L1264-I1582 HydrophobicContact CG-CG2 3.84Å
1265Q84.8Confident86.2Confident14 Ų148.5 Ų8.57%0.0655%0.048CC..Hα-helixtrans-66.9-42.6177-179.560.85800111.6L1261 S1262 L1263 L1268 T1269 T1312 R1313 I1314 F1381L1261-Q1265 PolarHBondContact O-N 2.77Å; S1262-Q1265 WeakPolarHBondContact O-CB 3.13Å; S1262-Q1265 PolarHBondContact O-N 2.96Å; L1263-Q1265 VanDerWaalsContact C-N 3.27Å; L1263-Q1265 PolarHBondContact O-N 2.82Å; Q1265-L1268 WeakPolarHBondContact O-CB 3.41Å; Q1265-L1268 PolarHBondContact O-N 3.47Å; Q1265-T1269 PolarHBondContact NE2-OG1 3.44Å; Q1265-T1269 WeakPolarHBondContact O-CB 3.4Å; Q1265-T1269 PolarHBondContact O-N 2.82Å; Q1265-T1269 PolarHBondContact O-OG1 3.08Å; Q1265-T1312 PolarHBondContact NE2-O 2.74Å; Q1265-R1313 VanDerWaalsContact OE1-CA 3.3Å; Q1265-I1314 HydrophobicContact CB-CB 4.48Å; Q1265-I1314 HydrophobicContact CB-CD1 4Å; Q1265-I1314 HydrophobicContact CB-CG1 4.37Å; Q1265-I1314 VanDerWaalsContact N-CD1 3.34Å; Q1265-F1381 HydrophobicContact CG-CE1 4.07Å
1266I86.2Confident86.3Confident8 Ų810.6 Ų10.64%0.0416%0.057CC..Hα-helixtrans-61.5-46179.3-71.6173.9000110.9Y1146 N1149 L1150 I1153 S1262 L1263 L1268 T1269 R1270Y1146-I1266 HydrophobicContact CD2-CG2 3.31Å; Y1146-I1266 HydrophobicContact CE2-CG2 3.6Å; Y1146-I1266 HydrophobicContact CG-CG2 4.46Å; N1149-I1266 HydrophobicContact CB-CD1 3.57Å; N1149-I1266 HydrophobicContact CB-CG1 4.22Å; L1150-I1266 HydrophobicContact CD2-CD1 4.33Å; L1150-I1266 HydrophobicContact CD2-CG2 3.98Å; L1150-I1266 HydrophobicContact CG-CG2 4.18Å; I1153-I1266 HydrophobicContact CD1-CD1 3.45Å; I1153-I1266 VanDerWaalsContact CD1-CD1 3.45Å; I1153-I1266 HydrophobicContact CD1-CG1 4.45Å; I1153-I1266 HydrophobicContact CG1-CD1 4.38Å; S1262-I1266 WeakPolarHBondContact O-CG1 3.38Å; S1262-I1266 PolarHBondContact O-N 3.24Å; L1263-I1266 PolarHBondContact O-N 3.39Å; I1266-L1268 VanDerWaalsContact C-N 3.34Å; I1266-L1268 PolarHBondContact O-N 3.5Å; I1266-T1269 PolarHBondContact O-N 2.75Å; I1266-R1270 WeakPolarHBondContact O-CB 3.44Å; I1266-R1270 PolarHBondContact O-N 3.15Å
1267E88.4Confident86.4Confident0 Ų010.6 Ų10.60%06%0.057CC..Hα-helixtrans-68.2-31.4176.4-69.3-66.6157.200112.6Y512 Y1146 L1263 F1271 T1575 R1578 F1579 I1582Y512-E1267 VanDerWaalsContact CE1-OE1 3.26Å; Y512-E1267 WeakPolarHBondContact CE1-OE1 3.24Å; Y512-E1267 WeakPolarHBondContact OH-CG 3.48Å; Y512-E1267 PolarHBondContact OH-OE1 3.02Å; Y1146-E1267 WeakPolarHBondContact CE2-OE1 3.43Å; Y1146-E1267 PolarHBondContact OH-OE1 3.01Å; L1263-E1267 PolarHBondContact O-N 2.96Å; E1267-F1271 WeakPolarHBondContact O-CB 3.31Å; E1267-F1271 PolarHBondContact O-N 3.02Å; E1267-T1575 HydrophobicContact CB-CG2 4.43Å; E1267-R1578 VanDerWaalsContact CD-NH1 3.32Å; E1267-R1578 HydrophobicContact CG-CB 4.5Å; E1267-R1578 IonicContact OE1-CZ 2.61Å; E1267-R1578 IonicContact OE1-NE 3.45Å; E1267-R1578 IonicContact OE1-NH1 3.17Å; E1267-R1578 PolarHBondContact OE1-NH1 3.36Å; E1267-R1578 WeakPolarHBondContact OE2-CD 3.41Å; E1267-R1578 IonicContact OE2-CZ 2.66Å; E1267-R1578 IonicContact OE2-NE 3.19Å; E1267-R1578 IonicContact OE2-NH1 3.21Å; E1267-R1578 PolarHBondContact OE2-NH1 2.85Å; E1267-F1579 HydrophobicContact CB-CD1 4.02Å; E1267-F1579 HydrophobicContact CB-CE1 3.67Å; E1267-I1582 HydrophobicContact CG-CD1 3.93Å
1268L86.2Confident86.6Confident0 Ų010.6 Ų10.60%06%0.057CC..Hα-helixtrans-66.6-46.3172.9-17558.4000111.7L1264 Q1265 I1266 F1271 Q1272 I1314 I1471 I1472 F1579L1264-L1268 WeakPolarHBondContact O-CB 3.29Å; L1264-L1268 PolarHBondContact O-N 3.31Å; Q1265-L1268 WeakPolarHBondContact O-CB 3.41Å; Q1265-L1268 PolarHBondContact O-N 3.47Å; I1266-L1268 VanDerWaalsContact C-N 3.34Å; I1266-L1268 PolarHBondContact O-N 3.5Å; L1268-F1271 PolarHBondContact O-N 3.44Å; L1268-Q1272 WeakPolarHBondContact O-CG 3.35Å; L1268-Q1272 PolarHBondContact O-N 3.38Å; L1268-I1314 HydrophobicContact CD2-CG1 4.49Å; L1268-I1471 HydrophobicContact CD1-CG2 4.48Å; L1268-I1472 HydrophobicContact CD1-CD1 4.22Å; L1268-I1472 HydrophobicContact CD1-CG1 3.84Å; L1268-F1579 HydrophobicContact CB-CE1 4.37Å; L1268-F1579 HydrophobicContact CB-CZ 3.87Å; L1268-F1579 HydrophobicContact CD1-CZ 4.11Å
1269T85.6Confident86.6Confident33 Ų3312.5 Ų12.520%0.2027%0.065CC..Hα-helixtrans-62.9-47.6177.1-69.60000110.5Q1265 I1266 F1271 Q1272 E1273Q1265-T1269 PolarHBondContact NE2-OG1 3.44Å; Q1265-T1269 WeakPolarHBondContact O-CB 3.4Å; Q1265-T1269 PolarHBondContact O-N 2.82Å; Q1265-T1269 PolarHBondContact O-OG1 3.08Å; I1266-T1269 PolarHBondContact O-N 2.75Å; T1269-F1271 VanDerWaalsContact C-N 3.29Å; T1269-F1271 PolarHBondContact O-N 3.27Å; T1269-Q1272 PolarHBondContact O-N 2.95Å; T1269-E1273 HydrophobicContact CG2-CG 4.27Å; T1269-E1273 VanDerWaalsContact CG2-OE1 3.28Å; T1269-E1273 WeakPolarHBondContact CG2-OE1 3.35Å; T1269-E1273 WeakPolarHBondContact O-CG 3.07Å; T1269-E1273 PolarHBondContact O-N 2.86Å
1270R88Confident86.6Confident8 Ų814.5 Ų14.53%0.038%0.075CC..Hα-helixtrans-58.5-38.6175.4-176176.8-176.6-67.6-13.6112.5E1143 Y1146 I1266 N1274 E1571E1143-R1270 IonicContact OE2-CZ 3.17Å; E1143-R1270 IonicContact OE2-NE 2.72Å; E1143-R1270 PolarHBondContact OE2-NE 2.87Å; E1143-R1270 IonicContact OE2-NH2 3.59Å; E1143-R1270 PolarHBondContact OE2-NH2 3.42Å; Y1146-R1270 HydrophobicContact CD2-CB 4.01Å; Y1146-R1270 VanDerWaalsContact CD2-CD 3.46Å; Y1146-R1270 HydrophobicContact CD2-CG 4.22Å; Y1146-R1270 HydrophobicContact CE2-CB 4.31Å; Y1146-R1270 HydrophobicContact CE2-CG 4.44Å; Y1146-R1270 HydrophobicContact CG-CG 4.49Å; I1266-R1270 WeakPolarHBondContact O-CB 3.44Å; I1266-R1270 PolarHBondContact O-N 3.15Å; R1270-N1274 VanDerWaalsContact CZ-ND2 3.29Å; R1270-N1274 PolarHBondContact NH1-ND2 2.94Å; R1270-N1274 PolarHBondContact NH2-ND2 2.92Å; R1270-N1274 VanDerWaalsContact O-CB 3.27Å; R1270-N1274 WeakPolarHBondContact O-CB 3.26Å; R1270-N1274 PolarHBondContact O-N 3.3Å; R1270-E1571 IonicContact CZ-OE1 3.66Å; R1270-E1571 IonicContact NH1-OE1 3.96Å; R1270-E1571 PolarHBondContact NH1-OE1 2.91Å
1271F88.6Confident86.5Confident3 Ų314.3 Ų14.31%0.0138%0.075CC..Hα-helixtrans-62.8-43.2172.9170.8-100.9000112E1267 L1268 T1269 A1275 I1472 Q1475 V1476 E1571 A1572 T1575E1267-F1271 WeakPolarHBondContact O-CB 3.31Å; E1267-F1271 PolarHBondContact O-N 3.02Å; L1268-F1271 PolarHBondContact O-N 3.44Å; T1269-F1271 VanDerWaalsContact C-N 3.29Å; T1269-F1271 PolarHBondContact O-N 3.27Å; F1271-A1275 WeakPolarHBondContact O-CB 3.34Å; F1271-A1275 PolarHBondContact O-N 2.96Å; F1271-I1472 HydrophobicContact CD1-CD1 4.4Å; F1271-I1472 HydrophobicContact CD1-CG1 3.92Å; F1271-I1472 HydrophobicContact CD1-CG2 4.36Å; F1271-I1472 HydrophobicContact CE1-CB 4.29Å; F1271-I1472 HydrophobicContact CE1-CG1 4.1Å; F1271-I1472 HydrophobicContact CE1-CG2 3.9Å; F1271-I1472 HydrophobicContact CE2-CG2 4.27Å; F1271-I1472 HydrophobicContact CZ-CG2 3.86Å; F1271-Q1475 HydrophobicContact CE1-CB 4.48Å; F1271-V1476 HydrophobicContact CZ-CG2 3.91Å; F1271-E1571 HydrophobicContact CD2-CB 4.4Å; F1271-E1571 HydrophobicContact CD2-CG 4.18Å; F1271-E1571 HydrophobicContact CE2-CB 4.49Å; F1271-A1572 HydrophobicContact CE2-CB 3.8Å; F1271-A1572 HydrophobicContact CZ-CB 4.27Å; F1271-T1575 HydrophobicContact CB-CG2 3.95Å; F1271-T1575 HydrophobicContact CG-CG2 4.5Å
1272Q86.7Confident86.5Confident14 Ų1414.3 Ų14.37%0.0658%0.075CC..Hα-helixtrans-71.2-36-178.4-69175.8-700112.3L1268 T1269 Q1276 Y1311 T1312L1268-Q1272 WeakPolarHBondContact O-CG 3.35Å; L1268-Q1272 PolarHBondContact O-N 3.38Å; T1269-Q1272 PolarHBondContact O-N 2.95Å; Q1272-Q1276 WeakPolarHBondContact O-CB 3.4Å; Q1272-Q1276 PolarHBondContact O-N 3.32Å; Q1272-Y1311 HydrophobicContact CB-CD1 3.73Å; Q1272-Y1311 HydrophobicContact CB-CE1 3.77Å; Q1272-T1312 PolarHBondContact NE2-OG1 2.94Å; Q1272-T1312 PolarHBondContact OE1-OG1 3.04Å
1273E85.5Confident86.4Confident25 Ų2518.4 Ų18.412%0.1179%0.091CC..Hα-helixtrans-66.4-48.4171.4-71166.2166.900111.9F1138 T1142 T1269 A1275 Q1276 L1277 Y1311F1138-E1273 HydrophobicContact CZ-CB 4.46Å; T1142-E1273 HydrophobicContact CG2-CB 4.03Å; T1142-E1273 HydrophobicContact CG2-CG 3.91Å; T1269-E1273 HydrophobicContact CG2-CG 4.27Å; T1269-E1273 VanDerWaalsContact CG2-OE1 3.28Å; T1269-E1273 WeakPolarHBondContact CG2-OE1 3.35Å; T1269-E1273 WeakPolarHBondContact O-CG 3.07Å; T1269-E1273 PolarHBondContact O-N 2.86Å; E1273-A1275 VanDerWaalsContact C-N 3.35Å; E1273-A1275 PolarHBondContact O-N 2.57Å; E1273-Q1276 PolarHBondContact O-N 3.34Å; E1273-L1277 WeakPolarHBondContact O-CB 3.45Å; E1273-L1277 PolarHBondContact O-N 3.34Å; E1273-Y1311 HydrophobicContact CG-CE1 4.39Å
1274N88.6Confident86.1Confident2 Ų220.9 Ų20.91%0.01111%0.106CC..Hα-helixtrans-64.7-37.5176.5-76.3-11.9000112.2L574 R1270 Q1276 L1277 I1278 E1571L574-N1274 HydrophobicContact CD2-CB 4.29Å; R1270-N1274 VanDerWaalsContact CZ-ND2 3.29Å; R1270-N1274 PolarHBondContact NH1-ND2 2.94Å; R1270-N1274 PolarHBondContact NH2-ND2 2.92Å; R1270-N1274 VanDerWaalsContact O-CB 3.27Å; R1270-N1274 WeakPolarHBondContact O-CB 3.26Å; R1270-N1274 PolarHBondContact O-N 3.3Å; N1274-Q1276 VanDerWaalsContact C-N 3.33Å; N1274-L1277 PolarHBondContact O-N 2.95Å; N1274-I1278 WeakPolarHBondContact O-CB 3.46Å; N1274-I1278 WeakPolarHBondContact O-CD1 3.39Å; N1274-I1278 WeakPolarHBondContact O-CG1 3.04Å; N1274-I1278 PolarHBondContact O-N 3.23Å; N1274-E1571 HydrophobicContact CB-CG 4.19Å; N1274-E1571 PolarHBondContact ND2-OE1 3.28Å
1275A86.4Confident85.6Confident19 Ų1921.1 Ų21.116%0.15711%0.107CC..Hα-helixtrans-63.3-39.8174.400000111.7F1271 E1273 K1279 L1568F1271-A1275 WeakPolarHBondContact O-CB 3.34Å; F1271-A1275 PolarHBondContact O-N 2.96Å; E1273-A1275 VanDerWaalsContact C-N 3.35Å; E1273-A1275 PolarHBondContact O-N 2.57Å; A1275-K1279 WeakPolarHBondContact O-CB 3.43Å; A1275-K1279 PolarHBondContact O-N 3.25Å; A1275-L1568 HydrophobicContact CB-CD2 3.65Å
1276Q85.6Confident85Confident60 Ų6021.6 Ų21.628%0.2811%0.109SC..Hα-helixtrans-68.5-43.3175-173.464.621.800112Q1272 E1273 N1274 I1278 K1279 D1280Q1272-Q1276 WeakPolarHBondContact O-CB 3.4Å; Q1272-Q1276 PolarHBondContact O-N 3.32Å; E1273-Q1276 PolarHBondContact O-N 3.34Å; N1274-Q1276 VanDerWaalsContact C-N 3.33Å; Q1276-I1278 PolarHBondContact O-N 2.86Å; Q1276-K1279 WeakPolarHBondContact O-CB 3.48Å; Q1276-K1279 PolarHBondContact O-N 3.23Å; Q1276-D1280 VanDerWaalsContact NE2-CG 3.31Å; Q1276-D1280 PolarHBondContact NE2-OD1 3.39Å; Q1276-D1280 PolarHBondContact NE2-OD2 3.17Å; Q1276-D1280 WeakPolarHBondContact O-CB 3.17Å; Q1276-D1280 PolarHBondContact O-N 2.9Å
1277L86.7Confident83.8Confident1 Ų125.2 Ų25.21%0.00514%0.14CC..Hα-helixtrans-57.4-48.1174.3173.466.2000111.8L574 L1135 F1138 W1139 E1273 N1274 D1280 Y1281L574-L1277 HydrophobicContact CD1-CD2 4.21Å; L1135-L1277 HydrophobicContact CB-CD1 4.11Å; L1135-L1277 HydrophobicContact CD2-CD1 3.98Å; F1138-L1277 HydrophobicContact CD1-CB 4.3Å; F1138-L1277 HydrophobicContact CD1-CD1 4.25Å; F1138-L1277 HydrophobicContact CE1-CB 4.17Å; W1139-L1277 HydrophobicContact CB-CD2 3.83Å; W1139-L1277 HydrophobicContact CG-CD2 3.96Å; E1273-L1277 WeakPolarHBondContact O-CB 3.45Å; E1273-L1277 PolarHBondContact O-N 3.34Å; N1274-L1277 PolarHBondContact O-N 2.95Å; L1277-D1280 PolarHBondContact O-N 2.61Å; L1277-Y1281 VanDerWaalsContact O-CB 3.25Å; L1277-Y1281 WeakPolarHBondContact O-CB 3.41Å; L1277-Y1281 PolarHBondContact O-N 3.1Å
1278I87.5Confident82.2Confident0 Ų030.3 Ų30.30%016%0.159CC..Hα-helixtrans-58.3-50175.3-73.1164.2000109.9L574 N1274 Q1276 D1280 Y1281 Y1282 A1567 L1568L574-I1278 HydrophobicContact CD1-CD1 4.37Å; L574-I1278 HydrophobicContact CD1-CG1 4.07Å; N1274-I1278 WeakPolarHBondContact O-CB 3.46Å; N1274-I1278 WeakPolarHBondContact O-CD1 3.39Å; N1274-I1278 WeakPolarHBondContact O-CG1 3.04Å; N1274-I1278 PolarHBondContact O-N 3.23Å; Q1276-I1278 PolarHBondContact O-N 2.86Å; I1278-D1280 PolarHBondContact O-N 2.79Å; I1278-Y1281 PolarHBondContact O-N 3.18Å; I1278-Y1282 HydrophobicContact CG2-CD2 3.9Å; I1278-Y1282 HydrophobicContact CG2-CE2 4.05Å; I1278-Y1282 WeakPolarHBondContact O-CD2 3.38Å; I1278-Y1282 PolarHBondContact O-N 3.31Å; I1278-Y1282 VanDerWaalsContact O-N 3.11Å; I1278-A1567 HydrophobicContact CD1-CB 4.02Å; I1278-A1567 HydrophobicContact CG1-CB 4.44Å; I1278-A1567 HydrophobicContact CG2-CB 4.08Å; I1278-L1568 HydrophobicContact CB-CD2 4.41Å; I1278-L1568 HydrophobicContact CD1-CD2 4.29Å; I1278-L1568 HydrophobicContact CG2-CD2 4.17Å; I1278-L1568 HydrophobicContact CG2-CG 4.15Å
1279K85.4Confident79.9Confident51 Ų5135.7 Ų35.722%0.22219%0.194CC..Hα-helixtrans-59.6-44.9-178.4-175.5175.2-171.6175.10112.3A1275 Q1276 K1283 E1479A1275-K1279 WeakPolarHBondContact O-CB 3.43Å; A1275-K1279 PolarHBondContact O-N 3.25Å; Q1276-K1279 WeakPolarHBondContact O-CB 3.48Å; Q1276-K1279 PolarHBondContact O-N 3.23Å; K1279-K1283 VanDerWaalsContact O-CG 3.3Å; K1279-K1283 WeakPolarHBondContact O-CG 3.47Å; K1279-K1283 PolarHBondContact O-N 3.4Å; K1279-E1479 WeakPolarHBondContact CE-OE1 3.32Å; K1279-E1479 VanDerWaalsContact CE-OE2 3.32Å; K1279-E1479 WeakPolarHBondContact CE-OE2 3.21Å; K1279-E1479 IonicContact NZ-OE1 3.34Å; K1279-E1479 PolarHBondContact NZ-OE1 3.5Å; K1279-E1479 IonicContact NZ-OE2 3.09Å; K1279-E1479 PolarHBondContact NZ-OE2 2.99Å
1280D85.5Confident77.7Confident48 Ų4842.5 Ų42.526%0.25722%0.223SC..Hα-helixtrans-77.6-36.2-177.8-69.1-18.9000112.7L1135 Q1276 L1277 I1278 Y1282 K1283 V1284L1135-D1280 HydrophobicContact CD2-CB 4.21Å; Q1276-D1280 VanDerWaalsContact NE2-CG 3.31Å; Q1276-D1280 PolarHBondContact NE2-OD1 3.39Å; Q1276-D1280 PolarHBondContact NE2-OD2 3.17Å; Q1276-D1280 WeakPolarHBondContact O-CB 3.17Å; Q1276-D1280 PolarHBondContact O-N 2.9Å; L1277-D1280 PolarHBondContact O-N 2.61Å; I1278-D1280 PolarHBondContact O-N 2.79Å; D1280-Y1282 PolarHBondContact O-N 3.26Å; D1280-K1283 PolarHBondContact O-N 2.65Å; D1280-K1283 IonicContact OD1-NZ 2.65Å; D1280-K1283 PolarHBondContact OD1-NZ 3.36Å; D1280-V1284 VanDerWaalsContact O-CG2 3.31Å; D1280-V1284 WeakPolarHBondContact O-CG2 3.44Å; D1280-V1284 PolarHBondContact O-N 2.82Å
1281Y86.5Confident75Confident1 Ų148.4 Ų48.40%0.00426%0.261CS..Hα-helixtrans-55.9-48.3170.4171.1-100.2000111.9W576 I577 R580 L581 V1127 L1135 L1277 I1278 V1284 M1285W576-Y1281 WeakPolarHBondContact CZ3-OH 3.33Å; I577-Y1281 HydrophobicContact CB-CE1 4.37Å; I577-Y1281 HydrophobicContact CD1-CD1 3.7Å; I577-Y1281 HydrophobicContact CD1-CE1 3.86Å; I577-Y1281 HydrophobicContact CD1-CG 4.48Å; I577-Y1281 HydrophobicContact CG1-CD1 3.85Å; I577-Y1281 HydrophobicContact CG1-CE1 3.55Å; I577-Y1281 HydrophobicContact CG2-CD1 3.92Å; I577-Y1281 HydrophobicContact CG2-CD2 3.79Å; I577-Y1281 HydrophobicContact CG2-CE1 4.07Å; I577-Y1281 HydrophobicContact CG2-CE2 3.94Å; I577-Y1281 HydrophobicContact CG2-CG 3.78Å; R580-Y1281 WeakPolarHBondContact CD-OH 3.41Å; R580-Y1281 PolarHBondContact NH1-OH 3.35Å; L581-Y1281 HydrophobicContact CD2-CD2 4.44Å; V1127-Y1281 HydrophobicContact CG2-CE2 4.19Å; L1135-Y1281 HydrophobicContact CD1-CD2 4.36Å; L1277-Y1281 VanDerWaalsContact O-CB 3.25Å; L1277-Y1281 WeakPolarHBondContact O-CB 3.41Å; L1277-Y1281 PolarHBondContact O-N 3.1Å; I1278-Y1281 PolarHBondContact O-N 3.18Å; Y1281-V1284 PolarHBondContact O-N 3.1Å; Y1281-M1285 HydrophobicContact CD1-CE 4.04Å; Y1281-M1285 HydrophobicContact CE1-CE 3.33Å; Y1281-M1285 HydrophobicContact CE1-SD 4.01Å; Y1281-M1285 HydrophobicContact CE2-SD 4.33Å; Y1281-M1285 PolarHBondContact O-N 3.22Å
1282Y85.4Confident72.4Confident0 Ų052.7 Ų52.70%029%0.287CS..Hα-helixtrans-71-35.5179.3-76.4-65.2000113.1I577 I1278 D1280 V1284 M1285 E1286 I1560 E1563 H1564I577-Y1282 HydrophobicContact CD1-CE2 3.81Å; I1278-Y1282 HydrophobicContact CG2-CD2 3.9Å; I1278-Y1282 HydrophobicContact CG2-CE2 4.05Å; I1278-Y1282 WeakPolarHBondContact O-CD2 3.38Å; I1278-Y1282 PolarHBondContact O-N 3.31Å; I1278-Y1282 VanDerWaalsContact O-N 3.11Å; D1280-Y1282 PolarHBondContact O-N 3.26Å; Y1282-V1284 PolarHBondContact O-N 3.31Å; Y1282-M1285 HydrophobicContact CD1-CE 3.34Å; Y1282-M1285 HydrophobicContact CE1-CE 3.42Å; Y1282-M1285 VanDerWaalsContact CE1-CE 3.42Å; Y1282-M1285 HydrophobicContact CG-CE 4.42Å; Y1282-M1285 PolarHBondContact O-N 3.4Å; Y1282-E1286 WeakPolarHBondContact O-CG 3.49Å; Y1282-E1286 PolarHBondContact O-N 2.75Å; Y1282-I1560 HydrophobicContact CD1-CG2 3.73Å; Y1282-I1560 HydrophobicContact CG-CG2 4.31Å; Y1282-E1563 HydrophobicContact CE1-CB 4.04Å; Y1282-E1563 VanDerWaalsContact CE1-OE2 3.23Å; Y1282-E1563 WeakPolarHBondContact CE1-OE2 3.33Å; Y1282-E1563 WeakPolarHBondContact OH-CB 3.31Å; Y1282-E1563 PolarHBondContact OH-OE2 3.47Å; Y1282-H1564 HydrophobicContact CD2-CB 3.78Å; Y1282-H1564 AromaticContact CD2-CD2 3.79Å; Y1282-H1564 HydrophobicContact CE2-CB 4.18Å; Y1282-H1564 HydrophobicContact CG-CB 4.1Å
1283K82.3Confident69.8Low98 Ų9860.5 Ų60.543%0.42632%0.323SS..Hα-helixtrans-58.8-43.7170.1-76.7173.3-167.5158.30112.5K1279 D1280 M1285 E1286 A1287K1279-K1283 VanDerWaalsContact O-CG 3.3Å; K1279-K1283 WeakPolarHBondContact O-CG 3.47Å; K1279-K1283 PolarHBondContact O-N 3.4Å; D1280-K1283 PolarHBondContact O-N 2.65Å; D1280-K1283 IonicContact OD1-NZ 2.65Å; D1280-K1283 PolarHBondContact OD1-NZ 3.36Å; K1283-M1285 VanDerWaalsContact C-N 3.3Å; K1283-M1285 PolarHBondContact O-N 2.97Å; K1283-E1286 PolarHBondContact O-N 2.77Å; K1283-E1286 VanDerWaalsContact O-N 3.15Å; K1283-A1287 PolarHBondContact O-N 2.9Å
1284V80.7Confident67.2Low53 Ų5366.5 Ų66.532%0.32136%0.356SS..Hα-helixtrans-62.8-38.8179.5169.10000110.6V1127 D1280 Y1281 Y1282V1127-V1284 HydrophobicContact CG1-CG1 4Å; D1280-V1284 VanDerWaalsContact O-CG2 3.31Å; D1280-V1284 WeakPolarHBondContact O-CG2 3.44Å; D1280-V1284 PolarHBondContact O-N 2.82Å; Y1281-V1284 PolarHBondContact O-N 3.1Å; Y1282-V1284 PolarHBondContact O-N 3.31Å
1285M77.6Confident64.5Low6 Ų674.7 Ų74.73%0.0340%0.395CS..Hα-helixtrans-70.8-27.2173.5-69.1-161-55.500114.3R580 L1125 V1127 Y1281 Y1282 K1283 A1287R580-M1285 PolarHBondContact NH1-SD 2.65Å; L1125-M1285 HydrophobicContact CB-CB 4.37Å; L1125-M1285 HydrophobicContact CB-CG 4.49Å; L1125-M1285 HydrophobicContact CB-SD 4.3Å; L1125-M1285 VanDerWaalsContact CD1-O 3.3Å; L1125-M1285 WeakPolarHBondContact CD1-O 3.33Å; V1127-M1285 HydrophobicContact CG2-CG 3.67Å; V1127-M1285 HydrophobicContact CG2-SD 4.15Å; Y1281-M1285 HydrophobicContact CD1-CE 4.04Å; Y1281-M1285 HydrophobicContact CE1-CE 3.33Å; Y1281-M1285 HydrophobicContact CE1-SD 4.01Å; Y1281-M1285 HydrophobicContact CE2-SD 4.33Å; Y1281-M1285 PolarHBondContact O-N 3.22Å; Y1282-M1285 HydrophobicContact CD1-CE 3.34Å; Y1282-M1285 HydrophobicContact CE1-CE 3.42Å; Y1282-M1285 VanDerWaalsContact CE1-CE 3.42Å; Y1282-M1285 HydrophobicContact CG-CE 4.42Å; Y1282-M1285 PolarHBondContact O-N 3.4Å; K1283-M1285 VanDerWaalsContact C-N 3.3Å; K1283-M1285 PolarHBondContact O-N 2.97Å; M1285-A1287 VanDerWaalsContact C-N 3.34Å
1286E72.3Confident61.8Low24 Ų2479 Ų7911%0.11242%0.423CS..Hα-helixtrans-75.8-18.1178.9-81.3172.7-122.700114.3Y1282 K1283 R1288 R1483 I1560Y1282-E1286 WeakPolarHBondContact O-CG 3.49Å; Y1282-E1286 PolarHBondContact O-N 2.75Å; K1283-E1286 PolarHBondContact O-N 2.77Å; K1283-E1286 VanDerWaalsContact O-N 3.15Å; E1286-R1288 PolarHBondContact O-N 2.96Å; E1286-R1288 IonicContact OE2-NH1 3.1Å; E1286-R1288 PolarHBondContact OE2-NH1 3.17Å; E1286-R1483 VanDerWaalsContact CD-NH1 3.34Å; E1286-R1483 IonicContact OE1-CZ 2.6Å; E1286-R1483 IonicContact OE1-NH1 2.66Å; E1286-R1483 PolarHBondContact OE1-NH1 2.94Å; E1286-R1483 IonicContact OE1-NH2 2.72Å; E1286-R1483 PolarHBondContact OE1-NH2 2.82Å; E1286-R1483 IonicContact OE2-NH1 3.7Å; E1286-R1483 PolarHBondContact OE2-NH1 3.11Å; E1286-I1560 HydrophobicContact CG-CD1 4.28Å; E1286-I1560 HydrophobicContact CG-CG2 3.96Å; E1286-I1560 WeakPolarHBondContact OE1-CG2 3.04Å
1287A61.3Low59.2Low83 Ų8383.9 Ų83.969%0.68645%0.45SS*.  trans50.221.5172.200000116.5K1283 M1285 P1289K1283-A1287 PolarHBondContact O-N 2.9Å; M1285-A1287 VanDerWaalsContact C-N 3.34Å; A1287-P1289 WeakPolarHBondContact O-CD 3.48Å
1288R53.3Low56.5Low108 Ų10892.3 Ų92.341%0.40849%0.489SS..  trans-68.1120.1177.5-80.9179.3164.9145-4.7110.3E1286 D1490E1286-R1288 PolarHBondContact O-N 2.96Å; E1286-R1288 IonicContact OE2-NH1 3.1Å; E1286-R1288 PolarHBondContact OE2-NH1 3.17Å; R1288-D1490 IonicContact CZ-OD2 2.62Å; R1288-D1490 IonicContact NH2-OD1 2.67Å; R1288-D1490 PolarHBondContact NH2-OD1 2.86Å; R1288-D1490 VanDerWaalsContact NH2-OD1 3.07Å; R1288-D1490 IonicContact NH2-OD2 3.82Å; R1288-D1490 PolarHBondContact NH2-OD2 3.28Å
1289P39Very low54Low112 Ų11296.7 Ų96.773%0.72753%0.526SS*.  trans-67136.6171.128.7-33.7000109.8A1287 T1291A1287-P1289 WeakPolarHBondContact O-CD 3.48Å; P1289-T1291 PolarHBondContact O-N 3.26Å; P1289-T1291 VanDerWaalsContact O-N 3.17Å
1290Q38.2Very low51.4Low176 Ų176102.7 Ų102.782%0.82256%0.559SS**  trans-71.3109.1172.7-65.5-176.30.500109.4V1292Q1290-V1292 VanDerWaalsContact C-N 3.26Å; Q1290-V1292 HydrophobicContact CB-CG2 4.1Å; Q1290-V1292 PolarHBondContact O-N 2.82Å
1291T31.3Very low48.6Very low133 Ų133105.6 Ų105.682%0.81658%0.583SS**  trans-75.478.1173.553.10000110.4P1289 E1293P1289-T1291 PolarHBondContact O-N 3.26Å; P1289-T1291 VanDerWaalsContact O-N 3.17Å; T1291-E1293 PolarHBondContact O-N 3.19Å
1292V34.4Very low45.9Very low92 Ų92108.7 Ų108.756%0.55862%0.616SS**  trans-93.384.4173.6-174.70000109.2Q1290 E1295Q1290-V1292 VanDerWaalsContact C-N 3.26Å; Q1290-V1292 HydrophobicContact CB-CG2 4.1Å; Q1290-V1292 PolarHBondContact O-N 2.82Å; V1292-E1295 HydrophobicContact CG1-CB 4.4Å
1293E32Very low43.2Very low178 Ų178114.3 Ų114.383%0.83265%0.65SS**  trans-82.6115.1160.7-71-165.4164.500109.3T1291T1291-E1293 PolarHBondContact O-N 3.19Å
1294N32Very low41Very low152 Ų152115.4 Ų115.481%0.81366%0.659SS**SBendtrans79.653.5171.4-44.9-72.6000118.1
1295E31.8Very low38.7Very low174 Ų174117.5 Ų117.581%0.81367%0.669SS**SBendtrans-139.8155.7142.6-122.1167.8-141.400111V1292V1292-E1295 HydrophobicContact CG1-CB 4.4Å
1296S30Very low36.8Very low108 Ų108120.1 Ų120.176%0.75569%0.691SS**  trans-81.5143.2-156.252.40000115.8Q1298S1296-Q1298 PolarHBondContact O-N 3.25Å
1297I29.7Very low35.1Very low164 Ų164123.2 Ų123.284%0.84172%0.715SS**SBendtrans-65.895.9-177.5-54.6172000111.6
1298Q30.7Very low34Very low177 Ų177126.9 Ų126.983%0.82772%0.718SS**  trans-144.5-1.4164.2-113.21741.700114.4S1296S1296-Q1298 PolarHBondContact O-N 3.25Å
1299A34Very low33.7Very low93 Ų93125.4 Ų125.477%0.76972%0.718SS**THydrogen-bonded Turntrans-96.715.8-169.800000116
1300L31.1Very low34.3Very low176 Ų176126.7 Ų126.792%0.92171%0.714SS**THydrogen-bonded Turntrans-9616173.6-80.6169000113.6
1301S27.1Very low35.5Very low109 Ų109121 Ų12176%0.76269%0.685SS**  trans-116.941.1168.7-175.50000110.7T1303S1301-T1303 PolarHBondContact O-N 2.79Å
1302G29.8Very low37Very low67 Ų67116.1 Ų116.169%0.69166%0.655SS**  trans-88.780.9178.200000112.3
1303T28.8Very low38.4Very low117 Ų117116.5 Ų116.572%0.71865%0.647SS**  trans-55.9149.5153.541.30000109.3S1301 D1305S1301-T1303 PolarHBondContact O-N 2.79Å; T1303-D1305 PolarHBondContact O-N 3.17Å
1304I35.8Very low40.2Very low121 Ų121108.5 Ų108.562%0.62161%0.61SS**  trans-70.686.5178.3-60.6179.2000109.3I1134 A1306I1134-I1304 HydrophobicContact CG2-CD1 3.39Å; I1304-A1306 VanDerWaalsContact C-N 3.29Å; I1304-A1306 PolarHBondContact O-N 3.06Å
1305D33Very low41.7Very low98 Ų98101.5 Ų101.552%0.52457%0.572SS.*  trans-82.879.8177.4-152.6-18.3000108.7T1303 S1307 Q1308T1303-D1305 PolarHBondContact O-N 3.17Å; D1305-S1307 VanDerWaalsContact CG-OG 3.23Å; D1305-S1307 PolarHBondContact O-N 3.02Å; D1305-S1307 WeakPolarHBondContact OD1-CB 3.41Å; D1305-S1307 PolarHBondContact OD1-OG 3.4Å; D1305-Q1308 PolarHBondContact O-N 2.98Å
1306A36.4Very low43.6Very low60 Ų6094.2 Ų94.250%0.49654%0.539SS..G310 helixtrans-57.6-9.1-178.500000113.6I1304 Q1308I1304-A1306 VanDerWaalsContact C-N 3.29Å; I1304-A1306 PolarHBondContact O-N 3.06Å; A1306-Q1308 VanDerWaalsContact C-N 3.26Å; A1306-Q1308 PolarHBondContact O-N 3.16Å
1307S36.5Very low45.5Very low89 Ų8989.1 Ų89.162%0.62250%0.504SS*.G310 helixtrans-63-20.4174.668.90000115.1D1305D1305-S1307 VanDerWaalsContact CG-OG 3.23Å; D1305-S1307 PolarHBondContact O-N 3.02Å; D1305-S1307 WeakPolarHBondContact OD1-CB 3.41Å; D1305-S1307 PolarHBondContact OD1-OG 3.4Å
1308Q38.7Very low47.2Very low161 Ų16185.4 Ų85.475%0.75248%0.481SS*.G310 helixtrans-102.33.3-172.2-61.3-162.916.800115.3D1305 A1306 E1310D1305-Q1308 PolarHBondContact O-N 2.98Å; A1306-Q1308 VanDerWaalsContact C-N 3.26Å; A1306-Q1308 PolarHBondContact O-N 3.16Å; Q1308-E1310 PolarHBondContact O-N 3.39Å
1309I48Very low48.7Very low77 Ų7779.2 Ų79.240%0.39545%0.454SS..  trans-83.9105.7173.6-54.5173.8000108.9Y1311I1309-Y1311 HydrophobicContact CB-CD2 4.01Å; I1309-Y1311 HydrophobicContact CB-CE2 3.62Å; I1309-Y1311 HydrophobicContact CD1-CE2 4.31Å; I1309-Y1311 WeakPolarHBondContact CD1-OH 3.38Å; I1309-Y1311 HydrophobicContact CG2-CD1 3.87Å; I1309-Y1311 HydrophobicContact CG2-CD2 3.85Å; I1309-Y1311 HydrophobicContact CG2-CE1 3.66Å; I1309-Y1311 HydrophobicContact CG2-CE2 3.63Å; I1309-Y1311 HydrophobicContact CG2-CG 3.98Å; I1309-Y1311 VanDerWaalsContact O-CD2 3.31Å; I1309-Y1311 WeakPolarHBondContact O-CD2 3.27Å; I1309-Y1311 PolarHBondContact O-N 3.48Å
1310E51.9Low49.7Very low138 Ų13878.8 Ų78.865%0.64544%0.443SS*.  trans-71.274.7171.6-75.4-147.5119.300111.4Q1308 K1403Q1308-E1310 PolarHBondContact O-N 3.39Å; E1310-K1403 IonicContact OE1-NZ 3.91Å; E1310-K1403 PolarHBondContact OE1-NZ 3.02Å
1311Y62.8Low50.5Low56 Ų5675.9 Ų75.922%0.2243%0.428CS..  trans-60.5144.6170.3-65.7-73.5000111.7Q1272 E1273 I1309Q1272-Y1311 HydrophobicContact CB-CD1 3.73Å; Q1272-Y1311 HydrophobicContact CB-CE1 3.77Å; E1273-Y1311 HydrophobicContact CG-CE1 4.39Å; I1309-Y1311 HydrophobicContact CB-CD2 4.01Å; I1309-Y1311 HydrophobicContact CB-CE2 3.62Å; I1309-Y1311 HydrophobicContact CD1-CE2 4.31Å; I1309-Y1311 WeakPolarHBondContact CD1-OH 3.38Å; I1309-Y1311 HydrophobicContact CG2-CD1 3.87Å; I1309-Y1311 HydrophobicContact CG2-CD2 3.85Å; I1309-Y1311 HydrophobicContact CG2-CE1 3.66Å; I1309-Y1311 HydrophobicContact CG2-CE2 3.63Å; I1309-Y1311 HydrophobicContact CG2-CG 3.98Å; I1309-Y1311 VanDerWaalsContact O-CD2 3.31Å; I1309-Y1311 WeakPolarHBondContact O-CD2 3.27Å; I1309-Y1311 PolarHBondContact O-N 3.48Å
1312T62.2Low51.2Low31 Ų3179 Ų7919%0.1943%0.431CS..  trans-73.9129.8177.6530000110.9Q1265 Q1272 I1471Q1265-T1312 PolarHBondContact NE2-O 2.74Å; Q1272-T1312 PolarHBondContact NE2-OG1 2.94Å; Q1272-T1312 PolarHBondContact OE1-OG1 3.04Å; T1312-I1471 HydrophobicContact CG2-CD1 4.43Å; T1312-I1471 HydrophobicContact CG2-CG2 4.02Å
1313R64.7Low51.8Low100 Ų10082.4 Ų82.438%0.37743%0.432SS..  trans-112.6136.8-175.9-68.3177.4177.6174.3-8.2113Q1265 E1380 S1383 F1401Q1265-R1313 VanDerWaalsContact OE1-CA 3.3Å; R1313-E1380 PolarHBondContact NH2-O 3.35Å; R1313-S1383 PolarHBondContact NH1-O 2.55Å; R1313-F1401 VanDerWaalsContact O-CD1 3.29Å; R1313-F1401 WeakPolarHBondContact O-CD1 3.21Å
1314I69.4Low52.1Low11 Ų1182.2 Ų82.26%0.05643%0.43CS..PPolyproline II helixtrans-72.7130.6175.3-68.1-178.6000110.3L1261 L1264 Q1265 L1268 F1401 V1464L1261-I1314 HydrophobicContact CB-CG2 4.12Å; L1261-I1314 HydrophobicContact CD2-CG2 4.21Å; L1264-I1314 HydrophobicContact CB-CD1 3.54Å; Q1265-I1314 HydrophobicContact CB-CB 4.48Å; Q1265-I1314 HydrophobicContact CB-CD1 4Å; Q1265-I1314 HydrophobicContact CB-CG1 4.37Å; Q1265-I1314 VanDerWaalsContact N-CD1 3.34Å; L1268-I1314 HydrophobicContact CD2-CG1 4.49Å; I1314-F1401 HydrophobicContact CB-CE1 4.18Å; I1314-F1401 HydrophobicContact CB-CZ 4.26Å; I1314-F1401 HydrophobicContact CG1-CE1 3.59Å; I1314-F1401 HydrophobicContact CG1-CZ 3.74Å; I1314-V1464 HydrophobicContact CG2-CG1 3.75Å
1315P63.8Low52.2Low4 Ų484.6 Ų84.63%0.02644%0.439CS..PPolyproline II helixtrans-73.6143.9170.530.4-33.5000111.5N1386 L1388 I1397 F1401P1315-N1386 WeakPolarHBondContact CA-O 3.39Å; P1315-N1386 WeakPolarHBondContact CB-O 3.19Å; P1315-L1388 HydrophobicContact CB-CD1 3.57Å; P1315-L1388 HydrophobicContact CB-CG 3.83Å; P1315-L1388 HydrophobicContact CG-CD1 3.63Å; P1315-L1388 HydrophobicContact CG-CG 4.43Å; P1315-I1397 HydrophobicContact CG-CG2 4.38Å; P1315-F1401 HydrophobicContact CG-CE2 4.45Å
1316L71.5Confident52.3Low21 Ų2186.7 Ų86.711%0.1145%0.45CS..EExtended strand (participates in β ladder)trans-101.1158.1176.7-64-176.5000111.2N1258 L1261 I1385 N1386 L1387 L1388N1258-L1316 HydrophobicContact CB-CD2 4.21Å; L1261-L1316 HydrophobicContact CB-CD2 3.81Å; L1261-L1316 HydrophobicContact CD1-CD2 4.12Å; L1316-I1385 HydrophobicContact CB-CG2 4.19Å; L1316-I1385 HydrophobicContact CD1-CD1 4.06Å; L1316-I1385 HydrophobicContact CD1-CG2 4.22Å; L1316-I1385 HydrophobicContact CG-CG2 4.05Å; L1316-N1386 PolarHBondContact N-O 3.31Å; L1316-L1387 HydrophobicContact CB-CD2 4.11Å; L1316-L1387 WeakPolarHBondContact O-CA 3.29Å; L1316-L1388 PolarHBondContact O-N 3.16Å
1317I69.4Low52Low2 Ų291.4 Ų91.41%0.0147%0.467CS..EExtended strand (participates in β ladder)trans-76.6130.4175.1-60.6-179.8000109.4I1254 I1257 N1258 L1261 P1390 F1460I1254-I1317 HydrophobicContact CD1-CG2 4.3Å; I1254-I1317 HydrophobicContact CG1-CG2 4.07Å; I1254-I1317 HydrophobicContact CG2-CB 4.11Å; I1254-I1317 HydrophobicContact CG2-CG2 3.95Å; I1257-I1317 HydrophobicContact CB-CD1 4.29Å; I1257-I1317 HydrophobicContact CD1-CD1 4.22Å; I1257-I1317 HydrophobicContact CG2-CD1 3.6Å; I1257-I1317 HydrophobicContact CG2-CG1 4.45Å; N1258-I1317 PolarHBondContact ND2-O 3.31Å; N1258-I1317 PolarHBondContact OD1-N 3.34Å; L1261-I1317 HydrophobicContact CD1-CG1 4.44Å; I1317-P1390 HydrophobicContact CG2-CB 4.39Å; I1317-F1460 HydrophobicContact CD1-CB 4.3Å; I1317-F1460 HydrophobicContact CD1-CD1 3.61Å; I1317-F1460 HydrophobicContact CD1-CE1 4.08Å; I1317-F1460 HydrophobicContact CD1-CG 3.98Å; I1317-F1460 HydrophobicContact CG1-CD1 3.56Å; I1317-F1460 HydrophobicContact CG1-CE1 3.48Å; I1317-F1460 VanDerWaalsContact CG1-CE1 3.48Å; I1317-F1460 HydrophobicContact CG1-CE2 4.47Å; I1317-F1460 HydrophobicContact CG1-CG 4.12Å; I1317-F1460 HydrophobicContact CG1-CZ 3.97Å
1318K65.8Low51.9Low85 Ų8594.1 Ų94.137%0.3747%0.474SS..PPolyproline II helixtrans-72.6133.5170.8-156.9-159.6166.1-179.60110.6D1321 L1387 L1388K1318-D1321 VanDerWaalsContact CE-OD1 3.27Å; K1318-D1321 WeakPolarHBondContact CE-OD1 3.45Å; K1318-D1321 IonicContact NZ-OD1 2.66Å; K1318-D1321 PolarHBondContact NZ-OD1 3.01Å; K1318-D1321 IonicContact NZ-OD2 2.9Å; K1318-D1321 PolarHBondContact NZ-OD2 3.26Å; K1318-L1387 HydrophobicContact CB-CB 4.06Å; K1318-L1387 HydrophobicContact CG-CB 4.16Å; K1318-L1387 HydrophobicContact CG-CD1 4.34Å; K1318-L1388 PolarHBondContact N-O 2.9Å
1319L62.2Low51.7Low48 Ų4890.8 Ų90.825%0.25147%0.469SS..PPolyproline II helixtrans-63.5150164.8-67.9161.6000110.5D1251 I1254 I1370D1251-L1319 HydrophobicContact CB-CD2 3.88Å; I1254-L1319 HydrophobicContact CB-CD2 4.12Å; I1254-L1319 HydrophobicContact CD1-CD2 4.4Å; I1254-L1319 HydrophobicContact CG2-CD2 3.75Å; I1254-L1319 HydrophobicContact CG2-CG 4.25Å; L1319-I1370 HydrophobicContact CD1-CD1 3.61Å; L1319-I1370 HydrophobicContact CD1-CG2 4.36Å
1320P55Low50.8Low83 Ų8393.2 Ų93.254%0.53949%0.493SS..PPolyproline II helixtrans-64.1133.1170.2-16.331000110.4
1321D47.4Very low49.8Very low116 Ų11689.9 Ų89.962%0.6250%0.495SS*.PPolyproline II helixtrans-75.9143.7167.5-47.3-59.2000108.9K1318 I1323K1318-D1321 VanDerWaalsContact CE-OD1 3.27Å; K1318-D1321 WeakPolarHBondContact CE-OD1 3.45Å; K1318-D1321 IonicContact NZ-OD1 2.66Å; K1318-D1321 PolarHBondContact NZ-OD1 3.01Å; K1318-D1321 IonicContact NZ-OD2 2.9Å; K1318-D1321 PolarHBondContact NZ-OD2 3.26Å; D1321-I1323 PolarHBondContact O-N 3.47Å
1322E42.3Very low48.2Very low173 Ų17392.2 Ų92.281%0.80852%0.52SS*.PPolyproline II helixtrans-59.8128.2-178-66.4-178.9146.600112.2V1324E1322-V1324 PolarHBondContact O-N 3.42Å; E1322-V1324 VanDerWaalsContact O-N 3.12Å
1323I41.8Very low46.6Very low139 Ų139101.1 Ų101.171%0.71355%0.55SS*.  trans-77.398.8174-61.1177.6000108.5D1321 E1325D1321-I1323 PolarHBondContact O-N 3.47Å; I1323-E1325 HydrophobicContact CG2-CB 4.21Å; I1323-E1325 HydrophobicContact CG2-CG 3.71Å; I1323-E1325 PolarHBondContact O-N 3.21Å
1324V36.4Very low45Very low113 Ų113105.3 Ų105.369%0.68557%0.571SS**  trans-78.176.4166-173.30000108.9E1322 N1326E1322-V1324 PolarHBondContact O-N 3.42Å; E1322-V1324 VanDerWaalsContact O-N 3.12Å; V1324-N1326 PolarHBondContact O-N 2.86Å
1325E36.2Very low43.1Very low172 Ų172109.4 Ų109.480%0.80460%0.6SS**  trans-70.8113.1164.7-97.1168.7-165.300108.8I1323I1323-E1325 HydrophobicContact CG2-CB 4.21Å; I1323-E1325 HydrophobicContact CG2-CG 3.71Å; I1323-E1325 PolarHBondContact O-N 3.21Å
1326N35.4Very low41.5Very low142 Ų142114.9 Ų114.976%0.75963%0.634SS**  trans-92.9115.7165.1-69-89.9000107.4V1324V1324-N1326 PolarHBondContact O-N 2.86Å
1327D31.1Very low39.6Very low158 Ų158119 Ų11985%0.84566%0.664SS**  trans-60.4135.7159.9-78-55.1000109.6
1328D33.4Very low37.9Very low147 Ų147125.6 Ų125.679%0.78671%0.705SS**  -178153.1102.1-130.3-34.5000115.1
1329S34.1Very low36.3Very low90 Ų90132.1 Ų132.163%0.62973%0.727SS**  trans67.987.3149.5740000123
1330S30Very low35Very low129 Ų129138.5 Ų138.590%0.90276%0.756SS**  71.3170.6126.383.30000122.1
1331G30.5Very low33.8Very low68 Ų68140.8 Ų140.870%0.70176%0.764SS**  trans123.631.6138.400000123.5
1332S28.7Very low33.1Very low104 Ų104140.5 Ų140.573%0.72777%0.771SS**  trans37.2130146.2-137.80000122.7
1333R30.2Very low32.6Very low218 Ų218137.8 Ų137.882%0.82377%0.771SS**  trans96.2117.8147.9-62.1157.2-175.6-163.7-0.1121.8
1334K30.7Very low32Very low188 Ų188142.1 Ų142.182%0.81778%0.778SS**  70.2113124.5-67.3-172.7175-174.50122
1335S30Very low31.6Very low97 Ų97141.1 Ų141.168%0.67878%0.776SS**  82.7124.3119.469.90000122.9
1336T29.6Very low31.3Very low120 Ų120138.6 Ų138.674%0.73678%0.778SS**  trans64.9100.3136.954.60000121
1337S31.7Very low31Very low107 Ų107136 Ų13675%0.74877%0.771SS**  44.3126125.564.20000121.7
1338T33.2Very low31Very low141 Ų141134.8 Ų134.887%0.86576%0.764SS**  -159.9161.2121.2-80.60000109.8
1339R31.9Very low30.8Very low221 Ų221137.8 Ų137.883%0.83476%0.764SS**  trans-133.2104.9-162.3176.3-168.2-177.1-178.24.1112.6
1340Q36Very low30.6Very low182 Ų182140 Ų14085%0.8577%0.769SS**  trans-145.7131.6161.4-61.4-171.75.100107.5
1341N29.7Very low30.7Very low132 Ų132140.3 Ų140.371%0.70676%0.76SS**  cis93.98040.3-77.211.9000115.6
1342S31.4Very low30.6Very low110 Ų110145.4 Ų145.477%0.76976%0.763SS**  54.8114.7126.464.60000122
1343S32.8Very low30.8Very low115 Ų115149 Ų14980%0.80477%0.773SS**  trans-178.5154.414830.10000111
1344R30Very low30.7Very low230 Ų230147.6 Ų147.687%0.86877%0.773SS**  cis-161.7115.3-28.6-132.4-178171.8136.2-5.7111.8
1345S27.8Very low30.6Very low93 Ų93145.9 Ų145.965%0.6577%0.772SS**  trans42.3133.5138.862.90000124.9
1346S28.3Very low30.4Very low119 Ų119146.7 Ų146.783%0.83277%0.773SS**  trans81.7160.7139.685.20000119
1347S29.4Very low30.4Very low88 Ų88148.2 Ų148.262%0.61578%0.777SS**  cis-160.7161.610.277.30000114.8
1348N32.4Very low30.2Very low131 Ų131149.3 Ų149.370%0.70178%0.784SS**  trans64.8155.8143.2-72.7-32.8000121.9
1349R29.4Very low30Very low211 Ų211145.9 Ų145.980%0.79678%0.777SS**  cis-177157.6-28.8-125-176.3-169.2-167.72.5110.7
1350L30.1Very low29.8Very low137 Ų137142.9 Ų142.972%0.71778%0.777SS**  trans66.1154.2172.8-78.668.2000114.2
1351N31Very low29.2Very low134 Ų134140.2 Ų140.272%0.71777%0.774SS**  cis-162.3175.31.7-113.2-5.3000108.5
1352K29.1Very low29.1Very low176 Ų176138.6 Ų138.677%0.76577%0.768SS**  cis16993.2-36.6169.7-120.2167.1-169.10111.2
1353L32.6Very low28.9Very low180 Ų180141.2 Ų141.294%0.94277%0.773SS**  trans-153.7178.1165.3-111.9166.2000111.7
1354K28.9Very low28.7Very low187 Ų187141.2 Ų141.281%0.81377%0.773SS**  trans-127.4160.1-155.7-80.4-169.5172.7-1700116.7
1355L26.8Very low28.5Very low153 Ų153138.2 Ų138.280%0.80177%0.766SS**  trans107.6143.1144-85.2150.9000120.4
1356T26.5Very low28.5Very low113 Ų113144.5 Ų144.569%0.69378%0.777SS**  trans59.8107.6169.152.70000120.6
1357D30Very low28.6Very low153 Ų153143 Ų14382%0.81876%0.764SS**  trans53.496.4130.8-49.4-15000120.8
1358S27Very low28.8Very low130 Ų130142.1 Ų142.191%0.90976%0.755SS**  trans-178.4150.8140.232.70000110.4
1359G29.6Very low28.9Very low69 Ų69141.5 Ų141.571%0.71176%0.759SS**  cis175.2174.7-8.800000113.5
1360N26.4Very low29.4Very low158 Ų158133.1 Ų133.185%0.84573%0.729SS**  trans-62.3167150.2-62.9-37.4000108.2
1361T24.8Very low29.9Very low126 Ų126130.6 Ų130.677%0.77372%0.717SS**  cis-170.7158.840.5-28.60000110.7
1362V27.6Very low30.5Very low97 Ų97130.4 Ų130.459%0.58871%0.713SS**  trans55.4108.9161.3-161.20000118.7K1365V1362-K1365 HydrophobicContact CG1-CG 4.5Å
1363L26.4Very low31.4Very low165 Ų165128.8 Ų128.886%0.86471%0.706SS**  -161.585.5118-13988.1000114.9
1364S29.3Very low32.1Very low116 Ų116123.7 Ų123.781%0.81168%0.676SS**  -138.4128.5128.261.50000107.5
1365K26.2Very low32.8Very low167 Ų167120 Ų12073%0.72666%0.662SS**  trans-120.986.5179.5-83.7-171.1173.9-175.40108.9V1362V1362-K1365 HydrophobicContact CG1-CG 4.5Å
1366Y26.2Very low33.8Very low225 Ų225118.3 Ų118.388%0.88265%0.653SS**  trans-160.4119143.7-80.9-59.1000106.8
1367P30.8Very low34.7Very low87 Ų87113.7 Ų113.757%0.56562%0.624SS**  trans-72.1137.817030.8-31.9000108.7M1372P1367-M1372 HydrophobicContact CG-CE 4.29Å
1368T33.2Very low35.3Very low69 Ų69106.9 Ų106.942%0.42359%0.587SS.*  trans-71.6155.216570.30000108.7I1370 D1371T1368-I1370 PolarHBondContact O-N 3.47Å; T1368-I1370 PolarHBondContact OG1-N 2.85Å; T1368-D1371 WeakPolarHBondContact CB-OD2 3.26Å; T1368-D1371 PolarHBondContact N-OD2 3.24Å; T1368-D1371 PolarHBondContact O-N 3.38Å; T1368-D1371 PolarHBondContact OG1-N 3.4Å; T1368-D1371 PolarHBondContact OG1-OD2 3.44Å
1369P35.6Very low36.3Very low119 Ų119104.8 Ų104.877%0.77357%0.573SS**THydrogen-bonded Turntrans-62.6-0.2173.9-23.535000114.8
1370I39.8Very low37.1Very low35 Ų35105.6 Ų105.618%0.17956%0.558CS.*THydrogen-bonded Turntrans-99-38.4-176.2-62175.1000110.6L1255 L1319 T1368 M1372 K1373 F1374L1255-I1370 HydrophobicContact CD2-CG2 4.01Å; L1319-I1370 HydrophobicContact CD1-CD1 3.61Å; L1319-I1370 HydrophobicContact CD1-CG2 4.36Å; T1368-I1370 PolarHBondContact O-N 3.47Å; T1368-I1370 PolarHBondContact OG1-N 2.85Å; I1370-M1372 VanDerWaalsContact C-N 3.32Å; I1370-M1372 PolarHBondContact O-N 2.89Å; I1370-K1373 PolarHBondContact O-N 3.01Å; I1370-F1374 HydrophobicContact CG2-CD2 3.82Å; I1370-F1374 HydrophobicContact CG2-CE2 3.58Å
1371D39.9Very low38.1Very low84 Ų84100.2 Ų100.245%0.44953%0.527SS..Hα-helixtrans-55.5-42.4-175.4-66.2-62.4000113T1368 K1373 F1374 E1375T1368-D1371 WeakPolarHBondContact CB-OD2 3.26Å; T1368-D1371 PolarHBondContact N-OD2 3.24Å; T1368-D1371 PolarHBondContact O-N 3.38Å; T1368-D1371 PolarHBondContact OG1-N 3.4Å; T1368-D1371 PolarHBondContact OG1-OD2 3.44Å; D1371-K1373 PolarHBondContact O-N 3.07Å; D1371-K1373 VanDerWaalsContact O-N 3.11Å; D1371-F1374 PolarHBondContact O-N 3.32Å; D1371-E1375 PolarHBondContact O-N 2.97Å
1372M43.7Very low38.9Very low130 Ų130101.3 Ų101.364%0.6452%0.517SS*.Hα-helixtrans-59.5-24178.5-64.9-177-174.100113.7P1367 I1370P1367-M1372 HydrophobicContact CG-CE 4.29Å; I1370-M1372 VanDerWaalsContact C-N 3.32Å; I1370-M1372 PolarHBondContact O-N 2.89Å
1373K48.3Very low39.4Very low142 Ų14299.8 Ų99.862%0.61751%0.511SS*.Hα-helixtrans-88.6-19.8177.7-65.1-168.6176.2-172.10113I1370 D1371I1370-K1373 PolarHBondContact O-N 3.01Å; D1371-K1373 PolarHBondContact O-N 3.07Å; D1371-K1373 VanDerWaalsContact O-N 3.11Å
1374F46.8Very low40.3Very low73 Ų7398.6 Ų98.632%0.3250%0.501SS..Hα-helixtrans-82.1-13.8171.8-80.1-90.1000113L1255 I1370 D1371 I1376 L1377L1255-F1374 HydrophobicContact CD2-CE2 3.46Å; L1255-F1374 VanDerWaalsContact CD2-CE2 3.46Å; L1255-F1374 HydrophobicContact CD2-CZ 3.57Å; I1370-F1374 HydrophobicContact CG2-CD2 3.82Å; I1370-F1374 HydrophobicContact CG2-CE2 3.58Å; D1371-F1374 PolarHBondContact O-N 3.32Å; F1374-I1376 PolarHBondContact O-N 3.25Å; F1374-I1376 VanDerWaalsContact O-N 3.14Å; F1374-L1377 HydrophobicContact CD1-CD1 3.5Å; F1374-L1377 VanDerWaalsContact CD1-CD1 3.5Å; F1374-L1377 HydrophobicContact CE1-CD1 3.99Å; F1374-L1377 HydrophobicContact CG-CD1 4.44Å; F1374-L1377 WeakPolarHBondContact O-CB 3.43Å; F1374-L1377 PolarHBondContact O-N 3.08Å
1375E44.9Very low41.3Very low108 Ų10896.1 Ų96.151%0.50548%0.478SS..THydrogen-bonded Turntrans-61.5-21.8178.3-72.1-133.881.300114.8D1371 L1377 R1382D1371-E1375 PolarHBondContact O-N 2.97Å; E1375-L1377 VanDerWaalsContact C-N 3.27Å; E1375-L1377 PolarHBondContact O-N 2.87Å; E1375-R1382 VanDerWaalsContact CA-NH2 3.25Å; E1375-R1382 PolarHBondContact O-NH2 3.01Å; E1375-R1382 IonicContact OE1-CZ 2.7Å; E1375-R1382 VanDerWaalsContact OE1-CZ 3.24Å; E1375-R1382 IonicContact OE1-NH1 3.99Å; E1375-R1382 PolarHBondContact OE1-NH1 3.39Å; E1375-R1382 IonicContact OE1-NH2 2.6Å; E1375-R1382 PolarHBondContact OE1-NH2 3.14Å
1376I46.4Very low42.8Very low119 Ų11992.8 Ų92.861%0.6147%0.468SS*.THydrogen-bonded Turntrans-73.9-18.5178.1-58.1174.2000111.7F1374F1374-I1376 PolarHBondContact O-N 3.25Å; F1374-I1376 VanDerWaalsContact O-N 3.14Å
1377L45.8Very low44.5Very low16 Ų1687.1 Ų87.18%0.08445%0.453CS..SBendtrans-72.7144.1175.7-78.8150.3000111.4I1153 F1374 E1375I1153-L1377 HydrophobicContact CG1-CD2 4.46Å; F1374-L1377 HydrophobicContact CD1-CD1 3.5Å; F1374-L1377 VanDerWaalsContact CD1-CD1 3.5Å; F1374-L1377 HydrophobicContact CE1-CD1 3.99Å; F1374-L1377 HydrophobicContact CG-CD1 4.44Å; F1374-L1377 WeakPolarHBondContact O-CB 3.43Å; F1374-L1377 PolarHBondContact O-N 3.08Å; E1375-L1377 VanDerWaalsContact C-N 3.27Å; E1375-L1377 PolarHBondContact O-N 2.87Å
1378P43.8Very low46.1Very low9 Ų984.3 Ų84.36%0.05843%0.433CS..  trans-56.7153.9-175.3-22.829.7000114.7N1149 E1380 F1381N1149-P1378 WeakPolarHBondContact OD1-CG 3.42Å; P1378-E1380 WeakPolarHBondContact CB-OE2 3.32Å; P1378-E1380 PolarHBondContact O-N 3.1Å; P1378-E1380 VanDerWaalsContact O-N 3.09Å; P1378-F1381 HydrophobicContact CB-CD2 3.94Å; P1378-F1381 HydrophobicContact CB-CE2 4.22Å; P1378-F1381 HydrophobicContact CG-CD2 3.96Å; P1378-F1381 HydrophobicContact CG-CE2 3.89Å; P1378-F1381 PolarHBondContact O-N 3Å
1379S46.2Very low47.6Very low87 Ų8785.3 Ų85.361%0.60844%0.435SS*.G310 helixtrans-47.7-37.217624.50000113.8F1381 R1382S1379-F1381 PolarHBondContact O-N 3.46Å; S1379-F1381 VanDerWaalsContact O-N 3.17Å; S1379-R1382 PolarHBondContact O-N 3.48Å
1380E47.3Very low48.8Very low86 Ų8681.4 Ų81.440%0.40241%0.41SS..G310 helixtrans-55.9-30.5179.3-53.982.7-91.300112.9R1313 P1378R1313-E1380 PolarHBondContact NH2-O 3.35Å; P1378-E1380 WeakPolarHBondContact CB-OE2 3.32Å; P1378-E1380 PolarHBondContact O-N 3.1Å; P1378-E1380 VanDerWaalsContact O-N 3.09Å
1381F46.5Very low49.9Very low45 Ų4585.5 Ų85.520%0.19743%0.432CS..G310 helixtrans-86.4-17.1179.4-64.2-89.5000113.4Q1265 P1378 S1379 S1383 I1385Q1265-F1381 HydrophobicContact CG-CE1 4.07Å; P1378-F1381 HydrophobicContact CB-CD2 3.94Å; P1378-F1381 HydrophobicContact CB-CE2 4.22Å; P1378-F1381 HydrophobicContact CG-CD2 3.96Å; P1378-F1381 HydrophobicContact CG-CE2 3.89Å; P1378-F1381 PolarHBondContact O-N 3Å; S1379-F1381 PolarHBondContact O-N 3.46Å; S1379-F1381 VanDerWaalsContact O-N 3.17Å; F1381-S1383 VanDerWaalsContact C-N 3.27Å; F1381-S1383 PolarHBondContact O-N 3.13Å; F1381-I1385 VanDerWaalsContact O-CD1 3.28Å; F1381-I1385 WeakPolarHBondContact O-CD1 3.43Å
1382R42.4Very low51.2Low148 Ų14882.3 Ų82.356%0.55842%0.417SS*.SBendtrans-77.6-1.1-172.6-65-169.8179.9-147.39.7114.9E1375 S1379E1375-R1382 VanDerWaalsContact CA-NH2 3.25Å; E1375-R1382 PolarHBondContact O-NH2 3.01Å; E1375-R1382 IonicContact OE1-CZ 2.7Å; E1375-R1382 VanDerWaalsContact OE1-CZ 3.24Å; E1375-R1382 IonicContact OE1-NH1 3.99Å; E1375-R1382 PolarHBondContact OE1-NH1 3.39Å; E1375-R1382 IonicContact OE1-NH2 2.6Å; E1375-R1382 PolarHBondContact OE1-NH2 3.14Å; S1379-R1382 PolarHBondContact O-N 3.48Å
1383S37.9Very low52.5Low66 Ų6678.6 Ų78.646%0.46240%0.404SS..SBendtrans-134131.6-177.362.20000112.9R1313 F1381R1313-S1383 PolarHBondContact NH1-O 2.55Å; F1381-S1383 VanDerWaalsContact C-N 3.27Å; F1381-S1383 PolarHBondContact O-N 3.13Å
1384Q45.1Very low53.6Low140 Ų14075.4 Ų75.465%0.65439%0.393SS*.  trans57.563.7-179.6-54.8-179.63200115.2
1385I51.3Low54.6Low64 Ų6477.8 Ų77.833%0.32841%0.405SS..  trans-101.4128.9159.2-63.9-179.8000108.8L1316 F1381L1316-I1385 HydrophobicContact CB-CG2 4.19Å; L1316-I1385 HydrophobicContact CD1-CD1 4.06Å; L1316-I1385 HydrophobicContact CD1-CG2 4.22Å; L1316-I1385 HydrophobicContact CG-CG2 4.05Å; F1381-I1385 VanDerWaalsContact O-CD1 3.28Å; F1381-I1385 WeakPolarHBondContact O-CD1 3.43Å
1386N57.6Low55.8Low97 Ų9777.9 Ų77.952%0.51941%0.405SS..  trans-83.4115168.7-74.2-33.8000109.3P1315 L1316P1315-N1386 WeakPolarHBondContact CA-O 3.39Å; P1315-N1386 WeakPolarHBondContact CB-O 3.19Å; L1316-N1386 PolarHBondContact N-O 3.31Å
1387L61.2Low56.8Low105 Ų10572.2 Ų72.255%0.5538%0.376SS..EExtended strand (participates in β ladder)trans-84.7116.6173.6-68.8168.7000109.5L1316 K1318L1316-L1387 HydrophobicContact CB-CD2 4.11Å; L1316-L1387 WeakPolarHBondContact O-CA 3.29Å; K1318-L1387 HydrophobicContact CB-CB 4.06Å; K1318-L1387 HydrophobicContact CG-CB 4.16Å; K1318-L1387 HydrophobicContact CG-CD1 4.34Å
1388L65Low57.7Low29 Ų2973.9 Ų73.915%0.15238%0.383CS..EExtended strand (participates in β ladder)trans-103160.4179.9-68-177.7000112.1P1315 L1316 K1318 I1397 A1400 F1460P1315-L1388 HydrophobicContact CB-CD1 3.57Å; P1315-L1388 HydrophobicContact CB-CG 3.83Å; P1315-L1388 HydrophobicContact CG-CD1 3.63Å; P1315-L1388 HydrophobicContact CG-CG 4.43Å; L1316-L1388 PolarHBondContact O-N 3.16Å; K1318-L1388 PolarHBondContact N-O 2.9Å; L1388-I1397 HydrophobicContact CD1-CB 4.42Å; L1388-I1397 HydrophobicContact CD1-CG1 3.8Å; L1388-A1400 HydrophobicContact CD1-CB 4.25Å; L1388-F1460 HydrophobicContact CB-CE2 4.08Å; L1388-F1460 HydrophobicContact CB-CZ 4.13Å; L1388-F1460 HydrophobicContact CD1-CE2 4.43Å; L1388-F1460 HydrophobicContact CD1-CZ 4.39Å
1389N64.1Low58.8Low89 Ų8976.4 Ų76.448%0.47641%0.405SS..PPolyproline II helixtrans-79.5144.9171.9-170.8-76.1000109N1391 S1392N1389-N1391 PolarHBondContact O-N 2.87Å; N1389-N1391 VanDerWaalsContact O-N 3.11Å; N1389-N1391 WeakPolarHBondContact OD1-CB 3.36Å; N1389-N1391 PolarHBondContact OD1-N 3.22Å; N1389-S1392 VanDerWaalsContact O-CB 3.31Å; N1389-S1392 WeakPolarHBondContact O-CB 3.41Å; N1389-S1392 PolarHBondContact O-N 3.47Å; N1389-S1392 PolarHBondContact O-OG 2.76Å
1390P60.3Low59.6Low38 Ų3873.6 Ų73.625%0.24739%0.387CS..THydrogen-bonded Turntrans-55.9-29.3176.721.8-33.8000113.3I1317 S1392 S1456 F1460I1317-P1390 HydrophobicContact CG2-CB 4.39Å; P1390-S1392 VanDerWaalsContact C-N 3.31Å; P1390-S1392 PolarHBondContact O-N 3Å; P1390-S1456 PolarHBondContact O-OG 2.99Å; P1390-F1460 WeakPolarHBondContact O-CD2 3.34Å
1391N62.7Low60Low120 Ų12070 Ų7064%0.64237%0.37SS*.THydrogen-bonded Turntrans-84.87.7178.2-60.3-39.4000114.4N1389 S1456N1389-N1391 PolarHBondContact O-N 2.87Å; N1389-N1391 VanDerWaalsContact O-N 3.11Å; N1389-N1391 WeakPolarHBondContact OD1-CB 3.36Å; N1389-N1391 PolarHBondContact OD1-N 3.22Å; N1391-S1456 PolarHBondContact OD1-OG 3.41Å
1392S68.9Low60.5Low18 Ų1869.8 Ų69.813%0.12637%0.374CS..  trans-63.1137.9178.8-76.80000112.4N1389 P1390N1389-S1392 VanDerWaalsContact O-CB 3.31Å; N1389-S1392 WeakPolarHBondContact O-CB 3.41Å; N1389-S1392 PolarHBondContact O-N 3.47Å; N1389-S1392 PolarHBondContact O-OG 2.76Å; P1390-S1392 VanDerWaalsContact C-N 3.31Å; P1390-S1392 PolarHBondContact O-N 3Å
1393S71.1Confident61Low52 Ų5269 Ų6936%0.36438%0.375SS..  trans-72.4155.4-178.268.90000112.5Q1395 E1396 I1397S1393-Q1395 PolarHBondContact O-N 3.2Å; S1393-Q1395 VanDerWaalsContact O-N 3.13Å; S1393-E1396 VanDerWaalsContact CB-OE2 3.28Å; S1393-E1396 WeakPolarHBondContact CB-OE2 2.99Å; S1393-E1396 PolarHBondContact N-OE2 3.02Å; S1393-E1396 PolarHBondContact O-N 2.91Å; S1393-E1396 VanDerWaalsContact OG-CD 3.23Å; S1393-E1396 WeakPolarHBondContact OG-CG 3.33Å; S1393-E1396 PolarHBondContact OG-N 2.99Å; S1393-E1396 PolarHBondContact OG-OE2 3.42Å; S1393-I1397 WeakPolarHBondContact O-CG1 3.4Å; S1393-I1397 PolarHBondContact O-N 3.04Å
1394L69.6Low60.9Low74 Ų7472.4 Ų72.439%0.38739%0.388SS..Hα-helixtrans-55.1-33.5176.8-168.9154.1000112.1F1398 N1463 L1466L1394-F1398 VanDerWaalsContact O-CB 3.3Å; L1394-F1398 WeakPolarHBondContact O-CB 3.24Å; L1394-F1398 PolarHBondContact O-N 3.44Å; L1394-N1463 HydrophobicContact CD1-CB 4.49Å; L1394-L1466 HydrophobicContact CD1-CD1 4.35Å
1395Q68.4Low60.3Low124 Ų12468.3 Ų68.358%0.57938%0.383SS*.Hα-helixtrans-71.2-36.9177.6-167.865.138.500112.9S1393 A1399S1393-Q1395 PolarHBondContact O-N 3.2Å; S1393-Q1395 VanDerWaalsContact O-N 3.13Å; Q1395-A1399 VanDerWaalsContact O-CB 3.32Å; Q1395-A1399 WeakPolarHBondContact O-CB 3.47Å; Q1395-A1399 PolarHBondContact O-N 3.4Å
1396E70.1Confident59.2Low109 Ų10973.3 Ų73.351%0.50941%0.409SS..Hα-helixtrans-71.5-41175-69.8159.7138.400111.2S1393 A1399 A1400S1393-E1396 VanDerWaalsContact CB-OE2 3.28Å; S1393-E1396 WeakPolarHBondContact CB-OE2 2.99Å; S1393-E1396 PolarHBondContact N-OE2 3.02Å; S1393-E1396 PolarHBondContact O-N 2.91Å; S1393-E1396 VanDerWaalsContact OG-CD 3.23Å; S1393-E1396 WeakPolarHBondContact OG-CG 3.33Å; S1393-E1396 PolarHBondContact OG-N 2.99Å; S1393-E1396 PolarHBondContact OG-OE2 3.42Å; E1396-A1399 PolarHBondContact O-N 3.38Å; E1396-A1400 WeakPolarHBondContact O-CB 3.38Å; E1396-A1400 PolarHBondContact O-N 3.33Å
1397I67Low57.7Low0 Ų073.6 Ų73.60%042%0.419CS..Hα-helixtrans-56.9-52.8171.9-68.1165.8000109.6P1315 L1388 S1393 A1399 A1400 F1401 F1460 N1463 V1464P1315-I1397 HydrophobicContact CG-CG2 4.38Å; L1388-I1397 HydrophobicContact CD1-CB 4.42Å; L1388-I1397 HydrophobicContact CD1-CG1 3.8Å; S1393-I1397 WeakPolarHBondContact O-CG1 3.4Å; S1393-I1397 PolarHBondContact O-N 3.04Å; I1397-A1399 VanDerWaalsContact C-N 3.32Å; I1397-A1399 PolarHBondContact O-N 3.22Å; I1397-A1400 WeakPolarHBondContact O-CB 3.36Å; I1397-A1400 PolarHBondContact O-N 2.95Å; I1397-A1400 VanDerWaalsContact O-N 3.17Å; I1397-F1401 HydrophobicContact CG2-CD2 3.98Å; I1397-F1401 HydrophobicContact CG2-CE2 3.74Å; I1397-F1401 VanDerWaalsContact O-CD2 3.22Å; I1397-F1401 WeakPolarHBondContact O-CD2 3.49Å; I1397-F1401 PolarHBondContact O-N 3.06Å; I1397-F1401 VanDerWaalsContact O-N 3.14Å; I1397-F1460 HydrophobicContact CD1-CD2 3.95Å; I1397-F1460 HydrophobicContact CD1-CE2 3.82Å; I1397-F1460 HydrophobicContact CD1-CZ 4.49Å; I1397-F1460 HydrophobicContact CG1-CE2 4.1Å; I1397-N1463 HydrophobicContact CD1-CB 3.86Å; I1397-V1464 HydrophobicContact CD1-CG2 4.44Å; I1397-V1464 HydrophobicContact CG2-CG2 3.92Å
1398F65.2Low56.2Low51 Ų5176.1 Ų76.122%0.22443%0.432CS..Hα-helixtrans-65-30.9179.3-168.7-94.4000113.5L1394 F1401 Q1470L1394-F1398 VanDerWaalsContact O-CB 3.3Å; L1394-F1398 WeakPolarHBondContact O-CB 3.24Å; L1394-F1398 PolarHBondContact O-N 3.44Å; F1398-F1401 WeakPolarHBondContact O-CB 2.99Å; F1398-Q1470 HydrophobicContact CE2-CB 4.18Å; F1398-Q1470 HydrophobicContact CE2-CG 4.03Å; F1398-Q1470 HydrophobicContact CZ-CG 4.46Å
1399A66Low54.5Low62 Ų6280.5 Ų80.551%0.51246%0.46SS..Hα-helixtrans-69.1-41.8171.900000112Q1395 E1396 I1397 F1401 S1402Q1395-A1399 VanDerWaalsContact O-CB 3.32Å; Q1395-A1399 WeakPolarHBondContact O-CB 3.47Å; Q1395-A1399 PolarHBondContact O-N 3.4Å; E1396-A1399 PolarHBondContact O-N 3.38Å; I1397-A1399 VanDerWaalsContact C-N 3.32Å; I1397-A1399 PolarHBondContact O-N 3.22Å; A1399-F1401 PolarHBondContact O-N 2.99Å; A1399-S1402 PolarHBondContact O-N 3.38Å; A1399-S1402 VanDerWaalsContact O-N 3.12Å
1400A63.2Low52.6Low29 Ų2980.2 Ų80.224%0.2447%0.465CS..Hα-helixtrans-63.1-27.8176.900000113.1L1388 E1396 I1397 S1402L1388-A1400 HydrophobicContact CD1-CB 4.25Å; E1396-A1400 WeakPolarHBondContact O-CB 3.38Å; E1396-A1400 PolarHBondContact O-N 3.33Å; I1397-A1400 WeakPolarHBondContact O-CB 3.36Å; I1397-A1400 PolarHBondContact O-N 2.95Å; I1397-A1400 VanDerWaalsContact O-N 3.17Å; A1400-S1402 VanDerWaalsContact C-N 3.35Å
1401F56.5Low51.1Low10 Ų1088 Ų884%0.04450%0.498CS..THydrogen-bonded Turntrans-70-21.6173.8-92.5-69.7000115R1313 I1314 P1315 I1397 F1398 A1399 V1464 S1467 A1468 I1471R1313-F1401 VanDerWaalsContact O-CD1 3.29Å; R1313-F1401 WeakPolarHBondContact O-CD1 3.21Å; I1314-F1401 HydrophobicContact CB-CE1 4.18Å; I1314-F1401 HydrophobicContact CB-CZ 4.26Å; I1314-F1401 HydrophobicContact CG1-CE1 3.59Å; I1314-F1401 HydrophobicContact CG1-CZ 3.74Å; P1315-F1401 HydrophobicContact CG-CE2 4.45Å; I1397-F1401 HydrophobicContact CG2-CD2 3.98Å; I1397-F1401 HydrophobicContact CG2-CE2 3.74Å; I1397-F1401 VanDerWaalsContact O-CD2 3.22Å; I1397-F1401 WeakPolarHBondContact O-CD2 3.49Å; I1397-F1401 PolarHBondContact O-N 3.06Å; I1397-F1401 VanDerWaalsContact O-N 3.14Å; F1398-F1401 WeakPolarHBondContact O-CB 2.99Å; A1399-F1401 PolarHBondContact O-N 2.99Å; F1401-V1464 HydrophobicContact CE2-CG1 4.23Å; F1401-V1464 HydrophobicContact CZ-CG1 3.95Å; F1401-S1467 VanDerWaalsContact CE2-CB 3.43Å; F1401-A1468 HydrophobicContact CZ-CB 4.43Å; F1401-I1471 HydrophobicContact CB-CD1 4.05Å; F1401-I1471 HydrophobicContact CD1-CD1 3.35Å; F1401-I1471 HydrophobicContact CE1-CD1 3.77Å; F1401-I1471 HydrophobicContact CG-CD1 3.77Å
1402S57.8Low49.3Very low40 Ų4087.7 Ų87.728%0.2850%0.501SS..  trans-138.694.6-161.2176.10000113.5A1399 A1400 N1404 G1405A1399-S1402 PolarHBondContact O-N 3.38Å; A1399-S1402 VanDerWaalsContact O-N 3.12Å; A1400-S1402 VanDerWaalsContact C-N 3.35Å; S1402-N1404 PolarHBondContact O-N 2.97Å; S1402-N1404 VanDerWaalsContact O-N 3.11Å; S1402-G1405 PolarHBondContact O-N 2.84Å; S1402-G1405 WeakPolarHBondContact OG-CA 3.15Å; S1402-G1405 PolarHBondContact OG-N 2.78Å; S1402-G1405 VanDerWaalsContact OG-N 3.12Å
1403K51.1Low47.4Very low133 Ų13394.5 Ų94.558%0.57853%0.534SS*.THydrogen-bonded Turntrans-53.9-28.8170.5-66.4-177.4-178.3178.90113.2E1310E1310-K1403 IonicContact OE1-NZ 3.91Å; E1310-K1403 PolarHBondContact OE1-NZ 3.02Å
1404N36.3Very low45.3Very low137 Ų13797.3 Ų97.373%0.73355%0.554SS**THydrogen-bonded Turntrans-12154.3-178.2-72.2-42.1000112.7S1402 L1406S1402-N1404 PolarHBondContact O-N 2.97Å; S1402-N1404 VanDerWaalsContact O-N 3.11Å; N1404-L1406 PolarHBondContact O-N 3.07Å
1405G32.9Very low43.2Very low53 Ų5399.3 Ų99.355%0.54657%0.574SS.*  trans-68115.5177.900000113.1S1402S1402-G1405 PolarHBondContact O-N 2.84Å; S1402-G1405 WeakPolarHBondContact OG-CA 3.15Å; S1402-G1405 PolarHBondContact OG-N 2.78Å; S1402-G1405 VanDerWaalsContact OG-N 3.12Å
1406L28.8Very low41.2Very low169 Ų169100.3 Ų100.389%0.88558%0.584SS**  trans-62.2137.2170.3-88.680.6000110.7N1404 L1408N1404-L1406 PolarHBondContact O-N 3.07Å; L1406-L1408 PolarHBondContact O-N 3.09Å
1407S25.7Very low39.2Very low103 Ų103101.1 Ų101.172%0.7260%0.598SS**  trans-69.3112.9-175.7-173.10000112.4T1409S1407-T1409 PolarHBondContact O-N 2.66Å
1408L28.9Very low37.5Very low159 Ų159107 Ų10783%0.83264%0.636SS**  trans-69.594.5161.5-88.2165.4000108.9L1406 S1410L1406-L1408 PolarHBondContact O-N 3.09Å; L1408-S1410 PolarHBondContact O-N 2.8Å
1409T29.7Very low35.7Very low120 Ų120112 Ų11274%0.73667%0.665SS**  trans-68.599.9-175.852.90000112.3S1407S1407-T1409 PolarHBondContact O-N 2.66Å
1410S25.3Very low34.2Very low84 Ų84116 Ų11659%0.58767%0.673SS**  trans23.497.7153.9170.60000117L1408 T1412L1408-S1410 PolarHBondContact O-N 2.8Å; S1410-T1412 PolarHBondContact OG-OG1 2.98Å
1411Q27.4Very low32.6Very low201 Ų201123.3 Ų123.394%0.93970%0.7SS**  trans-97.993.8140-75.7-162.6-1.400109.5
1412T24.9Very low31.1Very low114 Ų114126.8 Ų126.870%0.69974%0.738SS**  trans-90.6112.7166.633.30000109.3S1410S1410-T1412 PolarHBondContact OG-OG1 2.98Å
1413I30Very low29.7Very low160 Ų160129.8 Ų129.882%0.82177%0.765SS**  trans-171.5102.4151.8-89.8141.7000103.2
1414S26.1Very low28.6Very low111 Ų111133 Ų13378%0.77678%0.78SS**  64.386.357.9-175.70000114.3
1415S25.7Very low28.5Very low116 Ų116132.5 Ų132.581%0.81178%0.783SS**  trans-146.8124.9141.5590000111
1416N27.6Very low28.2Very low146 Ų146133.7 Ų133.778%0.78180%0.796SS**PPolyproline II helixtrans-68.1157.3168.4-69.8-25.6000110.7P1418N1416-P1418 WeakPolarHBondContact O-CD 3.29Å
1417P28.1Very low28Very low126 Ų126130.5 Ų130.582%0.81879%0.794SS**PPolyproline II helixtrans-66.6132.9159.930.1-33.7000110.2
1418P30.5Very low28.1Very low123 Ų123132.7 Ų132.780%0.79980%0.802SS**PPolyproline II helixtrans-103.7151.1167.536-28.4000111.8N1416N1416-P1418 WeakPolarHBondContact O-CD 3.29Å
1419N28.3Very low27.9Very low155 Ų155134.4 Ų134.483%0.82980%0.803SS**PPolyproline II helixtrans-67.6164.6176-95.8-45.7000113.6
1420Q33.4Very low27.6Very low146 Ų146133.1 Ų133.168%0.68281%0.805SS**  trans-25.6140.7146.8-65.1-178.63700113.3
1421K29.4Very low27.6Very low184 Ų184136.4 Ų136.480%0.882%0.816SS**  cis-159.6146.115.9-108.6147.1178.31540110.7
1422G25.5Very low27.5Very low82 Ų82131.7 Ų131.785%0.84581%0.805SS**  trans9386.513700000121.1
1423A28.3Very low27.6Very low103 Ų103133.3 Ų133.385%0.85181%0.808SS**  trans-160.7157.4141.900000111.3
1424K28Very low27.6Very low202 Ų202134.9 Ų134.988%0.87881%0.812SS**  trans-134.4171.3175.4-78.5-173.8179-178.70108.4
1425P34.1Very low27.6Very low125 Ų125138.4 Ų138.481%0.81282%0.816SS**  cis-130.2176.8-41.437.9-23000111.7
1426G27.4Very low27.6Very low79 Ų79141.8 Ų141.881%0.81482%0.816SS**  trans176.2143.816700000113.3
1427A24.2Very low27.7Very low102 Ų102141.8 Ų141.884%0.84382%0.821SS**  trans-140.4148.7-179.500000111.4
1428V27.2Very low27.7Very low148 Ų148141 Ų14190%0.89781%0.809SS**  trans-170.4161.3145.5134.50000110.4
1429K24Very low27.8Very low196 Ų196137.2 Ų137.285%0.85278%0.781SS**  trans-86.3155.1-170.3-48161.9-176.3175.20112.3
1430A24.1Very low28.1Very low92 Ų92135.1 Ų135.176%0.7678%0.779SS**  158137.1106.500000115.4
1431N24.5Very low28.1Very low154 Ų154131.4 Ų131.482%0.82476%0.764SS**  trans8.3142.1146.7-58.86.5000119.4
1432S26.8Very low28.4Very low102 Ų102124.6 Ų124.671%0.71374%0.738SS**  -165.3141.665.237.60000117.2
1433I25.6Very low28.9Very low147 Ų147126.9 Ų126.975%0.75473%0.73SS**  trans46.4109.1132.2-49.7168.6000118.3
1434Q30.3Very low29.6Very low194 Ų194127.3 Ų127.391%0.90772%0.718SS**  trans-130.7150.2140.7-73.9-171.4-25.600108.4
1435E27.6Very low30.3Very low184 Ų184120 Ų12086%0.8669%0.688SS**  trans-83136.7-163.3-68.3165.8112.300113.8
1436K25.6Very low30.9Very low187 Ų187117.9 Ų117.981%0.81367%0.67SS**  trans-85.2115.8164.6-87.8-173.7171.6-175.50109.3I1438K1436-I1438 HydrophobicContact CB-CD1 4.4Å; K1436-I1438 HydrophobicContact CB-CG1 4.14Å; K1436-I1438 HydrophobicContact CD-CD1 4.38Å
1437V29Very low31.9Very low146 Ų146114.6 Ų114.689%0.88563%0.633SS**  trans-96.7122.9159.7-179.40000108
1438I28Very low32.8Very low111 Ų111110.3 Ų110.357%0.56960%0.596SS**  trans-108111.9-166-64.6176.4000109.8K1436K1436-I1438 HydrophobicContact CB-CD1 4.4Å; K1436-I1438 HydrophobicContact CB-CG1 4.14Å; K1436-I1438 HydrophobicContact CD-CD1 4.38Å
1439L33.3Very low33.6Very low42 Ų42113.3 Ų113.322%0.2260%0.597CS.*  trans-66.3133.5148.1-116.9166.1000107.1N1441 P1442 Q1477L1439-N1441 VanDerWaalsContact C-N 3.32Å; L1439-N1441 PolarHBondContact O-N 3.49Å; L1439-P1442 WeakPolarHBondContact O-CD 3.48Å; L1439-Q1477 HydrophobicContact CD1-CG 4.09Å
1440S33.5Very low34.7Very low111 Ų111106.1 Ų106.178%0.77657%0.57SS**SBendtrans-55.687.2-175.6-52.20000112.5
1441N33.6Very low35.9Very low68 Ų68106.7 Ų106.736%0.36457%0.565SS.*  trans2683.8-174.9-72.51.6000117L1439 I1443 N1444L1439-N1441 VanDerWaalsContact C-N 3.32Å; L1439-N1441 PolarHBondContact O-N 3.49Å; N1441-I1443 PolarHBondContact O-N 2.84Å; N1441-I1443 VanDerWaalsContact O-N 3.17Å; N1441-N1444 HydrophobicContact CB-CB 3.82Å; N1441-N1444 WeakPolarHBondContact CB-OD1 3.37Å; N1441-N1444 PolarHBondContact ND2-OD1 3.38Å; N1441-N1444 WeakPolarHBondContact O-CB 3.35Å; N1441-N1444 PolarHBondContact O-N 3.19Å
1442P36.4Very low37.2Very low41 Ų41104.1 Ų104.127%0.26656%0.557SS.*G310 helixtrans-57.7-20.8151.827.2-34.6000111.6L1439 N1444 L1445 L1446 L1473L1439-P1442 WeakPolarHBondContact O-CD 3.48Å; P1442-N1444 PolarHBondContact O-N 2.92Å; P1442-L1445 WeakPolarHBondContact O-CB 3.39Å; P1442-L1445 PolarHBondContact O-N 3.43Å; P1442-L1446 PolarHBondContact O-N 3Å; P1442-L1473 HydrophobicContact CB-CD2 4.23Å
1443I35.7Very low38.6Very low130 Ų130101.5 Ų101.567%0.66754%0.538SS*.G310 helixtrans-64.2-21.1170.5-61.1173.6000112.4N1441N1441-I1443 PolarHBondContact O-N 2.84Å; N1441-I1443 VanDerWaalsContact O-N 3.17Å
1444N42.4Very low40.2Very low113 Ų113102 Ų10260%0.60455%0.549SS*.G310 helixtrans-86-10.7172-70.311000112.5N1441 P1442N1441-N1444 HydrophobicContact CB-CB 3.82Å; N1441-N1444 WeakPolarHBondContact CB-OD1 3.37Å; N1441-N1444 PolarHBondContact ND2-OD1 3.38Å; N1441-N1444 WeakPolarHBondContact O-CB 3.35Å; N1441-N1444 PolarHBondContact O-N 3.19Å; P1442-N1444 PolarHBondContact O-N 2.92Å
1445L44Very low42Very low47 Ų4794.7 Ų94.725%0.24652%0.515CS..THydrogen-bonded Turntrans-93.8-11.6175-78.9160.3000112.6P1442 L1447 A1573P1442-L1445 WeakPolarHBondContact O-CB 3.39Å; P1442-L1445 PolarHBondContact O-N 3.43Å; L1445-L1447 WeakPolarHBondContact O-CD1 3.43Å; L1445-L1447 PolarHBondContact O-N 2.75Å; L1445-A1573 HydrophobicContact CD1-CB 4.44Å
1446L44.9Very low44.1Very low82 Ų8287.6 Ų87.643%0.42949%0.486SS..  trans-80.898.7157.6-80.794.9000108.9P1442 D1448P1442-L1446 PolarHBondContact O-N 3Å; L1446-D1448 PolarHBondContact O-N 3.46Å
1447L49.9Very low46.3Very low9 Ų979.9 Ų79.95%0.04746%0.456CS..  trans-69-15.1177.5-77.974000113.6F559 K560 L1445F559-L1447 HydrophobicContact CD1-CD2 3.68Å; F559-L1447 HydrophobicContact CD2-CB 4.19Å; F559-L1447 HydrophobicContact CE1-CD2 3.45Å; F559-L1447 VanDerWaalsContact CE1-CD2 3.45Å; F559-L1447 HydrophobicContact CE2-CB 4.24Å; F559-L1447 HydrophobicContact CE2-CD2 4.46Å; F559-L1447 HydrophobicContact CG-CB 4.35Å; F559-L1447 HydrophobicContact CG-CD2 4.29Å; F559-L1447 HydrophobicContact CZ-CB 4.46Å; F559-L1447 HydrophobicContact CZ-CD2 3.89Å; K560-L1447 PolarHBondContact N-O 3.25Å; K560-L1447 WeakPolarHBondContact O-CD2 3.49Å; K560-L1447 VanDerWaalsContact O-CG 3.28Å; K560-L1447 WeakPolarHBondContact O-CG 3.36Å; L1445-L1447 WeakPolarHBondContact O-CD1 3.43Å; L1445-L1447 PolarHBondContact O-N 2.75Å
1448D43.3Very low48.6Very low13 Ų1373.4 Ų73.47%0.0742%0.416CS..  trans-112.7151.6-175.9-72-38.2000113.2F559 L1446 P1450 R1583F559-D1448 WeakPolarHBondContact CD2-OD1 3.04Å; L1446-D1448 PolarHBondContact O-N 3.46Å; D1448-P1450 HydrophobicContact CB-CG 4.43Å; D1448-P1450 WeakPolarHBondContact O-CD 3.35Å; D1448-R1583 IonicContact OD2-CZ 2.87Å; D1448-R1583 IonicContact OD2-NH1 3.72Å; D1448-R1583 PolarHBondContact OD2-NH1 3.04Å; D1448-R1583 IonicContact OD2-NH2 3.56Å; D1448-R1583 PolarHBondContact OD2-NH2 2.77Å
1449K42.3Very low51Low210 Ų21071.9 Ų71.991%0.91341%0.406SS*.  trans-11278.8155.9-70.3-178.5179.2177.70109.3
1450P48.8Very low53.3Low45 Ų4569.9 Ų69.929%0.29240%0.396SS..PPolyproline II helixtrans-80.5139.4-17031.8-33.1000112.2D1448 Y1462D1448-P1450 HydrophobicContact CB-CG 4.43Å; D1448-P1450 WeakPolarHBondContact O-CD 3.35Å; P1450-Y1462 HydrophobicContact CG-CE2 3.77Å
1451T47.8Very low55.5Low104 Ų10464.6 Ų64.664%0.63836%0.359SS*.PPolyproline II helixtrans-71.9137.4154.446.30000109S1453T1451-S1453 PolarHBondContact O-N 3.03Å
1452P52.9Low57.7Low101 Ų10164.3 Ų64.366%0.65635%0.353SS*.PPolyproline II helixtrans-62.4132.7175.126.9-33.7000110.3
1453S56.8Low59.8Low47 Ų4763.6 Ų63.633%0.32935%0.347SS..PPolyproline II helixtrans-63.6144.6172.6520000110.7T1451 D1455T1451-S1453 PolarHBondContact O-N 3.03Å; S1453-D1455 PolarHBondContact O-N 2.96Å; S1453-D1455 PolarHBondContact OG-O 3.19Å
1454T58.8Low61.9Low158 Ų15857.4 Ų57.497%0.96932%0.316SS*.SBendtrans-69.2-16.7172.641.30000113.4
1455D67.1Low63.7Low39 Ų3952.3 Ų52.321%0.20929%0.288CS..  trans-83.4121.8177.9-169.2-80.7000112.2S1453 S1457 I1458 Q1459 Q1594S1453-D1455 PolarHBondContact O-N 2.96Å; S1453-D1455 PolarHBondContact OG-O 3.19Å; D1455-S1457 VanDerWaalsContact C-N 3.35Å; D1455-S1457 PolarHBondContact O-N 2.69Å; D1455-S1457 WeakPolarHBondContact OD1-CA 3.5Å; D1455-S1457 WeakPolarHBondContact OD1-CB 3.37Å; D1455-S1457 PolarHBondContact OD1-N 3.23Å; D1455-S1457 PolarHBondContact OD1-OG 2.97Å; D1455-I1458 HydrophobicContact CB-CB 4.34Å; D1455-I1458 HydrophobicContact CB-CD1 4.23Å; D1455-I1458 HydrophobicContact CB-CG1 4.22Å; D1455-I1458 PolarHBondContact O-N 3.43Å; D1455-I1458 PolarHBondContact OD1-N 3.06Å; D1455-I1458 VanDerWaalsContact OD1-N 3.11Å; D1455-Q1459 WeakPolarHBondContact O-CB 3.48Å; D1455-Q1459 PolarHBondContact O-N 3.29Å; D1455-Q1594 PolarHBondContact OD2-NE2 2.87Å
1456S72.7Confident65.3Low35 Ų3552.5 Ų52.525%0.24529%0.289CS..Hα-helixtrans-60.8-39.9-179.6-179.60000112.7P1390 N1391 Q1459 F1460P1390-S1456 PolarHBondContact O-OG 2.99Å; N1391-S1456 PolarHBondContact OD1-OG 3.41Å; S1456-Q1459 CarbonylContact O-C 3.51Å; S1456-Q1459 PolarHBondContact O-N 3.46Å; S1456-F1460 PolarHBondContact O-N 3.04Å
1457S72.2Confident66.8Low25 Ų2548.7 Ų48.718%0.17527%0.269CS..Hα-helixtrans-64.5-42.5-179.3-7.60000112I1257 D1455 L1461I1257-S1457 VanDerWaalsContact CD1-CB 3.42Å; D1455-S1457 VanDerWaalsContact C-N 3.35Å; D1455-S1457 PolarHBondContact O-N 2.69Å; D1455-S1457 WeakPolarHBondContact OD1-CA 3.5Å; D1455-S1457 WeakPolarHBondContact OD1-CB 3.37Å; D1455-S1457 PolarHBondContact OD1-N 3.23Å; D1455-S1457 PolarHBondContact OD1-OG 2.97Å; S1457-L1461 PolarHBondContact O-N 3.47Å
1458I76.9Confident68.3Low11 Ų1148.3 Ų48.36%0.05627%0.267CS..Hα-helixtrans-71.4-36.2174.9-58.2179.8000110.5D1455 F1460 L1461 Y1462 L1590 S1591D1455-I1458 HydrophobicContact CB-CB 4.34Å; D1455-I1458 HydrophobicContact CB-CD1 4.23Å; D1455-I1458 HydrophobicContact CB-CG1 4.22Å; D1455-I1458 PolarHBondContact O-N 3.43Å; D1455-I1458 PolarHBondContact OD1-N 3.06Å; D1455-I1458 VanDerWaalsContact OD1-N 3.11Å; I1458-F1460 VanDerWaalsContact C-N 3.34Å; I1458-F1460 PolarHBondContact O-N 2.99Å; I1458-L1461 PolarHBondContact O-N 3.11Å; I1458-Y1462 PolarHBondContact O-N 2.94Å; I1458-Y1462 VanDerWaalsContact O-N 3.14Å; I1458-L1590 HydrophobicContact CD1-CB 4.14Å; I1458-L1590 HydrophobicContact CG1-CB 4.18Å; I1458-L1590 HydrophobicContact CG1-CD1 4.35Å; I1458-S1591 WeakPolarHBondContact CD1-OG 3.3Å
1459Q78.2Confident70Confident78 Ų7848.9 Ų48.936%0.36427%0.27SS..Hα-helixtrans-66.1-33.5175.6-166.4176.112.600112.7D1455 S1456 Y1462 N1463D1455-Q1459 WeakPolarHBondContact O-CB 3.48Å; D1455-Q1459 PolarHBondContact O-N 3.29Å; S1456-Q1459 CarbonylContact O-C 3.51Å; S1456-Q1459 PolarHBondContact O-N 3.46Å; Q1459-Y1462 WeakPolarHBondContact O-CB 3.25Å; Q1459-Y1462 PolarHBondContact O-N 3.04Å; Q1459-N1463 WeakPolarHBondContact O-CB 3.13Å; Q1459-N1463 PolarHBondContact O-N 3.33Å; Q1459-N1463 PolarHBondContact O-ND2 3.4Å
1460F80.9Confident71.7Confident1 Ų142.7 Ų42.70%0.00424%0.244CC..Hα-helixtrans-62-49.2173.1-174-86.2000111.4L1261 I1317 L1388 P1390 I1397 S1456 I1458 Y1462 N1463 V1464L1261-F1460 HydrophobicContact CD1-CD1 4.34Å; L1261-F1460 HydrophobicContact CD1-CE1 3.9Å; I1317-F1460 HydrophobicContact CD1-CB 4.3Å; I1317-F1460 HydrophobicContact CD1-CD1 3.61Å; I1317-F1460 HydrophobicContact CD1-CE1 4.08Å; I1317-F1460 HydrophobicContact CD1-CG 3.98Å; I1317-F1460 HydrophobicContact CG1-CD1 3.56Å; I1317-F1460 HydrophobicContact CG1-CE1 3.48Å; I1317-F1460 VanDerWaalsContact CG1-CE1 3.48Å; I1317-F1460 HydrophobicContact CG1-CE2 4.47Å; I1317-F1460 HydrophobicContact CG1-CG 4.12Å; I1317-F1460 HydrophobicContact CG1-CZ 3.97Å; L1388-F1460 HydrophobicContact CB-CE2 4.08Å; L1388-F1460 HydrophobicContact CB-CZ 4.13Å; L1388-F1460 HydrophobicContact CD1-CE2 4.43Å; L1388-F1460 HydrophobicContact CD1-CZ 4.39Å; P1390-F1460 WeakPolarHBondContact O-CD2 3.34Å; I1397-F1460 HydrophobicContact CD1-CD2 3.95Å; I1397-F1460 HydrophobicContact CD1-CE2 3.82Å; I1397-F1460 HydrophobicContact CD1-CZ 4.49Å; I1397-F1460 HydrophobicContact CG1-CE2 4.1Å; S1456-F1460 PolarHBondContact O-N 3.04Å; I1458-F1460 VanDerWaalsContact C-N 3.34Å; I1458-F1460 PolarHBondContact O-N 2.99Å; F1460-Y1462 VanDerWaalsContact C-N 3.25Å; F1460-Y1462 PolarHBondContact O-N 3.26Å; F1460-N1463 PolarHBondContact O-N 3.31Å; F1460-N1463 VanDerWaalsContact O-N 3.14Å; F1460-V1464 HydrophobicContact CD1-CG2 3.87Å; F1460-V1464 HydrophobicContact CE1-CG2 3.51Å; F1460-V1464 HydrophobicContact CZ-CG2 3.95Å; F1460-V1464 WeakPolarHBondContact O-CG2 3.31Å; F1460-V1464 PolarHBondContact O-N 3Å
1461L80.6Confident73.1Confident0 Ų041.3 Ų41.30%023%0.234CC..Hα-helixtrans-56.6-40175.9-179.563.5000111.7L1261 L1264 S1457 I1458 F1465 L1590L1261-L1461 HydrophobicContact CD2-CD1 3.72Å; L1261-L1461 HydrophobicContact CG-CD1 4.23Å; L1264-L1461 HydrophobicContact CD1-CD1 4.18Å; S1457-L1461 PolarHBondContact O-N 3.47Å; I1458-L1461 PolarHBondContact O-N 3.11Å; L1461-F1465 WeakPolarHBondContact O-CB 3.38Å; L1461-F1465 PolarHBondContact O-N 3.24Å; L1461-L1590 HydrophobicContact CD2-CD1 4.18Å
1462Y79.3Confident74.7Confident62 Ų6236.5 Ų36.524%0.24320%0.204CC..Hα-helixtrans-65-46.1174.9-177.7-92.6000112.9P1450 I1458 Q1459 F1460 V1464 F1465 L1466P1450-Y1462 HydrophobicContact CG-CE2 3.77Å; I1458-Y1462 PolarHBondContact O-N 2.94Å; I1458-Y1462 VanDerWaalsContact O-N 3.14Å; Q1459-Y1462 WeakPolarHBondContact O-CB 3.25Å; Q1459-Y1462 PolarHBondContact O-N 3.04Å; F1460-Y1462 VanDerWaalsContact C-N 3.25Å; F1460-Y1462 PolarHBondContact O-N 3.26Å; Y1462-V1464 VanDerWaalsContact C-N 3.35Å; Y1462-V1464 PolarHBondContact O-N 3Å; Y1462-F1465 PolarHBondContact O-N 3.03Å; Y1462-L1466 HydrophobicContact CD1-CD1 4.05Å; Y1462-L1466 HydrophobicContact CD1-CG 4.48Å; Y1462-L1466 HydrophobicContact CE1-CD1 3.41Å; Y1462-L1466 VanDerWaalsContact CE1-CD1 3.41Å; Y1462-L1466 HydrophobicContact CE1-CG 4.08Å; Y1462-L1466 PolarHBondContact O-N 3.07Å; Y1462-L1466 VanDerWaalsContact O-N 3.08Å
1463N79.8Confident76Confident26 Ų2633.7 Ų33.714%0.13918%0.184CC..Hα-helixtrans-64.2-38178.5-70.4-20.8000112.3L1394 I1397 Q1459 F1460 S1467L1394-N1463 HydrophobicContact CD1-CB 4.49Å; I1397-N1463 HydrophobicContact CD1-CB 3.86Å; Q1459-N1463 WeakPolarHBondContact O-CB 3.13Å; Q1459-N1463 PolarHBondContact O-N 3.33Å; Q1459-N1463 PolarHBondContact O-ND2 3.4Å; F1460-N1463 PolarHBondContact O-N 3.31Å; F1460-N1463 VanDerWaalsContact O-N 3.14Å; N1463-S1467 WeakPolarHBondContact O-CB 3.39Å; N1463-S1467 PolarHBondContact O-N 3.18Å; N1463-S1467 VanDerWaalsContact O-N 3.11Å; N1463-S1467 PolarHBondContact O-OG 3Å
1464V79.8Confident77.2Confident0 Ų034.7 Ų34.70%019%0.186CC..Hα-helixtrans-67.7-44.5174.8174.60000111.4L1261 I1314 I1397 F1401 F1460 Y1462 L1466 S1467 A1468L1261-V1464 HydrophobicContact CD2-CB 3.91Å; L1261-V1464 HydrophobicContact CD2-CG1 3.68Å; L1261-V1464 HydrophobicContact CD2-CG2 4.17Å; I1314-V1464 HydrophobicContact CG2-CG1 3.75Å; I1397-V1464 HydrophobicContact CD1-CG2 4.44Å; I1397-V1464 HydrophobicContact CG2-CG2 3.92Å; F1401-V1464 HydrophobicContact CE2-CG1 4.23Å; F1401-V1464 HydrophobicContact CZ-CG1 3.95Å; F1460-V1464 HydrophobicContact CD1-CG2 3.87Å; F1460-V1464 HydrophobicContact CE1-CG2 3.51Å; F1460-V1464 HydrophobicContact CZ-CG2 3.95Å; F1460-V1464 WeakPolarHBondContact O-CG2 3.31Å; F1460-V1464 PolarHBondContact O-N 3Å; Y1462-V1464 VanDerWaalsContact C-N 3.35Å; Y1462-V1464 PolarHBondContact O-N 3Å; V1464-L1466 VanDerWaalsContact C-N 3.34Å; V1464-L1466 PolarHBondContact O-N 3.35Å; V1464-S1467 WeakPolarHBondContact O-CB 3.34Å; V1464-S1467 PolarHBondContact O-N 2.96Å; V1464-S1467 VanDerWaalsContact O-N 3.11Å; V1464-A1468 PolarHBondContact O-N 2.72Å
1465F81.2Confident78.3Confident5 Ų530.2 Ų30.22%0.02215%0.154CC..Hα-helixtrans-54-47.4174158.3-94.2000112.1L1461 Y1462 S1467 A1468 M1469 F1579 R1583L1461-F1465 WeakPolarHBondContact O-CB 3.38Å; L1461-F1465 PolarHBondContact O-N 3.24Å; Y1462-F1465 PolarHBondContact O-N 3.03Å; F1465-S1467 VanDerWaalsContact C-N 3.32Å; F1465-S1467 PolarHBondContact O-N 3.29Å; F1465-A1468 PolarHBondContact O-N 2.79Å; F1465-M1469 HydrophobicContact CD2-CG 4.35Å; F1465-M1469 HydrophobicContact CE1-CG 4.45Å; F1465-M1469 HydrophobicContact CE2-CG 3.92Å; F1465-M1469 HydrophobicContact CZ-CG 3.97Å; F1465-M1469 WeakPolarHBondContact O-CB 3.49Å; F1465-M1469 WeakPolarHBondContact O-CG 3.44Å; F1465-M1469 PolarHBondContact O-N 2.91Å; F1465-F1579 HydrophobicContact CD2-CB 3.9Å; F1465-F1579 HydrophobicContact CE2-CB 3.74Å; F1465-R1583 HydrophobicContact CD2-CB 4.12Å; F1465-R1583 HydrophobicContact CG-CB 4.31Å; F1465-R1583 HydrophobicContact CG-CG 4.4Å
1466L77.6Confident79.1Confident52 Ų5229 Ų2927%0.27215%0.147SC..Hα-helixtrans-62.8-38.7177.2-70.9-177.8000112.4L1394 Y1462 V1464 M1469 Q1470L1394-L1466 HydrophobicContact CD1-CD1 4.35Å; Y1462-L1466 HydrophobicContact CD1-CD1 4.05Å; Y1462-L1466 HydrophobicContact CD1-CG 4.48Å; Y1462-L1466 HydrophobicContact CE1-CD1 3.41Å; Y1462-L1466 VanDerWaalsContact CE1-CD1 3.41Å; Y1462-L1466 HydrophobicContact CE1-CG 4.08Å; Y1462-L1466 PolarHBondContact O-N 3.07Å; Y1462-L1466 VanDerWaalsContact O-N 3.08Å; V1464-L1466 VanDerWaalsContact C-N 3.34Å; V1464-L1466 PolarHBondContact O-N 3.35Å; L1466-M1469 PolarHBondContact O-N 2.8Å; L1466-Q1470 PolarHBondContact O-N 3.48Å
1467S77Confident79.4Confident2 Ų230.6 Ų30.61%0.01415%0.151CC..Hα-helixtrans-66.6-44.5178.7-580000111.8F1401 N1463 V1464 F1465 Q1470 I1471F1401-S1467 VanDerWaalsContact CE2-CB 3.43Å; N1463-S1467 WeakPolarHBondContact O-CB 3.39Å; N1463-S1467 PolarHBondContact O-N 3.18Å; N1463-S1467 VanDerWaalsContact O-N 3.11Å; N1463-S1467 PolarHBondContact O-OG 3Å; V1464-S1467 WeakPolarHBondContact O-CB 3.34Å; V1464-S1467 PolarHBondContact O-N 2.96Å; V1464-S1467 VanDerWaalsContact O-N 3.11Å; F1465-S1467 VanDerWaalsContact C-N 3.32Å; F1465-S1467 PolarHBondContact O-N 3.29Å; S1467-Q1470 PolarHBondContact O-N 3Å; S1467-I1471 PolarHBondContact O-N 2.95Å
1468A80.5Confident79.8Confident0 Ų032 Ų320%016%0.164CC..Hα-helixtrans-65.1-40.4175.900000112.2F1401 V1464 F1465 Q1470 I1471 I1472 F1579F1401-A1468 HydrophobicContact CZ-CB 4.43Å; V1464-A1468 PolarHBondContact O-N 2.72Å; F1465-A1468 PolarHBondContact O-N 2.79Å; A1468-Q1470 VanDerWaalsContact C-N 3.3Å; A1468-Q1470 PolarHBondContact O-N 2.79Å; A1468-I1471 WeakPolarHBondContact O-CB 3.37Å; A1468-I1471 PolarHBondContact O-N 2.94Å; A1468-I1472 PolarHBondContact O-N 3.01Å; A1468-F1579 HydrophobicContact CB-CD2 4.39Å; A1468-F1579 HydrophobicContact CB-CE2 3.68Å; A1468-F1579 HydrophobicContact CB-CZ 4.27Å
1469M79Confident80Confident26 Ų2633.2 Ų33.213%0.12817%0.17CC..Hα-helixtrans-58.3-40.2172-83.9-57.9-49.200112.6F1465 L1466 I1471 I1472 L1473 A1576 F1579F1465-M1469 HydrophobicContact CD2-CG 4.35Å; F1465-M1469 HydrophobicContact CE1-CG 4.45Å; F1465-M1469 HydrophobicContact CE2-CG 3.92Å; F1465-M1469 HydrophobicContact CZ-CG 3.97Å; F1465-M1469 WeakPolarHBondContact O-CB 3.49Å; F1465-M1469 WeakPolarHBondContact O-CG 3.44Å; F1465-M1469 PolarHBondContact O-N 2.91Å; L1466-M1469 PolarHBondContact O-N 2.8Å; M1469-I1471 VanDerWaalsContact C-N 3.33Å; M1469-I1471 PolarHBondContact O-N 3.01Å; M1469-I1472 PolarHBondContact O-N 3.07Å; M1469-L1473 WeakPolarHBondContact O-CG 3.48Å; M1469-L1473 PolarHBondContact O-N 3.38Å; M1469-L1473 VanDerWaalsContact O-N 3.14Å; M1469-A1576 HydrophobicContact CE-CB 3.61Å; M1469-A1576 HydrophobicContact SD-CB 3.69Å; M1469-F1579 HydrophobicContact CG-CD2 4.07Å; M1469-F1579 HydrophobicContact SD-CB 4.46Å; M1469-F1579 HydrophobicContact SD-CD2 3.74Å; M1469-F1579 HydrophobicContact SD-CE2 4.49Å
1470Q78.7Confident80Confident80 Ų8033.4 Ų33.437%0.37417%0.167SC..Hα-helixtrans-68-31.7177.7-170.960.260.100112.5F1398 L1466 S1467 A1468 N1474F1398-Q1470 HydrophobicContact CE2-CB 4.18Å; F1398-Q1470 HydrophobicContact CE2-CG 4.03Å; F1398-Q1470 HydrophobicContact CZ-CG 4.46Å; L1466-Q1470 PolarHBondContact O-N 3.48Å; S1467-Q1470 PolarHBondContact O-N 3Å; A1468-Q1470 VanDerWaalsContact C-N 3.3Å; A1468-Q1470 PolarHBondContact O-N 2.79Å; Q1470-N1474 PolarHBondContact NE2-OD1 3.37Å; Q1470-N1474 WeakPolarHBondContact O-CB 3.45Å; Q1470-N1474 PolarHBondContact O-N 3.48Å; Q1470-N1474 PolarHBondContact O-ND2 2.81Å; Q1470-N1474 PolarHBondContact O-OD1 3.38Å
1471I77.8Confident79.9Confident15 Ų1539.4 Ų39.48%0.07719%0.193CC..Hα-helixtrans-63.3-48.8174.2-68.9160.9000110.9L1268 T1312 F1401 S1467 A1468 M1469 L1473 N1474 Q1475L1268-I1471 HydrophobicContact CD1-CG2 4.48Å; T1312-I1471 HydrophobicContact CG2-CD1 4.43Å; T1312-I1471 HydrophobicContact CG2-CG2 4.02Å; F1401-I1471 HydrophobicContact CB-CD1 4.05Å; F1401-I1471 HydrophobicContact CD1-CD1 3.35Å; F1401-I1471 HydrophobicContact CE1-CD1 3.77Å; F1401-I1471 HydrophobicContact CG-CD1 3.77Å; S1467-I1471 PolarHBondContact O-N 2.95Å; A1468-I1471 WeakPolarHBondContact O-CB 3.37Å; A1468-I1471 PolarHBondContact O-N 2.94Å; M1469-I1471 VanDerWaalsContact C-N 3.33Å; M1469-I1471 PolarHBondContact O-N 3.01Å; I1471-L1473 VanDerWaalsContact C-N 3.34Å; I1471-L1473 PolarHBondContact O-N 3.32Å; I1471-N1474 WeakPolarHBondContact O-CB 3.39Å; I1471-N1474 PolarHBondContact O-N 2.93Å; I1471-N1474 VanDerWaalsContact O-N 3.15Å; I1471-Q1475 WeakPolarHBondContact O-CG 3.44Å; I1471-Q1475 PolarHBondContact O-N 2.95Å
1472I81.4Confident79.9Confident3 Ų341.7 Ų41.72%0.01521%0.209CC..Hα-helixtrans-57.7-47.8177.4-65.9178.3000110.5L1268 F1271 A1468 M1469 N1474 Q1475 V1476 A1572 T1575 F1579L1268-I1472 HydrophobicContact CD1-CD1 4.22Å; L1268-I1472 HydrophobicContact CD1-CG1 3.84Å; F1271-I1472 HydrophobicContact CD1-CD1 4.4Å; F1271-I1472 HydrophobicContact CD1-CG1 3.92Å; F1271-I1472 HydrophobicContact CD1-CG2 4.36Å; F1271-I1472 HydrophobicContact CE1-CB 4.29Å; F1271-I1472 HydrophobicContact CE1-CG1 4.1Å; F1271-I1472 HydrophobicContact CE1-CG2 3.9Å; F1271-I1472 HydrophobicContact CE2-CG2 4.27Å; F1271-I1472 HydrophobicContact CZ-CG2 3.86Å; A1468-I1472 PolarHBondContact O-N 3.01Å; M1469-I1472 PolarHBondContact O-N 3.07Å; I1472-N1474 VanDerWaalsContact C-N 3.31Å; I1472-N1474 PolarHBondContact O-N 3.35Å; I1472-Q1475 PolarHBondContact O-N 3.18Å; I1472-V1476 HydrophobicContact CG2-CG2 4.5Å; I1472-V1476 WeakPolarHBondContact O-CG2 3.38Å; I1472-V1476 PolarHBondContact O-N 2.75Å; I1472-A1572 HydrophobicContact CG2-CB 3.9Å; I1472-T1575 HydrophobicContact CD1-CG2 3.54Å; I1472-F1579 HydrophobicContact CD1-CD2 4.16Å; I1472-F1579 HydrophobicContact CD1-CE2 3.41Å; I1472-F1579 VanDerWaalsContact CD1-CE2 3.41Å; I1472-F1579 HydrophobicContact CD1-CZ 3.65Å; I1472-F1579 HydrophobicContact CG1-CE2 4.37Å
1473L79.3Confident79.9Confident42 Ų4239.2 Ų39.222%0.2220%0.199CC..Hα-helixtrans-60.6-38.7177.6-70.8172.1000112.5P1442 M1469 I1471 Q1477P1442-L1473 HydrophobicContact CB-CD2 4.23Å; M1469-L1473 WeakPolarHBondContact O-CG 3.48Å; M1469-L1473 PolarHBondContact O-N 3.38Å; M1469-L1473 VanDerWaalsContact O-N 3.14Å; I1471-L1473 VanDerWaalsContact C-N 3.34Å; I1471-L1473 PolarHBondContact O-N 3.32Å; L1473-Q1477 WeakPolarHBondContact O-CB 3.27Å; L1473-Q1477 WeakPolarHBondContact O-CG 3.46Å; L1473-Q1477 PolarHBondContact O-N 2.91Å; L1473-Q1477 VanDerWaalsContact O-N 3.08Å
1474N81.8Confident79.8Confident69 Ų6940.1 Ų40.137%0.36921%0.21SC..Hα-helixtrans-67-40.7176.5-69.9-11.7000111.8Q1470 I1471 I1472 Q1477 A1478Q1470-N1474 PolarHBondContact NE2-OD1 3.37Å; Q1470-N1474 WeakPolarHBondContact O-CB 3.45Å; Q1470-N1474 PolarHBondContact O-N 3.48Å; Q1470-N1474 PolarHBondContact O-ND2 2.81Å; Q1470-N1474 PolarHBondContact O-OD1 3.38Å; I1471-N1474 WeakPolarHBondContact O-CB 3.39Å; I1471-N1474 PolarHBondContact O-N 2.93Å; I1471-N1474 VanDerWaalsContact O-N 3.15Å; I1472-N1474 VanDerWaalsContact C-N 3.31Å; I1472-N1474 PolarHBondContact O-N 3.35Å; N1474-Q1477 PolarHBondContact O-N 3.32Å; N1474-A1478 PolarHBondContact O-N 2.98Å
1475Q82.5Confident79.7Confident64 Ų6445 Ų4530%0.29924%0.236SC..Hα-helixtrans-66.9-47.8178.9-74.6174.7-3500111.9F1271 I1471 I1472 Q1477 A1478 E1479F1271-Q1475 HydrophobicContact CE1-CB 4.48Å; I1471-Q1475 WeakPolarHBondContact O-CG 3.44Å; I1471-Q1475 PolarHBondContact O-N 2.95Å; I1472-Q1475 PolarHBondContact O-N 3.18Å; Q1475-Q1477 VanDerWaalsContact C-N 3.29Å; Q1475-Q1477 PolarHBondContact O-N 3.44Å; Q1475-A1478 WeakPolarHBondContact O-CB 3.23Å; Q1475-A1478 PolarHBondContact O-N 3.01Å; Q1475-A1478 VanDerWaalsContact O-N 3.08Å; Q1475-E1479 PolarHBondContact O-N 3.44Å; Q1475-E1479 VanDerWaalsContact O-N 3.08Å
1476V83.1Confident79.5Confident12 Ų1246.5 Ų46.57%0.07324%0.243CC..Hα-helixtrans-60.8-38.6175.1176.90000111.4F1271 I1472 R1480 E1569 A1572F1271-V1476 HydrophobicContact CZ-CG2 3.91Å; I1472-V1476 HydrophobicContact CG2-CG2 4.5Å; I1472-V1476 WeakPolarHBondContact O-CG2 3.38Å; I1472-V1476 PolarHBondContact O-N 2.75Å; V1476-R1480 WeakPolarHBondContact O-CB 3.49Å; V1476-R1480 WeakPolarHBondContact O-CG 3.45Å; V1476-R1480 PolarHBondContact O-N 3.43Å; V1476-E1569 HydrophobicContact CG1-CG 4.13Å; V1476-A1572 HydrophobicContact CG2-CB 3.75Å
1477Q80.4Confident79.4Confident69 Ų6944.4 Ų44.432%0.32223%0.234SC..Hα-helixtrans-68.5-30.4175-75.8179.841.200113.6L1439 L1473 N1474 Q1475 K1481L1439-Q1477 HydrophobicContact CD1-CG 4.09Å; L1473-Q1477 WeakPolarHBondContact O-CB 3.27Å; L1473-Q1477 WeakPolarHBondContact O-CG 3.46Å; L1473-Q1477 PolarHBondContact O-N 2.91Å; L1473-Q1477 VanDerWaalsContact O-N 3.08Å; N1474-Q1477 PolarHBondContact O-N 3.32Å; Q1475-Q1477 VanDerWaalsContact C-N 3.29Å; Q1475-Q1477 PolarHBondContact O-N 3.44Å; Q1477-K1481 WeakPolarHBondContact O-CB 3.46Å; Q1477-K1481 WeakPolarHBondContact O-CD 3.45Å; Q1477-K1481 WeakPolarHBondContact O-CG 3.44Å; Q1477-K1481 PolarHBondContact O-N 3Å
1478A80.2Confident79.3Confident54 Ų5450.6 Ų50.645%0.44626%0.264SS..Hα-helixtrans-69.5-47.7175.300000111.1N1474 Q1475 K1481 S1482N1474-A1478 PolarHBondContact O-N 2.98Å; Q1475-A1478 WeakPolarHBondContact O-CB 3.23Å; Q1475-A1478 PolarHBondContact O-N 3.01Å; Q1475-A1478 VanDerWaalsContact O-N 3.08Å; A1478-K1481 PolarHBondContact O-N 3.09Å; A1478-K1481 VanDerWaalsContact O-N 3.16Å; A1478-S1482 PolarHBondContact O-N 3.26Å
1479E81.2Confident79Confident38 Ų3857.8 Ų57.818%0.17830%0.301CS..Hα-helixtrans-64-44.3176.9-66.5-55.3140.600112.2K1279 Q1475 K1481 S1482 R1483 L1568K1279-E1479 WeakPolarHBondContact CE-OE1 3.32Å; K1279-E1479 VanDerWaalsContact CE-OE2 3.32Å; K1279-E1479 WeakPolarHBondContact CE-OE2 3.21Å; K1279-E1479 IonicContact NZ-OE1 3.34Å; K1279-E1479 PolarHBondContact NZ-OE1 3.5Å; K1279-E1479 IonicContact NZ-OE2 3.09Å; K1279-E1479 PolarHBondContact NZ-OE2 2.99Å; Q1475-E1479 PolarHBondContact O-N 3.44Å; Q1475-E1479 VanDerWaalsContact O-N 3.08Å; E1479-K1481 PolarHBondContact O-N 3.18Å; E1479-S1482 PolarHBondContact O-N 3.09Å; E1479-S1482 VanDerWaalsContact O-N 3.12Å; E1479-R1483 PolarHBondContact O-N 2.96Å; E1479-L1568 HydrophobicContact CB-CD1 3.79Å; E1479-L1568 HydrophobicContact CG-CD1 4.02Å
1480R78.3Confident78.5Confident81 Ų8157.2 Ų57.231%0.30630%0.299SS..Hα-helixtrans-53.4-40.8171.9-84.5177.5158-143.31.4112V1476 A1484 I1565 E1569V1476-R1480 WeakPolarHBondContact O-CB 3.49Å; V1476-R1480 WeakPolarHBondContact O-CG 3.45Å; V1476-R1480 PolarHBondContact O-N 3.43Å; R1480-A1484 VanDerWaalsContact O-CB 3.27Å; R1480-A1484 WeakPolarHBondContact O-CB 3.38Å; R1480-A1484 PolarHBondContact O-N 3.14Å; R1480-I1565 HydrophobicContact CG-CG2 4.3Å; R1480-E1569 IonicContact CZ-OE1 2.82Å; R1480-E1569 IonicContact CZ-OE2 3.71Å; R1480-E1569 IonicContact NE-OE1 3.07Å; R1480-E1569 PolarHBondContact NE-OE1 3.08Å; R1480-E1569 IonicContact NH2-OE1 3.87Å; R1480-E1569 PolarHBondContact NH2-OE1 3.11Å; R1480-E1569 IonicContact NH2-OE2 3.49Å; R1480-E1569 PolarHBondContact NH2-OE2 3.44Å
1481K78.4Confident77.7Confident127 Ų12755.9 Ų55.955%0.55231%0.306SS*.Hα-helixtrans-70.8-39.4177.2-73.8166.3-172.3167.80112.4Q1477 A1478 E1479 A1484 N1485Q1477-K1481 WeakPolarHBondContact O-CB 3.46Å; Q1477-K1481 WeakPolarHBondContact O-CD 3.45Å; Q1477-K1481 WeakPolarHBondContact O-CG 3.44Å; Q1477-K1481 PolarHBondContact O-N 3Å; A1478-K1481 PolarHBondContact O-N 3.09Å; A1478-K1481 VanDerWaalsContact O-N 3.16Å; E1479-K1481 PolarHBondContact O-N 3.18Å; K1481-A1484 PolarHBondContact O-N 2.88Å; K1481-N1485 PolarHBondContact O-N 3.38Å; K1481-N1485 PolarHBondContact O-ND2 3.38Å
1482S80.3Confident76.9Confident48 Ų4858.6 Ų58.634%0.33632%0.316SS..Hα-helixtrans-59.8-53.6174.3-164.60000110.8A1478 E1479 A1484 N1485 E1486A1478-S1482 PolarHBondContact O-N 3.26Å; E1479-S1482 PolarHBondContact O-N 3.09Å; E1479-S1482 VanDerWaalsContact O-N 3.12Å; S1482-A1484 VanDerWaalsContact C-N 3.27Å; S1482-A1484 PolarHBondContact O-N 3.41Å; S1482-N1485 WeakPolarHBondContact O-CB 3.37Å; S1482-N1485 PolarHBondContact O-N 3.45Å; S1482-E1486 WeakPolarHBondContact O-CG 3.34Å; S1482-E1486 PolarHBondContact O-N 3.07Å; S1482-E1486 PolarHBondContact OG-OE1 2.85Å
1483R80.5Confident75.3Confident11 Ų1163.7 Ų63.74%0.04235%0.348CS..Hα-helixtrans-64.3-29.1-179.4-62.9-47-151147.89.6113.3E1286 E1479 E1486 A1487 H1564 I1565E1286-R1483 VanDerWaalsContact CD-NH1 3.34Å; E1286-R1483 IonicContact OE1-CZ 2.6Å; E1286-R1483 IonicContact OE1-NH1 2.66Å; E1286-R1483 PolarHBondContact OE1-NH1 2.94Å; E1286-R1483 IonicContact OE1-NH2 2.72Å; E1286-R1483 PolarHBondContact OE1-NH2 2.82Å; E1286-R1483 IonicContact OE2-NH1 3.7Å; E1286-R1483 PolarHBondContact OE2-NH1 3.11Å; E1479-R1483 PolarHBondContact O-N 2.96Å; R1483-E1486 WeakPolarHBondContact CD-OE2 3.49Å; R1483-E1486 IonicContact CZ-OE2 3.62Å; R1483-E1486 IonicContact NE-OE2 3.96Å; R1483-E1486 IonicContact NH1-OE2 3.69Å; R1483-E1486 PolarHBondContact NH1-OE2 3.35Å; R1483-A1487 PolarHBondContact O-N 3.1Å; R1483-H1564 PolarHBondContact NE-CE1 2.96Å; R1483-H1564 PolarHBondContact NE-ND1 3.38Å; R1483-H1564 PolarHBondContact NH2-CD2 2.9Å; R1483-I1565 HydrophobicContact CB-CD1 3.98Å; R1483-I1565 HydrophobicContact CB-CG1 4.38Å; R1483-I1565 HydrophobicContact CG-CG1 4.44Å
1484A77.4Confident73.7Confident44 Ų4467.2 Ų67.236%0.36437%0.371SS..Hα-helixtrans-69.7-42171.200000112.7R1480 K1481 S1482 E1486 A1487 M1488R1480-A1484 VanDerWaalsContact O-CB 3.27Å; R1480-A1484 WeakPolarHBondContact O-CB 3.38Å; R1480-A1484 PolarHBondContact O-N 3.14Å; K1481-A1484 PolarHBondContact O-N 2.88Å; S1482-A1484 VanDerWaalsContact C-N 3.27Å; S1482-A1484 PolarHBondContact O-N 3.41Å; A1484-E1486 VanDerWaalsContact C-N 3.32Å; A1484-E1486 PolarHBondContact O-N 3.01Å; A1484-A1487 WeakPolarHBondContact O-CB 3.31Å; A1484-A1487 PolarHBondContact O-N 3.46Å; A1484-M1488 WeakPolarHBondContact O-CG 3.31Å; A1484-M1488 PolarHBondContact O-N 2.57Å
1485N77.5Confident71.5Confident103 Ų10369 Ų6955%0.55138%0.38SS*.Hα-helixtrans-63-40.3174.6-66-20.1000111.3K1481 S1482 A1487 M1488 L1489K1481-N1485 PolarHBondContact O-N 3.38Å; K1481-N1485 PolarHBondContact O-ND2 3.38Å; S1482-N1485 WeakPolarHBondContact O-CB 3.37Å; S1482-N1485 PolarHBondContact O-N 3.45Å; N1485-A1487 VanDerWaalsContact C-N 3.34Å; N1485-A1487 PolarHBondContact O-N 3.43Å; N1485-M1488 PolarHBondContact O-N 3.2Å; N1485-L1489 WeakPolarHBondContact O-CG 3.3Å; N1485-L1489 PolarHBondContact O-N 3.24Å; N1485-L1489 VanDerWaalsContact O-N 3.14Å
1486E77.1Confident69.2Low37 Ų3773.6 Ų73.617%0.17341%0.406CS..Hα-helixtrans-63.8-36.4174.7-68157.3-141.200112.6S1482 R1483 A1484 M1488 L1489 D1490S1482-E1486 WeakPolarHBondContact O-CG 3.34Å; S1482-E1486 PolarHBondContact O-N 3.07Å; S1482-E1486 PolarHBondContact OG-OE1 2.85Å; R1483-E1486 WeakPolarHBondContact CD-OE2 3.49Å; R1483-E1486 IonicContact CZ-OE2 3.62Å; R1483-E1486 IonicContact NE-OE2 3.96Å; R1483-E1486 IonicContact NH1-OE2 3.69Å; R1483-E1486 PolarHBondContact NH1-OE2 3.35Å; A1484-E1486 VanDerWaalsContact C-N 3.32Å; A1484-E1486 PolarHBondContact O-N 3.01Å; E1486-M1488 VanDerWaalsContact C-N 3.35Å; E1486-L1489 PolarHBondContact O-N 3.41Å; E1486-D1490 PolarHBondContact O-N 3.46Å
1487A76Confident66.7Low8 Ų878.2 Ų78.27%0.06643%0.43CS..Hα-helixtrans-61.7-42.3174.400000112.1R1483 A1484 N1485 L1489 D1490 G1491 Y1492 R1561R1483-A1487 PolarHBondContact O-N 3.1Å; A1484-A1487 WeakPolarHBondContact O-CB 3.31Å; A1484-A1487 PolarHBondContact O-N 3.46Å; N1485-A1487 VanDerWaalsContact C-N 3.34Å; N1485-A1487 PolarHBondContact O-N 3.43Å; A1487-L1489 VanDerWaalsContact C-N 3.31Å; A1487-L1489 PolarHBondContact O-N 2.96Å; A1487-D1490 PolarHBondContact O-N 2.68Å; A1487-G1491 PolarHBondContact O-N 3.33Å; A1487-Y1492 PolarHBondContact O-N 3.49Å; A1487-R1561 VanDerWaalsContact CB-NH1 3.32Å
1488M74Confident64.4Low132 Ų13282.4 Ų82.465%0.6545%0.453SS*.Hα-helixtrans-65.4-34.4176.3-64.4178.971.800112A1484 N1485 E1486 G1491A1484-M1488 WeakPolarHBondContact O-CG 3.31Å; A1484-M1488 PolarHBondContact O-N 2.57Å; N1485-M1488 PolarHBondContact O-N 3.2Å; E1486-M1488 VanDerWaalsContact C-N 3.35Å; M1488-G1491 PolarHBondContact O-N 3.07Å
1489L73.9Confident61.9Low150 Ų15086.9 Ų86.979%0.78546%0.462SS*.Hα-helixtrans-71.4-35.8175.4-69.7170.9000113.1N1485 E1486 A1487 G1491N1485-L1489 WeakPolarHBondContact O-CG 3.3Å; N1485-L1489 PolarHBondContact O-N 3.24Å; N1485-L1489 VanDerWaalsContact O-N 3.14Å; E1486-L1489 PolarHBondContact O-N 3.41Å; A1487-L1489 VanDerWaalsContact C-N 3.31Å; A1487-L1489 PolarHBondContact O-N 2.96Å; L1489-G1491 PolarHBondContact O-N 3.43Å
1490D67.8Low59.5Low14 Ų1490.3 Ų90.38%0.07549%0.488CS..THydrogen-bonded Turntrans-73-0.4172.1-88.8-35.9000113.4R1288 E1486 A1487 Y1492 R1554 R1557R1288-D1490 IonicContact CZ-OD2 2.62Å; R1288-D1490 IonicContact NH2-OD1 2.67Å; R1288-D1490 PolarHBondContact NH2-OD1 2.86Å; R1288-D1490 VanDerWaalsContact NH2-OD1 3.07Å; R1288-D1490 IonicContact NH2-OD2 3.82Å; R1288-D1490 PolarHBondContact NH2-OD2 3.28Å; E1486-D1490 PolarHBondContact O-N 3.46Å; A1487-D1490 PolarHBondContact O-N 2.68Å; D1490-Y1492 HydrophobicContact CB-CD2 4.34Å; D1490-R1554 PolarHBondContact O-NH1 3.33Å; D1490-R1557 IonicContact OD1-CZ 2.91Å; D1490-R1557 IonicContact OD1-NE 2.68Å; D1490-R1557 PolarHBondContact OD1-NE 2.92Å; D1490-R1557 VanDerWaalsContact OD1-NE 3.1Å; D1490-R1557 IonicContact OD1-NH2 2.7Å; D1490-R1557 PolarHBondContact OD1-NH2 3.11Å; D1490-R1557 IonicContact OD2-CZ 3.38Å; D1490-R1557 IonicContact OD2-NE 2.81Å; D1490-R1557 PolarHBondContact OD2-NE 3.25Å; D1490-R1557 IonicContact OD2-NH2 2.73Å
1491G63.4Low57.1Low52 Ų5292.7 Ų92.754%0.53651%0.512SS..THydrogen-bonded Turntrans86.513.3175.400000115.4A1487 M1488 L1489A1487-G1491 PolarHBondContact O-N 3.33Å; M1488-G1491 PolarHBondContact O-N 3.07Å; L1489-G1491 PolarHBondContact O-N 3.43Å
1492Y60.5Low54.7Low72 Ų7293.2 Ų93.228%0.28252%0.52SS..  trans-85.1109169.8-73.3-83.7000110A1487 D1490 R1554 E1555 Q1558A1487-Y1492 PolarHBondContact O-N 3.49Å; D1490-Y1492 HydrophobicContact CB-CD2 4.34Å; Y1492-R1554 HydrophobicContact CE2-CB 3.97Å; Y1492-R1554 PolarHBondContact OH-O 3.36Å; Y1492-E1555 PolarHBondContact OH-N 2.87Å; Y1492-Q1558 HydrophobicContact CE2-CB 4.26Å
1493T47.3Very low52.3Low110 Ų11096.1 Ų96.168%0.67554%0.536SS*.  trans-74.3129.9164.850.20000109.7D1495T1493-D1495 WeakPolarHBondContact CB-OD2 3.38Å; T1493-D1495 PolarHBondContact O-N 2.92Å; T1493-D1495 PolarHBondContact OG1-OD2 3.42Å
1494V47Very low49.8Very low116 Ų116104.9 Ų104.970%0.70358%0.575SS**  trans-80.869.6175.9-172.80000109L1496V1494-L1496 PolarHBondContact O-N 2.77Å
1495D34.9Very low47.5Very low106 Ų106106.9 Ų106.957%0.56760%0.599SS**  trans-77.163-177.3-90.5-64.8000113T1493 L1497T1493-D1495 WeakPolarHBondContact CB-OD2 3.38Å; T1493-D1495 PolarHBondContact O-N 2.92Å; T1493-D1495 PolarHBondContact OG1-OD2 3.42Å; D1495-L1497 PolarHBondContact O-N 3.44Å
1496L33.3Very low45.2Very low161 Ų161105.7 Ų105.784%0.84361%0.611SS**  trans-9359.4154.5-85.5178.1000111.1V1494 I1498V1494-L1496 PolarHBondContact O-N 2.77Å; L1496-I1498 VanDerWaalsContact C-N 3.32Å; L1496-I1498 PolarHBondContact O-N 3.46Å
1497L30.7Very low42.8Very low110 Ų110113.9 Ų113.958%0.57665%0.646SS**  trans-6489.5159.9-93.1169.9000110.4D1495 K1499D1495-L1497 PolarHBondContact O-N 3.44Å; L1497-K1499 VanDerWaalsContact C-N 3.29Å; L1497-K1499 HydrophobicContact CB-CG 4.07Å; L1497-K1499 HydrophobicContact CD2-CG 4.21Å; L1497-K1499 PolarHBondContact O-N 3.03Å; L1497-K1499 VanDerWaalsContact O-N 3.07Å
1498I32.4Very low40.8Very low157 Ų157121.4 Ų121.481%0.80568%0.684SS**  trans-65.7101142.7-64.7-178.8000105.7L1496 P1500L1496-I1498 VanDerWaalsContact C-N 3.32Å; L1496-I1498 PolarHBondContact O-N 3.46Å; I1498-P1500 WeakPolarHBondContact O-CD 3.33Å
1499K29.2Very low38.7Very low147 Ų147122.1 Ų122.164%0.63969%0.691SS**  trans-76.5114.4176.3-67.5177-179.5169.90109.9L1497 T1501L1497-K1499 VanDerWaalsContact C-N 3.29Å; L1497-K1499 HydrophobicContact CB-CG 4.07Å; L1497-K1499 HydrophobicContact CD2-CG 4.21Å; L1497-K1499 PolarHBondContact O-N 3.03Å; L1497-K1499 VanDerWaalsContact O-N 3.07Å; K1499-T1501 PolarHBondContact O-N 3.37Å
1500P29.1Very low36.5Very low111 Ų111119.9 Ų119.972%0.72169%0.688SS**  trans-69115.8149.430.6-30.9000107.5I1498 D1502I1498-P1500 WeakPolarHBondContact O-CD 3.33Å; P1500-D1502 PolarHBondContact O-N 3.25Å
1501T29.3Very low34.6Very low131 Ų131123.2 Ų123.280%0.80472%0.717SS**  trans-83.1109.8174.250.50000110.1K1499K1499-T1501 PolarHBondContact O-N 3.37Å
1502D27.4Very low32.9Very low138 Ų138126.4 Ų126.474%0.73872%0.722SS**  trans-67.2173.5-176-91.5-50.9000116.1P1500P1500-D1502 PolarHBondContact O-N 3.25Å
1503T29.2Very low31.4Very low109 Ų109130.7 Ų130.767%0.66974%0.742SS**  trans91.3140.8159.675.60000117.9
1504K29.3Very low30.5Very low195 Ų195131.8 Ų131.885%0.84874%0.744SS**  cis-161.3140.8-2.5-118.9160.1-1621600112.8
1505G28.1Very low29.6Very low85 Ų85136.6 Ų136.688%0.87676%0.755SS**  trans86.3146.8150.400000118.5
1506G29.4Very low29.2Very low78 Ų78135.4 Ų135.480%0.80477%0.768SS**  cis178.6150.5-8.600000116.3
1507K25.8Very low29Very low209 Ų209131.4 Ų131.491%0.90977%0.766SS**  trans35.9126.6160.9-71-174.2176-179.10121.5
1508L34.2Very low28.9Very low166 Ų166135.5 Ų135.587%0.86978%0.782SS**  trans-143.2164.5143-115.6169.2000110.6
1509N30.4Very low28.9Very low147 Ų147132.4 Ų132.479%0.78677%0.772SS**  trans-95-177.5179.2-41.8-63.7000109.7
1510S28.8Very low29Very low104 Ų104136 Ų13673%0.72778%0.782SS**  cis-162.8146.49.348.90000112.2
1511A26.4Very low28.9Very low83 Ų83140 Ų14069%0.68679%0.788SS**  trans37.9143.8137.100000123.9
1512D27.5Very low28.8Very low119 Ų119137.5 Ų137.564%0.63679%0.788SS**  trans73151.2141.1-76.1-19.7000120.2
1513K30.3Very low29Very low162 Ų162139.9 Ų139.970%0.70479%0.794SS**  cis-153.2138.20.8-129.8152.2-166.5141.70114.3
1514N27.9Very low28.9Very low133 Ų133146 Ų14671%0.71181%0.805SS**  trans19.7127.2142.5-57.6-17.6000121.8
1515K28.6Very low28.8Very low217 Ų217146.2 Ų146.294%0.94381%0.806SS**  171.8138.5109.9-90.3158.9-176178.40109.6
1516G25.9Very low28.9Very low81 Ų81147 Ų14784%0.83580%0.798SS**  cis173.7142.2-8.100000109.3
1517G29.1Very low28.9Very low77 Ų77150.1 Ų150.179%0.79480%0.801SS**  trans-144.2-14.1-161.900000120.8
1518Q28.2Very low29.3Very low196 Ų196143.2 Ų143.292%0.91679%0.789SS**  trans62.3172.8167.9-88.5-143.75.900118.6
1519P33.3Very low29.2Very low93 Ų93141.7 Ų141.760%0.60479%0.79SS**  trans-132.3179.3-145.945.6-33.2000116.9
1520R30.1Very low29Very low223 Ų223143.4 Ų143.484%0.84279%0.79SS**  -175.3143.4125.7-98.1150.8-168.9-1533.6115.1
1521K27.2Very low29Very low195 Ų195147.8 Ų147.885%0.84880%0.799SS**  trans21.9130.2138.2-52.5175.1-179.9-176.90117.4
1522G27.7Very low29Very low77 Ų77153.3 Ų153.379%0.79481%0.807SS**  98.8145.552.100000109.5
1523Q31.8Very low29Very low188 Ų188151.3 Ų151.388%0.87982%0.815SS**  cis-136.4152.414.4-67.2176.4-12.400109.2
1524R26Very low28.8Very low238 Ų238149.2 Ų149.290%0.89882%0.821SS**  84.1136.152.2-131.2-176.1-166.2-160.13.4114.2
1525K28.2Very low28.9Very low200 Ų200150.3 Ų150.387%0.8782%0.819SS**  trans84.6145.9-175.4-54.2179179-178.80114.4
1526S30.2Very low28.9Very low101 Ų101145.8 Ų145.871%0.70681%0.812SS**  cis-144.8135.8-1.7-9.20000109.6
1527V28.8Very low28.8Very low143 Ų143147.6 Ų147.687%0.86780%0.803SS**  59.9113.693.4-177.10000113.9
1528G35.7Very low28.9Very low64 Ų64151.8 Ų151.866%0.6680%0.802SS**  trans-96.4-155.316600000112
1529P31.5Very low28.8Very low135 Ų135150.5 Ų150.588%0.87780%0.795SS**  trans-130177.3145.638.1-27.1000113.6
1530K25.3Very low28.5Very low182 Ų182150.9 Ų150.979%0.79181%0.806SS**  trans-98.3156.4-176.6-53.5158.9-178.6168.20110.4
1531E29.8Very low28.4Very low197 Ų197146.9 Ų146.992%0.92181%0.807SS**  trans-120.5177.5135.5-74.1-153.9126.700110.5
1532K25.6Very low28.5Very low198 Ų198143 Ų14386%0.86180%0.8SS**  trans-143.3147.5-167.9-78.1-179.4169.1-174.10111.6
1533G27Very low28.9Very low77 Ų77145.2 Ų145.279%0.79480%0.8SS**  trans120.4136.5163.100000112.1
1534S27.9Very low29.3Very low119 Ų119142.2 Ų142.283%0.83279%0.794SS**  cis-160.1142.7-10.445.10000110.6
1535K28.7Very low30.1Very low155 Ų155139.7 Ų139.767%0.67479%0.793SS**  trans-75.1156.7154.8-85.1-163.1167.9-148.80109.5D1537K1535-D1537 IonicContact NZ-OD1 2.63Å; K1535-D1537 PolarHBondContact NZ-OD1 3.09Å; K1535-D1537 IonicContact NZ-OD2 2.95Å; K1535-D1537 PolarHBondContact NZ-OD2 3.48Å
1536P28.4Very low31.2Very low122 Ų122133.7 Ų133.779%0.79277%0.77SS**  -122169.691.437-34.3000113.6
1537D25.3Very low32.7Very low120 Ų120132.2 Ų132.264%0.64276%0.757SS**  trans-97.4134.8168.1-63.8-68.1000109.1K1535K1535-D1537 IonicContact NZ-OD1 2.63Å; K1535-D1537 PolarHBondContact NZ-OD1 3.09Å; K1535-D1537 IonicContact NZ-OD2 2.95Å; K1535-D1537 PolarHBondContact NZ-OD2 3.48Å
1538E29.9Very low34.5Very low165 Ų165132.1 Ų132.177%0.77175%0.747SS**  trans-147.5102.5160.6-167.9136.6-116.400113.6
1539Q27.2Very low35.9Very low168 Ų168136.5 Ų136.579%0.78575%0.75SS**  trans57147.4140.3-60.5-177.370.500122
1540A26.3Very low37.8Very low101 Ų101133.8 Ų133.884%0.83573%0.728SS**  trans-71.2143.5-174.400000113.6
1541T28.4Very low40Very low140 Ų140129.8 Ų129.886%0.85971%0.712SS**  trans-110.6155.8152.928.20000110
1542T28.5Very low42.1Very low114 Ų114125.3 Ų125.370%0.69969%0.69SS**PPolyproline II helixtrans-63.7160-173.442.40000113V1544T1542-V1544 PolarHBondContact O-N 3.42Å
1543P36.4Very low44.4Very low122 Ų122117.7 Ų117.779%0.79266%0.664SS**PPolyproline II helixtrans-55.2119.4160.426.6-33.8000108.1E1545P1543-E1545 PolarHBondContact O-N 3.1Å
1544V41.4Very low46.7Very low125 Ų125117.5 Ų117.576%0.75864%0.639SS**PPolyproline II helixtrans-65.5122.7170.1176.10000106.5T1542 L1546T1542-V1544 PolarHBondContact O-N 3.42Å; V1544-L1546 PolarHBondContact O-N 2.86Å
1545E41.6Very low49.1Very low185 Ų185115.8 Ų115.886%0.86462%0.618SS**  trans-59.6110.4168.6-67.5-175.2136.700107.2P1543 T1547P1543-E1545 PolarHBondContact O-N 3.1Å; E1545-T1547 PolarHBondContact O-N 3.04Å
1546L52.3Low51.5Low75 Ų75110.7 Ų110.739%0.39360%0.6SS.*  trans-57.4125.6176-79.6163.3000107.9V1544 D1550V1544-L1546 PolarHBondContact O-N 2.86Å; L1546-D1550 HydrophobicContact CD2-CB 3.82Å
1547T60.3Low54Low69 Ų69107.5 Ų107.542%0.42357%0.572SS.*  trans-61150.5172.869.20000108.5E1545 E1549 D1550 Q1551E1545-T1547 PolarHBondContact O-N 3.04Å; T1547-E1549 PolarHBondContact O-N 2.71Å; T1547-D1550 PolarHBondContact O-N 3.07Å; T1547-D1550 VanDerWaalsContact O-N 3.12Å; T1547-D1550 VanDerWaalsContact OG1-CG 3.26Å; T1547-D1550 PolarHBondContact OG1-N 3.2Å; T1547-D1550 PolarHBondContact OG1-OD2 2.8Å; T1547-Q1551 PolarHBondContact O-N 3Å
1548E67.4Low56.7Low141 Ų141104.1 Ų104.166%0.65955%0.553SS**Hα-helixtrans-57.8-24174.9-67.7-167.1-169.100111.8K1552E1548-K1552 WeakPolarHBondContact O-CB 3.32Å; E1548-K1552 WeakPolarHBondContact O-CD 3.43Å; E1548-K1552 WeakPolarHBondContact O-CE 3.24Å; E1548-K1552 WeakPolarHBondContact O-CG 3.23Å; E1548-K1552 PolarHBondContact O-N 3.3Å; E1548-K1552 IonicContact OE2-NZ 2.86Å; E1548-K1552 PolarHBondContact OE2-NZ 3.36Å
1549E64.4Low59.1Low156 Ų156100.3 Ų100.373%0.72954%0.535SS*.Hα-helixtrans-74.5-45.5176.9-58.5-172.9154.400111.4T1547 Q1551 K1552 A1553T1547-E1549 PolarHBondContact O-N 2.71Å; E1549-Q1551 VanDerWaalsContact C-N 3.29Å; E1549-Q1551 PolarHBondContact O-N 3.1Å; E1549-K1552 PolarHBondContact O-N 3.07Å; E1549-A1553 VanDerWaalsContact O-CB 3.26Å; E1549-A1553 WeakPolarHBondContact O-CB 3.02Å; E1549-A1553 PolarHBondContact O-N 2.98Å
1550D71.6Confident61.7Low79 Ų7992.3 Ų92.342%0.42250%0.497SS..Hα-helixtrans-58.1-41.2172.2-73.7-62.6000112L1546 T1547 A1553 R1554L1546-D1550 HydrophobicContact CD2-CB 3.82Å; T1547-D1550 PolarHBondContact O-N 3.07Å; T1547-D1550 VanDerWaalsContact O-N 3.12Å; T1547-D1550 VanDerWaalsContact OG1-CG 3.26Å; T1547-D1550 PolarHBondContact OG1-N 3.2Å; T1547-D1550 PolarHBondContact OG1-OD2 2.8Å; D1550-A1553 PolarHBondContact O-N 2.91Å; D1550-R1554 VanDerWaalsContact O-CG 3.32Å; D1550-R1554 WeakPolarHBondContact O-CG 3.19Å; D1550-R1554 PolarHBondContact O-N 2.9Å
1551Q72Confident64.4Low97 Ų9788 Ų8845%0.45346%0.459SS..Hα-helixtrans-71.4-43.9-179-172163.8-24.300111.7T1547 E1549 A1553 R1554 E1555T1547-Q1551 PolarHBondContact O-N 3Å; E1549-Q1551 VanDerWaalsContact C-N 3.29Å; E1549-Q1551 PolarHBondContact O-N 3.1Å; Q1551-A1553 VanDerWaalsContact C-N 3.29Å; Q1551-A1553 PolarHBondContact O-N 3.49Å; Q1551-R1554 WeakPolarHBondContact O-CB 3.22Å; Q1551-R1554 PolarHBondContact O-N 3.37Å; Q1551-R1554 VanDerWaalsContact O-N 3.16Å; Q1551-E1555 WeakPolarHBondContact O-CG 3.38Å; Q1551-E1555 PolarHBondContact O-N 3.24Å
1552K73Confident67.1Low103 Ų10384.5 Ų84.545%0.44843%0.433SS..Hα-helixtrans-61.1-38.3171.9-70.7160.5-160.3160.60111.6E1548 E1549 R1554 E1555 V1556E1548-K1552 WeakPolarHBondContact O-CB 3.32Å; E1548-K1552 WeakPolarHBondContact O-CD 3.43Å; E1548-K1552 WeakPolarHBondContact O-CE 3.24Å; E1548-K1552 WeakPolarHBondContact O-CG 3.23Å; E1548-K1552 PolarHBondContact O-N 3.3Å; E1548-K1552 IonicContact OE2-NZ 2.86Å; E1548-K1552 PolarHBondContact OE2-NZ 3.36Å; E1549-K1552 PolarHBondContact O-N 3.07Å; K1552-R1554 VanDerWaalsContact C-N 3.34Å; K1552-R1554 PolarHBondContact O-N 2.98Å; K1552-E1555 PolarHBondContact O-N 3.06Å; K1552-V1556 WeakPolarHBondContact O-CG2 3.38Å; K1552-V1556 PolarHBondContact O-N 3.43Å
1553A74.7Confident69.8Low39 Ų3979 Ų7932%0.32240%0.4SS..Hα-helixtrans-66.4-33.317600000112.9E1549 D1550 Q1551 R1557E1549-A1553 VanDerWaalsContact O-CB 3.26Å; E1549-A1553 WeakPolarHBondContact O-CB 3.02Å; E1549-A1553 PolarHBondContact O-N 2.98Å; D1550-A1553 PolarHBondContact O-N 2.91Å; Q1551-A1553 VanDerWaalsContact C-N 3.29Å; Q1551-A1553 PolarHBondContact O-N 3.49Å; A1553-R1557 WeakPolarHBondContact O-CG 3.48Å; A1553-R1557 PolarHBondContact O-N 2.88Å; A1553-R1557 VanDerWaalsContact O-N 3.1Å; A1553-R1557 PolarHBondContact O-NH1 2.93Å
1554R76Confident72.1Confident72 Ų7273.2 Ų73.227%0.27236%0.362SS..Hα-helixtrans-68.5-42.6171.7-75.1171.4-173.1-132.94.6112D1490 Y1492 D1550 Q1551 K1552 R1557 Q1558D1490-R1554 PolarHBondContact O-NH1 3.33Å; Y1492-R1554 HydrophobicContact CE2-CB 3.97Å; Y1492-R1554 PolarHBondContact OH-O 3.36Å; D1550-R1554 VanDerWaalsContact O-CG 3.32Å; D1550-R1554 WeakPolarHBondContact O-CG 3.19Å; D1550-R1554 PolarHBondContact O-N 2.9Å; Q1551-R1554 WeakPolarHBondContact O-CB 3.22Å; Q1551-R1554 PolarHBondContact O-N 3.37Å; Q1551-R1554 VanDerWaalsContact O-N 3.16Å; K1552-R1554 VanDerWaalsContact C-N 3.34Å; K1552-R1554 PolarHBondContact O-N 2.98Å; R1554-R1557 PolarHBondContact O-N 3.44Å; R1554-Q1558 PolarHBondContact O-N 2.7Å
1555E78.5Confident74.2Confident83 Ų8369.5 Ų69.539%0.38834%0.337SS..Hα-helixtrans-63.1-43.1176.5-71165.8-173.600111.5Y1492 Q1551 K1552 R1557 Q1558 H1559Y1492-E1555 PolarHBondContact OH-N 2.87Å; Q1551-E1555 WeakPolarHBondContact O-CG 3.38Å; Q1551-E1555 PolarHBondContact O-N 3.24Å; K1552-E1555 PolarHBondContact O-N 3.06Å; E1555-R1557 PolarHBondContact O-N 3.48Å; E1555-Q1558 WeakPolarHBondContact O-CB 3.22Å; E1555-Q1558 PolarHBondContact O-N 3.29Å; E1555-Q1558 VanDerWaalsContact O-N 3.13Å; E1555-H1559 PolarHBondContact O-N 3.12Å
1556V79.1Confident76.2Confident48 Ų4861.5 Ų61.529%0.29130%0.303SS..Hα-helixtrans-63.1-41.6173.3172.50000111.8V1123 L1125 K1552 Q1558 H1559 I1560V1123-V1556 HydrophobicContact CG1-CG1 3.81Å; L1125-V1556 HydrophobicContact CD1-CG1 3.9Å; L1125-V1556 HydrophobicContact CD2-CG1 4.33Å; L1125-V1556 HydrophobicContact CG-CG1 4.16Å; K1552-V1556 WeakPolarHBondContact O-CG2 3.38Å; K1552-V1556 PolarHBondContact O-N 3.43Å; V1556-Q1558 VanDerWaalsContact C-N 3.27Å; V1556-Q1558 PolarHBondContact O-N 3.45Å; V1556-H1559 PolarHBondContact O-N 3.2Å; V1556-I1560 HydrophobicContact CG1-CD1 4.06Å; V1556-I1560 WeakPolarHBondContact O-CG1 3.41Å; V1556-I1560 PolarHBondContact O-N 3Å
1557R80.2Confident77.8Confident56 Ų5658 Ų5821%0.21128%0.284CS..Hα-helixtrans-66.7-25.1173.5-73.8-164.5-56-82.611.5113.4D1490 A1553 R1554 E1555 R1561D1490-R1557 IonicContact OD1-CZ 2.91Å; D1490-R1557 IonicContact OD1-NE 2.68Å; D1490-R1557 PolarHBondContact OD1-NE 2.92Å; D1490-R1557 VanDerWaalsContact OD1-NE 3.1Å; D1490-R1557 IonicContact OD1-NH2 2.7Å; D1490-R1557 PolarHBondContact OD1-NH2 3.11Å; D1490-R1557 IonicContact OD2-CZ 3.38Å; D1490-R1557 IonicContact OD2-NE 2.81Å; D1490-R1557 PolarHBondContact OD2-NE 3.25Å; D1490-R1557 IonicContact OD2-NH2 2.73Å; A1553-R1557 WeakPolarHBondContact O-CG 3.48Å; A1553-R1557 PolarHBondContact O-N 2.88Å; A1553-R1557 VanDerWaalsContact O-N 3.1Å; A1553-R1557 PolarHBondContact O-NH1 2.93Å; R1554-R1557 PolarHBondContact O-N 3.44Å; E1555-R1557 PolarHBondContact O-N 3.48Å; R1557-R1561 WeakPolarHBondContact O-CG 3.27Å; R1557-R1561 PolarHBondContact O-N 2.9Å; R1557-R1561 PolarHBondContact O-NE 3.16Å; R1557-R1561 VanDerWaalsContact O-NE 3.12Å
1558Q81.3Confident79Confident49 Ų4955 Ų5523%0.22927%0.266CS..Hα-helixtrans-69.9-49.117217762.130.200110.8Y1492 R1554 E1555 V1556 I1560 R1561 E1562Y1492-Q1558 HydrophobicContact CE2-CB 4.26Å; R1554-Q1558 PolarHBondContact O-N 2.7Å; E1555-Q1558 WeakPolarHBondContact O-CB 3.22Å; E1555-Q1558 PolarHBondContact O-N 3.29Å; E1555-Q1558 VanDerWaalsContact O-N 3.13Å; V1556-Q1558 VanDerWaalsContact C-N 3.27Å; V1556-Q1558 PolarHBondContact O-N 3.45Å; Q1558-I1560 PolarHBondContact O-N 3.2Å; Q1558-R1561 PolarHBondContact O-N 3.11Å; Q1558-R1561 VanDerWaalsContact O-N 3.12Å; Q1558-R1561 VanDerWaalsContact OE1-NH2 3.11Å; Q1558-E1562 WeakPolarHBondContact CG-OE1 3.37Å; Q1558-E1562 PolarHBondContact NE2-OE1 2.97Å; Q1558-E1562 WeakPolarHBondContact O-CG 3.45Å; Q1558-E1562 PolarHBondContact O-N 3.42Å
1559H80.8Confident79.8Confident85 Ų8551 Ų5139%0.39425%0.247SC..Hα-helixtrans-63-39176.8-69.3-43.6000113.1V1123 E1555 V1556 R1561 E1562 E1563V1123-H1559 HydrophobicContact CG2-CB 3.75Å; E1555-H1559 PolarHBondContact O-N 3.12Å; V1556-H1559 PolarHBondContact O-N 3.2Å; H1559-R1561 VanDerWaalsContact C-N 3.29Å; H1559-R1561 PolarHBondContact O-N 3.25Å; H1559-E1562 IonicContact CE1-OE2 3.24Å; H1559-E1562 IonicContact CG-OE2 3.81Å; H1559-E1562 IonicContact ND1-OE2 2.98Å; H1559-E1562 PolarHBondContact ND1-OE2 3.46Å; H1559-E1562 WeakPolarHBondContact O-CB 3.46Å; H1559-E1562 PolarHBondContact O-N 3.15Å; H1559-E1562 VanDerWaalsContact O-N 3.14Å; H1559-E1563 WeakPolarHBondContact O-CG 3.46Å; H1559-E1563 PolarHBondContact O-N 3.26Å
1560I82.7Confident80.6Confident0 Ų046.3 Ų46.30%023%0.225CC..Hα-helixtrans-56.6-43172-73.9166.9000111.8V1123 L1125 Y1282 E1286 V1556 Q1558 H1564V1123-I1560 HydrophobicContact CB-CG1 4.25Å; V1123-I1560 HydrophobicContact CG1-CD1 4.11Å; V1123-I1560 HydrophobicContact CG1-CG1 3.86Å; V1123-I1560 HydrophobicContact CG2-CG1 4.31Å; L1125-I1560 HydrophobicContact CD1-CD1 3.78Å; Y1282-I1560 HydrophobicContact CD1-CG2 3.73Å; Y1282-I1560 HydrophobicContact CG-CG2 4.31Å; E1286-I1560 HydrophobicContact CG-CD1 4.28Å; E1286-I1560 HydrophobicContact CG-CG2 3.96Å; E1286-I1560 WeakPolarHBondContact OE1-CG2 3.04Å; V1556-I1560 HydrophobicContact CG1-CD1 4.06Å; V1556-I1560 WeakPolarHBondContact O-CG1 3.41Å; V1556-I1560 PolarHBondContact O-N 3Å; Q1558-I1560 PolarHBondContact O-N 3.2Å; I1560-H1564 WeakPolarHBondContact O-CB 3.42Å; I1560-H1564 PolarHBondContact O-N 3.06Å
1561R82.8Confident81.2Confident10 Ų1042.6 Ų42.64%0.03821%0.205CC..Hα-helixtrans-68.9-33.8178.3-74.6-178.7-77.497.1-0.6111.9A1487 R1557 Q1558 H1559 I1565A1487-R1561 VanDerWaalsContact CB-NH1 3.32Å; R1557-R1561 WeakPolarHBondContact O-CG 3.27Å; R1557-R1561 PolarHBondContact O-N 2.9Å; R1557-R1561 PolarHBondContact O-NE 3.16Å; R1557-R1561 VanDerWaalsContact O-NE 3.12Å; Q1558-R1561 PolarHBondContact O-N 3.11Å; Q1558-R1561 VanDerWaalsContact O-N 3.12Å; Q1558-R1561 VanDerWaalsContact OE1-NH2 3.11Å; H1559-R1561 VanDerWaalsContact C-N 3.29Å; H1559-R1561 PolarHBondContact O-N 3.25Å; R1561-I1565 WeakPolarHBondContact O-CB 3.3Å; R1561-I1565 WeakPolarHBondContact O-CD1 3.23Å; R1561-I1565 WeakPolarHBondContact O-CG1 3.37Å; R1561-I1565 PolarHBondContact O-N 3.09Å; R1561-I1565 VanDerWaalsContact O-N 3.16Å
1562E83.5Confident81.8Confident66 Ų6638.6 Ų38.631%0.30819%0.188SC..Hα-helixtrans-67.2-49.1173.1-70.8163-175.700112.1P1115 Q1558 H1559 I1565 A1566P1115-E1562 HydrophobicContact CG-CB 4.11Å; Q1558-E1562 WeakPolarHBondContact CG-OE1 3.37Å; Q1558-E1562 PolarHBondContact NE2-OE1 2.97Å; Q1558-E1562 WeakPolarHBondContact O-CG 3.45Å; Q1558-E1562 PolarHBondContact O-N 3.42Å; H1559-E1562 IonicContact CE1-OE2 3.24Å; H1559-E1562 IonicContact CG-OE2 3.81Å; H1559-E1562 IonicContact ND1-OE2 2.98Å; H1559-E1562 PolarHBondContact ND1-OE2 3.46Å; H1559-E1562 WeakPolarHBondContact O-CB 3.46Å; H1559-E1562 PolarHBondContact O-N 3.15Å; H1559-E1562 VanDerWaalsContact O-N 3.14Å; E1562-I1565 PolarHBondContact O-N 3.07Å; E1562-A1566 WeakPolarHBondContact O-CB 3.49Å; E1562-A1566 PolarHBondContact O-N 3.3Å
1563E85Confident82.2Confident0 Ų035.1 Ų35.10%018%0.178CC..Hα-helixtrans-60.5-46.4176.6-69.5-175.8178.200112.3P1115 Y1120 F1122 V1123 Y1282 H1559 I1565 A1566 A1567P1115-E1563 HydrophobicContact CB-CG 4.39Å; Y1120-E1563 HydrophobicContact CE1-CG 3.99Å; F1122-E1563 WeakPolarHBondContact CA-OE1 3.31Å; V1123-E1563 PolarHBondContact N-OE1 2.87Å; Y1282-E1563 HydrophobicContact CE1-CB 4.04Å; Y1282-E1563 VanDerWaalsContact CE1-OE2 3.23Å; Y1282-E1563 WeakPolarHBondContact CE1-OE2 3.33Å; Y1282-E1563 WeakPolarHBondContact OH-CB 3.31Å; Y1282-E1563 PolarHBondContact OH-OE2 3.47Å; H1559-E1563 WeakPolarHBondContact O-CG 3.46Å; H1559-E1563 PolarHBondContact O-N 3.26Å; E1563-I1565 PolarHBondContact O-N 2.88Å; E1563-A1566 PolarHBondContact O-N 3.25Å; E1563-A1567 VanDerWaalsContact O-CB 3.28Å; E1563-A1567 WeakPolarHBondContact O-CB 3.35Å; E1563-A1567 PolarHBondContact O-N 3.34Å
1564H85.6Confident82.6Confident0 Ų034 Ų340%017%0.166CC..Hα-helixtrans-58.1-46.4177.8173.9-84.4000112Y1282 R1483 I1560 L1568Y1282-H1564 HydrophobicContact CD2-CB 3.78Å; Y1282-H1564 AromaticContact CD2-CD2 3.79Å; Y1282-H1564 HydrophobicContact CE2-CB 4.18Å; Y1282-H1564 HydrophobicContact CG-CB 4.1Å; R1483-H1564 PolarHBondContact NE-CE1 2.96Å; R1483-H1564 PolarHBondContact NE-ND1 3.38Å; R1483-H1564 PolarHBondContact NH2-CD2 2.9Å; I1560-H1564 WeakPolarHBondContact O-CB 3.42Å; I1560-H1564 PolarHBondContact O-N 3.06Å; H1564-L1568 VanDerWaalsContact CE1-CD1 3.47Å; H1564-L1568 WeakPolarHBondContact CE1-CD1 3.36Å; H1564-L1568 WeakPolarHBondContact O-CG 3.47Å; H1564-L1568 PolarHBondContact O-N 2.88Å
1565I85.4Confident83Confident46 Ų4630.7 Ų30.724%0.23615%0.154CC..Hα-helixtrans-66.6-44.6178.9-71.3171.4000110.5R1480 R1483 R1561 E1562 E1563 A1567 L1568 E1569R1480-I1565 HydrophobicContact CG-CG2 4.3Å; R1483-I1565 HydrophobicContact CB-CD1 3.98Å; R1483-I1565 HydrophobicContact CB-CG1 4.38Å; R1483-I1565 HydrophobicContact CG-CG1 4.44Å; R1561-I1565 WeakPolarHBondContact O-CB 3.3Å; R1561-I1565 WeakPolarHBondContact O-CD1 3.23Å; R1561-I1565 WeakPolarHBondContact O-CG1 3.37Å; R1561-I1565 PolarHBondContact O-N 3.09Å; R1561-I1565 VanDerWaalsContact O-N 3.16Å; E1562-I1565 PolarHBondContact O-N 3.07Å; E1563-I1565 PolarHBondContact O-N 2.88Å; I1565-A1567 PolarHBondContact O-N 2.86Å; I1565-L1568 PolarHBondContact O-N 2.88Å; I1565-E1569 WeakPolarHBondContact CG2-OE1 3.37Å; I1565-E1569 WeakPolarHBondContact O-CG 3.39Å; I1565-E1569 PolarHBondContact O-N 2.94Å
1566A84.6Confident83.2Confident18 Ų1826.9 Ų26.915%0.14914%0.137CC..Hα-helixtrans-64.9-37.5177.800000113.2P1115 E1562 E1563 E1569 K1570P1115-A1566 HydrophobicContact CB-CB 3.68Å; P1115-A1566 HydrophobicContact CG-CB 3.92Å; E1562-A1566 WeakPolarHBondContact O-CB 3.49Å; E1562-A1566 PolarHBondContact O-N 3.3Å; E1563-A1566 PolarHBondContact O-N 3.25Å; A1566-E1569 PolarHBondContact O-N 3.07Å; A1566-K1570 WeakPolarHBondContact O-CB 3.22Å; A1566-K1570 WeakPolarHBondContact O-CG 3.45Å; A1566-K1570 PolarHBondContact O-N 2.88Å
1567A85.1Confident83.3Confident0 Ų025 Ų250%012%0.124CC..Hα-helixtrans-63.9-44.6176.200000112N571 V573 I1278 E1563 I1565 E1571N571-A1567 PolarHBondContact ND2-O 3.34Å; V573-A1567 HydrophobicContact CB-CB 3.92Å; V573-A1567 HydrophobicContact CG1-CB 3.81Å; I1278-A1567 HydrophobicContact CD1-CB 4.02Å; I1278-A1567 HydrophobicContact CG1-CB 4.44Å; I1278-A1567 HydrophobicContact CG2-CB 4.08Å; E1563-A1567 VanDerWaalsContact O-CB 3.28Å; E1563-A1567 WeakPolarHBondContact O-CB 3.35Å; E1563-A1567 PolarHBondContact O-N 3.34Å; I1565-A1567 PolarHBondContact O-N 2.86Å; A1567-E1571 PolarHBondContact O-N 3.46Å
1568L85.6Confident83.6Confident8 Ų823.3 Ų23.34%0.04212%0.118CC..Hα-helixtrans-65.2-39.2176.1-71.8175.4000112.1A1275 I1278 E1479 H1564 I1565 A1572A1275-L1568 HydrophobicContact CB-CD2 3.65Å; I1278-L1568 HydrophobicContact CB-CD2 4.41Å; I1278-L1568 HydrophobicContact CD1-CD2 4.29Å; I1278-L1568 HydrophobicContact CG2-CD2 4.17Å; I1278-L1568 HydrophobicContact CG2-CG 4.15Å; E1479-L1568 HydrophobicContact CB-CD1 3.79Å; E1479-L1568 HydrophobicContact CG-CD1 4.02Å; H1564-L1568 VanDerWaalsContact CE1-CD1 3.47Å; H1564-L1568 WeakPolarHBondContact CE1-CD1 3.36Å; H1564-L1568 WeakPolarHBondContact O-CG 3.47Å; H1564-L1568 PolarHBondContact O-N 2.88Å; I1565-L1568 PolarHBondContact O-N 2.88Å; L1568-A1572 VanDerWaalsContact O-CB 3.25Å; L1568-A1572 WeakPolarHBondContact O-CB 3.25Å; L1568-A1572 PolarHBondContact O-N 3.24Å
1569E83.4Confident83.8Confident55 Ų5521 Ų2126%0.25711%0.107SC..Hα-helixtrans-70.7-38.7178.8-75.9175.9-139.700112.8V1476 R1480 I1565 A1566 A1572 A1573V1476-E1569 HydrophobicContact CG1-CG 4.13Å; R1480-E1569 IonicContact CZ-OE1 2.82Å; R1480-E1569 IonicContact CZ-OE2 3.71Å; R1480-E1569 IonicContact NE-OE1 3.07Å; R1480-E1569 PolarHBondContact NE-OE1 3.08Å; R1480-E1569 IonicContact NH2-OE1 3.87Å; R1480-E1569 PolarHBondContact NH2-OE1 3.11Å; R1480-E1569 IonicContact NH2-OE2 3.49Å; R1480-E1569 PolarHBondContact NH2-OE2 3.44Å; I1565-E1569 WeakPolarHBondContact CG2-OE1 3.37Å; I1565-E1569 WeakPolarHBondContact O-CG 3.39Å; I1565-E1569 PolarHBondContact O-N 2.94Å; A1566-E1569 PolarHBondContact O-N 3.07Å; E1569-A1572 PolarHBondContact O-N 3.13Å; E1569-A1573 WeakPolarHBondContact O-CB 3.16Å; E1569-A1573 PolarHBondContact O-N 3.44Å
1570K82.3Confident83.8Confident59 Ų5917.1 Ų17.126%0.2579%0.09SC..Hα-helixtrans-66.9-39174.3-73.2175.3175.4178.60111.6P572 P1115 A1566 K1574P572-K1570 HydrophobicContact CG-CD 4.42Å; P1115-K1570 PolarHBondContact O-NZ 2.98Å; A1566-K1570 WeakPolarHBondContact O-CB 3.22Å; A1566-K1570 WeakPolarHBondContact O-CG 3.45Å; A1566-K1570 PolarHBondContact O-N 2.88Å; K1570-K1574 WeakPolarHBondContact O-CB 3.31Å; K1570-K1574 PolarHBondContact O-N 3.05Å; K1570-K1574 VanDerWaalsContact O-N 3.09Å
1571E84Confident83.8Confident1 Ų117.1 Ų17.11%0.0059%0.09CC..Hα-helixtrans-69.1-41.2173.6-155.867.2-175.600111.9N571 R1270 F1271 N1274 A1567 A1573 K1574 T1575N571-E1571 VanDerWaalsContact CB-OE2 3.31Å; N571-E1571 WeakPolarHBondContact CB-OE2 3.49Å; N571-E1571 PolarHBondContact ND2-N 2.99Å; N571-E1571 PolarHBondContact ND2-OE2 3.16Å; R1270-E1571 IonicContact CZ-OE1 3.66Å; R1270-E1571 IonicContact NH1-OE1 3.96Å; R1270-E1571 PolarHBondContact NH1-OE1 2.91Å; F1271-E1571 HydrophobicContact CD2-CB 4.4Å; F1271-E1571 HydrophobicContact CD2-CG 4.18Å; F1271-E1571 HydrophobicContact CE2-CB 4.49Å; N1274-E1571 HydrophobicContact CB-CG 4.19Å; N1274-E1571 PolarHBondContact ND2-OE1 3.28Å; A1567-E1571 PolarHBondContact O-N 3.46Å; E1571-A1573 PolarHBondContact O-N 3.29Å; E1571-K1574 WeakPolarHBondContact O-CB 3.45Å; E1571-K1574 PolarHBondContact O-N 2.88Å; E1571-T1575 PolarHBondContact O-N 3.35Å; E1571-T1575 PolarHBondContact O-OG1 3.48Å
1572A84.9Confident84.1Confident13 Ų1316.7 Ų16.711%0.1079%0.088CC..Hα-helixtrans-63.1-39.5176.900000112.6F1271 I1472 V1476 L1568 E1569 T1575 A1576F1271-A1572 HydrophobicContact CE2-CB 3.8Å; F1271-A1572 HydrophobicContact CZ-CB 4.27Å; I1472-A1572 HydrophobicContact CG2-CB 3.9Å; V1476-A1572 HydrophobicContact CG2-CB 3.75Å; L1568-A1572 VanDerWaalsContact O-CB 3.25Å; L1568-A1572 WeakPolarHBondContact O-CB 3.25Å; L1568-A1572 PolarHBondContact O-N 3.24Å; E1569-A1572 PolarHBondContact O-N 3.13Å; A1572-T1575 PolarHBondContact O-N 3.18Å; A1572-A1576 VanDerWaalsContact O-CB 3.27Å; A1572-A1576 WeakPolarHBondContact O-CB 3.47Å; A1572-A1576 PolarHBondContact O-N 2.69Å
1573A80.7Confident84.1Confident29 Ų2914.3 Ų14.324%0.248%0.076CC..Hα-helixtrans-64.7-43.3174.500000111.9L1445 E1569 E1571 A1576 F1577L1445-A1573 HydrophobicContact CD1-CB 4.44Å; E1569-A1573 WeakPolarHBondContact O-CB 3.16Å; E1569-A1573 PolarHBondContact O-N 3.44Å; E1571-A1573 PolarHBondContact O-N 3.29Å; A1573-A1576 PolarHBondContact O-N 2.74Å; A1573-F1577 WeakPolarHBondContact O-CB 3.5Å; A1573-F1577 PolarHBondContact O-N 2.74Å
1574K82.9Confident83.8Confident17 Ų1714.9 Ų14.97%0.0748%0.081CC..Hα-helixtrans-59.9-45.7174.2174.3171.8174.7159.50112.1K569 K1570 E1571 F1577 R1578K569-K1574 WeakPolarHBondContact O-CD 3.3Å; K569-K1574 VanDerWaalsContact O-CE 3.29Å; K569-K1574 WeakPolarHBondContact O-CE 3.18Å; K569-K1574 PolarHBondContact O-NZ 3.4Å; K1570-K1574 WeakPolarHBondContact O-CB 3.31Å; K1570-K1574 PolarHBondContact O-N 3.05Å; K1570-K1574 VanDerWaalsContact O-N 3.09Å; E1571-K1574 WeakPolarHBondContact O-CB 3.45Å; E1571-K1574 PolarHBondContact O-N 2.88Å; K1574-F1577 PolarHBondContact O-N 3.13Å; K1574-R1578 PolarHBondContact O-N 3.16Å
1575T85.1Confident83.7Confident1 Ų115.2 Ų15.21%0.0068%0.083CC..Hα-helixtrans-66.8-42.6177.7-530000111.8E1267 F1271 I1472 E1571 A1572 F1577 R1578 F1579E1267-T1575 HydrophobicContact CB-CG2 4.43Å; F1271-T1575 HydrophobicContact CB-CG2 3.95Å; F1271-T1575 HydrophobicContact CG-CG2 4.5Å; I1472-T1575 HydrophobicContact CD1-CG2 3.54Å; E1571-T1575 PolarHBondContact O-N 3.35Å; E1571-T1575 PolarHBondContact O-OG1 3.48Å; A1572-T1575 PolarHBondContact O-N 3.18Å; T1575-F1577 VanDerWaalsContact C-N 3.33Å; T1575-F1577 PolarHBondContact O-N 2.85Å; T1575-R1578 PolarHBondContact O-N 3.28Å; T1575-F1579 HydrophobicContact CG2-CD1 4.04Å; T1575-F1579 HydrophobicContact CG2-CE1 3.7Å; T1575-F1579 HydrophobicContact CG2-CZ 3.97Å; T1575-F1579 PolarHBondContact O-N 2.87Å
1576A82Confident83.6Confident3 Ų313 Ų133%0.0257%0.072CC..Hα-helixtrans-60.7-40.8176.500000112.7M1469 A1572 A1573 T1580M1469-A1576 HydrophobicContact CE-CB 3.61Å; M1469-A1576 HydrophobicContact SD-CB 3.69Å; A1572-A1576 VanDerWaalsContact O-CB 3.27Å; A1572-A1576 WeakPolarHBondContact O-CB 3.47Å; A1572-A1576 PolarHBondContact O-N 2.69Å; A1573-A1576 PolarHBondContact O-N 2.74Å; A1576-T1580 WeakPolarHBondContact O-CB 3.24Å; A1576-T1580 PolarHBondContact O-N 3.38Å; A1576-T1580 PolarHBondContact O-OG1 3.1Å
1577F82.2Confident83.5Confident8 Ų813.3 Ų13.34%0.0357%0.072CC..Hα-helixtrans-63.3-45.1174.2175.1-98.9000111.7L515 V521 I568 A1573 K1574 T1575 T1580 L1581L515-F1577 HydrophobicContact CD1-CE1 3.59Å; L515-F1577 HydrophobicContact CD1-CZ 4.19Å; L515-F1577 HydrophobicContact CD2-CE1 4.26Å; V521-F1577 HydrophobicContact CG1-CE2 4.4Å; V521-F1577 HydrophobicContact CG1-CZ 4.33Å; V521-F1577 HydrophobicContact CG2-CZ 3.96Å; I568-F1577 HydrophobicContact CG2-CB 3.77Å; I568-F1577 HydrophobicContact CG2-CD1 3.97Å; I568-F1577 HydrophobicContact CG2-CD2 4.13Å; I568-F1577 HydrophobicContact CG2-CG 3.69Å; A1573-F1577 WeakPolarHBondContact O-CB 3.5Å; A1573-F1577 PolarHBondContact O-N 2.74Å; K1574-F1577 PolarHBondContact O-N 3.13Å; T1575-F1577 VanDerWaalsContact C-N 3.33Å; T1575-F1577 PolarHBondContact O-N 2.85Å; F1577-T1580 WeakPolarHBondContact O-CB 3.47Å; F1577-T1580 PolarHBondContact O-N 2.91Å; F1577-L1581 HydrophobicContact CD1-CD1 3.83Å; F1577-L1581 HydrophobicContact CE1-CD1 3.35Å; F1577-L1581 HydrophobicContact CE1-CG 4.31Å; F1577-L1581 HydrophobicContact CZ-CD1 3.82Å; F1577-L1581 HydrophobicContact CZ-CG 4.39Å; F1577-L1581 PolarHBondContact O-N 3.17Å
1578R84.9Confident83.2Confident21 Ų2114.2 Ų14.28%0.0798%0.08CC..Hα-helixtrans-65.4-41.5175.6-78.3-179.9160.4-169.9-11.9114Y1146 E1267 K1574 T1575 T1580 L1581 I1582Y1146-R1578 PolarHBondContact OH-NH1 3.41Å; Y1146-R1578 PolarHBondContact OH-NH2 3.46Å; E1267-R1578 VanDerWaalsContact CD-NH1 3.32Å; E1267-R1578 HydrophobicContact CG-CB 4.5Å; E1267-R1578 IonicContact OE1-CZ 2.61Å; E1267-R1578 IonicContact OE1-NE 3.45Å; E1267-R1578 IonicContact OE1-NH1 3.17Å; E1267-R1578 PolarHBondContact OE1-NH1 3.36Å; E1267-R1578 WeakPolarHBondContact OE2-CD 3.41Å; E1267-R1578 IonicContact OE2-CZ 2.66Å; E1267-R1578 IonicContact OE2-NE 3.19Å; E1267-R1578 IonicContact OE2-NH1 3.21Å; E1267-R1578 PolarHBondContact OE2-NH1 2.85Å; K1574-R1578 PolarHBondContact O-N 3.16Å; T1575-R1578 PolarHBondContact O-N 3.28Å; R1578-T1580 PolarHBondContact O-N 3.5Å; R1578-L1581 WeakPolarHBondContact O-CB 3.26Å; R1578-L1581 PolarHBondContact O-N 2.88Å; R1578-I1582 WeakPolarHBondContact O-CG1 3.37Å; R1578-I1582 PolarHBondContact O-N 3.08Å
1579F86.8Confident83Confident0 Ų014.5 Ų14.50%08%0.082CC..Hα-helixtrans-57.1-41.5171.2-81.19.7000111.6L1264 E1267 L1268 F1465 A1468 M1469 I1472 T1575 I1582 R1583L1264-F1579 HydrophobicContact CD2-CB 4Å; L1264-F1579 HydrophobicContact CD2-CD1 3.72Å; L1264-F1579 HydrophobicContact CD2-CE1 4.37Å; L1264-F1579 HydrophobicContact CD2-CG 3.87Å; L1264-F1579 WeakPolarHBondContact O-CE1 3.25Å; E1267-F1579 HydrophobicContact CB-CD1 4.02Å; E1267-F1579 HydrophobicContact CB-CE1 3.67Å; L1268-F1579 HydrophobicContact CB-CE1 4.37Å; L1268-F1579 HydrophobicContact CB-CZ 3.87Å; L1268-F1579 HydrophobicContact CD1-CZ 4.11Å; F1465-F1579 HydrophobicContact CD2-CB 3.9Å; F1465-F1579 HydrophobicContact CE2-CB 3.74Å; A1468-F1579 HydrophobicContact CB-CD2 4.39Å; A1468-F1579 HydrophobicContact CB-CE2 3.68Å; A1468-F1579 HydrophobicContact CB-CZ 4.27Å; M1469-F1579 HydrophobicContact CG-CD2 4.07Å; M1469-F1579 HydrophobicContact SD-CB 4.46Å; M1469-F1579 HydrophobicContact SD-CD2 3.74Å; M1469-F1579 HydrophobicContact SD-CE2 4.49Å; I1472-F1579 HydrophobicContact CD1-CD2 4.16Å; I1472-F1579 HydrophobicContact CD1-CE2 3.41Å; I1472-F1579 VanDerWaalsContact CD1-CE2 3.41Å; I1472-F1579 HydrophobicContact CD1-CZ 3.65Å; I1472-F1579 HydrophobicContact CG1-CE2 4.37Å; T1575-F1579 HydrophobicContact CG2-CD1 4.04Å; T1575-F1579 HydrophobicContact CG2-CE1 3.7Å; T1575-F1579 HydrophobicContact CG2-CZ 3.97Å; T1575-F1579 PolarHBondContact O-N 2.87Å; F1579-I1582 PolarHBondContact O-N 3.16Å; F1579-R1583 WeakPolarHBondContact O-CB 3.49Å; F1579-R1583 PolarHBondContact O-N 2.97Å
1580T80.5Confident82.9Confident4 Ų412 Ų123%0.0257%0.07CC..Hα-helixtrans-68.1-38.1-179.3-560000111.3F559 A1576 F1577 R1578 A1584F559-T1580 HydrophobicContact CE2-CG2 3.79Å; F559-T1580 HydrophobicContact CZ-CG2 3.9Å; A1576-T1580 WeakPolarHBondContact O-CB 3.24Å; A1576-T1580 PolarHBondContact O-N 3.38Å; A1576-T1580 PolarHBondContact O-OG1 3.1Å; F1577-T1580 WeakPolarHBondContact O-CB 3.47Å; F1577-T1580 PolarHBondContact O-N 2.91Å; R1578-T1580 PolarHBondContact O-N 3.5Å; T1580-A1584 WeakPolarHBondContact O-CB 3.44Å; T1580-A1584 PolarHBondContact O-N 2.75Å
1581L83.3Confident82.8Confident0 Ų011.9 Ų11.90%08%0.077CC..Hα-helixtrans-60.3-52.6169.4-79.5163.6000112.5L515 W519 I524 F1577 R1578 R1583 A1584 Q1585L515-L1581 HydrophobicContact CD2-CD1 3.5Å; L515-L1581 VanDerWaalsContact CD2-CD1 3.5Å; W519-L1581 HydrophobicContact CE3-CB 4.38Å; W519-L1581 HydrophobicContact CZ3-CB 4.46Å; I524-L1581 HydrophobicContact CD1-CD2 3.28Å; I524-L1581 HydrophobicContact CG1-CD2 3.9Å; F1577-L1581 HydrophobicContact CD1-CD1 3.83Å; F1577-L1581 HydrophobicContact CE1-CD1 3.35Å; F1577-L1581 HydrophobicContact CE1-CG 4.31Å; F1577-L1581 HydrophobicContact CZ-CD1 3.82Å; F1577-L1581 HydrophobicContact CZ-CG 4.39Å; F1577-L1581 PolarHBondContact O-N 3.17Å; R1578-L1581 WeakPolarHBondContact O-CB 3.26Å; R1578-L1581 PolarHBondContact O-N 2.88Å; L1581-R1583 VanDerWaalsContact C-N 3.33Å; L1581-R1583 PolarHBondContact O-N 2.75Å; L1581-A1584 PolarHBondContact O-N 3.46Å; L1581-Q1585 WeakPolarHBondContact O-CB 3.45Å; L1581-Q1585 PolarHBondContact O-N 3.35Å
1582I87.3Confident82.6Confident1 Ų113.6 Ų13.61%0.0059%0.086CC..Hα-helixtrans-58.4-45.1-178.8-67.9162.1000110.7Y512 W519 Y1260 L1263 L1264 E1267 R1578 F1579 G1586Y512-I1582 HydrophobicContact CE2-CG1 4.47Å; W519-I1582 HydrophobicContact CH2-CG1 4.2Å; W519-I1582 HydrophobicContact CZ3-CG1 4.17Å; Y1260-I1582 HydrophobicContact CD1-CG2 4.26Å; L1263-I1582 HydrophobicContact CB-CD1 4.15Å; L1263-I1582 HydrophobicContact CB-CG2 4.04Å; L1264-I1582 HydrophobicContact CD2-CB 3.89Å; L1264-I1582 HydrophobicContact CD2-CD1 4.17Å; L1264-I1582 HydrophobicContact CD2-CG2 3.77Å; L1264-I1582 HydrophobicContact CG-CG2 3.84Å; E1267-I1582 HydrophobicContact CG-CD1 3.93Å; R1578-I1582 WeakPolarHBondContact O-CG1 3.37Å; R1578-I1582 PolarHBondContact O-N 3.08Å; F1579-I1582 PolarHBondContact O-N 3.16Å; I1582-G1586 PolarHBondContact O-N 2.72Å
1583R83.6Confident82.3Confident16 Ų1613.7 Ų13.76%0.069%0.085CC..Hα-helixtrans-59.9-53.4174.7179.7-167.557.878.2-0.1111.6D1448 F1465 F1579 L1581 Q1585 G1586 S1587D1448-R1583 IonicContact OD2-CZ 2.87Å; D1448-R1583 IonicContact OD2-NH1 3.72Å; D1448-R1583 PolarHBondContact OD2-NH1 3.04Å; D1448-R1583 IonicContact OD2-NH2 3.56Å; D1448-R1583 PolarHBondContact OD2-NH2 2.77Å; F1465-R1583 HydrophobicContact CD2-CB 4.12Å; F1465-R1583 HydrophobicContact CG-CB 4.31Å; F1465-R1583 HydrophobicContact CG-CG 4.4Å; F1579-R1583 WeakPolarHBondContact O-CB 3.49Å; F1579-R1583 PolarHBondContact O-N 2.97Å; L1581-R1583 VanDerWaalsContact C-N 3.33Å; L1581-R1583 PolarHBondContact O-N 2.75Å; R1583-Q1585 VanDerWaalsContact C-N 3.34Å; R1583-Q1585 PolarHBondContact O-N 3.31Å; R1583-G1586 PolarHBondContact O-N 2.83Å; R1583-S1587 PolarHBondContact O-N 3.39Å; R1583-S1587 PolarHBondContact O-OG 3.35Å
1584A79.9Confident82.3Confident12 Ų1214.4 Ų14.410%0.0998%0.083CC..Hα-helixtrans-63.5-40-173.900000112.1I524 F559 T1580 L1581 A1588I524-A1584 HydrophobicContact CG2-CB 3.6Å; F559-A1584 HydrophobicContact CE2-CB 3.89Å; F559-A1584 HydrophobicContact CZ-CB 4.43Å; T1580-A1584 WeakPolarHBondContact O-CB 3.44Å; T1580-A1584 PolarHBondContact O-N 2.75Å; L1581-A1584 PolarHBondContact O-N 3.46Å; A1584-A1588 WeakPolarHBondContact O-CB 3.39Å; A1584-A1588 PolarHBondContact O-N 3.42Å; A1584-A1588 VanDerWaalsContact O-N 3.15Å
1585Q83.5Confident82.2Confident8 Ų818.5 Ų18.54%0.03710%0.103CC..Hα-helixtrans-69.2-42.3174.5-172.764.40.900112W519 I524 L1581 R1583 A1588 V1589W519-Q1585 HydrophobicContact CE3-CB 4.38Å; W519-Q1585 HydrophobicContact CH2-CB 4.29Å; W519-Q1585 HydrophobicContact CH2-CG 4.27Å; W519-Q1585 HydrophobicContact CZ3-CB 3.83Å; W519-Q1585 HydrophobicContact CZ3-CG 4.14Å; I524-Q1585 HydrophobicContact CG2-CB 4.33Å; L1581-Q1585 WeakPolarHBondContact O-CB 3.45Å; L1581-Q1585 PolarHBondContact O-N 3.35Å; R1583-Q1585 VanDerWaalsContact C-N 3.34Å; R1583-Q1585 PolarHBondContact O-N 3.31Å; Q1585-A1588 PolarHBondContact O-N 2.87Å; Q1585-V1589 WeakPolarHBondContact O-CG2 3.46Å; Q1585-V1589 PolarHBondContact O-N 2.95Å
1586G83.8Confident81.8Confident0 Ų020.7 Ų20.70%011%0.112CC..Hα-helixtrans-60-49176.700000112.6I1582 R1583 A1588 V1589 L1590I1582-G1586 PolarHBondContact O-N 2.72Å; R1583-G1586 PolarHBondContact O-N 2.83Å; G1586-A1588 PolarHBondContact O-N 2.85Å; G1586-V1589 PolarHBondContact O-N 2.96Å; G1586-L1590 WeakPolarHBondContact O-CB 3.25Å; G1586-L1590 WeakPolarHBondContact O-CD1 3.47Å; G1586-L1590 WeakPolarHBondContact O-CG 3.46Å; G1586-L1590 PolarHBondContact O-N 3Å
1587S81Confident81.7Confident24 Ų2422.1 Ų22.117%0.16812%0.118CC..Hα-helixtrans-58.1-44.9174.9-64.10000112.4R1583 L1590 S1591R1583-S1587 PolarHBondContact O-N 3.39Å; R1583-S1587 PolarHBondContact O-OG 3.35Å; S1587-L1590 PolarHBondContact O-N 3.35Å; S1587-S1591 PolarHBondContact O-N 2.91Å; S1587-S1591 PolarHBondContact O-OG 2.78Å
1588A79.7Confident81.7Confident19 Ų1925.2 Ų25.216%0.15714%0.14CC..Hα-helixtrans-63.6-44.2-178.600000113A1584 Q1585 G1586 D1592A1584-A1588 WeakPolarHBondContact O-CB 3.39Å; A1584-A1588 PolarHBondContact O-N 3.42Å; A1584-A1588 VanDerWaalsContact O-N 3.15Å; Q1585-A1588 PolarHBondContact O-N 2.87Å; G1586-A1588 PolarHBondContact O-N 2.85Å; A1588-D1592 WeakPolarHBondContact O-CB 3.39Å; A1588-D1592 PolarHBondContact O-N 3.26Å; A1588-D1592 VanDerWaalsContact O-N 3.1Å
1589V80.9Confident81.5Confident14 Ų1429 Ų299%0.08516%0.159CC..Hα-helixtrans-68.5-36.8178.5176.50000111.5L1256 Q1585 G1586 L1593L1256-V1589 HydrophobicContact CD2-CG1 4.07Å; Q1585-V1589 WeakPolarHBondContact O-CG2 3.46Å; Q1585-V1589 PolarHBondContact O-N 2.95Å; G1586-V1589 PolarHBondContact O-N 2.96Å; V1589-L1593 HydrophobicContact CG1-CD1 4.18Å; V1589-L1593 WeakPolarHBondContact O-CG 3.49Å; V1589-L1593 PolarHBondContact O-N 3.18Å; V1589-L1593 VanDerWaalsContact O-N 3.09Å
1590L81.9Confident81.2Confident1 Ų129.3 Ų29.31%0.00516%0.16CC..Hα-helixtrans-64.4-45.9176.1-70.1164000111.7Q1253 L1256 I1257 I1458 L1461 G1586 S1587 L1593 Q1594Q1253-L1590 HydrophobicContact CG-CD2 3.69Å; L1256-L1590 HydrophobicContact CB-CD2 4.49Å; L1256-L1590 HydrophobicContact CD2-CD2 4Å; L1256-L1590 HydrophobicContact CG-CD2 4.31Å; I1257-L1590 HydrophobicContact CD1-CD1 4.36Å; I1257-L1590 HydrophobicContact CD1-CD2 4.3Å; I1257-L1590 HydrophobicContact CG1-CD1 3.61Å; I1257-L1590 HydrophobicContact CG1-CD2 3.74Å; I1257-L1590 HydrophobicContact CG1-CG 4.35Å; I1458-L1590 HydrophobicContact CD1-CB 4.14Å; I1458-L1590 HydrophobicContact CG1-CB 4.18Å; I1458-L1590 HydrophobicContact CG1-CD1 4.35Å; L1461-L1590 HydrophobicContact CD2-CD1 4.18Å; G1586-L1590 WeakPolarHBondContact O-CB 3.25Å; G1586-L1590 WeakPolarHBondContact O-CD1 3.47Å; G1586-L1590 WeakPolarHBondContact O-CG 3.46Å; G1586-L1590 PolarHBondContact O-N 3Å; S1587-L1590 PolarHBondContact O-N 3.35Å; L1590-L1593 PolarHBondContact O-N 2.74Å; L1590-Q1594 WeakPolarHBondContact O-CG 3.37Å; L1590-Q1594 PolarHBondContact O-N 2.84Å
1591S80.7Confident81.4Confident58 Ų5834 Ų3441%0.40618%0.18SC..Hα-helixtrans-64.1-41.4177.5-63.90000113I1458 S1587 L1593 Q1594 E1595I1458-S1591 WeakPolarHBondContact CD1-OG 3.3Å; S1587-S1591 PolarHBondContact O-N 2.91Å; S1587-S1591 PolarHBondContact O-OG 2.78Å; S1591-L1593 PolarHBondContact O-N 3.39Å; S1591-Q1594 PolarHBondContact O-N 3Å; S1591-E1595 WeakPolarHBondContact O-CB 3.42Å; S1591-E1595 PolarHBondContact O-N 3.36Å
1592D78.1Confident81.5Confident37 Ų3739.7 Ų39.720%0.19821%0.207CC..Hα-helixtrans-61.8-40.5175.516460.3000112.5L527 A1588 K1596L527-D1592 HydrophobicContact CD1-CB 3.5Å; L527-D1592 VanDerWaalsContact CD1-CB 3.5Å; A1588-D1592 WeakPolarHBondContact O-CB 3.39Å; A1588-D1592 PolarHBondContact O-N 3.26Å; A1588-D1592 VanDerWaalsContact O-N 3.1Å; D1592-K1596 WeakPolarHBondContact O-CB 3.26Å; D1592-K1596 WeakPolarHBondContact O-CD 3.38Å; D1592-K1596 VanDerWaalsContact O-CG 3.24Å; D1592-K1596 WeakPolarHBondContact O-CG 3.46Å; D1592-K1596 PolarHBondContact O-N 3.06Å; D1592-K1596 WeakPolarHBondContact OD1-CE 3.47Å; D1592-K1596 IonicContact OD1-NZ 2.73Å; D1592-K1596 PolarHBondContact OD1-NZ 2.97Å; D1592-K1596 IonicContact OD2-NZ 3.73Å; D1592-K1596 PolarHBondContact OD2-NZ 3.43Å
1593L78.8Confident81.3Confident15 Ų1544.3 Ų44.38%0.07923%0.227CC..Hα-helixtrans-66.2-39.2174-72.8171.7000112.6I1164 L1256 V1589 L1590 S1591 K1596 F1597I1164-L1593 HydrophobicContact CD1-CD1 4.28Å; I1164-L1593 HydrophobicContact CD1-CD2 4.45Å; I1164-L1593 HydrophobicContact CG2-CD2 4.25Å; L1256-L1593 HydrophobicContact CD2-CD1 3.42Å; L1256-L1593 VanDerWaalsContact CD2-CD1 3.42Å; V1589-L1593 HydrophobicContact CG1-CD1 4.18Å; V1589-L1593 WeakPolarHBondContact O-CG 3.49Å; V1589-L1593 PolarHBondContact O-N 3.18Å; V1589-L1593 VanDerWaalsContact O-N 3.09Å; L1590-L1593 PolarHBondContact O-N 2.74Å; S1591-L1593 PolarHBondContact O-N 3.39Å; L1593-K1596 PolarHBondContact O-N 3.21Å; L1593-F1597 PolarHBondContact O-N 2.89Å
1594Q81.7Confident81.4Confident43 Ų4343.6 Ų43.620%0.20122%0.224CC..Hα-helixtrans-68.7-38.8176.1-71.5-176.4-49.300112.6F1249 D1455 L1590 S1591 F1597 S1598F1249-Q1594 HydrophobicContact CE1-CG 4.39Å; F1249-Q1594 HydrophobicContact CZ-CG 4.47Å; D1455-Q1594 PolarHBondContact OD2-NE2 2.87Å; L1590-Q1594 WeakPolarHBondContact O-CG 3.37Å; L1590-Q1594 PolarHBondContact O-N 2.84Å; S1591-Q1594 PolarHBondContact O-N 3Å; Q1594-F1597 PolarHBondContact O-N 3.06Å; Q1594-S1598 WeakPolarHBondContact O-CB 3.5Å; Q1594-S1598 PolarHBondContact O-N 3.06Å; Q1594-S1598 PolarHBondContact O-OG 3.26Å
1595E80.3Confident81.8Confident104 Ų10446 Ų4649%0.48624%0.238SC..Hα-helixtrans-61.8-48.1172.8-170.3-156.9119.400110.5K444 S1591 F1597 S1598 H1599K444-E1595 IonicContact NZ-OE1 3.89Å; S1591-E1595 WeakPolarHBondContact O-CB 3.42Å; S1591-E1595 PolarHBondContact O-N 3.36Å; E1595-F1597 VanDerWaalsContact C-N 3.34Å; E1595-F1597 PolarHBondContact O-N 3.39Å; E1595-S1598 PolarHBondContact O-N 2.76Å; E1595-H1599 WeakPolarHBondContact O-CB 3.46Å; E1595-H1599 PolarHBondContact O-N 2.98Å
1596K77.2Confident82Confident47 Ų4749.2 Ų49.220%0.20426%0.256CS..Hα-helixtrans-58.2-42.1176.5-77164.7173.9157.70112.6M1168 D1592 L1593 L1600M1168-K1596 HydrophobicContact CE-CB 4.14Å; M1168-K1596 WeakPolarHBondContact CE-O 3.38Å; D1592-K1596 WeakPolarHBondContact O-CB 3.26Å; D1592-K1596 WeakPolarHBondContact O-CD 3.38Å; D1592-K1596 VanDerWaalsContact O-CG 3.24Å; D1592-K1596 WeakPolarHBondContact O-CG 3.46Å; D1592-K1596 PolarHBondContact O-N 3.06Å; D1592-K1596 WeakPolarHBondContact OD1-CE 3.47Å; D1592-K1596 IonicContact OD1-NZ 2.73Å; D1592-K1596 PolarHBondContact OD1-NZ 2.97Å; D1592-K1596 IonicContact OD2-NZ 3.73Å; D1592-K1596 PolarHBondContact OD2-NZ 3.43Å; L1593-K1596 PolarHBondContact O-N 3.21Å; K1596-L1600 WeakPolarHBondContact O-CB 3.3Å; K1596-L1600 PolarHBondContact O-N 3.37Å
1597F80.5Confident82.1Confident33 Ų3350.5 Ų50.515%0.14526%0.264CS..Hα-helixtrans-69.6-38.6177-170.2-100.6000112.2L1243 F1249 L1593 Q1594 E1595 L1600 K1601L1243-F1597 HydrophobicContact CB-CZ 4.32Å; L1243-F1597 HydrophobicContact CD2-CE1 4.42Å; L1243-F1597 HydrophobicContact CD2-CE2 3.92Å; L1243-F1597 HydrophobicContact CD2-CZ 3.7Å; F1249-F1597 HydrophobicContact CB-CD2 4.36Å; F1249-F1597 HydrophobicContact CB-CE2 3.93Å; F1249-F1597 HydrophobicContact CB-CZ 4.04Å; F1249-F1597 HydrophobicContact CD1-CD1 4.09Å; F1249-F1597 HydrophobicContact CD1-CD2 4.38Å; F1249-F1597 HydrophobicContact CD1-CE1 4.29Å; F1249-F1597 HydrophobicContact CD1-CG 4.12Å; F1249-F1597 HydrophobicContact CD2-CB 4.24Å; F1249-F1597 AromaticContact CD2-CD2 3.51Å; F1249-F1597 HydrophobicContact CD2-CD2 3.51Å; F1249-F1597 AromaticContact CD2-CE2 3.94Å; F1249-F1597 HydrophobicContact CD2-CE2 3.94Å; F1249-F1597 AromaticContact CD2-CG 3.88Å; F1249-F1597 HydrophobicContact CD2-CG 3.88Å; F1249-F1597 HydrophobicContact CE1-CB 4.14Å; F1249-F1597 HydrophobicContact CE1-CD1 4.21Å; F1249-F1597 HydrophobicContact CE1-CG 4.1Å; F1249-F1597 HydrophobicContact CE2-CB 3.69Å; F1249-F1597 AromaticContact CE2-CD2 3.85Å; F1249-F1597 HydrophobicContact CE2-CD2 3.85Å; F1249-F1597 AromaticContact CE2-CG 3.85Å; F1249-F1597 HydrophobicContact CE2-CG 3.85Å; F1249-F1597 HydrophobicContact CG-CD1 4.3Å; F1249-F1597 AromaticContact CG-CD2 3.81Å; F1249-F1597 HydrophobicContact CG-CD2 3.81Å; F1249-F1597 HydrophobicContact CG-CE1 4.35Å; F1249-F1597 AromaticContact CG-CE2 3.88Å; F1249-F1597 HydrophobicContact CG-CE2 3.88Å; F1249-F1597 HydrophobicContact CG-CG 4.02Å; F1249-F1597 HydrophobicContact CG-CZ 4.15Å; F1249-F1597 HydrophobicContact CZ-CB 3.63Å; F1249-F1597 HydrophobicContact CZ-CD2 4.41Å; F1249-F1597 AromaticContact CZ-CG 3.96Å; F1249-F1597 HydrophobicContact CZ-CG 3.96Å; L1593-F1597 PolarHBondContact O-N 2.89Å; Q1594-F1597 PolarHBondContact O-N 3.06Å; E1595-F1597 VanDerWaalsContact C-N 3.34Å; E1595-F1597 PolarHBondContact O-N 3.39Å; F1597-L1600 WeakPolarHBondContact O-CB 3.41Å; F1597-L1600 PolarHBondContact O-N 3.39Å; F1597-K1601 PolarHBondContact O-N 3.43Å
1598S81.3Confident82.5Confident73 Ų7349.6 Ų49.651%0.5126%0.257SS..Hα-helixtrans-64-44.4175.2-57.30000111.8Q1594 E1595 K1601 Q1602Q1594-S1598 WeakPolarHBondContact O-CB 3.5Å; Q1594-S1598 PolarHBondContact O-N 3.06Å; Q1594-S1598 PolarHBondContact O-OG 3.26Å; E1595-S1598 PolarHBondContact O-N 2.76Å; S1598-K1601 PolarHBondContact O-N 3.47Å; S1598-Q1602 PolarHBondContact O-N 3.44Å
1599H80.4Confident82.9Confident100 Ų10050.1 Ų50.146%0.46327%0.265SS..Hα-helixtrans-66.5-34.6174.6-172.7-41.5000112.1E1595 F1603E1595-H1599 WeakPolarHBondContact O-CB 3.46Å; E1595-H1599 PolarHBondContact O-N 2.98Å; H1599-F1603 WeakPolarHBondContact O-CB 3.45Å; H1599-F1603 PolarHBondContact O-N 2.91Å
1600L81.1Confident83.3Confident6 Ų654 Ų543%0.03128%0.284CS..Hα-helixtrans-62-47.2171.5169.562.4000110.9M1168 K1172 K1596 F1597 F1603 M1604M1168-L1600 HydrophobicContact CB-CD2 4.04Å; M1168-L1600 HydrophobicContact CE-CB 3.82Å; M1168-L1600 HydrophobicContact CE-CD2 3.62Å; M1168-L1600 HydrophobicContact CE-CG 4.33Å; M1168-L1600 HydrophobicContact CG-CD2 4.04Å; K1172-L1600 HydrophobicContact CD-CD1 4.22Å; K1172-L1600 HydrophobicContact CG-CD1 3.5Å; K1596-L1600 WeakPolarHBondContact O-CB 3.3Å; K1596-L1600 PolarHBondContact O-N 3.37Å; F1597-L1600 WeakPolarHBondContact O-CB 3.41Å; F1597-L1600 PolarHBondContact O-N 3.39Å; L1600-F1603 PolarHBondContact O-N 2.93Å; L1600-M1604 HydrophobicContact CD1-CE 3.68Å; L1600-M1604 HydrophobicContact CD1-CG 4.25Å; L1600-M1604 HydrophobicContact CD1-SD 3.96Å; L1600-M1604 HydrophobicContact CD2-CE 4.32Å; L1600-M1604 HydrophobicContact CG-CE 3.67Å; L1600-M1604 WeakPolarHBondContact O-CG 3.33Å; L1600-M1604 PolarHBondContact O-N 2.89Å; L1600-M1604 VanDerWaalsContact O-N 3.08Å
1601K83.4Confident83.6Confident103 Ų10354.5 Ų54.545%0.44829%0.286SS..Hα-helixtrans-60.1-47.3177.2-180167.7-170.9165.20111.7L1243 F1597 S1598 M1604 T1605L1243-K1601 HydrophobicContact CD1-CB 3.97Å; L1243-K1601 HydrophobicContact CD1-CD 3.87Å; L1243-K1601 HydrophobicContact CD1-CG 3.62Å; F1597-K1601 PolarHBondContact O-N 3.43Å; S1598-K1601 PolarHBondContact O-N 3.47Å; K1601-M1604 PolarHBondContact O-N 3.27Å; K1601-T1605 PolarHBondContact O-N 3.37Å; K1601-T1605 PolarHBondContact O-OG1 3.06Å
1602Q85.7Confident84Confident119 Ų11952.3 Ų52.356%0.55627%0.27SS*.Hα-helixtrans-62.8-48.6177.7-176175.7-7.900112S1598 M1604 T1605 D1606S1598-Q1602 PolarHBondContact O-N 3.44Å; Q1602-M1604 PolarHBondContact O-N 3Å; Q1602-T1605 WeakPolarHBondContact CA-OG1 3.47Å; Q1602-T1605 PolarHBondContact O-N 3.33Å; Q1602-T1605 VanDerWaalsContact O-N 3.08Å; Q1602-T1605 PolarHBondContact O-OG1 3.15Å; Q1602-D1606 WeakPolarHBondContact O-CB 3.2Å; Q1602-D1606 PolarHBondContact O-N 2.89Å
1603F84.2Confident84.6Confident98 Ų9855.9 Ų55.943%0.4329%0.289SS..Hα-helixtrans-55.5-38.7176.7173.8-97.6000112.3H1599 L1600 D1606 C1607H1599-F1603 WeakPolarHBondContact O-CB 3.45Å; H1599-F1603 PolarHBondContact O-N 2.91Å; L1600-F1603 PolarHBondContact O-N 2.93Å; F1603-D1606 PolarHBondContact O-N 3.29Å; F1603-C1607 PolarHBondContact O-N 3.11Å; F1603-C1607 PolarHBondContact O-SG 3.14Å
1604M85.3Confident85.1Confident1 Ų159 Ų591%0.00530%0.302CS..Hα-helixtrans-74.8-33.6177.3-69.1-170.2-61.100113.3I1171 F1175 L1239 L1243 L1600 K1601 Q1602 C1607 I1608I1171-M1604 HydrophobicContact CG2-CE 3.9Å; I1171-M1604 HydrophobicContact CG2-SD 4.08Å; F1175-M1604 HydrophobicContact CB-SD 3.97Å; F1175-M1604 HydrophobicContact CD1-CB 3.92Å; F1175-M1604 HydrophobicContact CD1-CG 3.71Å; F1175-M1604 HydrophobicContact CD1-SD 3.75Å; F1175-M1604 HydrophobicContact CE1-CB 3.66Å; F1175-M1604 HydrophobicContact CE1-CG 3.99Å; F1175-M1604 WeakPolarHBondContact CE1-O 3.45Å; F1175-M1604 HydrophobicContact CE1-SD 4.45Å; F1175-M1604 HydrophobicContact CG-CG 4.47Å; F1175-M1604 HydrophobicContact CG-SD 3.93Å; F1175-M1604 HydrophobicContact CZ-CB 4.31Å; L1239-M1604 HydrophobicContact CD1-CB 3.57Å; L1239-M1604 HydrophobicContact CD1-CE 3.64Å; L1239-M1604 HydrophobicContact CD1-CG 4.41Å; L1239-M1604 HydrophobicContact CD1-SD 4.13Å; L1239-M1604 HydrophobicContact CD2-CB 4.25Å; L1243-M1604 HydrophobicContact CD1-CE 4.4Å; L1243-M1604 HydrophobicContact CD2-CE 3.7Å; L1243-M1604 HydrophobicContact CG-CE 4.15Å; L1600-M1604 HydrophobicContact CD1-CE 3.68Å; L1600-M1604 HydrophobicContact CD1-CG 4.25Å; L1600-M1604 HydrophobicContact CD1-SD 3.96Å; L1600-M1604 HydrophobicContact CD2-CE 4.32Å; L1600-M1604 HydrophobicContact CG-CE 3.67Å; L1600-M1604 WeakPolarHBondContact O-CG 3.33Å; L1600-M1604 PolarHBondContact O-N 2.89Å; L1600-M1604 VanDerWaalsContact O-N 3.08Å; K1601-M1604 PolarHBondContact O-N 3.27Å; Q1602-M1604 PolarHBondContact O-N 3Å; M1604-C1607 PolarHBondContact O-N 3.36Å; M1604-I1608 WeakPolarHBondContact O-CG1 3.38Å; M1604-I1608 PolarHBondContact O-N 2.69Å
1605T87.7Confident85.5Confident63 Ų6357.1 Ų57.139%0.38729%0.293SS..Hα-helixtrans-65.6-39.6168.948.40000112L1239 K1601 Q1602 C1607 I1608 G1609L1239-T1605 HydrophobicContact CD2-CG2 3.56Å; K1601-T1605 PolarHBondContact O-N 3.37Å; K1601-T1605 PolarHBondContact O-OG1 3.06Å; Q1602-T1605 WeakPolarHBondContact CA-OG1 3.47Å; Q1602-T1605 PolarHBondContact O-N 3.33Å; Q1602-T1605 VanDerWaalsContact O-N 3.08Å; Q1602-T1605 PolarHBondContact O-OG1 3.15Å; T1605-C1607 VanDerWaalsContact C-N 3.3Å; T1605-C1607 PolarHBondContact O-N 3.07Å; T1605-I1608 WeakPolarHBondContact O-CB 3.36Å; T1605-I1608 PolarHBondContact O-N 3.36Å; T1605-I1608 VanDerWaalsContact O-N 3.12Å; T1605-G1609 PolarHBondContact O-N 2.95Å
1606D87.8Confident86.1Confident76 Ų7654.2 Ų54.241%0.40628%0.279SS..Hα-helixtrans-64.9-36.6179-61.1-14.6000110.7Q1602 F1603 I1608 G1609 I1610Q1602-D1606 WeakPolarHBondContact O-CB 3.2Å; Q1602-D1606 PolarHBondContact O-N 2.89Å; F1603-D1606 PolarHBondContact O-N 3.29Å; D1606-I1608 PolarHBondContact O-N 2.98Å; D1606-G1609 PolarHBondContact O-N 3.47Å; D1606-I1610 WeakPolarHBondContact O-CB 3.42Å; D1606-I1610 VanDerWaalsContact O-CG1 3.26Å; D1606-I1610 WeakPolarHBondContact O-CG1 3.49Å; D1606-I1610 PolarHBondContact O-N 2.86Å
1607C86.3Confident86.7Confident26 Ų2656.6 Ų56.618%0.17629%0.294CS..Hα-helixtrans-61.7-38.5171.8-69.80000113.2F1175 L1179 F1603 M1604 T1605 K1611F1175-C1607 HydrophobicContact CE1-CB 4.37Å; L1179-C1607 HydrophobicContact CD1-CB 4.16Å; F1603-C1607 PolarHBondContact O-N 3.11Å; F1603-C1607 PolarHBondContact O-SG 3.14Å; M1604-C1607 PolarHBondContact O-N 3.36Å; T1605-C1607 VanDerWaalsContact C-N 3.3Å; T1605-C1607 PolarHBondContact O-N 3.07Å; C1607-K1611 WeakPolarHBondContact O-CB 3.43Å; C1607-K1611 PolarHBondContact O-N 3.47Å
1608I89.8Confident87.3Confident5 Ų555.1 Ų55.13%0.02629%0.288CS..Hα-helixtrans-63.1-49.4173.2-58.6172.9000109.4F1175 L1179 K1232 N1235 E1236 L1239 M1604 T1605 D1606 I1610 K1611 T1612F1175-I1608 HydrophobicContact CE1-CG1 4.44Å; F1175-I1608 HydrophobicContact CZ-CD1 3.94Å; F1175-I1608 HydrophobicContact CZ-CG1 3.69Å; L1179-I1608 HydrophobicContact CD2-CG1 4.44Å; K1232-I1608 HydrophobicContact CG-CG2 4.05Å; N1235-I1608 HydrophobicContact CB-CD1 3.9Å; N1235-I1608 HydrophobicContact CB-CG1 4Å; N1235-I1608 HydrophobicContact CB-CG2 4.14Å; E1236-I1608 HydrophobicContact CG-CD1 3.9Å; L1239-I1608 HydrophobicContact CB-CD1 4.36Å; L1239-I1608 HydrophobicContact CD2-CD1 3.83Å; M1604-I1608 WeakPolarHBondContact O-CG1 3.38Å; M1604-I1608 PolarHBondContact O-N 2.69Å; T1605-I1608 WeakPolarHBondContact O-CB 3.36Å; T1605-I1608 PolarHBondContact O-N 3.36Å; T1605-I1608 VanDerWaalsContact O-N 3.12Å; D1606-I1608 PolarHBondContact O-N 2.98Å; I1608-I1610 PolarHBondContact O-N 3.3Å; I1608-K1611 PolarHBondContact O-N 3.12Å; I1608-T1612 HydrophobicContact CG2-CG2 4.18Å; I1608-T1612 WeakPolarHBondContact O-CG2 3.3Å; I1608-T1612 PolarHBondContact O-N 3.06Å; I1608-T1612 PolarHBondContact O-OG1 3.47Å
1609G88.9Confident87.8Confident30 Ų3051.7 Ų51.731%0.30926%0.264SS..Hα-helixtrans-55.6-51.8179.100000112.2T1605 D1606 K1611 T1612 L1613T1605-G1609 PolarHBondContact O-N 2.95Å; D1606-G1609 PolarHBondContact O-N 3.47Å; G1609-K1611 PolarHBondContact O-N 3Å; G1609-T1612 PolarHBondContact O-N 3.36Å; G1609-T1612 PolarHBondContact O-OG1 3.48Å; G1609-L1613 WeakPolarHBondContact O-CG 3.41Å; G1609-L1613 PolarHBondContact O-N 2.88Å
1610I88.5Confident88.3Confident96 Ų9649.9 Ų49.949%0.49226%0.258SS..Hα-helixtrans-59.2-43.1178.2-68.2163.8000111.6D1606 I1608 K1614D1606-I1610 WeakPolarHBondContact O-CB 3.42Å; D1606-I1610 VanDerWaalsContact O-CG1 3.26Å; D1606-I1610 WeakPolarHBondContact O-CG1 3.49Å; D1606-I1610 PolarHBondContact O-N 2.86Å; I1608-I1610 PolarHBondContact O-N 3.3Å; I1610-K1614 WeakPolarHBondContact O-CG 3.19Å; I1610-K1614 PolarHBondContact O-N 2.99Å
1611K88Confident88.7Confident12 Ų1253.6 Ų53.65%0.05228%0.278CS..Hα-helixtrans-63.3-51.4177-172.7158.6-163-85.50110.9L1179 C1607 I1608 G1609 L1613 K1614 E1615 E1645L1179-K1611 HydrophobicContact CB-CD 4.11Å; L1179-K1611 HydrophobicContact CD2-CD 4.41Å; L1179-K1611 WeakPolarHBondContact O-CE 3.49Å; L1179-K1611 PolarHBondContact O-NZ 2.88Å; C1607-K1611 WeakPolarHBondContact O-CB 3.43Å; C1607-K1611 PolarHBondContact O-N 3.47Å; I1608-K1611 PolarHBondContact O-N 3.12Å; G1609-K1611 PolarHBondContact O-N 3Å; K1611-L1613 VanDerWaalsContact C-N 3.31Å; K1611-L1613 PolarHBondContact O-N 3.42Å; K1611-K1614 PolarHBondContact O-N 2.88Å; K1611-K1614 VanDerWaalsContact O-N 3.08Å; K1611-E1615 HydrophobicContact CG-CG 4.28Å; K1611-E1615 WeakPolarHBondContact CG-OE1 3.5Å; K1611-E1615 IonicContact NZ-OE1 3.76Å; K1611-E1615 PolarHBondContact NZ-OE1 2.89Å; K1611-E1615 WeakPolarHBondContact O-CG 3.45Å; K1611-E1615 PolarHBondContact O-N 2.89Å; K1611-E1645 HydrophobicContact CG-CG 4.08Å
1612T89.7Confident89Confident12 Ų1248.7 Ų48.77%0.07426%0.257CS..Hα-helixtrans-60.1-37.6-178.756.80000113.3I1228 K1232 I1608 G1609 E1615 H1616I1228-T1612 HydrophobicContact CG2-CG2 4.37Å; K1232-T1612 HydrophobicContact CB-CG2 3.72Å; K1232-T1612 HydrophobicContact CD-CG2 3.92Å; K1232-T1612 HydrophobicContact CG-CG2 3.85Å; I1608-T1612 HydrophobicContact CG2-CG2 4.18Å; I1608-T1612 WeakPolarHBondContact O-CG2 3.3Å; I1608-T1612 PolarHBondContact O-N 3.06Å; I1608-T1612 PolarHBondContact O-OG1 3.47Å; G1609-T1612 PolarHBondContact O-N 3.36Å; G1609-T1612 PolarHBondContact O-OG1 3.48Å; T1612-E1615 PolarHBondContact O-N 3.32Å; T1612-H1616 PolarHBondContact O-CD2 3.48Å; T1612-H1616 PolarHBondContact O-N 2.8Å
1613L91.1Very high89.2Confident112 Ų11243.2 Ų43.259%0.58623%0.231SC*.Hα-helixtrans-60.3-47173.4-72.8168.3000111.9G1609 K1611 E1615 H1616 D1617G1609-L1613 WeakPolarHBondContact O-CG 3.41Å; G1609-L1613 PolarHBondContact O-N 2.88Å; K1611-L1613 VanDerWaalsContact C-N 3.31Å; K1611-L1613 PolarHBondContact O-N 3.42Å; L1613-E1615 PolarHBondContact O-N 3.41Å; L1613-H1616 PolarHBondContact O-N 3.3Å; L1613-D1617 PolarHBondContact O-N 2.8Å
1614K89.2Confident89.5Confident80 Ų8042.6 Ų42.635%0.34823%0.23SC..Hα-helixtrans-65.6-36.9176-67.1173.8176.11780113.1I1610 K1611 H1616 D1617 A1618 E1645I1610-K1614 WeakPolarHBondContact O-CG 3.19Å; I1610-K1614 PolarHBondContact O-N 2.99Å; K1611-K1614 PolarHBondContact O-N 2.88Å; K1611-K1614 VanDerWaalsContact O-N 3.08Å; K1614-H1616 VanDerWaalsContact C-N 3.34Å; K1614-D1617 PolarHBondContact O-N 2.78Å; K1614-A1618 WeakPolarHBondContact O-CB 3.44Å; K1614-A1618 PolarHBondContact O-N 3.32Å; K1614-E1645 HydrophobicContact CB-CB 4.03Å; K1614-E1645 HydrophobicContact CB-CG 4.07Å; K1614-E1645 HydrophobicContact CD-CB 4.08Å; K1614-E1645 VanDerWaalsContact CD-CD 3.46Å; K1614-E1645 HydrophobicContact CD-CG 3.92Å; K1614-E1645 WeakPolarHBondContact CD-OE2 3.04Å; K1614-E1645 WeakPolarHBondContact CE-OE2 3.34Å; K1614-E1645 IonicContact NZ-OE1 3.73Å; K1614-E1645 IonicContact NZ-OE2 2.62Å; K1614-E1645 PolarHBondContact NZ-OE2 3.49Å
1615E90Very high89.7Confident3 Ų344.2 Ų44.21%0.01424%0.239CC..Hα-helixtrans-64.9-39.9175.3-63.8-164.5-155.500111.1K1185 I1228 K1611 T1612 L1613 A1618 V1619 G1644K1185-E1615 IonicContact NZ-OE2 3.51Å; K1185-E1615 PolarHBondContact NZ-OE2 2.9Å; I1228-E1615 HydrophobicContact CD1-CB 3.82Å; I1228-E1615 HydrophobicContact CG1-CB 4.08Å; K1611-E1615 HydrophobicContact CG-CG 4.28Å; K1611-E1615 WeakPolarHBondContact CG-OE1 3.5Å; K1611-E1615 IonicContact NZ-OE1 3.76Å; K1611-E1615 PolarHBondContact NZ-OE1 2.89Å; K1611-E1615 WeakPolarHBondContact O-CG 3.45Å; K1611-E1615 PolarHBondContact O-N 2.89Å; T1612-E1615 PolarHBondContact O-N 3.32Å; L1613-E1615 PolarHBondContact O-N 3.41Å; E1615-A1618 PolarHBondContact O-N 2.67Å; E1615-V1619 WeakPolarHBondContact O-CG2 3.35Å; E1615-V1619 PolarHBondContact O-N 3.43Å; E1615-G1644 WeakPolarHBondContact CG-O 3.4Å
1616H92Very high89.8Confident44 Ų4441.2 Ų41.220%0.20422%0.221CC..Hα-helixtrans-63-43169.9-69.3-61.5000111.5Y1225 T1612 L1613 K1614 A1618 V1619 N1620Y1225-H1616 AromaticContact CD1-ND1 3.52Å; Y1225-H1616 AromaticContact CE1-ND1 3.33Å; Y1225-H1616 VanDerWaalsContact CE1-ND1 3.33Å; Y1225-H1616 WeakPolarHBondContact CE1-ND1 3.4Å; Y1225-H1616 AromaticContact CZ-ND1 3.79Å; T1612-H1616 PolarHBondContact O-CD2 3.48Å; T1612-H1616 PolarHBondContact O-N 2.8Å; L1613-H1616 PolarHBondContact O-N 3.3Å; K1614-H1616 VanDerWaalsContact C-N 3.34Å; H1616-A1618 PolarHBondContact O-N 3.17Å; H1616-V1619 PolarHBondContact O-N 3.44Å; H1616-N1620 WeakPolarHBondContact O-CB 3.33Å; H1616-N1620 PolarHBondContact O-N 3.45Å; H1616-N1620 PolarHBondContact O-ND2 3.09Å
1617D90.7Very high90Very high96 Ų9642.3 Ų42.351%0.51322%0.219SC..Hα-helixtrans-60.9-43.6176.5-70.7-26.8000111.5L1613 K1614 N1620 N1621L1613-D1617 PolarHBondContact O-N 2.8Å; K1614-D1617 PolarHBondContact O-N 2.78Å; D1617-N1620 PolarHBondContact O-N 2.97Å; D1617-N1621 WeakPolarHBondContact O-CB 3.07Å; D1617-N1621 VanDerWaalsContact O-CG 3.25Å; D1617-N1621 PolarHBondContact O-N 2.96Å; D1617-N1621 PolarHBondContact O-ND2 2.97Å
1618A91.4Very high90.2Very high3 Ų343.2 Ų43.23%0.02522%0.22CC..Hα-helixtrans-62.1-4517600000112.2K1614 E1615 H1616 N1621 T1622 L1642 F1647K1614-A1618 WeakPolarHBondContact O-CB 3.44Å; K1614-A1618 PolarHBondContact O-N 3.32Å; E1615-A1618 PolarHBondContact O-N 2.67Å; H1616-A1618 PolarHBondContact O-N 3.17Å; A1618-N1621 PolarHBondContact O-N 3.33Å; A1618-T1622 PolarHBondContact O-N 3.17Å; A1618-T1622 PolarHBondContact O-OG1 3.28Å; A1618-L1642 HydrophobicContact CB-CD2 4.03Å; A1618-F1647 HydrophobicContact CB-CB 4.22Å
1619V92.2Very high90.1Very high0 Ų044.4 Ų44.40%023%0.225CC..Hα-helixtrans-62.8-44.6174.2169.30000111.1K1185 L1224 Y1225 I1228 E1615 H1616 N1621 T1622 L1623 L1642K1185-V1619 HydrophobicContact CD-CG2 4.19Å; L1224-V1619 HydrophobicContact CB-CG1 4.01Å; L1224-V1619 HydrophobicContact CB-CG2 4.19Å; L1224-V1619 HydrophobicContact CD1-CG1 4Å; L1224-V1619 HydrophobicContact CD1-CG2 4.31Å; Y1225-V1619 HydrophobicContact CD1-CG1 4.05Å; Y1225-V1619 HydrophobicContact CE1-CB 4.2Å; Y1225-V1619 HydrophobicContact CE1-CG1 3.7Å; I1228-V1619 HydrophobicContact CD1-CG2 3.86Å; E1615-V1619 WeakPolarHBondContact O-CG2 3.35Å; E1615-V1619 PolarHBondContact O-N 3.43Å; H1616-V1619 PolarHBondContact O-N 3.44Å; V1619-N1621 PolarHBondContact O-N 2.88Å; V1619-T1622 WeakPolarHBondContact O-CB 3.35Å; V1619-T1622 PolarHBondContact O-N 2.89Å; V1619-L1623 HydrophobicContact CG1-CD1 3.63Å; V1619-L1623 HydrophobicContact CG1-CG 4.3Å; V1619-L1623 WeakPolarHBondContact O-CD1 3.48Å; V1619-L1623 VanDerWaalsContact O-CG 3.23Å; V1619-L1623 WeakPolarHBondContact O-CG 3.42Å; V1619-L1623 PolarHBondContact O-N 3.11Å; V1619-L1642 HydrophobicContact CG2-CD1 3.98Å; V1619-L1642 HydrophobicContact CG2-CD2 4.37Å
1620N91Very high90.1Very high63 Ų6343.2 Ų43.234%0.33721%0.212SC..Hα-helixtrans-61.8-43.5176.8-78.4-64.5000112.3Y1225 H1616 D1617 T1622 L1623 E1624Y1225-N1620 PolarHBondContact OH-ND2 3.29Å; Y1225-N1620 PolarHBondContact OH-OD1 2.83Å; H1616-N1620 WeakPolarHBondContact O-CB 3.33Å; H1616-N1620 PolarHBondContact O-N 3.45Å; H1616-N1620 PolarHBondContact O-ND2 3.09Å; D1617-N1620 PolarHBondContact O-N 2.97Å; N1620-T1622 VanDerWaalsContact C-N 3.31Å; N1620-T1622 PolarHBondContact O-N 3.42Å; N1620-L1623 PolarHBondContact O-N 3.44Å; N1620-E1624 PolarHBondContact O-N 3.12Å
1621N89.7Confident90.2Very high84 Ų8443.5 Ų43.545%0.44921%0.211SC..Hα-helixtrans-60.9-39.9174.8-72.4-45.6000111.9D1617 A1618 V1619 E1624 V1625 F1647D1617-N1621 WeakPolarHBondContact O-CB 3.07Å; D1617-N1621 VanDerWaalsContact O-CG 3.25Å; D1617-N1621 PolarHBondContact O-N 2.96Å; D1617-N1621 PolarHBondContact O-ND2 2.97Å; A1618-N1621 PolarHBondContact O-N 3.33Å; V1619-N1621 PolarHBondContact O-N 2.88Å; N1621-E1624 PolarHBondContact O-N 2.66Å; N1621-V1625 PolarHBondContact O-N 2.98Å; N1621-F1647 HydrophobicContact CB-CD1 3.88Å
1622T90.5Very high90Very high0 Ų046.7 Ų46.70%023%0.225CC..Hα-helixtrans-60.7-47.3174.2-49.90000110.9L1189 A1618 V1619 N1620 V1625 I1626 M1640 L1642 F1647L1189-T1622 HydrophobicContact CD1-CG2 3.78Å; L1189-T1622 HydrophobicContact CD2-CG2 4.04Å; A1618-T1622 PolarHBondContact O-N 3.17Å; A1618-T1622 PolarHBondContact O-OG1 3.28Å; V1619-T1622 WeakPolarHBondContact O-CB 3.35Å; V1619-T1622 PolarHBondContact O-N 2.89Å; N1620-T1622 VanDerWaalsContact C-N 3.31Å; N1620-T1622 PolarHBondContact O-N 3.42Å; T1622-V1625 PolarHBondContact O-N 3.18Å; T1622-I1626 HydrophobicContact CG2-CD1 4.16Å; T1622-I1626 WeakPolarHBondContact O-CG1 3.47Å; T1622-I1626 PolarHBondContact O-N 2.88Å; T1622-M1640 HydrophobicContact CG2-CE 4.1Å; T1622-L1642 HydrophobicContact CG2-CD1 4.24Å; T1622-L1642 WeakPolarHBondContact OG1-CD1 3.14Å; T1622-F1647 HydrophobicContact CG2-CD2 4.02Å; T1622-F1647 HydrophobicContact CG2-CE2 3.89Å; T1622-F1647 HydrophobicContact CG2-CZ 4.44Å; T1622-F1647 WeakPolarHBondContact OG1-CD2 3.09Å; T1622-F1647 VanDerWaalsContact OG1-CG 3.24Å; T1622-F1647 WeakPolarHBondContact OG1-CG 3.19Å
1623L90Very high89.9Confident4 Ų450.3 Ų50.32%0.02124%0.241CC..Hα-helixtrans-69.6-33.2-179.2-65.9163.2000112.8T1217 L1220 R1221 V1619 N1620 V1625 I1626 R1627T1217-L1623 HydrophobicContact CG2-CD2 3.68Å; T1217-L1623 WeakPolarHBondContact O-CD2 3.47Å; L1220-L1623 HydrophobicContact CD2-CD2 4.26Å; R1221-L1623 HydrophobicContact CB-CD1 3.5Å; R1221-L1623 VanDerWaalsContact CB-CD1 3.5Å; R1221-L1623 HydrophobicContact CB-CD2 4.18Å; R1221-L1623 HydrophobicContact CG-CD1 3.58Å; V1619-L1623 HydrophobicContact CG1-CD1 3.63Å; V1619-L1623 HydrophobicContact CG1-CG 4.3Å; V1619-L1623 WeakPolarHBondContact O-CD1 3.48Å; V1619-L1623 VanDerWaalsContact O-CG 3.23Å; V1619-L1623 WeakPolarHBondContact O-CG 3.42Å; V1619-L1623 PolarHBondContact O-N 3.11Å; N1620-L1623 PolarHBondContact O-N 3.44Å; L1623-V1625 VanDerWaalsContact C-N 3.33Å; L1623-I1626 PolarHBondContact O-N 2.91Å; L1623-R1627 WeakPolarHBondContact O-CB 3.47Å; L1623-R1627 VanDerWaalsContact O-CG 3.29Å; L1623-R1627 WeakPolarHBondContact O-CG 3.25Å; L1623-R1627 PolarHBondContact O-N 2.67Å
1624E89.1Confident89.6Confident85 Ų8550 Ų5040%0.39724%0.237SC..Hα-helixtrans-61-41.8170.6-78.5-158.1155.300111.5N1620 N1621 Y1628 R1669N1620-E1624 PolarHBondContact O-N 3.12Å; N1621-E1624 PolarHBondContact O-N 2.66Å; E1624-Y1628 VanDerWaalsContact O-CB 3.23Å; E1624-Y1628 WeakPolarHBondContact O-CB 3.35Å; E1624-Y1628 PolarHBondContact O-N 3.03Å; E1624-R1669 IonicContact OE2-CZ 2.86Å; E1624-R1669 IonicContact OE2-NH1 3.11Å; E1624-R1669 PolarHBondContact OE2-NH1 3.28Å; E1624-R1669 IonicContact OE2-NH2 3.41Å; E1624-R1669 PolarHBondContact OE2-NH2 2.95Å
1625V89.4Confident89.5Confident35 Ų3551 Ų5121%0.21224%0.241CC..Hα-helixtrans-65.6-46.3174.7174.30000110.6N1621 T1622 L1623 R1627 Y1628 M1629 M1640 F1647 I1649N1621-V1625 PolarHBondContact O-N 2.98Å; T1622-V1625 PolarHBondContact O-N 3.18Å; L1623-V1625 VanDerWaalsContact C-N 3.33Å; V1625-R1627 PolarHBondContact O-N 3.03Å; V1625-Y1628 PolarHBondContact O-N 3.08Å; V1625-M1629 HydrophobicContact CG1-CG 4.28Å; V1625-M1629 VanDerWaalsContact O-CG 3.32Å; V1625-M1629 WeakPolarHBondContact O-CG 3.47Å; V1625-M1629 PolarHBondContact O-N 2.86Å; V1625-M1640 HydrophobicContact CB-CE 4.07Å; V1625-M1640 HydrophobicContact CG1-CE 3.72Å; V1625-F1647 HydrophobicContact CB-CZ 4.42Å; V1625-F1647 HydrophobicContact CG2-CE1 3.87Å; V1625-F1647 HydrophobicContact CG2-CZ 4.18Å; V1625-I1649 HydrophobicContact CG1-CD1 4.26Å
1626I90.9Very high89.3Confident0 Ų051.1 Ų51.10%024%0.241CC..Hα-helixtrans-59-50.3178.9-66.8167.3000111L1189 F1192 T1217 L1220 T1622 L1623 Y1628 M1629 I1630 L1636 M1640L1189-I1626 HydrophobicContact CD1-CD1 4.16Å; F1192-I1626 HydrophobicContact CD1-CD1 4.27Å; F1192-I1626 HydrophobicContact CE1-CD1 4.03Å; F1192-I1626 HydrophobicContact CE1-CG1 4.48Å; F1192-I1626 HydrophobicContact CE1-CG2 3.74Å; F1192-I1626 HydrophobicContact CZ-CG2 4.06Å; T1217-I1626 HydrophobicContact CG2-CB 4.19Å; T1217-I1626 HydrophobicContact CG2-CG2 3.64Å; T1217-I1626 WeakPolarHBondContact OG1-CG2 3.47Å; L1220-I1626 HydrophobicContact CD2-CD1 3.69Å; T1622-I1626 HydrophobicContact CG2-CD1 4.16Å; T1622-I1626 WeakPolarHBondContact O-CG1 3.47Å; T1622-I1626 PolarHBondContact O-N 2.88Å; L1623-I1626 PolarHBondContact O-N 2.91Å; I1626-Y1628 VanDerWaalsContact C-N 3.31Å; I1626-Y1628 PolarHBondContact O-N 2.75Å; I1626-M1629 PolarHBondContact O-N 3.48Å; I1626-I1630 HydrophobicContact CG2-CD1 3.9Å; I1626-I1630 WeakPolarHBondContact O-CG1 3.4Å; I1626-I1630 PolarHBondContact O-N 3.12Å; I1626-L1636 HydrophobicContact CB-CD2 4.35Å; I1626-L1636 HydrophobicContact CG1-CD1 4.22Å; I1626-L1636 HydrophobicContact CG1-CD2 4Å; I1626-L1636 HydrophobicContact CG2-CD1 4.43Å; I1626-L1636 HydrophobicContact CG2-CD2 4.46Å; I1626-M1640 HydrophobicContact CG1-CE 4.16Å
1627R92.1Very high88.7Confident98 Ų9851 Ų5137%0.3724%0.244SC..Hα-helixtrans-61.4-36.8177.1-71.7170.6169.6179.5-6.9112.4T1217 D1218 L1623 V1625 E1631T1217-R1627 HydrophobicContact CG2-CG 4Å; D1218-R1627 IonicContact OD1-CZ 2.66Å; D1218-R1627 IonicContact OD1-NH2 3.29Å; D1218-R1627 PolarHBondContact OD1-NH2 3.48Å; L1623-R1627 WeakPolarHBondContact O-CB 3.47Å; L1623-R1627 VanDerWaalsContact O-CG 3.29Å; L1623-R1627 WeakPolarHBondContact O-CG 3.25Å; L1623-R1627 PolarHBondContact O-N 2.67Å; V1625-R1627 PolarHBondContact O-N 3.03Å; R1627-E1631 PolarHBondContact O-N 3.01Å
1628Y89.8Confident87.8Confident46 Ų4654.3 Ų54.318%0.1826%0.257CS..Hα-helixtrans-64.9-43.5174.5179.6-86.3000112.2E1624 V1625 I1626 E1631 K1632 M1665E1624-Y1628 VanDerWaalsContact O-CB 3.23Å; E1624-Y1628 WeakPolarHBondContact O-CB 3.35Å; E1624-Y1628 PolarHBondContact O-N 3.03Å; V1625-Y1628 PolarHBondContact O-N 3.08Å; I1626-Y1628 VanDerWaalsContact C-N 3.31Å; I1626-Y1628 PolarHBondContact O-N 2.75Å; Y1628-E1631 PolarHBondContact O-N 2.74Å; Y1628-K1632 HydrophobicContact CD1-CG 4.13Å; Y1628-K1632 HydrophobicContact CE1-CG 3.59Å; Y1628-K1632 HydrophobicContact CE2-CG 4.49Å; Y1628-K1632 WeakPolarHBondContact O-CG 3.3Å; Y1628-K1632 PolarHBondContact O-N 3Å; Y1628-K1632 WeakPolarHBondContact OH-CE 3.27Å; Y1628-K1632 PolarHBondContact OH-NZ 2.8Å; Y1628-M1665 HydrophobicContact CD1-CE 4.46Å; Y1628-M1665 HydrophobicContact CE1-CE 3.69Å; Y1628-M1665 HydrophobicContact CE2-CE 3.89Å; Y1628-M1665 HydrophobicContact CE2-SD 4.48Å; Y1628-M1665 VanDerWaalsContact OH-CE 3.25Å; Y1628-M1665 WeakPolarHBondContact OH-CE 3.06Å; Y1628-M1665 PolarHBondContact OH-SD 3.22Å
1629M87Confident87.1Confident30 Ų3057.8 Ų57.815%0.14827%0.272CS..Hα-helixtrans-70.6-33.4178.9-62.2-58.1-80.800112.1V1625 I1626 K1632 E1633 Q1634 K1635 L1636V1625-M1629 HydrophobicContact CG1-CG 4.28Å; V1625-M1629 VanDerWaalsContact O-CG 3.32Å; V1625-M1629 WeakPolarHBondContact O-CG 3.47Å; V1625-M1629 PolarHBondContact O-N 2.86Å; I1626-M1629 PolarHBondContact O-N 3.48Å; M1629-K1632 CarbonylContact O-C 3.57Å; M1629-K1632 PolarHBondContact O-N 2.98Å; M1629-E1633 PolarHBondContact O-N 3.43Å; M1629-Q1634 HydrophobicContact CE-CB 3.82Å; M1629-Q1634 PolarHBondContact O-N 2.73Å; M1629-Q1634 VanDerWaalsContact O-N 3.07Å; M1629-K1635 WeakPolarHBondContact CE-O 3.35Å; M1629-L1636 HydrophobicContact CB-CD2 3.77Å; M1629-L1636 HydrophobicContact CG-CD2 4.04Å
1630I89.9Confident86.8Confident4 Ų457.9 Ų57.92%0.02127%0.272CS..Hα-helixtrans-59-50.6166.4-69.9165.3000109.9F1196 K1210 L1213 H1214 T1217 I1626 K1632 E1633F1196-I1630 HydrophobicContact CE2-CD1 4.02Å; F1196-I1630 HydrophobicContact CE2-CG1 3.52Å; F1196-I1630 HydrophobicContact CZ-CG1 3.72Å; K1210-I1630 WeakPolarHBondContact CE-O 3.49Å; K1210-I1630 HydrophobicContact CG-CG2 3.72Å; L1213-I1630 HydrophobicContact CB-CD1 4.01Å; L1213-I1630 HydrophobicContact CB-CG1 4.2Å; L1213-I1630 HydrophobicContact CB-CG2 4.36Å; H1214-I1630 WeakPolarHBondContact NE2-CG2 3.26Å; T1217-I1630 VanDerWaalsContact OG1-CD1 3.26Å; T1217-I1630 WeakPolarHBondContact OG1-CD1 3.4Å; I1626-I1630 HydrophobicContact CG2-CD1 3.9Å; I1626-I1630 WeakPolarHBondContact O-CG1 3.4Å; I1626-I1630 PolarHBondContact O-N 3.12Å; I1630-K1632 PolarHBondContact O-N 3.47Å; I1630-E1633 PolarHBondContact O-N 3.12Å
1631E90.6Very high86.6Confident103 Ų10356.9 Ų56.948%0.48127%0.266SS..Hα-helixtrans-63.8-28.7179.4-78.2-49.1133.900113.9K1210 H1214 R1627 Y1628K1210-E1631 WeakPolarHBondContact CE-OE2 3.45Å; K1210-E1631 PolarHBondContact NZ-O 3.33Å; K1210-E1631 IonicContact NZ-OE1 3.15Å; K1210-E1631 IonicContact NZ-OE2 3.65Å; K1210-E1631 PolarHBondContact NZ-OE2 2.87Å; H1214-E1631 IonicContact CD2-OE1 3.62Å; H1214-E1631 IonicContact CE1-OE1 3.6Å; H1214-E1631 IonicContact NE2-OE1 2.96Å; H1214-E1631 PolarHBondContact NE2-OE1 2.71Å; R1627-E1631 PolarHBondContact O-N 3.01Å; Y1628-E1631 PolarHBondContact O-N 2.74Å
1632K84.2Confident86.4Confident79 Ų7953 Ų5334%0.34325%0.246SC..THydrogen-bonded Turntrans-84.5-1.7171.8-68.7-66.8173104.80115.1Y1628 M1629 I1630 Q1634Y1628-K1632 HydrophobicContact CD1-CG 4.13Å; Y1628-K1632 HydrophobicContact CE1-CG 3.59Å; Y1628-K1632 HydrophobicContact CE2-CG 4.49Å; Y1628-K1632 WeakPolarHBondContact O-CG 3.3Å; Y1628-K1632 PolarHBondContact O-N 3Å; Y1628-K1632 WeakPolarHBondContact OH-CE 3.27Å; Y1628-K1632 PolarHBondContact OH-NZ 2.8Å; M1629-K1632 CarbonylContact O-C 3.57Å; M1629-K1632 PolarHBondContact O-N 2.98Å; I1630-K1632 PolarHBondContact O-N 3.47Å; K1632-Q1634 HydrophobicContact CB-CG 4.32Å; K1632-Q1634 PolarHBondContact O-N 3.46Å
1633E87.9Confident85.9Confident88 Ų8858.2 Ų58.241%0.41127%0.273SS..THydrogen-bonded Turntrans62.223.5176.1-54.8173.2-171.900113R1204 S1205 K1210 M1629 I1630R1204-E1633 HydrophobicContact CB-CB 4.16Å; R1204-E1633 WeakPolarHBondContact CD-O 3.34Å; S1205-E1633 WeakPolarHBondContact CA-OE2 3.28Å; S1205-E1633 VanDerWaalsContact CB-OE2 3.28Å; S1205-E1633 WeakPolarHBondContact CB-OE2 3.2Å; K1210-E1633 IonicContact NZ-OE1 3.17Å; K1210-E1633 PolarHBondContact NZ-OE1 2.99Å; M1629-E1633 PolarHBondContact O-N 3.43Å; I1630-E1633 PolarHBondContact O-N 3.12Å
1634Q84.4Confident85.4Confident106 Ų10658.5 Ų58.550%0.49528%0.277SS..PPolyproline II helixtrans-97.6170.7-175.9-74.9-178.9-6.500112.7F1196 R1204 M1629 K1632F1196-Q1634 WeakPolarHBondContact CE1-O 3.24Å; R1204-Q1634 WeakPolarHBondContact CD-O 3.49Å; R1204-Q1634 PolarHBondContact NE-O 3.22Å; M1629-Q1634 HydrophobicContact CE-CB 3.82Å; M1629-Q1634 PolarHBondContact O-N 2.73Å; M1629-Q1634 VanDerWaalsContact O-N 3.07Å; K1632-Q1634 HydrophobicContact CB-CG 4.32Å; K1632-Q1634 PolarHBondContact O-N 3.46Å
1635K85.9Confident85.1Confident99 Ų9956.2 Ų56.243%0.4327%0.266SS..PPolyproline II helixtrans-78.1156.2167.7-72-158.7179.3-155.80110.9N1197 N1201 M1629N1197-K1635 HydrophobicContact CB-CD 4.37Å; N1197-K1635 PolarHBondContact O-NZ 2.62Å; N1197-K1635 WeakPolarHBondContact OD1-CB 3.22Å; N1201-K1635 VanDerWaalsContact OD1-CE 3.32Å; N1201-K1635 WeakPolarHBondContact OD1-CE 3.24Å; M1629-K1635 WeakPolarHBondContact CE-O 3.35Å
1636L85.9Confident84.7Confident6 Ų660.8 Ų60.83%0.03129%0.286CS..PPolyproline II helixtrans-80.9148.8172-66.9171.5000110.6F1192 V1193 F1196 N1197 I1626 M1629 M1640F1192-L1636 HydrophobicContact CD1-CD1 4.14Å; F1192-L1636 HydrophobicContact CE1-CD1 3.84Å; V1193-L1636 HydrophobicContact CG1-CB 4.26Å; V1193-L1636 HydrophobicContact CG2-CB 4.41Å; V1193-L1636 HydrophobicContact CG2-CD1 4.06Å; F1196-L1636 HydrophobicContact CB-CD1 3.91Å; F1196-L1636 HydrophobicContact CD1-CB 4.29Å; F1196-L1636 HydrophobicContact CD1-CD1 3.69Å; F1196-L1636 HydrophobicContact CD1-CG 3.61Å; F1196-L1636 HydrophobicContact CD2-CD1 3.99Å; F1196-L1636 HydrophobicContact CE1-CD1 4.19Å; F1196-L1636 HydrophobicContact CE1-CG 3.76Å; F1196-L1636 HydrophobicContact CE2-CD1 4.46Å; F1196-L1636 HydrophobicContact CG-CD1 3.59Å; F1196-L1636 HydrophobicContact CG-CG 4.06Å; F1196-L1636 HydrophobicContact CZ-CG 4.33Å; N1197-L1636 PolarHBondContact ND2-O 3.26Å; N1197-L1636 PolarHBondContact OD1-N 3.11Å; I1626-L1636 HydrophobicContact CB-CD2 4.35Å; I1626-L1636 HydrophobicContact CG1-CD1 4.22Å; I1626-L1636 HydrophobicContact CG1-CD2 4Å; I1626-L1636 HydrophobicContact CG2-CD1 4.43Å; I1626-L1636 HydrophobicContact CG2-CD2 4.46Å; M1629-L1636 HydrophobicContact CB-CD2 3.77Å; M1629-L1636 HydrophobicContact CG-CD2 4.04Å; L1636-M1640 HydrophobicContact CB-SD 4.3Å; L1636-M1640 HydrophobicContact CD2-SD 4.23Å
1637P81.1Confident84.6Confident41 Ų4162.8 Ų62.827%0.26629%0.294SS..PPolyproline II helixtrans-56.9140.7168.9-21.632.9000111.3V1193 K1639 M1640 I1649V1193-P1637 WeakPolarHBondContact CG1-O 3.26Å; P1637-K1639 VanDerWaalsContact C-N 3.29Å; P1637-K1639 PolarHBondContact O-N 3.47Å; P1637-M1640 HydrophobicContact CB-CG 4.14Å; P1637-M1640 HydrophobicContact CG-CG 4.37Å; P1637-I1649 HydrophobicContact CB-CG2 3.8Å; P1637-I1649 HydrophobicContact CG-CD1 4.41Å; P1637-I1649 HydrophobicContact CG-CG2 4.06Å
1638E70Confident84.4Confident167 Ų16762.9 Ų62.978%0.7830%0.296SS*.SBendtrans-72.7-22-176-62.7-169.3147.600113.4
1639K77.4Confident84Confident76 Ų7664 Ų6433%0.3330%0.304SS..  trans-11979.8174.9-71.2175.6162.1179.10111.9P1637 D1650 S1652 D1653P1637-K1639 VanDerWaalsContact C-N 3.29Å; P1637-K1639 PolarHBondContact O-N 3.47Å; K1639-D1650 HydrophobicContact CB-CB 4.03Å; K1639-D1650 HydrophobicContact CD-CB 4.23Å; K1639-D1650 WeakPolarHBondContact CD-OD2 3.39Å; K1639-D1650 IonicContact NZ-OD2 2.7Å; K1639-D1650 PolarHBondContact NZ-OD2 3.08Å; K1639-D1650 PolarHBondContact O-N 3.28Å; K1639-D1650 VanDerWaalsContact O-N 3.08Å; K1639-S1652 PolarHBondContact NZ-OG 3.36Å; K1639-D1653 WeakPolarHBondContact CE-OD2 3.49Å; K1639-D1653 IonicContact NZ-OD2 3.83Å; K1639-D1653 PolarHBondContact NZ-OD2 3.37Å
1640M85.4Confident83.1Confident1 Ų165.3 Ų65.31%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-93.3120.2163.8-64.7-176.47500108.1Q1186 L1189 V1193 T1622 V1625 I1626 L1636 P1637 F1647Q1186-M1640 PolarHBondContact NE2-O 3.16Å; L1189-M1640 HydrophobicContact CD2-CB 4.05Å; L1189-M1640 WeakPolarHBondContact CD2-O 3.27Å; V1193-M1640 HydrophobicContact CG2-SD 4.17Å; T1622-M1640 HydrophobicContact CG2-CE 4.1Å; V1625-M1640 HydrophobicContact CB-CE 4.07Å; V1625-M1640 HydrophobicContact CG1-CE 3.72Å; I1626-M1640 HydrophobicContact CG1-CE 4.16Å; L1636-M1640 HydrophobicContact CB-SD 4.3Å; L1636-M1640 HydrophobicContact CD2-SD 4.23Å; P1637-M1640 HydrophobicContact CB-CG 4.14Å; P1637-M1640 HydrophobicContact CG-CG 4.37Å; M1640-F1647 HydrophobicContact CB-CE2 4.21Å; M1640-F1647 HydrophobicContact CE-CE2 3.8Å; M1640-F1647 HydrophobicContact CE-CZ 3.63Å
1641I86.8Confident81.9Confident43 Ų4372.8 Ų72.822%0.22135%0.346CS..EExtended strand (participates in β ladder)trans-114.7130.2-173.4-57.5-179.7000110.5D1643 F1647 Y1648 D1650I1641-D1643 HydrophobicContact CG2-CB 4.4Å; I1641-F1647 WeakPolarHBondContact O-CA 3.44Å; I1641-F1647 VanDerWaalsContact O-CD2 3.31Å; I1641-F1647 WeakPolarHBondContact O-CD2 3.33Å; I1641-Y1648 HydrophobicContact CB-CD2 4.1Å; I1641-Y1648 HydrophobicContact CB-CE2 3.82Å; I1641-Y1648 HydrophobicContact CD1-CE2 3.9Å; I1641-Y1648 HydrophobicContact CG1-CE2 4.39Å; I1641-Y1648 HydrophobicContact CG2-CE1 4.11Å; I1641-Y1648 HydrophobicContact CG2-CE2 3.88Å; I1641-Y1648 PolarHBondContact N-O 3.12Å; I1641-Y1648 PolarHBondContact O-N 2.88Å; I1641-Y1648 VanDerWaalsContact O-O 3.1Å; I1641-D1650 HydrophobicContact CD1-CB 3.87Å
1642L86.4Confident79.7Confident3 Ų371.4 Ų71.42%0.01635%0.348CS..EExtended strand (participates in β ladder)trans-127.376.2-174.7-151.1176.8000108.6L1189 L1224 A1618 V1619 T1622 G1644 Q1646 F1647L1189-L1642 HydrophobicContact CD2-CB 3.92Å; L1189-L1642 HydrophobicContact CD2-CD1 4.3Å; L1224-L1642 HydrophobicContact CD1-CD1 4.48Å; A1618-L1642 HydrophobicContact CB-CD2 4.03Å; V1619-L1642 HydrophobicContact CG2-CD1 3.98Å; V1619-L1642 HydrophobicContact CG2-CD2 4.37Å; T1622-L1642 HydrophobicContact CG2-CD1 4.24Å; T1622-L1642 WeakPolarHBondContact OG1-CD1 3.14Å; L1642-G1644 PolarHBondContact O-N 3.24Å; L1642-Q1646 CarbonylContact C-O 3.57Å; L1642-Q1646 WeakPolarHBondContact CA-O 3.25Å; L1642-F1647 HydrophobicContact CG-CB 4.49Å
1643D80Confident77.5Confident109 Ų10973.5 Ų73.558%0.58336%0.363SS*.EExtended strand (participates in β ladder)trans-86.882.8-174.8-173.314.1000110.6I1641 E1645 Q1646 Y1648I1641-D1643 HydrophobicContact CG2-CB 4.4Å; D1643-E1645 PolarHBondContact O-N 3.12Å; D1643-Q1646 PolarHBondContact N-O 3.17Å; D1643-Q1646 PolarHBondContact O-N 3.18Å; D1643-Y1648 HydrophobicContact CB-CE1 4.09Å
1644G78.5Confident75Confident10 Ų1075.1 Ų75.110%0.10338%0.379CS..THydrogen-bonded Turntrans59.2-98.3177.500000113.2E1615 L1642E1615-G1644 WeakPolarHBondContact CG-O 3.4Å; L1642-G1644 PolarHBondContact O-N 3.24Å
1645E82.7Confident72.4Confident36 Ų3677.8 Ų77.817%0.16840%0.395CS..THydrogen-bonded Turntrans-82.8-7.3-178.7-64.8-176.8-172.100114.1Y1180 K1611 K1614 D1643Y1180-E1645 PolarHBondContact OH-OE1 3.05Å; K1611-E1645 HydrophobicContact CG-CG 4.08Å; K1614-E1645 HydrophobicContact CB-CB 4.03Å; K1614-E1645 HydrophobicContact CB-CG 4.07Å; K1614-E1645 HydrophobicContact CD-CB 4.08Å; K1614-E1645 VanDerWaalsContact CD-CD 3.46Å; K1614-E1645 HydrophobicContact CD-CG 3.92Å; K1614-E1645 WeakPolarHBondContact CD-OE2 3.04Å; K1614-E1645 WeakPolarHBondContact CE-OE2 3.34Å; K1614-E1645 IonicContact NZ-OE1 3.73Å; K1614-E1645 IonicContact NZ-OE2 2.62Å; K1614-E1645 PolarHBondContact NZ-OE2 3.49Å; D1643-E1645 PolarHBondContact O-N 3.12Å
1646Q83Confident69.7Low131 Ų13178.6 Ų78.661%0.61241%0.413SS*.EExtended strand (participates in β ladder)trans-130146-174.3-59.8-167.624.300112.8L1642 D1643L1642-Q1646 CarbonylContact C-O 3.57Å; L1642-Q1646 WeakPolarHBondContact CA-O 3.25Å; D1643-Q1646 PolarHBondContact N-O 3.17Å; D1643-Q1646 PolarHBondContact O-N 3.18Å
1647F87.8Confident67.5Low42 Ų4283.6 Ų83.618%0.18445%0.446CS..EExtended strand (participates in β ladder)trans-122.9131.2172.3162.3-107.8000109.6A1618 N1621 T1622 V1625 M1640 I1641 L1642 I1649A1618-F1647 HydrophobicContact CB-CB 4.22Å; N1621-F1647 HydrophobicContact CB-CD1 3.88Å; T1622-F1647 HydrophobicContact CG2-CD2 4.02Å; T1622-F1647 HydrophobicContact CG2-CE2 3.89Å; T1622-F1647 HydrophobicContact CG2-CZ 4.44Å; T1622-F1647 WeakPolarHBondContact OG1-CD2 3.09Å; T1622-F1647 VanDerWaalsContact OG1-CG 3.24Å; T1622-F1647 WeakPolarHBondContact OG1-CG 3.19Å; V1625-F1647 HydrophobicContact CB-CZ 4.42Å; V1625-F1647 HydrophobicContact CG2-CE1 3.87Å; V1625-F1647 HydrophobicContact CG2-CZ 4.18Å; M1640-F1647 HydrophobicContact CB-CE2 4.21Å; M1640-F1647 HydrophobicContact CE-CE2 3.8Å; M1640-F1647 HydrophobicContact CE-CZ 3.63Å; I1641-F1647 WeakPolarHBondContact O-CA 3.44Å; I1641-F1647 VanDerWaalsContact O-CD2 3.31Å; I1641-F1647 WeakPolarHBondContact O-CD2 3.33Å; L1642-F1647 HydrophobicContact CG-CB 4.49Å; F1647-I1649 HydrophobicContact CE2-CG1 4.34Å; F1647-I1649 HydrophobicContact CZ-CD1 4.24Å; F1647-I1649 HydrophobicContact CZ-CG1 3.82Å
1648Y87Confident65.1Low101 Ų10189.4 Ų89.440%0.39647%0.473SS..EExtended strand (participates in β ladder)trans-148.5164.9176.353.3-86.1000111.5I1641 D1643I1641-Y1648 HydrophobicContact CB-CD2 4.1Å; I1641-Y1648 HydrophobicContact CB-CE2 3.82Å; I1641-Y1648 HydrophobicContact CD1-CE2 3.9Å; I1641-Y1648 HydrophobicContact CG1-CE2 4.39Å; I1641-Y1648 HydrophobicContact CG2-CE1 4.11Å; I1641-Y1648 HydrophobicContact CG2-CE2 3.88Å; I1641-Y1648 PolarHBondContact N-O 3.12Å; I1641-Y1648 PolarHBondContact O-N 2.88Å; I1641-Y1648 VanDerWaalsContact O-O 3.1Å; D1643-Y1648 HydrophobicContact CB-CE1 4.09Å
1649I82.8Confident63.1Low70 Ų7086.1 Ų86.136%0.35947%0.469SS..EExtended strand (participates in β ladder)trans-114.7126.8177.2-56.1171000106.6V1625 P1637 F1647V1625-I1649 HydrophobicContact CG1-CD1 4.26Å; P1637-I1649 HydrophobicContact CB-CG2 3.8Å; P1637-I1649 HydrophobicContact CG-CD1 4.41Å; P1637-I1649 HydrophobicContact CG-CG2 4.06Å; F1647-I1649 HydrophobicContact CE2-CG1 4.34Å; F1647-I1649 HydrophobicContact CZ-CD1 4.24Å; F1647-I1649 HydrophobicContact CZ-CG1 3.82Å
1650D68.5Low60.8Low56 Ų5689.7 Ų89.730%0.29949%0.491SS..  trans-93.2107.1-177.5175.714.9000110K1639 I1641 S1652K1639-D1650 HydrophobicContact CB-CB 4.03Å; K1639-D1650 HydrophobicContact CD-CB 4.23Å; K1639-D1650 WeakPolarHBondContact CD-OD2 3.39Å; K1639-D1650 IonicContact NZ-OD2 2.7Å; K1639-D1650 PolarHBondContact NZ-OD2 3.08Å; K1639-D1650 PolarHBondContact O-N 3.28Å; K1639-D1650 VanDerWaalsContact O-N 3.08Å; I1641-D1650 HydrophobicContact CD1-CB 3.87Å; D1650-S1652 PolarHBondContact O-N 3.44Å; D1650-S1652 WeakPolarHBondContact OD1-CB 3.26Å; D1650-S1652 PolarHBondContact OD1-N 2.81Å; D1650-S1652 PolarHBondContact OD1-OG 2.84Å; D1650-S1652 PolarHBondContact OD2-OG 3.23Å
1651E63.1Low57.9Low162 Ų16296.9 Ų96.976%0.75753%0.53SS*.  trans-78.90.6-175.5-60.2-170.2143.800114D1653 T1654E1651-D1653 VanDerWaalsContact C-N 3.32Å; E1651-D1653 PolarHBondContact O-N 2.92Å; E1651-T1654 PolarHBondContact O-OG1 3.09Å
1652S46.1Very low55.2Low73 Ų7399.4 Ų99.451%0.5155%0.551SS.*THydrogen-bonded Turntrans-62.6-16.6-161.652.90000118.3K1639 D1650K1639-S1652 PolarHBondContact NZ-OG 3.36Å; D1650-S1652 PolarHBondContact O-N 3.44Å; D1650-S1652 WeakPolarHBondContact OD1-CB 3.26Å; D1650-S1652 PolarHBondContact OD1-N 2.81Å; D1650-S1652 PolarHBondContact OD1-OG 2.84Å; D1650-S1652 PolarHBondContact OD2-OG 3.23Å
1653D37.9Very low52.3Low124 Ų124106.6 Ų106.666%0.66359%0.589SS**THydrogen-bonded Turntrans-103.93.2-172.5-75.1-44.3000115.7K1639 E1651 I1655K1639-D1653 WeakPolarHBondContact CE-OD2 3.49Å; K1639-D1653 IonicContact NZ-OD2 3.83Å; K1639-D1653 PolarHBondContact NZ-OD2 3.37Å; E1651-D1653 VanDerWaalsContact C-N 3.32Å; E1651-D1653 PolarHBondContact O-N 2.92Å; D1653-I1655 PolarHBondContact O-N 3.05Å
1654T33.9Very low50Low121 Ų121108 Ų10874%0.74260%0.595SS**  trans-101.444.8-167.954.40000116.4E1651E1651-T1654 PolarHBondContact O-OG1 3.09Å
1655I30.1Very low47.7Very low163 Ų163113.6 Ų113.684%0.83662%0.62SS**  trans-126.885.2179-48.6-177.8000113.9D1653D1653-I1655 PolarHBondContact O-N 3.05Å
1656S30.2Very low45Very low115 Ų115119.1 Ų119.180%0.80465%0.646SS**SBendtrans-159.4149.7135.289.40000109
1657P39.6Very low42.3Very low111 Ų111120.4 Ų120.472%0.72165%0.65SS**  -129.1164.5-113.240.2-29.4000116.3
1658I30.1Very low39.5Very low163 Ų163125 Ų12584%0.83668%0.675SS**  trans-172.8126.7136.4-96.9151.1000111
1659S27.9Very low36.7Very low99 Ų99128.4 Ų128.469%0.69269%0.688SS**  trans15.3125.9166.662.10000123.3
1660N28.7Very low34.2Very low150 Ų150132.4 Ų132.480%0.80271%0.708SS**  trans21.7113.6137.5-53.35.8000120
1661D25.9Very low32.1Very low153 Ų153134.5 Ų134.582%0.81873%0.727SS**  174.1120.4102.6-100-7.9000112.7
1662S28.2Very low30.6Very low96 Ų96131.8 Ų131.867%0.67173%0.726SS**  trans-175.5119.6166.4176.30000109L1664S1662-L1664 PolarHBondContact OG-N 2.77Å
1663L26.2Very low29.7Very low154 Ų154133.9 Ų133.981%0.80674%0.738SS**  cis68.214.3-3.8-111.9176000119.5
1664L32Very low29.1Very low138 Ų138134.1 Ų134.172%0.72374%0.744SS**  trans-131.223.8164.5-106.2179.5000115.9S1662S1662-L1664 PolarHBondContact OG-N 2.77Å
1665M30.4Very low28.8Very low127 Ų127135.8 Ų135.863%0.62675%0.746SS**  trans-115.216.5167.4-118.4-55.5-152.100114.9Y1628Y1628-M1665 HydrophobicContact CD1-CE 4.46Å; Y1628-M1665 HydrophobicContact CE1-CE 3.69Å; Y1628-M1665 HydrophobicContact CE2-CE 3.89Å; Y1628-M1665 HydrophobicContact CE2-SD 4.48Å; Y1628-M1665 VanDerWaalsContact OH-CE 3.25Å; Y1628-M1665 WeakPolarHBondContact OH-CE 3.06Å; Y1628-M1665 PolarHBondContact OH-SD 3.22Å
1666E25.7Very low28.7Very low152 Ų152135 Ų13571%0.7174%0.744SS**SBendtrans-99.570.1162-164.7-159.8-163.600110.9
1667K26.2Very low28.5Very low158 Ų158139 Ų13969%0.68775%0.747SS**SBendtrans-173.9137.4151.2-99.1135.5-155.8130.90111.7
1668L29.3Very low28Very low138 Ų138137.7 Ų137.772%0.72374%0.74SS**SBendtrans76.850.6174.4-50.3-178.5000117.7
1669R27.9Very low28.1Very low173 Ų173136.1 Ų136.165%0.65374%0.738SS**  -123.5119.7123.5-76.8-165.6-175.9-137.4-1.2109.2E1624E1624-R1669 IonicContact OE2-CZ 2.86Å; E1624-R1669 IonicContact OE2-NH1 3.11Å; E1624-R1669 PolarHBondContact OE2-NH1 3.28Å; E1624-R1669 IonicContact OE2-NH2 3.41Å; E1624-R1669 PolarHBondContact OE2-NH2 2.95Å
1670I30.2Very low28.4Very low154 Ų154140.9 Ų140.979%0.7975%0.75SS**  trans-142.2128.7170.3-59.3179000103.5
1671S25.4Very low28.6Very low100 Ų100137.6 Ų137.670%0.69974%0.739SS**SBendcis-11913724.6-56.40000115.6
1672S31.7Very low29.4Very low105 Ų105135.9 Ų135.973%0.73473%0.726SS**  trans43.386.5142.8630000119.9
1673P26Very low30.1Very low117 Ų117134.9 Ų134.976%0.7672%0.717SS**  trans-71.4159.8138.134.3-32.6000110.7
1674V25.2Very low31.2Very low130 Ų130130.3 Ų130.379%0.78869%0.691SS**  trans-70.3154.1172.5172.50000110.4N1676V1674-N1676 PolarHBondContact O-N 3.32Å
1675I28Very low32.3Very low155 Ų155126.6 Ų126.680%0.79567%0.668SS**  trans-25.3119.9169.9-62.2166.6000111.7K1677I1675-K1677 PolarHBondContact O-N 2.87Å; I1675-K1677 VanDerWaalsContact O-N 3.09Å
1676N27.2Very low33.7Very low148 Ų148122.9 Ų122.979%0.79165%0.649SS**  trans-52.1119.7172.7-78.8-8.7000109V1674 S1678V1674-N1676 PolarHBondContact O-N 3.32Å; N1676-S1678 PolarHBondContact O-N 3.46Å
1677K26.2Very low35.6Very low199 Ų199120 Ų12087%0.86564%0.638SS**  trans-56.9130.8164.7-75.4-176.4175.4-1780107.7I1675 T1679I1675-K1677 PolarHBondContact O-N 2.87Å; I1675-K1677 VanDerWaalsContact O-N 3.09Å; K1677-T1679 PolarHBondContact O-N 3.32Å
1678S29.4Very low37.7Very low83 Ų83113.3 Ų113.358%0.5861%0.61SS**  trans-37.5131163.749.70000111.5N1676 E1680N1676-S1678 PolarHBondContact O-N 3.46Å; S1678-E1680 PolarHBondContact O-N 2.82Å
1679T32.7Very low39.7Very low129 Ų129110.1 Ų110.179%0.79160%0.599SS**SBendtrans-47.4139.4145.8380000108.1K1677 S1681K1677-T1679 PolarHBondContact O-N 3.32Å; T1679-S1681 VanDerWaalsContact C-N 3.31Å; T1679-S1681 PolarHBondContact O-N 2.97Å; T1679-S1681 PolarHBondContact O-OG 3.11Å
1680E33.6Very low41.9Very low200 Ų200103.7 Ų103.794%0.93558%0.576SS**  trans-57.192.1-168.1-65.5-179.2139.700111.3S1678S1678-E1680 PolarHBondContact O-N 2.82Å
1681S34.2Very low44Very low81 Ų8196.6 Ų96.657%0.56654%0.54SS*.  trans-96.4103.1-178.950000104.4T1679T1679-S1681 VanDerWaalsContact C-N 3.31Å; T1679-S1681 PolarHBondContact O-N 2.97Å; T1679-S1681 PolarHBondContact O-OG 3.11Å
1682E40.9Very low46.5Very low117 Ų11795 Ų9555%0.54752%0.52SS..  trans-45.2118.9-176.7-63.9-174.2110.600109.1Q1684E1682-Q1684 PolarHBondContact O-N 3.26Å
1683P43Very low48.8Very low75 Ų7595.7 Ų95.749%0.48751%0.508SS..THydrogen-bonded Turntrans-7936.6-159.131.3-38.2000112.7L1727 W2057P1683-L1727 HydrophobicContact CB-CD2 4.4Å; P1683-W2057 PolarHBondContact O-NE1 2.92Å
1684Q49.7Very low51.4Low57 Ų5790.1 Ų90.127%0.26647%0.472SS..THydrogen-bonded Turntrans-117.5-26.9-158.9-56.6-155.31100113.4E1682 Y1797 P2056 W2057E1682-Q1684 PolarHBondContact O-N 3.26Å; Q1684-Y1797 PolarHBondContact OE1-OH 2.69Å; Q1684-P2056 HydrophobicContact CB-CB 3.88Å; Q1684-P2056 HydrophobicContact CG-CB 3.76Å; Q1684-P2056 HydrophobicContact CG-CG 4.39Å; Q1684-W2057 PolarHBondContact O-NE1 3.17Å
1685Y55.3Low54Low60 Ų6084.1 Ų84.124%0.23544%0.436CS..SBendtrans-142.5167.7-169-54-62.5000115.6P1793 Y1797Y1685-P1793 HydrophobicContact CD1-CB 3.33Å; Y1685-P1793 HydrophobicContact CD1-CG 3.34Å; Y1685-P1793 HydrophobicContact CD2-CB 3.51Å; Y1685-P1793 HydrophobicContact CD2-CG 4.45Å; Y1685-P1793 HydrophobicContact CE1-CB 3.27Å; Y1685-P1793 HydrophobicContact CE1-CG 3.36Å; Y1685-P1793 HydrophobicContact CE2-CB 3.44Å; Y1685-P1793 VanDerWaalsContact CE2-CB 3.44Å; Y1685-P1793 HydrophobicContact CE2-CG 4.45Å; Y1685-P1793 HydrophobicContact CG-CB 3.48Å; Y1685-P1793 VanDerWaalsContact CG-CB 3.48Å; Y1685-P1793 HydrophobicContact CG-CG 3.95Å; Y1685-Y1797 HydrophobicContact CD2-CE2 4.04Å; Y1685-Y1797 AromaticContact CE2-CE2 3.67Å; Y1685-Y1797 HydrophobicContact CE2-CE2 3.67Å
1686F60.9Low56.5Low50 Ų5081.3 Ų81.322%0.21942%0.422CS..  trans-66135.8179.5-71.7-83000112.1L1691 I1719 A1790F1686-L1691 HydrophobicContact CB-CD1 4.22Å; F1686-L1691 HydrophobicContact CB-CD2 3.7Å; F1686-L1691 HydrophobicContact CB-CG 3.86Å; F1686-L1691 HydrophobicContact CG-CD2 4.11Å; F1686-I1719 HydrophobicContact CE1-CG2 4.28Å; F1686-A1790 HydrophobicContact CD2-CB 3.97Å; F1686-A1790 HydrophobicContact CE2-CB 4.41Å
1687N65.5Low59Low92 Ų9277.7 Ų77.749%0.49240%0.399SS..  trans-72.6141.3174.9-168.5-23.1000110S1689 Q1690 L1691N1687-S1689 VanDerWaalsContact CG-OG 3.29Å; N1687-S1689 PolarHBondContact O-N 3.23Å; N1687-S1689 VanDerWaalsContact O-N 3.12Å; N1687-S1689 PolarHBondContact OD1-N 3.14Å; N1687-S1689 PolarHBondContact OD1-OG 2.89Å; N1687-Q1690 HydrophobicContact CB-CG 4.39Å; N1687-Q1690 WeakPolarHBondContact O-CA 3.4Å; N1687-Q1690 WeakPolarHBondContact O-CB 3.48Å; N1687-Q1690 PolarHBondContact O-N 3.19Å; N1687-L1691 PolarHBondContact O-N 2.86Å
1688L69Low61.5Low16 Ų1668.2 Ų68.28%0.08436%0.358CS..Hα-helixtrans-60-25.5-177.7-161.2147.3000112.4K1692 E1854 L1855L1688-K1692 HydrophobicContact CD2-CD 3.72Å; L1688-K1692 HydrophobicContact CD2-CG 4.27Å; L1688-K1692 WeakPolarHBondContact O-CB 3.32Å; L1688-K1692 WeakPolarHBondContact O-CG 3.15Å; L1688-K1692 PolarHBondContact O-N 2.87Å; L1688-E1854 HydrophobicContact CD1-CB 4.09Å; L1688-E1854 HydrophobicContact CD2-CB 4.17Å; L1688-L1855 HydrophobicContact CD1-CB 4.14Å
1689S71.8Confident63.9Low72 Ų7265.2 Ų65.250%0.50334%0.337SS..Hα-helixtrans-65.4-42.4167.957.80000113.6N1687 K1692 Y1693N1687-S1689 VanDerWaalsContact CG-OG 3.29Å; N1687-S1689 PolarHBondContact O-N 3.23Å; N1687-S1689 VanDerWaalsContact O-N 3.12Å; N1687-S1689 PolarHBondContact OD1-N 3.14Å; N1687-S1689 PolarHBondContact OD1-OG 2.89Å; S1689-K1692 PolarHBondContact O-N 2.89Å; S1689-Y1693 PolarHBondContact O-N 3.31Å
1690Q74.2Confident65.9Low37 Ų3764.2 Ų64.217%0.17333%0.331CS..Hα-helixtrans-70-35.2175.3-65.9175-36.200111.4N1687 Y1693 L1694 R1723N1687-Q1690 HydrophobicContact CB-CG 4.39Å; N1687-Q1690 WeakPolarHBondContact O-CA 3.4Å; N1687-Q1690 WeakPolarHBondContact O-CB 3.48Å; N1687-Q1690 PolarHBondContact O-N 3.19Å; Q1690-Y1693 WeakPolarHBondContact O-CB 3.33Å; Q1690-Y1693 PolarHBondContact O-N 3.19Å; Q1690-L1694 PolarHBondContact O-N 3.45Å; Q1690-R1723 VanDerWaalsContact NE2-NE 3.15Å; Q1690-R1723 VanDerWaalsContact OE1-CZ 3.3Å
1691L74.9Confident67.9Low6 Ų659.7 Ų59.73%0.03131%0.313CS..Hα-helixtrans-67.2-42.5173.1-63.7176.5000111.7F1686 N1687 Y1693 L1694 C1695 L1787 A1790 F1858F1686-L1691 HydrophobicContact CB-CD1 4.22Å; F1686-L1691 HydrophobicContact CB-CD2 3.7Å; F1686-L1691 HydrophobicContact CB-CG 3.86Å; F1686-L1691 HydrophobicContact CG-CD2 4.11Å; N1687-L1691 PolarHBondContact O-N 2.86Å; L1691-Y1693 VanDerWaalsContact C-N 3.3Å; L1691-Y1693 PolarHBondContact O-N 2.63Å; L1691-L1694 HydrophobicContact CD2-CD1 4.49Å; L1691-L1694 PolarHBondContact O-N 3.4Å; L1691-C1695 VanDerWaalsContact O-CB 3.29Å; L1691-C1695 WeakPolarHBondContact O-CB 3.5Å; L1691-C1695 PolarHBondContact O-N 3.4Å; L1691-L1787 HydrophobicContact CD2-CD2 4.2Å; L1691-A1790 HydrophobicContact CD2-CB 3.72Å; L1691-F1858 HydrophobicContact CB-CE1 3.88Å; L1691-F1858 HydrophobicContact CB-CE2 4.25Å; L1691-F1858 HydrophobicContact CB-CZ 3.63Å; L1691-F1858 HydrophobicContact CD1-CE1 4.47Å; L1691-F1858 WeakPolarHBondContact O-CE2 3.42Å; L1691-F1858 WeakPolarHBondContact O-CZ 3.35Å
1692K77.1Confident69.6Low65 Ų6556.6 Ų56.628%0.28329%0.291SS..Hα-helixtrans-60-36.9169.9-77.6170.9177161.70111.8L1688 S1689 N1696 E1854 F1858L1688-K1692 HydrophobicContact CD2-CD 3.72Å; L1688-K1692 HydrophobicContact CD2-CG 4.27Å; L1688-K1692 WeakPolarHBondContact O-CB 3.32Å; L1688-K1692 WeakPolarHBondContact O-CG 3.15Å; L1688-K1692 PolarHBondContact O-N 2.87Å; S1689-K1692 PolarHBondContact O-N 2.89Å; K1692-N1696 WeakPolarHBondContact O-CB 3.47Å; K1692-N1696 PolarHBondContact O-N 2.92Å; K1692-N1696 VanDerWaalsContact O-N 3.14Å; K1692-N1696 PolarHBondContact O-ND2 3.46Å; K1692-E1854 IonicContact NZ-OE2 2.73Å; K1692-E1854 PolarHBondContact NZ-OE2 2.83Å; K1692-F1858 HydrophobicContact CG-CD2 3.65Å; K1692-F1858 HydrophobicContact CG-CE2 4.02Å
1693Y80.3Confident70.8Confident120 Ų12057.1 Ų57.147%0.47129%0.294SS..Hα-helixtrans-66.8-47.8173.9179.1-96.4000112.9S1689 Q1690 L1691 N1696 K1697 I1719S1689-Y1693 PolarHBondContact O-N 3.31Å; Q1690-Y1693 WeakPolarHBondContact O-CB 3.33Å; Q1690-Y1693 PolarHBondContact O-N 3.19Å; L1691-Y1693 VanDerWaalsContact C-N 3.3Å; L1691-Y1693 PolarHBondContact O-N 2.63Å; Y1693-N1696 PolarHBondContact O-N 3.24Å; Y1693-K1697 HydrophobicContact CD1-CD 4.37Å; Y1693-K1697 HydrophobicContact CE1-CD 3.72Å; Y1693-K1697 PolarHBondContact O-N 3.2Å; Y1693-K1697 VanDerWaalsContact OH-CE 3.26Å; Y1693-K1697 WeakPolarHBondContact OH-CE 3.43Å; Y1693-K1697 PolarHBondContact OH-NZ 2.77Å; Y1693-I1719 HydrophobicContact CD1-CD1 4.1Å; Y1693-I1719 HydrophobicContact CE1-CD1 4.05Å
1694L79.5Confident71.8Confident1 Ų156.5 Ų56.51%0.00529%0.288CS..Hα-helixtrans-60.2-48175.7-80.9168.2000111.8Q1690 L1691 N1696 K1697 F1698 I1715 L1716 I1719 L1787Q1690-L1694 PolarHBondContact O-N 3.45Å; L1691-L1694 HydrophobicContact CD2-CD1 4.49Å; L1691-L1694 PolarHBondContact O-N 3.4Å; L1694-N1696 VanDerWaalsContact C-N 3.32Å; L1694-N1696 PolarHBondContact O-N 2.97Å; L1694-K1697 PolarHBondContact O-N 2.91Å; L1694-K1697 VanDerWaalsContact O-N 3.13Å; L1694-F1698 HydrophobicContact CB-CD2 4.28Å; L1694-F1698 HydrophobicContact CB-CE2 4.05Å; L1694-F1698 HydrophobicContact CD2-CE2 3.9Å; L1694-F1698 HydrophobicContact CD2-CZ 4.08Å; L1694-F1698 WeakPolarHBondContact O-CD2 3.35Å; L1694-F1698 WeakPolarHBondContact O-CG 3.42Å; L1694-F1698 PolarHBondContact O-N 3.38Å; L1694-I1715 HydrophobicContact CD2-CG2 3.82Å; L1694-L1716 HydrophobicContact CD2-CD1 4.14Å; L1694-I1719 HydrophobicContact CD1-CD1 4.48Å; L1694-I1719 HydrophobicContact CD2-CD1 3.47Å; L1694-I1719 VanDerWaalsContact CD2-CD1 3.47Å; L1694-I1719 HydrophobicContact CG-CD1 3.87Å; L1694-L1787 HydrophobicContact CB-CD2 3.94Å; L1694-L1787 HydrophobicContact CD1-CD2 4.43Å
1695C80.6Confident72.7Confident4 Ų453.8 Ų53.83%0.02728%0.276CS..Hα-helixtrans-57.3-43.9177.8-168.50000111.9L1691 S1699 L1787 F1858L1691-C1695 VanDerWaalsContact O-CB 3.29Å; L1691-C1695 WeakPolarHBondContact O-CB 3.5Å; L1691-C1695 PolarHBondContact O-N 3.4Å; C1695-S1699 WeakPolarHBondContact O-CB 3.22Å; C1695-S1699 PolarHBondContact O-N 3.22Å; C1695-S1699 PolarHBondContact O-OG 3.42Å; C1695-L1787 HydrophobicContact CB-CD1 3.68Å; C1695-F1858 HydrophobicContact CB-CE2 3.62Å; C1695-F1858 HydrophobicContact CB-CZ 3.97Å
1696N80.4Confident73.8Confident95 Ų9552.6 Ų52.651%0.50827%0.272SS..Hα-helixtrans-62.4-46174.6-83.1-65.8000112.1K1692 Y1693 L1694 S1699 T1700K1692-N1696 WeakPolarHBondContact O-CB 3.47Å; K1692-N1696 PolarHBondContact O-N 2.92Å; K1692-N1696 VanDerWaalsContact O-N 3.14Å; K1692-N1696 PolarHBondContact O-ND2 3.46Å; Y1693-N1696 PolarHBondContact O-N 3.24Å; L1694-N1696 VanDerWaalsContact C-N 3.32Å; L1694-N1696 PolarHBondContact O-N 2.97Å; N1696-S1699 PolarHBondContact O-N 2.99Å; N1696-T1700 WeakPolarHBondContact O-CG2 3.33Å; N1696-T1700 PolarHBondContact O-N 3.43Å; N1696-T1700 PolarHBondContact O-OG1 3.26Å
1697K79.2Confident74.7Confident72 Ų7250.5 Ų50.531%0.31326%0.263SS..Hα-helixtrans-62.7-46.9178.4-89.1-171.4163178.20113.1Y1693 L1694 T1700 L1701 I1715Y1693-K1697 HydrophobicContact CD1-CD 4.37Å; Y1693-K1697 HydrophobicContact CE1-CD 3.72Å; Y1693-K1697 PolarHBondContact O-N 3.2Å; Y1693-K1697 VanDerWaalsContact OH-CE 3.26Å; Y1693-K1697 WeakPolarHBondContact OH-CE 3.43Å; Y1693-K1697 PolarHBondContact OH-NZ 2.77Å; L1694-K1697 PolarHBondContact O-N 2.91Å; L1694-K1697 VanDerWaalsContact O-N 3.13Å; K1697-T1700 WeakPolarHBondContact CA-OG1 3.44Å; K1697-T1700 PolarHBondContact O-N 3.45Å; K1697-T1700 PolarHBondContact O-OG1 3.14Å; K1697-L1701 PolarHBondContact O-N 2.83Å; K1697-I1715 HydrophobicContact CB-CG2 4.41Å; K1697-I1715 HydrophobicContact CD-CG2 4.23Å
1698F80.1Confident75.4Confident0 Ų048 Ų480%025%0.25CC..Hα-helixtrans-63.8-43.2176.4-66.4-51.3000111.4L1694 T1700 L1701 S1702 I1707 F1712 I1715 L1716 W1783 F1786 L1787L1694-F1698 HydrophobicContact CB-CD2 4.28Å; L1694-F1698 HydrophobicContact CB-CE2 4.05Å; L1694-F1698 HydrophobicContact CD2-CE2 3.9Å; L1694-F1698 HydrophobicContact CD2-CZ 4.08Å; L1694-F1698 WeakPolarHBondContact O-CD2 3.35Å; L1694-F1698 WeakPolarHBondContact O-CG 3.42Å; L1694-F1698 PolarHBondContact O-N 3.38Å; F1698-T1700 VanDerWaalsContact C-N 3.26Å; F1698-T1700 PolarHBondContact O-N 3.48Å; F1698-L1701 PolarHBondContact O-N 3.47Å; F1698-S1702 PolarHBondContact O-N 2.71Å; F1698-I1707 HydrophobicContact CD1-CD1 3.81Å; F1698-I1707 HydrophobicContact CE1-CD1 4.17Å; F1698-F1712 AromaticContact CE1-CD2 3.72Å; F1698-F1712 HydrophobicContact CE1-CD2 3.72Å; F1698-F1712 HydrophobicContact CE1-CE2 4.14Å; F1698-F1712 AromaticContact CZ-CD2 3.83Å; F1698-F1712 HydrophobicContact CZ-CD2 3.83Å; F1698-F1712 AromaticContact CZ-CE2 3.75Å; F1698-F1712 HydrophobicContact CZ-CE2 3.75Å; F1698-I1715 HydrophobicContact CD1-CD1 3.69Å; F1698-I1715 HydrophobicContact CE1-CB 4.23Å; F1698-I1715 HydrophobicContact CE1-CD1 3.68Å; F1698-I1715 HydrophobicContact CE1-CG2 3.99Å; F1698-I1715 HydrophobicContact CZ-CG2 4.22Å; F1698-L1716 HydrophobicContact CZ-CD1 3.86Å; F1698-W1783 HydrophobicContact CB-CB 4.09Å; F1698-W1783 HydrophobicContact CB-CD2 3.42Å; F1698-W1783 VanDerWaalsContact CB-CD2 3.42Å; F1698-W1783 HydrophobicContact CB-CE3 3.8Å; F1698-W1783 HydrophobicContact CB-CG 3.55Å; F1698-W1783 HydrophobicContact CB-CZ2 4.35Å; F1698-W1783 HydrophobicContact CB-CZ3 4.42Å; F1698-W1783 HydrophobicContact CD1-CB 4.06Å; F1698-W1783 HydrophobicContact CD1-CG 4.34Å; F1698-W1783 HydrophobicContact CD2-CB 3.92Å; F1698-W1783 HydrophobicContact CD2-CD2 4.35Å; F1698-W1783 HydrophobicContact CD2-CE3 4.23Å; F1698-W1783 HydrophobicContact CD2-CG 4.26Å; F1698-W1783 HydrophobicContact CE1-CB 4.45Å; F1698-W1783 HydrophobicContact CE2-CB 4.31Å; F1698-W1783 HydrophobicContact CG-CB 3.79Å; F1698-W1783 HydrophobicContact CG-CD2 4.09Å; F1698-W1783 HydrophobicContact CG-CE3 4.37Å; F1698-W1783 AromaticContact CG-CG 3.84Å; F1698-W1783 HydrophobicContact CG-CG 3.84Å; F1698-F1786 HydrophobicContact CE2-CD1 4.18Å; F1698-F1786 HydrophobicContact CE2-CE1 4.37Å; F1698-F1786 HydrophobicContact CZ-CD1 4.5Å; F1698-L1787 HydrophobicContact CD2-CD1 4.29Å; F1698-L1787 HydrophobicContact CD2-CG 4.45Å; F1698-L1787 HydrophobicContact CE2-CD2 4.34Å
1699S78.1Confident75.8Confident20 Ų2048.7 Ų48.714%0.1425%0.254CS..Hα-helixtrans-62.3-28.6175.9-61.10000113.9C1695 N1696 W1783C1695-S1699 WeakPolarHBondContact O-CB 3.22Å; C1695-S1699 PolarHBondContact O-N 3.22Å; C1695-S1699 PolarHBondContact O-OG 3.42Å; N1696-S1699 PolarHBondContact O-N 2.99Å; S1699-W1783 WeakPolarHBondContact OG-CH2 3.48Å
1700T76.3Confident75.9Confident108 Ų10852.3 Ų52.366%0.66326%0.261SS*.Hα-helixtrans-76.7-20.9174.346.10000114.1N1696 K1697 F1698N1696-T1700 WeakPolarHBondContact O-CG2 3.33Å; N1696-T1700 PolarHBondContact O-N 3.43Å; N1696-T1700 PolarHBondContact O-OG1 3.26Å; K1697-T1700 WeakPolarHBondContact CA-OG1 3.44Å; K1697-T1700 PolarHBondContact O-N 3.45Å; K1697-T1700 PolarHBondContact O-OG1 3.14Å; F1698-T1700 VanDerWaalsContact C-N 3.26Å; F1698-T1700 PolarHBondContact O-N 3.48Å
1701L75.2Confident76.1Confident105 Ų10553.4 Ų53.455%0.5527%0.268SS..Hα-helixtrans-102.3-34-178.1-72.2165.3000112.9K1697 F1698 I1715K1697-L1701 PolarHBondContact O-N 2.83Å; F1698-L1701 PolarHBondContact O-N 3.47Å; L1701-I1715 HydrophobicContact CD1-CD1 3.47Å; L1701-I1715 VanDerWaalsContact CD1-CD1 3.47Å; L1701-I1715 HydrophobicContact CD1-CG1 4.21Å
1702S69.8Low76.3Confident16 Ų1653.1 Ų53.111%0.11227%0.267CS..  trans-145.8105.6176.3178.80000112.3F1698 T1704 F1706 W1783F1698-S1702 PolarHBondContact O-N 2.71Å; S1702-T1704 PolarHBondContact O-N 3.42Å; S1702-T1704 PolarHBondContact OG-OG1 3.03Å; S1702-F1706 WeakPolarHBondContact CB-O 3.45Å; S1702-F1706 PolarHBondContact OG-N 3.39Å; S1702-F1706 PolarHBondContact OG-O 3.21Å; S1702-W1783 PolarHBondContact O-NE1 3.08Å
1703Q65.7Low76.3Confident129 Ų12952 Ų5260%0.60326%0.263SS*.THydrogen-bonded Turntrans-75.6-10.5173.1-58.5-179.322.700113
1704T64.5Low76.2Confident61 Ų6149.2 Ų49.237%0.37426%0.26SS..THydrogen-bonded Turntrans-83.7-14.5177.761.40000112.7S1702 R1784S1702-T1704 PolarHBondContact O-N 3.42Å; S1702-T1704 PolarHBondContact OG-OG1 3.03Å; T1704-R1784 PolarHBondContact O-NH1 3.39Å; T1704-R1784 PolarHBondContact O-NH2 3Å; T1704-R1784 VanDerWaalsContact O-NH2 3.1Å
1705G69.2Low76.2Confident0 Ų049.6 Ų49.60%026%0.262CS..SBendtrans94.1-15.7-174.300000114D1782 W1783G1705-D1782 WeakPolarHBondContact O-CA 3.27Å; G1705-W1783 VanDerWaalsContact C-CD1 3.46Å; G1705-W1783 PolarHBondContact O-N 2.68Å; G1705-W1783 PolarHBondContact O-NE1 3.43Å
1706F78.1Confident75.9Confident36 Ų3649.6 Ų49.616%0.15826%0.262CS..EExtended strand (participates in β ladder)trans-100.5119.9-176.3-54.8-48.1000111.1S1702 L1749 Y1780 I1781 D1782 V1979S1702-F1706 WeakPolarHBondContact CB-O 3.45Å; S1702-F1706 PolarHBondContact OG-N 3.39Å; S1702-F1706 PolarHBondContact OG-O 3.21Å; F1706-L1749 HydrophobicContact CD1-CD1 3.32Å; F1706-L1749 HydrophobicContact CE1-CD1 3.53Å; F1706-L1749 HydrophobicContact CG-CD1 4.28Å; F1706-Y1780 HydrophobicContact CB-CD1 4.43Å; F1706-I1781 WeakPolarHBondContact CA-O 3.43Å; F1706-D1782 HydrophobicContact CD1-CB 4.05Å; F1706-D1782 HydrophobicContact CE1-CB 4.02Å; F1706-D1782 WeakPolarHBondContact CE1-OD2 3.38Å; F1706-V1979 HydrophobicContact CD1-CG2 4.5Å; F1706-V1979 HydrophobicContact CG-CG2 4.46Å
1707I78.9Confident75.7Confident5 Ų548.2 Ų48.23%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-116.9145.1176.8-172.4166.4000109.9F1698 N1711 F1712 I1715 Y1780 I1781 W1783F1698-I1707 HydrophobicContact CD1-CD1 3.81Å; F1698-I1707 HydrophobicContact CE1-CD1 4.17Å; I1707-N1711 HydrophobicContact CD1-CB 3.96Å; I1707-N1711 HydrophobicContact CG1-CB 4.04Å; I1707-F1712 HydrophobicContact CG2-CB 4.07Å; I1707-F1712 HydrophobicContact CG2-CD2 3.98Å; I1707-F1712 HydrophobicContact CG2-CG 4.47Å; I1707-I1715 HydrophobicContact CD1-CD1 3.63Å; I1707-Y1780 CarbonylContact O-C 3.45Å; I1707-Y1780 WeakPolarHBondContact O-CA 3.32Å; I1707-I1781 HydrophobicContact CG2-CB 4.33Å; I1707-I1781 PolarHBondContact N-O 3.09Å; I1707-I1781 PolarHBondContact O-N 3.2Å; I1707-W1783 HydrophobicContact CG2-CB 4.08Å
1708D80Confident75.6Confident41 Ų4148.1 Ų48.122%0.21926%0.258CS..EExtended strand (participates in β ladder)trans-70.5152.8174.665.1-79.3000111.6F1710 N1711 F1712 V1778 Y1780D1708-F1710 PolarHBondContact O-N 3.31Å; D1708-F1710 WeakPolarHBondContact OD2-CB 3.33Å; D1708-F1710 PolarHBondContact OD2-N 3.18Å; D1708-N1711 PolarHBondContact O-N 3.26Å; D1708-N1711 WeakPolarHBondContact OD1-CB 3.47Å; D1708-N1711 PolarHBondContact OD1-ND2 3.49Å; D1708-N1711 PolarHBondContact OD2-N 2.94Å; D1708-N1711 PolarHBondContact OD2-ND2 3.1Å; D1708-F1712 WeakPolarHBondContact O-CB 3.5Å; D1708-F1712 PolarHBondContact O-N 3.04Å; D1708-V1778 HydrophobicContact CB-CG1 4.36Å; D1708-Y1780 HydrophobicContact CB-CE1 4.47Å
1709V77.2Confident75.1Confident29 Ų2948.7 Ų48.718%0.17626%0.261CS..Hα-helixtrans-54.9-36.4-179.4163.90000113.6Q1713 V1744 Y1779 I1781V1709-Q1713 HydrophobicContact CG1-CG 4.41Å; V1709-Q1713 WeakPolarHBondContact O-CB 3.13Å; V1709-Q1713 VanDerWaalsContact O-CG 3.31Å; V1709-Q1713 WeakPolarHBondContact O-CG 3.4Å; V1709-Q1713 PolarHBondContact O-N 3.17Å; V1709-V1744 HydrophobicContact CB-CG1 4.37Å; V1709-V1744 HydrophobicContact CG1-CB 4.48Å; V1709-V1744 HydrophobicContact CG1-CG1 3.71Å; V1709-V1744 HydrophobicContact CG1-CG2 3.93Å; V1709-V1744 HydrophobicContact CG2-CG1 3.69Å; V1709-Y1779 PolarHBondContact N-O 3.42Å; V1709-I1781 HydrophobicContact CG2-CD1 4.05Å; V1709-I1781 HydrophobicContact CG2-CG1 4.37Å
1710F75.7Confident74.7Confident149 Ų14948.5 Ų48.565%0.65426%0.258SS*.Hα-helixtrans-72.1-47.2-175179.8-96.6000111.7D1708 Q1713 S1714D1708-F1710 PolarHBondContact O-N 3.31Å; D1708-F1710 WeakPolarHBondContact OD2-CB 3.33Å; D1708-F1710 PolarHBondContact OD2-N 3.18Å; F1710-Q1713 PolarHBondContact O-N 3.16Å; F1710-S1714 WeakPolarHBondContact O-CB 3.4Å; F1710-S1714 PolarHBondContact O-N 2.97Å
1711N77.3Confident74.4Confident60 Ų6045.8 Ų45.832%0.32124%0.242SC..Hα-helixtrans-69.3-33.5175.3-69.2-44.1000112.1I1707 D1708 S1714 I1715I1707-N1711 HydrophobicContact CD1-CB 3.96Å; I1707-N1711 HydrophobicContact CG1-CB 4.04Å; D1708-N1711 PolarHBondContact O-N 3.26Å; D1708-N1711 WeakPolarHBondContact OD1-CB 3.47Å; D1708-N1711 PolarHBondContact OD1-ND2 3.49Å; D1708-N1711 PolarHBondContact OD2-N 2.94Å; D1708-N1711 PolarHBondContact OD2-ND2 3.1Å; N1711-S1714 PolarHBondContact O-N 3.4Å; N1711-S1714 PolarHBondContact O-OG 3.32Å; N1711-S1714 VanDerWaalsContact O-OG 3.13Å; N1711-I1715 WeakPolarHBondContact O-CD1 3.32Å; N1711-I1715 WeakPolarHBondContact O-CG1 3.4Å; N1711-I1715 PolarHBondContact O-N 2.78Å; N1711-I1715 VanDerWaalsContact O-N 3.13Å
1712F79.5Confident74.1Confident0 Ų045.7 Ų45.70%024%0.238CC..Hα-helixtrans-59.5-50.5170.5-177-97.8000111.6F1698 I1707 D1708 S1714 I1715 L1716 V1744 I1781 F1786F1698-F1712 AromaticContact CE1-CD2 3.72Å; F1698-F1712 HydrophobicContact CE1-CD2 3.72Å; F1698-F1712 HydrophobicContact CE1-CE2 4.14Å; F1698-F1712 AromaticContact CZ-CD2 3.83Å; F1698-F1712 HydrophobicContact CZ-CD2 3.83Å; F1698-F1712 AromaticContact CZ-CE2 3.75Å; F1698-F1712 HydrophobicContact CZ-CE2 3.75Å; I1707-F1712 HydrophobicContact CG2-CB 4.07Å; I1707-F1712 HydrophobicContact CG2-CD2 3.98Å; I1707-F1712 HydrophobicContact CG2-CG 4.47Å; D1708-F1712 WeakPolarHBondContact O-CB 3.5Å; D1708-F1712 PolarHBondContact O-N 3.04Å; F1712-S1714 PolarHBondContact O-N 2.82Å; F1712-I1715 PolarHBondContact O-N 3.46Å; F1712-L1716 HydrophobicContact CE1-CD2 3.87Å; F1712-L1716 HydrophobicContact CE2-CD1 4.14Å; F1712-L1716 HydrophobicContact CZ-CD1 4.02Å; F1712-L1716 HydrophobicContact CZ-CD2 3.87Å; F1712-L1716 PolarHBondContact O-N 2.93Å; F1712-V1744 HydrophobicContact CD1-CG2 4.07Å; F1712-V1744 HydrophobicContact CE1-CG2 4.47Å; F1712-I1781 HydrophobicContact CB-CD1 4.09Å; F1712-I1781 HydrophobicContact CD1-CD1 3.51Å; F1712-I1781 HydrophobicContact CD2-CD1 4.35Å; F1712-I1781 HydrophobicContact CD2-CG2 4.08Å; F1712-I1781 HydrophobicContact CE1-CD1 3.97Å; F1712-I1781 HydrophobicContact CE2-CG2 4.05Å; F1712-I1781 HydrophobicContact CG-CD1 3.72Å; F1712-I1781 HydrophobicContact CZ-CG2 4.43Å; F1712-F1786 HydrophobicContact CE2-CB 4.38Å; F1712-F1786 HydrophobicContact CE2-CD1 4.01Å; F1712-F1786 HydrophobicContact CE2-CD2 4.37Å; F1712-F1786 HydrophobicContact CE2-CE1 4.46Å; F1712-F1786 AromaticContact CE2-CG 3.97Å; F1712-F1786 HydrophobicContact CE2-CG 3.97Å; F1712-F1786 HydrophobicContact CZ-CD1 4.19Å; F1712-F1786 AromaticContact CZ-CD2 3.83Å; F1712-F1786 HydrophobicContact CZ-CD2 3.83Å; F1712-F1786 HydrophobicContact CZ-CE1 4.42Å; F1712-F1786 HydrophobicContact CZ-CE2 4.06Å; F1712-F1786 AromaticContact CZ-CG 3.9Å; F1712-F1786 HydrophobicContact CZ-CG 3.9Å; F1712-F1786 HydrophobicContact CZ-CZ 4.36Å
1713Q77.2Confident73.7Confident42 Ų4247.1 Ų47.120%0.19624%0.241CC..Hα-helixtrans-61.9-40.9177.7-75.9-176.6-22.800112.4V1709 F1710 I1715 L1716 K1717 L1740 V1744V1709-Q1713 HydrophobicContact CG1-CG 4.41Å; V1709-Q1713 WeakPolarHBondContact O-CB 3.13Å; V1709-Q1713 VanDerWaalsContact O-CG 3.31Å; V1709-Q1713 WeakPolarHBondContact O-CG 3.4Å; V1709-Q1713 PolarHBondContact O-N 3.17Å; F1710-Q1713 PolarHBondContact O-N 3.16Å; Q1713-I1715 VanDerWaalsContact C-N 3.33Å; Q1713-I1715 PolarHBondContact O-N 2.74Å; Q1713-L1716 PolarHBondContact O-N 3.19Å; Q1713-K1717 WeakPolarHBondContact O-CB 3.48Å; Q1713-K1717 PolarHBondContact O-N 3.32Å; Q1713-L1740 HydrophobicContact CB-CD2 4.47Å; Q1713-L1740 HydrophobicContact CG-CD2 4.32Å; Q1713-V1744 HydrophobicContact CG-CG2 3.7Å
1714S77.9Confident73.6Confident60 Ų6041.4 Ų41.442%0.4222%0.215SC..Hα-helixtrans-68.1-30.6-178.4760000113.3F1710 N1711 F1712 P1718F1710-S1714 WeakPolarHBondContact O-CB 3.4Å; F1710-S1714 PolarHBondContact O-N 2.97Å; N1711-S1714 PolarHBondContact O-N 3.4Å; N1711-S1714 PolarHBondContact O-OG 3.32Å; N1711-S1714 VanDerWaalsContact O-OG 3.13Å; F1712-S1714 PolarHBondContact O-N 2.82Å; S1714-P1718 VanDerWaalsContact O-CD 3.22Å; S1714-P1718 WeakPolarHBondContact O-CD 3.47Å
1715I79Confident73.7Confident10 Ų1042.2 Ų42.25%0.05122%0.22CC..Hα-helixtrans-75.2-45.3173.8-63.5158.6000111.3L1694 K1697 F1698 L1701 I1707 N1711 F1712 Q1713 P1718L1694-I1715 HydrophobicContact CD2-CG2 3.82Å; K1697-I1715 HydrophobicContact CB-CG2 4.41Å; K1697-I1715 HydrophobicContact CD-CG2 4.23Å; F1698-I1715 HydrophobicContact CD1-CD1 3.69Å; F1698-I1715 HydrophobicContact CE1-CB 4.23Å; F1698-I1715 HydrophobicContact CE1-CD1 3.68Å; F1698-I1715 HydrophobicContact CE1-CG2 3.99Å; F1698-I1715 HydrophobicContact CZ-CG2 4.22Å; L1701-I1715 HydrophobicContact CD1-CD1 3.47Å; L1701-I1715 VanDerWaalsContact CD1-CD1 3.47Å; L1701-I1715 HydrophobicContact CD1-CG1 4.21Å; I1707-I1715 HydrophobicContact CD1-CD1 3.63Å; N1711-I1715 WeakPolarHBondContact O-CD1 3.32Å; N1711-I1715 WeakPolarHBondContact O-CG1 3.4Å; N1711-I1715 PolarHBondContact O-N 2.78Å; N1711-I1715 VanDerWaalsContact O-N 3.13Å; F1712-I1715 PolarHBondContact O-N 3.46Å; Q1713-I1715 VanDerWaalsContact C-N 3.33Å; Q1713-I1715 PolarHBondContact O-N 2.74Å; I1715-P1718 WeakPolarHBondContact O-CD 3.46Å
1716L75.7Confident73.4Confident4 Ų447.5 Ų47.52%0.02124%0.244CC..Hα-helixtrans-72-38.8-176.2-122.574.7000112.6L1694 F1698 F1712 Q1713 I1719 L1720 L1740 L1743 F1786L1694-L1716 HydrophobicContact CD2-CD1 4.14Å; F1698-L1716 HydrophobicContact CZ-CD1 3.86Å; F1712-L1716 HydrophobicContact CE1-CD2 3.87Å; F1712-L1716 HydrophobicContact CE2-CD1 4.14Å; F1712-L1716 HydrophobicContact CZ-CD1 4.02Å; F1712-L1716 HydrophobicContact CZ-CD2 3.87Å; F1712-L1716 PolarHBondContact O-N 2.93Å; Q1713-L1716 PolarHBondContact O-N 3.19Å; L1716-I1719 PolarHBondContact O-N 2.86Å; L1716-I1719 VanDerWaalsContact O-N 3.16Å; L1716-L1720 HydrophobicContact CB-CD1 4.47Å; L1716-L1720 HydrophobicContact CD2-CD1 4.17Å; L1716-L1720 HydrophobicContact CG-CG 4.48Å; L1716-L1720 PolarHBondContact O-N 3.24Å; L1716-L1740 HydrophobicContact CB-CD2 3.97Å; L1716-L1743 HydrophobicContact CD2-CD1 3.86Å; L1716-F1786 HydrophobicContact CD1-CE1 3.8Å; L1716-F1786 HydrophobicContact CD1-CZ 3.84Å; L1716-F1786 HydrophobicContact CD2-CE2 4.14Å; L1716-F1786 HydrophobicContact CD2-CZ 3.84Å; L1716-F1786 HydrophobicContact CG-CZ 4.33Å
1717K76.1Confident72.3Confident65 Ų6548.8 Ų48.828%0.28325%0.253SS..Hα-helixtrans-49.3-53.2-173.5-175.2170.6-174.5178.70114.4Q1713 I1719 L1720 T1721 Y1737 L1740Q1713-K1717 WeakPolarHBondContact O-CB 3.48Å; Q1713-K1717 PolarHBondContact O-N 3.32Å; K1717-I1719 PolarHBondContact O-N 2.94Å; K1717-L1720 PolarHBondContact O-N 2.88Å; K1717-T1721 WeakPolarHBondContact O-CB 3.28Å; K1717-T1721 PolarHBondContact O-N 2.96Å; K1717-T1721 PolarHBondContact O-OG1 3.02Å; K1717-Y1737 PolarHBondContact NZ-OH 2.9Å; K1717-L1740 HydrophobicContact CB-CD1 3.93Å; K1717-L1740 HydrophobicContact CD-CD1 4.23Å; K1717-L1740 HydrophobicContact CG-CD1 3.98Å
1718P75.6Confident71.2Confident70 Ų7052.3 Ų52.346%0.45527%0.274SS..Hα-helixtrans-62.5-41.7-179.923.5-34000113S1714 I1715 T1721 E1722S1714-P1718 VanDerWaalsContact O-CD 3.22Å; S1714-P1718 WeakPolarHBondContact O-CD 3.47Å; I1715-P1718 WeakPolarHBondContact O-CD 3.46Å; P1718-T1721 PolarHBondContact O-N 3.49Å; P1718-E1722 WeakPolarHBondContact O-CB 3.5Å; P1718-E1722 PolarHBondContact O-N 3.29Å
1719I70.7Confident70.3Confident13 Ų1351.9 Ų51.97%0.06728%0.28CS..Hα-helixtrans-68.6-39.7-178.8-62.7162.3000110.5F1686 Y1693 L1694 L1716 K1717 R1723F1686-I1719 HydrophobicContact CE1-CG2 4.28Å; Y1693-I1719 HydrophobicContact CD1-CD1 4.1Å; Y1693-I1719 HydrophobicContact CE1-CD1 4.05Å; L1694-I1719 HydrophobicContact CD1-CD1 4.48Å; L1694-I1719 HydrophobicContact CD2-CD1 3.47Å; L1694-I1719 VanDerWaalsContact CD2-CD1 3.47Å; L1694-I1719 HydrophobicContact CG-CD1 3.87Å; L1716-I1719 PolarHBondContact O-N 2.86Å; L1716-I1719 VanDerWaalsContact O-N 3.16Å; K1717-I1719 PolarHBondContact O-N 2.94Å; I1719-R1723 WeakPolarHBondContact O-CB 3.45Å; I1719-R1723 WeakPolarHBondContact O-CG 3.49Å; I1719-R1723 PolarHBondContact O-N 2.63Å; I1719-R1723 VanDerWaalsContact O-N 3.07Å
1720L68.2Low69.3Low15 Ų1556.3 Ų56.38%0.07931%0.312CS..Hα-helixtrans-61.6-50.6169.9-71.6-178.7000110.5L1716 K1717 E1722 R1723 F1724 L1736 L1739 L1740 L1743L1716-L1720 HydrophobicContact CB-CD1 4.47Å; L1716-L1720 HydrophobicContact CD2-CD1 4.17Å; L1716-L1720 HydrophobicContact CG-CG 4.48Å; L1716-L1720 PolarHBondContact O-N 3.24Å; K1717-L1720 PolarHBondContact O-N 2.88Å; L1720-E1722 VanDerWaalsContact C-N 3.34Å; L1720-E1722 PolarHBondContact O-N 2.95Å; L1720-R1723 PolarHBondContact O-N 3.31Å; L1720-F1724 HydrophobicContact CB-CD2 4.25Å; L1720-F1724 HydrophobicContact CB-CE2 4.48Å; L1720-F1724 HydrophobicContact CD2-CE2 4.49Å; L1720-F1724 WeakPolarHBondContact O-CB 3.33Å; L1720-F1724 VanDerWaalsContact O-CD2 3.22Å; L1720-F1724 WeakPolarHBondContact O-CD2 3.45Å; L1720-F1724 PolarHBondContact O-N 2.99Å; L1720-L1736 HydrophobicContact CB-CD2 4.46Å; L1720-L1739 HydrophobicContact CD1-CD2 4.1Å; L1720-L1740 HydrophobicContact CD1-CD2 3.73Å; L1720-L1740 HydrophobicContact CD1-CG 3.94Å; L1720-L1743 HydrophobicContact CD1-CD1 4.1Å
1721T71.7Confident68.2Low51 Ų5151.4 Ų51.431%0.31330%0.296SS..Hα-helixtrans-56.8-46.2-178.6-56.10000112.1K1717 P1718 F1724 T1725 L1736K1717-T1721 WeakPolarHBondContact O-CB 3.28Å; K1717-T1721 PolarHBondContact O-N 2.96Å; K1717-T1721 PolarHBondContact O-OG1 3.02Å; P1718-T1721 PolarHBondContact O-N 3.49Å; T1721-F1724 PolarHBondContact O-N 3.4Å; T1721-T1725 PolarHBondContact O-N 3.48Å; T1721-T1725 PolarHBondContact O-OG1 3.35Å; T1721-L1736 HydrophobicContact CG2-CD1 4.29Å
1722E68.7Low67.8Low103 Ų10351.3 Ų51.348%0.48130%0.3SS..Hα-helixtrans-55.3-55.1174.3-178.5174.6-14100111.2P1718 L1720 F1724 T1725 E1726P1718-E1722 WeakPolarHBondContact O-CB 3.5Å; P1718-E1722 PolarHBondContact O-N 3.29Å; L1720-E1722 VanDerWaalsContact C-N 3.34Å; L1720-E1722 PolarHBondContact O-N 2.95Å; E1722-F1724 PolarHBondContact O-N 3.49Å; E1722-T1725 PolarHBondContact O-N 3.09Å; E1722-T1725 VanDerWaalsContact O-N 3.16Å; E1722-T1725 PolarHBondContact O-OG1 3.07Å; E1722-E1726 PolarHBondContact O-N 3.14Å; E1722-E1726 VanDerWaalsContact O-N 3.16Å
1723R61.1Low67.2Low46 Ų4655.6 Ų55.617%0.17433%0.326CS..Hα-helixtrans-62.3-37.8178.7-74.1-50.8-152.1163.28113.5Q1690 I1719 L1720 T1725 E1726 L1727 W2057Q1690-R1723 VanDerWaalsContact NE2-NE 3.15Å; Q1690-R1723 VanDerWaalsContact OE1-CZ 3.3Å; I1719-R1723 WeakPolarHBondContact O-CB 3.45Å; I1719-R1723 WeakPolarHBondContact O-CG 3.49Å; I1719-R1723 PolarHBondContact O-N 2.63Å; I1719-R1723 VanDerWaalsContact O-N 3.07Å; L1720-R1723 PolarHBondContact O-N 3.31Å; R1723-T1725 VanDerWaalsContact C-N 3.34Å; R1723-T1725 PolarHBondContact O-N 3.48Å; R1723-E1726 WeakPolarHBondContact CD-OE2 3.39Å; R1723-E1726 IonicContact CZ-OE2 3.8Å; R1723-E1726 IonicContact NE-OE2 2.79Å; R1723-E1726 IonicContact NH1-OE1 3.07Å; R1723-E1726 IonicContact NH1-OE2 2.7Å; R1723-E1726 PolarHBondContact NH1-OE2 2.9Å; R1723-E1726 PolarHBondContact O-N 3.44Å; R1723-L1727 PolarHBondContact O-N 2.97Å; R1723-W2057 HydrophobicContact CB-CH2 3.57Å; R1723-W2057 HydrophobicContact CB-CZ3 3.61Å; R1723-W2057 HydrophobicContact CG-CH2 4.3Å; R1723-W2057 WeakPolarHBondContact O-CH2 3.45Å; R1723-W2057 WeakPolarHBondContact O-CZ3 3.49Å
1724F64.3Low66.7Low10 Ų1058.4 Ų58.44%0.04434%0.343CS..Hα-helixtrans-62.7-40174.7-93.4-77.1000112.3L1720 T1721 E1722 E1726 T1728 C1731 L1736 L1739 L2061L1720-F1724 HydrophobicContact CB-CD2 4.25Å; L1720-F1724 HydrophobicContact CB-CE2 4.48Å; L1720-F1724 HydrophobicContact CD2-CE2 4.49Å; L1720-F1724 WeakPolarHBondContact O-CB 3.33Å; L1720-F1724 VanDerWaalsContact O-CD2 3.22Å; L1720-F1724 WeakPolarHBondContact O-CD2 3.45Å; L1720-F1724 PolarHBondContact O-N 2.99Å; T1721-F1724 PolarHBondContact O-N 3.4Å; E1722-F1724 PolarHBondContact O-N 3.49Å; F1724-E1726 VanDerWaalsContact C-N 3.34Å; F1724-T1728 PolarHBondContact O-N 3.24Å; F1724-T1728 PolarHBondContact O-OG1 2.59Å; F1724-C1731 HydrophobicContact CB-CB 4.42Å; F1724-C1731 HydrophobicContact CD1-CB 4.39Å; F1724-L1736 HydrophobicContact CB-CD2 4.42Å; F1724-L1736 HydrophobicContact CD2-CD2 3.48Å; F1724-L1736 VanDerWaalsContact CD2-CD2 3.48Å; F1724-L1736 HydrophobicContact CE2-CD2 4Å; F1724-L1736 HydrophobicContact CG-CD2 4Å; F1724-L1739 HydrophobicContact CE2-CD1 4.46Å; F1724-L1739 HydrophobicContact CE2-CD2 4.13Å; F1724-L1739 HydrophobicContact CZ-CD1 3.82Å; F1724-L1739 HydrophobicContact CZ-CD2 4.31Å; F1724-L2061 HydrophobicContact CD1-CD1 4.38Å; F1724-L2061 HydrophobicContact CE1-CD1 3.55Å; F1724-L2061 HydrophobicContact CE1-CD2 3.69Å; F1724-L2061 HydrophobicContact CE1-CG 4.23Å; F1724-L2061 HydrophobicContact CZ-CD1 4.26Å; F1724-L2061 HydrophobicContact CZ-CD2 4.09Å
1725T66.5Low66Low78 Ų7858.3 Ų58.348%0.47934%0.34SS..Hα-helixtrans-68.9-28.8176.650.50000113.9T1721 E1722 R1723 G1729T1721-T1725 PolarHBondContact O-N 3.48Å; T1721-T1725 PolarHBondContact O-OG1 3.35Å; E1722-T1725 PolarHBondContact O-N 3.09Å; E1722-T1725 VanDerWaalsContact O-N 3.16Å; E1722-T1725 PolarHBondContact O-OG1 3.07Å; R1723-T1725 VanDerWaalsContact C-N 3.34Å; R1723-T1725 PolarHBondContact O-N 3.48Å; T1725-G1729 WeakPolarHBondContact CA-O 3.39Å
1726E61.7Low65.4Low111 Ų11158.5 Ų58.552%0.51934%0.34SS..Hα-helixtrans-69.7-37176.4-70.7176.3155.500113.4E1722 R1723 F1724E1722-E1726 PolarHBondContact O-N 3.14Å; E1722-E1726 VanDerWaalsContact O-N 3.16Å; R1723-E1726 WeakPolarHBondContact CD-OE2 3.39Å; R1723-E1726 IonicContact CZ-OE2 3.8Å; R1723-E1726 IonicContact NE-OE2 2.79Å; R1723-E1726 IonicContact NH1-OE1 3.07Å; R1723-E1726 IonicContact NH1-OE2 2.7Å; R1723-E1726 PolarHBondContact NH1-OE2 2.9Å; R1723-E1726 PolarHBondContact O-N 3.44Å; F1724-E1726 VanDerWaalsContact C-N 3.34Å
1727L54.9Low65.2Low63 Ų6363.8 Ų63.833%0.3336%0.361SS..Hα-helixtrans-94.4-42.7-177.1-77.8-167.1000115.2P1683 R1723 W2057 I2058P1683-L1727 HydrophobicContact CB-CD2 4.4Å; R1723-L1727 PolarHBondContact O-N 2.97Å; L1727-W2057 HydrophobicContact CB-CH2 4.41Å; L1727-W2057 HydrophobicContact CD1-CD2 3.55Å; L1727-W2057 HydrophobicContact CD1-CE3 3.83Å; L1727-W2057 HydrophobicContact CD1-CG 4.27Å; L1727-W2057 HydrophobicContact CD1-CH2 3.47Å; L1727-W2057 VanDerWaalsContact CD1-CH2 3.47Å; L1727-W2057 HydrophobicContact CD1-CZ2 3.19Å; L1727-W2057 HydrophobicContact CD1-CZ3 3.77Å; L1727-W2057 HydrophobicContact CD2-CZ2 4.35Å; L1727-W2057 HydrophobicContact CG-CH2 3.57Å; L1727-W2057 HydrophobicContact CG-CZ2 3.57Å; L1727-W2057 HydrophobicContact CG-CZ3 4.16Å; L1727-I2058 HydrophobicContact CD1-CD1 3.94Å; L1727-I2058 HydrophobicContact CD1-CG1 3.49Å; L1727-I2058 VanDerWaalsContact CD1-CG1 3.49Å; L1727-I2058 HydrophobicContact CD2-CD1 4.4Å
1728T56.3Low64.9Low78 Ų7865.9 Ų65.948%0.47937%0.372SS..Hα-helixtrans-122.30.1-16357.10000113.7F1724 L2061F1724-T1728 PolarHBondContact O-N 3.24Å; F1724-T1728 PolarHBondContact O-OG1 2.59Å; T1728-L2061 HydrophobicContact CG2-CD1 4.32Å
1729G60.2Low64.3Low33 Ų3365.2 Ų65.234%0.3436%0.364SS..SBendtrans73.7-149.3-172.900000112.6T1725 C1731T1725-G1729 WeakPolarHBondContact CA-O 3.39Å; G1729-C1731 PolarHBondContact O-N 2.72Å
1730S56.6Low64.2Low122 Ų12264.7 Ų64.785%0.85336%0.361SS*.  trans-74.797.2-173.456.10000112.7
1731C53.3Low64.3Low46 Ų4667.7 Ų67.731%0.31138%0.38SS..  trans-68.5153.4168.2-140.30000111.3F1724 G1729 T1735 L1736F1724-C1731 HydrophobicContact CB-CB 4.42Å; F1724-C1731 HydrophobicContact CD1-CB 4.39Å; G1729-C1731 PolarHBondContact O-N 2.72Å; C1731-T1735 PolarHBondContact SG-OG1 3.07Å; C1731-L1736 HydrophobicContact CB-CD1 4.45Å; C1731-L1736 HydrophobicContact CB-CG 4.36Å
1732S69.2Low63.9Low58 Ų5867.7 Ų67.741%0.40638%0.382SS..  trans-74163172.478.60000110.9D1734 T1735S1732-D1734 PolarHBondContact O-N 2.9Å; S1732-D1734 PolarHBondContact OG-N 2.87Å; S1732-T1735 PolarHBondContact O-OG1 3.21Å; S1732-T1735 PolarHBondContact OG-N 2.94Å; S1732-T1735 PolarHBondContact OG-OG1 3.34Å
1733T66Low63.8Low90 Ų9063.6 Ų63.655%0.55236%0.363SS*.Hα-helixtrans-61.9-27.4173.141.20000112.6Y1737T1733-Y1737 WeakPolarHBondContact O-CD2 3.36Å; T1733-Y1737 PolarHBondContact O-N 2.91Å; T1733-Y1737 VanDerWaalsContact O-N 3.1Å
1734D67.2Low64.1Low101 Ų10162.1 Ų62.154%0.5436%0.359SS..Hα-helixtrans-89.2-41.4-161.9-51.9-16.4000109.7S1732 L1736 Y1737 E1738S1732-D1734 PolarHBondContact O-N 2.9Å; S1732-D1734 PolarHBondContact OG-N 2.87Å; D1734-L1736 VanDerWaalsContact C-N 3.3Å; D1734-L1736 PolarHBondContact O-N 2.86Å; D1734-Y1737 CarbonylContact O-C 3.54Å; D1734-Y1737 PolarHBondContact O-N 2.74Å; D1734-Y1737 VanDerWaalsContact O-N 3.08Å; D1734-E1738 WeakPolarHBondContact O-CG 3.42Å; D1734-E1738 PolarHBondContact O-N 3.06Å
1735T64.3Low64.3Low58 Ų5870.3 Ų70.336%0.35639%0.391SS..Hα-helixtrans-61.8-36.7169.251.20000112.1C1731 S1732 E1738 L1739C1731-T1735 PolarHBondContact SG-OG1 3.07Å; S1732-T1735 PolarHBondContact O-OG1 3.21Å; S1732-T1735 PolarHBondContact OG-N 2.94Å; S1732-T1735 PolarHBondContact OG-OG1 3.34Å; T1735-E1738 PolarHBondContact O-N 3.34Å; T1735-L1739 WeakPolarHBondContact O-CB 3.41Å; T1735-L1739 PolarHBondContact O-N 2.86Å
1736L66.3Low64.3Low13 Ų1372.9 Ų72.97%0.06840%0.396CS..Hα-helixtrans-63.3-40.2171.8-81169.2000112L1720 T1721 F1724 C1731 D1734 L1740L1720-L1736 HydrophobicContact CB-CD2 4.46Å; T1721-L1736 HydrophobicContact CG2-CD1 4.29Å; F1724-L1736 HydrophobicContact CB-CD2 4.42Å; F1724-L1736 HydrophobicContact CD2-CD2 3.48Å; F1724-L1736 VanDerWaalsContact CD2-CD2 3.48Å; F1724-L1736 HydrophobicContact CE2-CD2 4Å; F1724-L1736 HydrophobicContact CG-CD2 4Å; C1731-L1736 HydrophobicContact CB-CD1 4.45Å; C1731-L1736 HydrophobicContact CB-CG 4.36Å; D1734-L1736 VanDerWaalsContact C-N 3.3Å; D1734-L1736 PolarHBondContact O-N 2.86Å; L1736-L1740 WeakPolarHBondContact O-CB 3.33Å; L1736-L1740 WeakPolarHBondContact O-CD1 3.36Å; L1736-L1740 WeakPolarHBondContact O-CG 3.47Å; L1736-L1740 PolarHBondContact O-N 3Å
1737Y70.7Confident64.5Low115 Ų11568.3 Ų68.345%0.45137%0.374SS..Hα-helixtrans-71.1-39176.1-86.4-57.9000113K1717 T1733 D1734 L1740 T1741K1717-Y1737 PolarHBondContact NZ-OH 2.9Å; T1733-Y1737 WeakPolarHBondContact O-CD2 3.36Å; T1733-Y1737 PolarHBondContact O-N 2.91Å; T1733-Y1737 VanDerWaalsContact O-N 3.1Å; D1734-Y1737 CarbonylContact O-C 3.54Å; D1734-Y1737 PolarHBondContact O-N 2.74Å; D1734-Y1737 VanDerWaalsContact O-N 3.08Å; Y1737-L1740 PolarHBondContact O-N 3.35Å; Y1737-T1741 VanDerWaalsContact O-CB 3.32Å; Y1737-T1741 WeakPolarHBondContact O-CB 3.47Å; Y1737-T1741 PolarHBondContact O-N 2.92Å; Y1737-T1741 PolarHBondContact O-OG1 3.39Å
1738E69Low65.1Low110 Ų11070.1 Ų70.151%0.51438%0.376SS..Hα-helixtrans-62.3-45.3174.8-74.6-177.1167.100111.2D1734 T1735 T1741 C1742D1734-E1738 WeakPolarHBondContact O-CG 3.42Å; D1734-E1738 PolarHBondContact O-N 3.06Å; T1735-E1738 PolarHBondContact O-N 3.34Å; E1738-T1741 CarbonylContact O-C 3.56Å; E1738-T1741 WeakPolarHBondContact O-CA 3.27Å; E1738-T1741 WeakPolarHBondContact O-CB 3.49Å; E1738-T1741 PolarHBondContact O-N 2.95Å; E1738-T1741 VanDerWaalsContact O-N 3.1Å; E1738-C1742 PolarHBondContact O-N 2.96Å; E1738-C1742 PolarHBondContact O-SG 2.77Å
1739L63.9Low65.2Low56 Ų5667.1 Ų67.129%0.29336%0.357SS..Hα-helixtrans-69.4-37.9179-168.2138.4000112.4L1720 F1724 T1735 T1741 C1742 L1743 L2061L1720-L1739 HydrophobicContact CD1-CD2 4.1Å; F1724-L1739 HydrophobicContact CE2-CD1 4.46Å; F1724-L1739 HydrophobicContact CE2-CD2 4.13Å; F1724-L1739 HydrophobicContact CZ-CD1 3.82Å; F1724-L1739 HydrophobicContact CZ-CD2 4.31Å; T1735-L1739 WeakPolarHBondContact O-CB 3.41Å; T1735-L1739 PolarHBondContact O-N 2.86Å; L1739-T1741 VanDerWaalsContact C-N 3.27Å; L1739-T1741 PolarHBondContact O-N 2.99Å; L1739-C1742 PolarHBondContact O-N 3.36Å; L1739-L1743 HydrophobicContact CD2-CD1 3.87Å; L1739-L1743 HydrophobicContact CD2-CG 4.43Å; L1739-L1743 WeakPolarHBondContact O-CG 3.43Å; L1739-L1743 PolarHBondContact O-N 2.81Å; L1739-L2061 HydrophobicContact CD1-CD2 4.34Å
1740L68.9Low65.1Low1 Ų168.1 Ų68.11%0.00536%0.359CS..Hα-helixtrans-59.4-37.8167.7-83.8164.2000112.1Q1713 L1716 K1717 L1720 L1736 Y1737 V1744Q1713-L1740 HydrophobicContact CB-CD2 4.47Å; Q1713-L1740 HydrophobicContact CG-CD2 4.32Å; L1716-L1740 HydrophobicContact CB-CD2 3.97Å; K1717-L1740 HydrophobicContact CB-CD1 3.93Å; K1717-L1740 HydrophobicContact CD-CD1 4.23Å; K1717-L1740 HydrophobicContact CG-CD1 3.98Å; L1720-L1740 HydrophobicContact CD1-CD2 3.73Å; L1720-L1740 HydrophobicContact CD1-CG 3.94Å; L1736-L1740 WeakPolarHBondContact O-CB 3.33Å; L1736-L1740 WeakPolarHBondContact O-CD1 3.36Å; L1736-L1740 WeakPolarHBondContact O-CG 3.47Å; L1736-L1740 PolarHBondContact O-N 3Å; Y1737-L1740 PolarHBondContact O-N 3.35Å; L1740-V1744 WeakPolarHBondContact O-CB 3.26Å; L1740-V1744 VanDerWaalsContact O-CG2 3.27Å; L1740-V1744 WeakPolarHBondContact O-CG2 3.37Å; L1740-V1744 PolarHBondContact O-N 3.01Å
1741T69.9Low65.1Low78 Ų7864.7 Ų64.748%0.47933%0.329SS..Hα-helixtrans-72.1-39.1178.4-58.10000111.3Y1737 E1738 L1739 V1744 Y1745Y1737-T1741 VanDerWaalsContact O-CB 3.32Å; Y1737-T1741 WeakPolarHBondContact O-CB 3.47Å; Y1737-T1741 PolarHBondContact O-N 2.92Å; Y1737-T1741 PolarHBondContact O-OG1 3.39Å; E1738-T1741 CarbonylContact O-C 3.56Å; E1738-T1741 WeakPolarHBondContact O-CA 3.27Å; E1738-T1741 WeakPolarHBondContact O-CB 3.49Å; E1738-T1741 PolarHBondContact O-N 2.95Å; E1738-T1741 VanDerWaalsContact O-N 3.1Å; L1739-T1741 VanDerWaalsContact C-N 3.27Å; L1739-T1741 PolarHBondContact O-N 2.99Å; T1741-V1744 PolarHBondContact O-N 2.62Å; T1741-Y1745 WeakPolarHBondContact O-CB 3.42Å; T1741-Y1745 PolarHBondContact O-N 2.75Å
1742C63.6Low65Low52 Ų5264.3 Ų64.335%0.35132%0.323SS..Hα-helixtrans-65.7-39.6174.5-68.70000112.4E1738 L1739 Y1745 K1746E1738-C1742 PolarHBondContact O-N 2.96Å; E1738-C1742 PolarHBondContact O-SG 2.77Å; L1739-C1742 PolarHBondContact O-N 3.36Å; C1742-Y1745 PolarHBondContact O-N 3.25Å; C1742-K1746 WeakPolarHBondContact O-CB 3.33Å; C1742-K1746 WeakPolarHBondContact O-CG 3.43Å; C1742-K1746 PolarHBondContact O-N 3.32Å
1743L65Low64Low16 Ų1666 Ų668%0.08433%0.331CS..Hα-helixtrans-64.5-47172.3-72.7172.2000111.3L1716 L1720 L1739 Y1745 K1746 Y1747 F2053L1716-L1743 HydrophobicContact CD2-CD1 3.86Å; L1720-L1743 HydrophobicContact CD1-CD1 4.1Å; L1739-L1743 HydrophobicContact CD2-CD1 3.87Å; L1739-L1743 HydrophobicContact CD2-CG 4.43Å; L1739-L1743 WeakPolarHBondContact O-CG 3.43Å; L1739-L1743 PolarHBondContact O-N 2.81Å; L1743-Y1745 VanDerWaalsContact C-N 3.28Å; L1743-Y1745 PolarHBondContact O-N 3.13Å; L1743-K1746 PolarHBondContact O-N 3.41Å; L1743-Y1747 HydrophobicContact CD2-CE2 4.13Å; L1743-Y1747 WeakPolarHBondContact O-CD2 3.21Å; L1743-Y1747 PolarHBondContact O-N 3.2Å; L1743-Y1747 VanDerWaalsContact O-N 3.11Å; L1743-F2053 HydrophobicContact CD2-CE1 4.03Å; L1743-F2053 HydrophobicContact CD2-CZ 4.14Å
1744V69Low63.1Low16 Ų1665.3 Ų65.310%0.09732%0.323CS..Hα-helixtrans-57-41.8174.5159.40000111.8V1709 F1712 Q1713 L1740 T1741 R1748 I1781V1709-V1744 HydrophobicContact CB-CG1 4.37Å; V1709-V1744 HydrophobicContact CG1-CB 4.48Å; V1709-V1744 HydrophobicContact CG1-CG1 3.71Å; V1709-V1744 HydrophobicContact CG1-CG2 3.93Å; V1709-V1744 HydrophobicContact CG2-CG1 3.69Å; F1712-V1744 HydrophobicContact CD1-CG2 4.07Å; F1712-V1744 HydrophobicContact CE1-CG2 4.47Å; Q1713-V1744 HydrophobicContact CG-CG2 3.7Å; L1740-V1744 WeakPolarHBondContact O-CB 3.26Å; L1740-V1744 VanDerWaalsContact O-CG2 3.27Å; L1740-V1744 WeakPolarHBondContact O-CG2 3.37Å; L1740-V1744 PolarHBondContact O-N 3.01Å; T1741-V1744 PolarHBondContact O-N 2.62Å; V1744-R1748 VanDerWaalsContact O-CB 3.23Å; V1744-R1748 WeakPolarHBondContact O-CB 3.29Å; V1744-R1748 PolarHBondContact O-N 2.84Å; V1744-R1748 VanDerWaalsContact O-N 3.15Å; V1744-I1781 HydrophobicContact CB-CD1 4.39Å; V1744-I1781 HydrophobicContact CG2-CD1 3.95Å
1745Y68.1Low62.1Low182 Ų18263 Ų6371%0.71432%0.316SS*.Hα-helixtrans-66.7-39.9177.3-174.6-100.4000112.5T1741 C1742 L1743T1741-Y1745 WeakPolarHBondContact O-CB 3.42Å; T1741-Y1745 PolarHBondContact O-N 2.75Å; C1742-Y1745 PolarHBondContact O-N 3.25Å; L1743-Y1745 VanDerWaalsContact C-N 3.28Å; L1743-Y1745 PolarHBondContact O-N 3.13Å
1746K65.7Low61Low132 Ų13265 Ų6557%0.57433%0.328SS*.Hα-helixtrans-68.3-32.7179.7-79.2-178.2176.7-174.80114.4C1742 L1743C1742-K1746 WeakPolarHBondContact O-CB 3.33Å; C1742-K1746 WeakPolarHBondContact O-CG 3.43Å; C1742-K1746 PolarHBondContact O-N 3.32Å; L1743-K1746 PolarHBondContact O-N 3.41Å
1747Y66.6Low59.8Low14 Ų1473.5 Ų73.56%0.05536%0.364CS..THydrogen-bonded Turntrans-110.311.4-176.1-62.3-79.7000114.3L1743 F1786 A1789 I2050 A2051L1743-Y1747 HydrophobicContact CD2-CE2 4.13Å; L1743-Y1747 WeakPolarHBondContact O-CD2 3.21Å; L1743-Y1747 PolarHBondContact O-N 3.2Å; L1743-Y1747 VanDerWaalsContact O-N 3.11Å; Y1747-F1786 HydrophobicContact CD1-CB 4.32Å; Y1747-F1786 AromaticContact CD2-CD2 3.92Å; Y1747-F1786 HydrophobicContact CD2-CD2 3.92Å; Y1747-F1786 AromaticContact CE2-CD2 3.77Å; Y1747-F1786 HydrophobicContact CE2-CD2 3.77Å; Y1747-F1786 HydrophobicContact CE2-CE2 4.38Å; Y1747-F1786 HydrophobicContact CG-CB 4.44Å; Y1747-F1786 HydrophobicContact CG-CD2 4.43Å; Y1747-A1789 HydrophobicContact CE1-CB 3.86Å; Y1747-A1789 WeakPolarHBondContact OH-CB 3.31Å; Y1747-I2050 HydrophobicContact CE1-CG2 4.26Å; Y1747-A2051 PolarHBondContact OH-O 2.7Å
1748R66.8Low58.1Low102 Ų10275.8 Ų75.839%0.38538%0.382SS..BIsolated β-bridgetrans-69.9126.7176.4163.7175164.2179.4-3.5111.2V1744 Y1779V1744-R1748 VanDerWaalsContact O-CB 3.23Å; V1744-R1748 WeakPolarHBondContact O-CB 3.29Å; V1744-R1748 PolarHBondContact O-N 2.84Å; V1744-R1748 VanDerWaalsContact O-N 3.15Å; R1748-Y1779 VanDerWaalsContact NH2-CZ 3.29Å; R1748-Y1779 PolarHBondContact NH2-OH 3.35Å
1749L59.5Low56.1Low15 Ų1575.7 Ų75.78%0.07939%0.393CS..PPolyproline II helixtrans-78.1159.4176.3-61.7168000112.3F1706 Y1780 D1782 V1979F1706-L1749 HydrophobicContact CD1-CD1 3.32Å; F1706-L1749 HydrophobicContact CE1-CD1 3.53Å; F1706-L1749 HydrophobicContact CG-CD1 4.28Å; L1749-Y1780 PolarHBondContact N-O 3.31Å; L1749-D1782 HydrophobicContact CD1-CB 4.15Å; L1749-D1782 HydrophobicContact CD2-CB 4.2Å; L1749-V1979 HydrophobicContact CB-CG2 4.12Å; L1749-V1979 HydrophobicContact CD1-CG2 3.7Å
1750S57.5Low54.4Low54 Ų5477.6 Ų77.638%0.37842%0.417SS..BIsolated β-bridgetrans-98.1149.3168.2-70.50000111.3L1978S1750-L1978 WeakPolarHBondContact O-CD2 3.42Å
1751F57Low52.4Low49 Ų4983.7 Ų83.722%0.21546%0.455CS..PPolyproline II helixtrans-90.7147.5166.4-64-80.9000109.3T1753 N1754 V1778 Y1780 V1979F1751-T1753 PolarHBondContact O-N 3Å; F1751-N1754 PolarHBondContact O-N 2.84Å; F1751-V1778 WeakPolarHBondContact CZ-O 3.5Å; F1751-Y1780 AromaticContact CE1-CD2 3.88Å; F1751-Y1780 HydrophobicContact CE1-CD2 3.88Å; F1751-Y1780 HydrophobicContact CE1-CE2 4.05Å; F1751-Y1780 AromaticContact CZ-CD2 3.64Å; F1751-Y1780 HydrophobicContact CZ-CD2 3.64Å; F1751-Y1780 AromaticContact CZ-CE2 3.88Å; F1751-Y1780 HydrophobicContact CZ-CE2 3.88Å; F1751-V1979 HydrophobicContact CD1-CB 4.02Å; F1751-V1979 HydrophobicContact CD1-CG1 4.45Å; F1751-V1979 HydrophobicContact CE1-CB 4.07Å; F1751-V1979 HydrophobicContact CE1-CG1 4.13Å
1752E51.3Low50.3Low39 Ų3985.2 Ų85.218%0.18246%0.464CS..G310 helixtrans-50.3-38.3-177.8-61.1-176.399.600112.6N1754 S1755 L1978E1752-N1754 VanDerWaalsContact C-N 3.32Å; E1752-N1754 PolarHBondContact O-N 2.83Å; E1752-S1755 PolarHBondContact O-N 3.36Å; E1752-S1755 PolarHBondContact O-OG 3.26Å; E1752-L1978 HydrophobicContact CG-CB 4.06Å; E1752-L1978 HydrophobicContact CG-CD1 4.14Å
1753T47.4Very low48.5Very low93 Ų9390.1 Ų90.157%0.57149%0.487SS*.G310 helixtrans-65.5-22.8-178.152.30000115.3F1751F1751-T1753 PolarHBondContact O-N 3Å
1754N48Very low46.7Very low75 Ų7597.8 Ų97.840%0.40152%0.522SS..G310 helixtrans-82.4-18-176.4-77.2-21.2000113.6F1751 E1752 V1756F1751-N1754 PolarHBondContact O-N 2.84Å; E1752-N1754 VanDerWaalsContact C-N 3.32Å; E1752-N1754 PolarHBondContact O-N 2.83Å; N1754-V1756 PolarHBondContact O-N 3.29Å; N1754-V1756 VanDerWaalsContact O-N 3.08Å
1755S44.9Very low44.7Very low54 Ų54104 Ų10438%0.37856%0.555SS.*G310 helixtrans-59.2-21.6-174.758.70000115.2E1752E1752-S1755 PolarHBondContact O-N 3.36Å; E1752-S1755 PolarHBondContact O-OG 3.26Å
1756V41.9Very low42.7Very low100 Ų100103 Ų10361%0.60656%0.562SS**G310 helixtrans-91.8-13.1-167.6-1750000113.9N1754N1754-V1756 PolarHBondContact O-N 3.29Å; N1754-V1756 VanDerWaalsContact O-N 3.08Å
1757K41.8Very low40.9Very low190 Ų190103.9 Ų103.983%0.82657%0.572SS**SBendtrans-96.5-1.5-168.9-79.3-176175.8175.20116.7
1758I33.3Very low39.1Very low163 Ų163110.6 Ų110.684%0.83661%0.607SS**  trans-100.490.2-176.9-54-179.2000110.5
1759S28.3Very low37.2Very low108 Ų108114.5 Ų114.576%0.75563%0.627SS**  trans-130.684.1175.765.40000112.6
1760A27.3Very low35.8Very low96 Ų96119.9 Ų119.979%0.79366%0.66SS**  trans41.198.4154.700000120.6
1761T26.9Very low34.4Very low130 Ų130124 Ų12480%0.79868%0.678SS**  trans-155.3135.813742.80000112.2
1762T26.8Very low33.1Very low109 Ų109129.2 Ų129.267%0.66971%0.708SS**  trans53.5119.4146.954.80000122.4
1763D25.6Very low32Very low155 Ų155133.3 Ų133.383%0.82974%0.736SS**  75.1148.5125.3-50.8-19.6000122
1764H27.1Very low31.1Very low178 Ų178137.2 Ų137.282%0.82475%0.747SS**SBendtrans-82.1157.9178.2-82.7-100.8000112.3
1765N26.6Very low30.2Very low147 Ų147141.2 Ų141.279%0.78676%0.764SS**  trans68.674.8163.6-57.3-8.6000117.1
1766D25.9Very low29.8Very low161 Ų161148.3 Ų148.386%0.86179%0.787SS**  trans-170118.7131.7-108.7-22.7000111
1767L29.1Very low30.1Very low149 Ų149149.4 Ų149.478%0.7879%0.786SS**  trans179.166.9153.5-103.9165.7000113.4V1770L1767-V1770 HydrophobicContact CD2-CG2 3.85Å
1768I28.8Very low30.5Very low156 Ų156143.8 Ų143.880%0.877%0.767SS**SBendtrans-105.1125.4153.9-67.3178000107.3
1769K26.4Very low32.1Very low183 Ų183139 Ų13980%0.79674%0.739SS**  trans82.591.5-172.8-54.2150.9-175.9167.70116.2
1770V30.1Very low34.2Very low128 Ų128137 Ų13778%0.77672%0.716SS**  trans-124.4135.9130.9178.80000106.9L1767L1767-V1770 HydrophobicContact CD2-CG2 3.85Å
1771N27.1Very low36.4Very low141 Ų141132.5 Ų132.575%0.75468%0.678SS**  trans-85.1157.9-170.5-80.1-28.4000113.5T1773N1771-T1773 PolarHBondContact O-N 3.34Å
1772N30.4Very low38.8Very low159 Ų159126.7 Ų126.785%0.8564%0.642SS**  trans-39.7128.4166.9-61.9-47.2000113.7
1773T27.7Very low41.5Very low124 Ų124121.8 Ų121.876%0.76161%0.612SS**  trans-162.6127.7136.88.10000110.3N1771N1771-T1773 PolarHBondContact O-N 3.34Å
1774H28.1Very low44Very low175 Ų175115.9 Ų115.981%0.8158%0.578SS**SBendtrans3586.2162.6-55.4-73.7000119.4
1775E31.1Very low46.4Very low160 Ų160108.9 Ų108.975%0.74855%0.545SS*.  -173.5141.2107.4-101.4170.1-160.500111.6Q1777E1775-Q1777 PolarHBondContact O-N 3.02Å; E1775-Q1777 VanDerWaalsContact O-N 3.12Å
1776K36.1Very low48.9Very low202 Ų202101.9 Ų101.988%0.87851%0.508SS*.  trans-83.183.7178.5-76.8-174.7178.1177.50110.3V1778K1776-V1778 PolarHBondContact O-N 2.92Å
1777Q47.1Very low51.3Low124 Ų12494.2 Ų94.258%0.57947%0.467SS*.  trans-64.7105.4166.4-66.9-168.92.800109.6E1775 Y1779E1775-Q1777 PolarHBondContact O-N 3.02Å; E1775-Q1777 VanDerWaalsContact O-N 3.12Å; Q1777-Y1779 HydrophobicContact CB-CE1 3.81Å; Q1777-Y1779 HydrophobicContact CB-CE2 4.45Å; Q1777-Y1779 PolarHBondContact O-N 3.14Å; Q1777-Y1779 PolarHBondContact OE1-OH 3.47Å
1778V51.7Low53.6Low71 Ų7187.3 Ų87.343%0.4343%0.43SS..  trans-75.3113.7175.9179.60000108.3D1708 F1751 K1776 Y1780D1708-V1778 HydrophobicContact CB-CG1 4.36Å; F1751-V1778 WeakPolarHBondContact CZ-O 3.5Å; K1776-V1778 PolarHBondContact O-N 2.92Å; V1778-Y1780 HydrophobicContact CG1-CE1 4.41Å; V1778-Y1780 HydrophobicContact CG1-CE2 4.25Å
1779Y64.8Low55.6Low63 Ų6379.9 Ų79.925%0.24739%0.392CS..  trans-93.8144173.9-53.6-57.5000110.6V1709 R1748 Q1777V1709-Y1779 PolarHBondContact N-O 3.42Å; R1748-Y1779 VanDerWaalsContact NH2-CZ 3.29Å; R1748-Y1779 PolarHBondContact NH2-OH 3.35Å; Q1777-Y1779 HydrophobicContact CB-CE1 3.81Å; Q1777-Y1779 HydrophobicContact CB-CE2 4.45Å; Q1777-Y1779 PolarHBondContact O-N 3.14Å; Q1777-Y1779 PolarHBondContact OE1-OH 3.47Å
1780Y73.2Confident57.7Low67 Ų6771.4 Ų71.426%0.26336%0.357SS..EExtended strand (participates in β ladder)trans-110.5154.4175.5-64.2-80.5000111.3F1706 I1707 D1708 L1749 F1751 V1778 V1979F1706-Y1780 HydrophobicContact CB-CD1 4.43Å; I1707-Y1780 CarbonylContact O-C 3.45Å; I1707-Y1780 WeakPolarHBondContact O-CA 3.32Å; D1708-Y1780 HydrophobicContact CB-CE1 4.47Å; L1749-Y1780 PolarHBondContact N-O 3.31Å; F1751-Y1780 AromaticContact CE1-CD2 3.88Å; F1751-Y1780 HydrophobicContact CE1-CD2 3.88Å; F1751-Y1780 HydrophobicContact CE1-CE2 4.05Å; F1751-Y1780 AromaticContact CZ-CD2 3.64Å; F1751-Y1780 HydrophobicContact CZ-CD2 3.64Å; F1751-Y1780 AromaticContact CZ-CE2 3.88Å; F1751-Y1780 HydrophobicContact CZ-CE2 3.88Å; V1778-Y1780 HydrophobicContact CG1-CE1 4.41Å; V1778-Y1780 HydrophobicContact CG1-CE2 4.25Å; Y1780-V1979 HydrophobicContact CD2-CG1 4.31Å
1781I74.7Confident59.5Low0 Ų065.5 Ų65.50%032%0.321CS..EExtended strand (participates in β ladder)trans-124.3135176.1-68.9171000107.3F1706 I1707 V1709 F1712 V1744 W1783F1706-I1781 WeakPolarHBondContact CA-O 3.43Å; I1707-I1781 HydrophobicContact CG2-CB 4.33Å; I1707-I1781 PolarHBondContact N-O 3.09Å; I1707-I1781 PolarHBondContact O-N 3.2Å; V1709-I1781 HydrophobicContact CG2-CD1 4.05Å; V1709-I1781 HydrophobicContact CG2-CG1 4.37Å; F1712-I1781 HydrophobicContact CB-CD1 4.09Å; F1712-I1781 HydrophobicContact CD1-CD1 3.51Å; F1712-I1781 HydrophobicContact CD2-CD1 4.35Å; F1712-I1781 HydrophobicContact CD2-CG2 4.08Å; F1712-I1781 HydrophobicContact CE1-CD1 3.97Å; F1712-I1781 HydrophobicContact CE2-CG2 4.05Å; F1712-I1781 HydrophobicContact CG-CD1 3.72Å; F1712-I1781 HydrophobicContact CZ-CG2 4.43Å; V1744-I1781 HydrophobicContact CB-CD1 4.39Å; V1744-I1781 HydrophobicContact CG2-CD1 3.95Å; I1781-W1783 PolarHBondContact O-N 3.4Å
1782D77.2Confident61.2Low8 Ų859.1 Ų59.14%0.04329%0.287CS..EExtended strand (participates in β ladder)trans-80.9107.1166.7-164.5-38.8000108.4G1705 F1706 L1749 R1784 Q1785 F1786G1705-D1782 WeakPolarHBondContact O-CA 3.27Å; F1706-D1782 HydrophobicContact CD1-CB 4.05Å; F1706-D1782 HydrophobicContact CE1-CB 4.02Å; F1706-D1782 WeakPolarHBondContact CE1-OD2 3.38Å; L1749-D1782 HydrophobicContact CD1-CB 4.15Å; L1749-D1782 HydrophobicContact CD2-CB 4.2Å; D1782-R1784 PolarHBondContact O-N 3.05Å; D1782-R1784 WeakPolarHBondContact OD1-CA 3.41Å; D1782-R1784 WeakPolarHBondContact OD1-CB 3.49Å; D1782-R1784 WeakPolarHBondContact OD1-CG 3.5Å; D1782-R1784 IonicContact OD1-CZ 2.72Å; D1782-R1784 PolarHBondContact OD1-N 2.99Å; D1782-R1784 IonicContact OD1-NE 2.68Å; D1782-R1784 PolarHBondContact OD1-NE 3.35Å; D1782-R1784 VanDerWaalsContact OD1-NE 3.15Å; D1782-R1784 IonicContact OD1-NH2 3.69Å; D1782-R1784 IonicContact OD2-CZ 3.63Å; D1782-R1784 IonicContact OD2-NE 3.93Å; D1782-R1784 PolarHBondContact OD2-NE 2.75Å; D1782-R1784 IonicContact OD2-NH2 2.65Å; D1782-R1784 PolarHBondContact OD2-NH2 3.07Å; D1782-Q1785 HydrophobicContact CB-CB 4.38Å; D1782-Q1785 HydrophobicContact CB-CG 4.17Å; D1782-Q1785 PolarHBondContact O-N 3.23Å; D1782-F1786 PolarHBondContact O-N 3.46Å
1783W81.7Confident62.5Low7 Ų751.7 Ų51.73%0.02725%0.247CC..Hα-helixtrans-67.5-19.7-178.262.5-108.2000112.3F1698 S1699 S1702 G1705 I1707 I1781 L1787 I1862F1698-W1783 HydrophobicContact CB-CB 4.09Å; F1698-W1783 HydrophobicContact CB-CD2 3.42Å; F1698-W1783 VanDerWaalsContact CB-CD2 3.42Å; F1698-W1783 HydrophobicContact CB-CE3 3.8Å; F1698-W1783 HydrophobicContact CB-CG 3.55Å; F1698-W1783 HydrophobicContact CB-CZ2 4.35Å; F1698-W1783 HydrophobicContact CB-CZ3 4.42Å; F1698-W1783 HydrophobicContact CD1-CB 4.06Å; F1698-W1783 HydrophobicContact CD1-CG 4.34Å; F1698-W1783 HydrophobicContact CD2-CB 3.92Å; F1698-W1783 HydrophobicContact CD2-CD2 4.35Å; F1698-W1783 HydrophobicContact CD2-CE3 4.23Å; F1698-W1783 HydrophobicContact CD2-CG 4.26Å; F1698-W1783 HydrophobicContact CE1-CB 4.45Å; F1698-W1783 HydrophobicContact CE2-CB 4.31Å; F1698-W1783 HydrophobicContact CG-CB 3.79Å; F1698-W1783 HydrophobicContact CG-CD2 4.09Å; F1698-W1783 HydrophobicContact CG-CE3 4.37Å; F1698-W1783 AromaticContact CG-CG 3.84Å; F1698-W1783 HydrophobicContact CG-CG 3.84Å; S1699-W1783 WeakPolarHBondContact OG-CH2 3.48Å; S1702-W1783 PolarHBondContact O-NE1 3.08Å; G1705-W1783 VanDerWaalsContact C-CD1 3.46Å; G1705-W1783 PolarHBondContact O-N 2.68Å; G1705-W1783 PolarHBondContact O-NE1 3.43Å; I1707-W1783 HydrophobicContact CG2-CB 4.08Å; I1781-W1783 PolarHBondContact O-N 3.4Å; W1783-L1787 HydrophobicContact CE3-CD1 3.63Å; W1783-L1787 HydrophobicContact CE3-CG 4.41Å; W1783-L1787 HydrophobicContact CZ3-CD1 3.75Å; W1783-L1787 WeakPolarHBondContact O-CG 3.43Å; W1783-L1787 PolarHBondContact O-N 2.91Å; W1783-I1862 WeakPolarHBondContact CH2-O 3.32Å; W1783-I1862 HydrophobicContact CZ3-CG2 4.08Å
1784R79.7Confident63.9Low31 Ų3147.1 Ų47.112%0.11722%0.222CC..Hα-helixtrans-73.3-39.2177.2-55.4174.6-71.1-152.7-7.1111T1704 D1782 L1787 L1788 I1862 F1863T1704-R1784 PolarHBondContact O-NH1 3.39Å; T1704-R1784 PolarHBondContact O-NH2 3Å; T1704-R1784 VanDerWaalsContact O-NH2 3.1Å; D1782-R1784 PolarHBondContact O-N 3.05Å; D1782-R1784 WeakPolarHBondContact OD1-CA 3.41Å; D1782-R1784 WeakPolarHBondContact OD1-CB 3.49Å; D1782-R1784 WeakPolarHBondContact OD1-CG 3.5Å; D1782-R1784 IonicContact OD1-CZ 2.72Å; D1782-R1784 PolarHBondContact OD1-N 2.99Å; D1782-R1784 IonicContact OD1-NE 2.68Å; D1782-R1784 PolarHBondContact OD1-NE 3.35Å; D1782-R1784 VanDerWaalsContact OD1-NE 3.15Å; D1782-R1784 IonicContact OD1-NH2 3.69Å; D1782-R1784 IonicContact OD2-CZ 3.63Å; D1782-R1784 IonicContact OD2-NE 3.93Å; D1782-R1784 PolarHBondContact OD2-NE 2.75Å; D1782-R1784 IonicContact OD2-NH2 2.65Å; D1782-R1784 PolarHBondContact OD2-NH2 3.07Å; R1784-L1787 PolarHBondContact O-N 3.38Å; R1784-L1788 WeakPolarHBondContact O-CB 3.42Å; R1784-L1788 WeakPolarHBondContact O-CG 3.33Å; R1784-L1788 PolarHBondContact O-N 3.28Å; R1784-I1862 HydrophobicContact CB-CG2 3.48Å; R1784-I1862 VanDerWaalsContact CB-CG2 3.48Å; R1784-I1862 HydrophobicContact CG-CG2 3.56Å; R1784-F1863 HydrophobicContact CB-CE1 4.35Å; R1784-F1863 HydrophobicContact CB-CZ 4.08Å
1785Q76.8Confident65.3Low30 Ų3039 Ų3914%0.1418%0.184CC..Hα-helixtrans-64.2-41.8172.6-69.5-173.3-7.300111.4D1782 L1788 A1789 N1910D1782-Q1785 HydrophobicContact CB-CB 4.38Å; D1782-Q1785 HydrophobicContact CB-CG 4.17Å; D1782-Q1785 PolarHBondContact O-N 3.23Å; Q1785-L1788 PolarHBondContact O-N 3.03Å; Q1785-A1789 WeakPolarHBondContact O-CB 3.48Å; Q1785-A1789 PolarHBondContact O-N 2.86Å; Q1785-N1910 VanDerWaalsContact CG-OD1 3.23Å; Q1785-N1910 WeakPolarHBondContact CG-OD1 3.27Å; Q1785-N1910 PolarHBondContact NE2-OD1 2.73Å
1786F79.2Confident66.4Low1 Ų134.6 Ų34.60%0.00417%0.168CC..Hα-helixtrans-60.4-44.6174171.7-97.5000112.7F1698 F1712 L1716 Y1747 D1782 A1789 A1790 F2053F1698-F1786 HydrophobicContact CE2-CD1 4.18Å; F1698-F1786 HydrophobicContact CE2-CE1 4.37Å; F1698-F1786 HydrophobicContact CZ-CD1 4.5Å; F1712-F1786 HydrophobicContact CE2-CB 4.38Å; F1712-F1786 HydrophobicContact CE2-CD1 4.01Å; F1712-F1786 HydrophobicContact CE2-CD2 4.37Å; F1712-F1786 HydrophobicContact CE2-CE1 4.46Å; F1712-F1786 AromaticContact CE2-CG 3.97Å; F1712-F1786 HydrophobicContact CE2-CG 3.97Å; F1712-F1786 HydrophobicContact CZ-CD1 4.19Å; F1712-F1786 AromaticContact CZ-CD2 3.83Å; F1712-F1786 HydrophobicContact CZ-CD2 3.83Å; F1712-F1786 HydrophobicContact CZ-CE1 4.42Å; F1712-F1786 HydrophobicContact CZ-CE2 4.06Å; F1712-F1786 AromaticContact CZ-CG 3.9Å; F1712-F1786 HydrophobicContact CZ-CG 3.9Å; F1712-F1786 HydrophobicContact CZ-CZ 4.36Å; L1716-F1786 HydrophobicContact CD1-CE1 3.8Å; L1716-F1786 HydrophobicContact CD1-CZ 3.84Å; L1716-F1786 HydrophobicContact CD2-CE2 4.14Å; L1716-F1786 HydrophobicContact CD2-CZ 3.84Å; L1716-F1786 HydrophobicContact CG-CZ 4.33Å; Y1747-F1786 HydrophobicContact CD1-CB 4.32Å; Y1747-F1786 AromaticContact CD2-CD2 3.92Å; Y1747-F1786 HydrophobicContact CD2-CD2 3.92Å; Y1747-F1786 AromaticContact CE2-CD2 3.77Å; Y1747-F1786 HydrophobicContact CE2-CD2 3.77Å; Y1747-F1786 HydrophobicContact CE2-CE2 4.38Å; Y1747-F1786 HydrophobicContact CG-CB 4.44Å; Y1747-F1786 HydrophobicContact CG-CD2 4.43Å; D1782-F1786 PolarHBondContact O-N 3.46Å; F1786-A1789 WeakPolarHBondContact O-CB 3.34Å; F1786-A1789 PolarHBondContact O-N 2.81Å; F1786-A1790 PolarHBondContact O-N 2.85Å; F1786-F2053 HydrophobicContact CE2-CZ 4.31Å
1787L77.3Confident67.4Low0 Ų029.4 Ų29.40%014%0.144CC..Hα-helixtrans-68.4-40.5177.6-71179.8000112.8L1691 L1694 C1695 F1698 W1783 R1784 A1789 A1790 C1791 F1858 I1862L1691-L1787 HydrophobicContact CD2-CD2 4.2Å; L1694-L1787 HydrophobicContact CB-CD2 3.94Å; L1694-L1787 HydrophobicContact CD1-CD2 4.43Å; C1695-L1787 HydrophobicContact CB-CD1 3.68Å; F1698-L1787 HydrophobicContact CD2-CD1 4.29Å; F1698-L1787 HydrophobicContact CD2-CG 4.45Å; F1698-L1787 HydrophobicContact CE2-CD2 4.34Å; W1783-L1787 HydrophobicContact CE3-CD1 3.63Å; W1783-L1787 HydrophobicContact CE3-CG 4.41Å; W1783-L1787 HydrophobicContact CZ3-CD1 3.75Å; W1783-L1787 WeakPolarHBondContact O-CG 3.43Å; W1783-L1787 PolarHBondContact O-N 2.91Å; R1784-L1787 PolarHBondContact O-N 3.38Å; L1787-A1789 VanDerWaalsContact C-N 3.27Å; L1787-A1789 PolarHBondContact O-N 2.59Å; L1787-A1790 PolarHBondContact O-N 3.47Å; L1787-C1791 PolarHBondContact O-N 2.78Å; L1787-C1791 PolarHBondContact O-SG 2.78Å; L1787-F1858 HydrophobicContact CD1-CZ 4.32Å; L1787-I1862 HydrophobicContact CB-CD1 4.02Å; L1787-I1862 HydrophobicContact CD1-CG1 4.31Å
1788L75.6Confident67.9Low3 Ų328 Ų282%0.01614%0.138CC..Hα-helixtrans-63.3-33.5174.1-74.1174.1000112.3R1784 Q1785 C1791 Q1792 I1859 I1862 F1863 N1910R1784-L1788 WeakPolarHBondContact O-CB 3.42Å; R1784-L1788 WeakPolarHBondContact O-CG 3.33Å; R1784-L1788 PolarHBondContact O-N 3.28Å; Q1785-L1788 PolarHBondContact O-N 3.03Å; L1788-C1791 PolarHBondContact O-N 3.28Å; L1788-Q1792 PolarHBondContact O-N 2.71Å; L1788-Q1792 PolarHBondContact O-NE2 2.96Å; L1788-I1859 HydrophobicContact CD2-CG1 4.15Å; L1788-I1862 HydrophobicContact CD2-CD1 4.08Å; L1788-I1862 HydrophobicContact CG-CD1 4.32Å; L1788-F1863 HydrophobicContact CD1-CE2 3.98Å; L1788-F1863 HydrophobicContact CD1-CZ 3.89Å; L1788-N1910 HydrophobicContact CD1-CB 3.75Å
1789A70.8Confident68.1Low0 Ų033.2 Ų33.20%016%0.157CC..Hα-helixtrans-66.6-42.5171.500000112.1Y1747 Q1785 F1786 L1787 C1791 Q1792 I2050 F2053Y1747-A1789 HydrophobicContact CE1-CB 3.86Å; Y1747-A1789 WeakPolarHBondContact OH-CB 3.31Å; Q1785-A1789 WeakPolarHBondContact O-CB 3.48Å; Q1785-A1789 PolarHBondContact O-N 2.86Å; F1786-A1789 WeakPolarHBondContact O-CB 3.34Å; F1786-A1789 PolarHBondContact O-N 2.81Å; L1787-A1789 VanDerWaalsContact C-N 3.27Å; L1787-A1789 PolarHBondContact O-N 2.59Å; A1789-C1791 PolarHBondContact O-N 2.66Å; A1789-Q1792 WeakPolarHBondContact O-CB 3.32Å; A1789-Q1792 PolarHBondContact O-N 3.46Å; A1789-Q1792 VanDerWaalsContact O-N 3.07Å; A1789-I2050 HydrophobicContact CB-CG2 3.65Å; A1789-F2053 HydrophobicContact CB-CE2 4.17Å
1790A70.5Confident67.8Low6 Ų633.9 Ų33.95%0.0517%0.171CC..Hα-helixtrans-66.6-23.4177.100000113.3F1686 L1691 F1786 L1787F1686-A1790 HydrophobicContact CD2-CB 3.97Å; F1686-A1790 HydrophobicContact CE2-CB 4.41Å; L1691-A1790 HydrophobicContact CD2-CB 3.72Å; F1786-A1790 PolarHBondContact O-N 2.85Å; L1787-A1790 PolarHBondContact O-N 3.47Å
1791C69.2Low67.2Low4 Ų430.9 Ų30.93%0.02716%0.159CC..Hα-helixtrans-80.5-17.7169.9-70.20000114.6L1787 L1788 A1789 A1794 F1858L1787-C1791 PolarHBondContact O-N 2.78Å; L1787-C1791 PolarHBondContact O-SG 2.78Å; L1788-C1791 PolarHBondContact O-N 3.28Å; A1789-C1791 PolarHBondContact O-N 2.66Å; C1791-A1794 PolarHBondContact O-N 2.83Å; C1791-F1858 VanDerWaalsContact SG-CE1 3.54Å
1792Q63.4Low67.1Low7 Ų734.2 Ų34.23%0.03318%0.179CC..Hα-helixtrans-55.6-43.3-173.2-77-51.1-59.300115.4L1788 A1789 A1794 I1795 T1796 I1914 Q1915L1788-Q1792 PolarHBondContact O-N 2.71Å; L1788-Q1792 PolarHBondContact O-NE2 2.96Å; A1789-Q1792 WeakPolarHBondContact O-CB 3.32Å; A1789-Q1792 PolarHBondContact O-N 3.46Å; A1789-Q1792 VanDerWaalsContact O-N 3.07Å; Q1792-A1794 VanDerWaalsContact C-N 3.31Å; Q1792-A1794 PolarHBondContact O-N 3.26Å; Q1792-I1795 WeakPolarHBondContact O-CA 3.42Å; Q1792-I1795 WeakPolarHBondContact O-CB 3.36Å; Q1792-I1795 PolarHBondContact O-N 3.18Å; Q1792-T1796 PolarHBondContact O-N 2.99Å; Q1792-T1796 PolarHBondContact O-OG1 3.39Å; Q1792-I1914 VanDerWaalsContact CD-CG2 3.41Å; Q1792-Q1915 VanDerWaalsContact OE1-NE2 3.16Å
1793P56.9Low67Low3 Ų333.9 Ų33.92%0.01918%0.178CC..Hα-helixtrans-67.7-34.7-171-26.339.6000112.9Y1685 I1795 T1796 Y1797 F2053Y1685-P1793 HydrophobicContact CD1-CB 3.33Å; Y1685-P1793 HydrophobicContact CD1-CG 3.34Å; Y1685-P1793 HydrophobicContact CD2-CB 3.51Å; Y1685-P1793 HydrophobicContact CD2-CG 4.45Å; Y1685-P1793 HydrophobicContact CE1-CB 3.27Å; Y1685-P1793 HydrophobicContact CE1-CG 3.36Å; Y1685-P1793 HydrophobicContact CE2-CB 3.44Å; Y1685-P1793 VanDerWaalsContact CE2-CB 3.44Å; Y1685-P1793 HydrophobicContact CE2-CG 4.45Å; Y1685-P1793 HydrophobicContact CG-CB 3.48Å; Y1685-P1793 VanDerWaalsContact CG-CB 3.48Å; Y1685-P1793 HydrophobicContact CG-CG 3.95Å; P1793-I1795 PolarHBondContact O-N 2.95Å; P1793-T1796 VanDerWaalsContact CA-OG1 3.32Å; P1793-T1796 WeakPolarHBondContact CA-OG1 3.24Å; P1793-T1796 PolarHBondContact O-N 2.92Å; P1793-T1796 VanDerWaalsContact O-N 3.15Å; P1793-T1796 PolarHBondContact O-OG1 3.09Å; P1793-Y1797 WeakPolarHBondContact O-CD2 3.09Å; P1793-F2053 HydrophobicContact CG-CB 4.35Å
1794A56.2Low66.9Low28 Ų2834.6 Ų34.623%0.23118%0.183CC..Hα-helixtrans-64-22.2171.300000113.3C1791 Q1792 Y1852 L1855C1791-A1794 PolarHBondContact O-N 2.83Å; Q1792-A1794 VanDerWaalsContact C-N 3.31Å; Q1792-A1794 PolarHBondContact O-N 3.26Å; A1794-Y1852 PolarHBondContact O-OH 2.97Å; A1794-L1855 HydrophobicContact CB-CD1 4.13Å
1795I57.5Low67Low3 Ų333.1 Ų33.12%0.01518%0.177CC..Hα-helixtrans-82.1-39.4172.8-58.6170.9000110Q1792 P1793 Y1797 T1801 F1845 L1855Q1792-I1795 WeakPolarHBondContact O-CA 3.42Å; Q1792-I1795 WeakPolarHBondContact O-CB 3.36Å; Q1792-I1795 PolarHBondContact O-N 3.18Å; P1793-I1795 PolarHBondContact O-N 2.95Å; I1795-Y1797 PolarHBondContact O-N 3.09Å; I1795-T1801 VanDerWaalsContact O-CB 3.3Å; I1795-T1801 WeakPolarHBondContact O-CB 3.26Å; I1795-T1801 WeakPolarHBondContact O-CG2 3.32Å; I1795-T1801 PolarHBondContact O-OG1 2.96Å; I1795-F1845 HydrophobicContact CD1-CE1 4.35Å; I1795-F1845 HydrophobicContact CG1-CE1 4.23Å; I1795-L1855 HydrophobicContact CD1-CD2 4.29Å; I1795-L1855 HydrophobicContact CG1-CD1 4.27Å; I1795-L1855 HydrophobicContact CG1-CD2 4.38Å
1796T54.7Low67.2Low68 Ų6833 Ų3342%0.41718%0.18SC..Hα-helixtrans-74-13.2-171.946.50000116.7Q1792 P1793 H1798Q1792-T1796 PolarHBondContact O-N 2.99Å; Q1792-T1796 PolarHBondContact O-OG1 3.39Å; P1793-T1796 VanDerWaalsContact CA-OG1 3.32Å; P1793-T1796 WeakPolarHBondContact CA-OG1 3.24Å; P1793-T1796 PolarHBondContact O-N 2.92Å; P1793-T1796 VanDerWaalsContact O-N 3.15Å; P1793-T1796 PolarHBondContact O-OG1 3.09Å; T1796-H1798 VanDerWaalsContact C-N 3.27Å; T1796-H1798 PolarHBondContact O-N 3.45Å
1797Y57.3Low67.3Low94 Ų9433.5 Ų33.537%0.36918%0.183SC..THydrogen-bonded Turntrans-66.3-20.6-173.2-91.7-77.1000115.6Q1684 Y1685 P1793 I1795Q1684-Y1797 PolarHBondContact OE1-OH 2.69Å; Y1685-Y1797 HydrophobicContact CD2-CE2 4.04Å; Y1685-Y1797 AromaticContact CE2-CE2 3.67Å; Y1685-Y1797 HydrophobicContact CE2-CE2 3.67Å; P1793-Y1797 WeakPolarHBondContact O-CD2 3.09Å; I1795-Y1797 PolarHBondContact O-N 3.09Å
1798H57Low67.5Low95 Ų9533.5 Ų33.544%0.4418%0.183SC..SBendtrans-110.9128.5174.9-74.2-87.3000111T1796 S1800 T1801T1796-H1798 VanDerWaalsContact C-N 3.27Å; T1796-H1798 PolarHBondContact O-N 3.45Å; H1798-S1800 PolarHBondContact O-N 3.46Å; H1798-T1801 HydrophobicContact CB-CG2 3.82Å; H1798-T1801 PolarHBondContact O-N 3.46Å; H1798-T1801 VanDerWaalsContact O-N 3.11Å; H1798-T1801 PolarHBondContact O-OG1 3.38Å
1799H56.6Low67.9Low180 Ų18033.4 Ų33.483%0.83318%0.183SC*.THydrogen-bonded Turntrans-61.2-9.8179.854.7-98.9000114.9
1800S57.7Low68.5Low77 Ų7737.1 Ų37.154%0.53820%0.2SC..THydrogen-bonded Turntrans-89.1-5.5177.451.80000114.7H1798H1798-S1800 PolarHBondContact O-N 3.46Å
1801T62.5Low69.1Low4 Ų437 Ų373%0.02520%0.199CC..  trans-95.314.9-171.166.10000114.4I1795 H1798 I1803 W1844I1795-T1801 VanDerWaalsContact O-CB 3.3Å; I1795-T1801 WeakPolarHBondContact O-CB 3.26Å; I1795-T1801 WeakPolarHBondContact O-CG2 3.32Å; I1795-T1801 PolarHBondContact O-OG1 2.96Å; H1798-T1801 HydrophobicContact CB-CG2 3.82Å; H1798-T1801 PolarHBondContact O-N 3.46Å; H1798-T1801 VanDerWaalsContact O-N 3.11Å; H1798-T1801 PolarHBondContact O-OG1 3.38Å; T1801-I1803 PolarHBondContact O-N 3.38Å; T1801-I1803 VanDerWaalsContact O-N 3.15Å; T1801-W1844 WeakPolarHBondContact CA-O 3.06Å; T1801-W1844 VanDerWaalsContact CB-O 3.27Å; T1801-W1844 WeakPolarHBondContact CB-O 3.42Å; T1801-W1844 VanDerWaalsContact CG2-O 3.3Å; T1801-W1844 WeakPolarHBondContact CG2-O 3.49Å
1802V71.1Confident69.8Low70 Ų7036.9 Ų36.942%0.42420%0.198SC..  trans-61.8118179.1-176.80000109.4T1804V1802-T1804 HydrophobicContact CG1-CG2 4.05Å; V1802-T1804 PolarHBondContact O-N 3.07Å
1803I75.9Confident70.7Confident1 Ų140.9 Ų40.91%0.00522%0.216CC..  trans-73124171.8-55.3-171.2000107.6T1801 L1808 W1844 I1911 I1914 R1925T1801-I1803 PolarHBondContact O-N 3.38Å; T1801-I1803 VanDerWaalsContact O-N 3.15Å; I1803-L1808 HydrophobicContact CG2-CD1 3.74Å; I1803-L1808 HydrophobicContact CG2-CD2 3.71Å; I1803-L1808 HydrophobicContact CG2-CG 3.6Å; I1803-W1844 HydrophobicContact CD1-CD2 4.33Å; I1803-W1844 HydrophobicContact CD1-CZ2 3.93Å; I1803-W1844 HydrophobicContact CG1-CD2 3.85Å; I1803-W1844 HydrophobicContact CG1-CE3 4.5Å; I1803-W1844 HydrophobicContact CG1-CG 3.9Å; I1803-W1844 HydrophobicContact CG1-CZ2 4.32Å; I1803-W1844 HydrophobicContact CG2-CE3 4.4Å; I1803-W1844 HydrophobicContact CG2-CH2 4.38Å; I1803-W1844 HydrophobicContact CG2-CZ3 4.32Å; I1803-I1911 HydrophobicContact CD1-CG2 4.17Å; I1803-I1914 HydrophobicContact CD1-CB 4.05Å; I1803-I1914 HydrophobicContact CD1-CD1 4.15Å; I1803-I1914 HydrophobicContact CD1-CG2 3.7Å; I1803-R1925 PolarHBondContact O-NH1 2.87Å; I1803-R1925 PolarHBondContact O-NH2 3.21Å
1804T79.4Confident71.9Confident22 Ų2245.5 Ų45.514%0.13523%0.233CC..  trans-122.7155.7-174.962.80000111.4V1802 S1806 S1807 L1808 Y1953 E1954V1802-T1804 HydrophobicContact CG1-CG2 4.05Å; V1802-T1804 PolarHBondContact O-N 3.07Å; T1804-S1806 PolarHBondContact O-N 2.88Å; T1804-S1806 PolarHBondContact OG1-OG 2.75Å; T1804-S1807 PolarHBondContact N-OG 3.08Å; T1804-S1807 PolarHBondContact O-N 3.03Å; T1804-S1807 PolarHBondContact O-OG 2.85Å; T1804-S1807 PolarHBondContact OG1-N 3.41Å; T1804-S1807 PolarHBondContact OG1-OG 3.02Å; T1804-L1808 WeakPolarHBondContact O-CB 3.4Å; T1804-L1808 VanDerWaalsContact O-CG 3.28Å; T1804-L1808 WeakPolarHBondContact O-CG 3.15Å; T1804-L1808 PolarHBondContact O-N 2.8Å; T1804-Y1953 WeakPolarHBondContact CG2-O 3.49Å; T1804-E1954 VanDerWaalsContact CA-OE2 3.3Å; T1804-E1954 WeakPolarHBondContact CA-OE2 3.47Å
1805Q80.8Confident73Confident0 Ų044.2 Ų44.20%022%0.222CC..Hα-helixtrans-54.7-38175.5-166.7-178.6-27.300112V1809 R1925 S1928 V1935 Y1937 E1954 V1956Q1805-V1809 VanDerWaalsContact O-CG2 3.31Å; Q1805-V1809 WeakPolarHBondContact O-CG2 3.29Å; Q1805-V1809 PolarHBondContact O-N 2.9Å; Q1805-R1925 HydrophobicContact CB-CG 4.48Å; Q1805-S1928 WeakPolarHBondContact CG-OG 3.41Å; Q1805-S1928 PolarHBondContact NE2-OG 3.14Å; Q1805-V1935 PolarHBondContact NE2-O 3.4Å; Q1805-Y1937 VanDerWaalsContact OE1-CZ 3.26Å; Q1805-Y1937 PolarHBondContact OE1-OH 3.34Å; Q1805-E1954 HydrophobicContact CB-CB 4.36Å; Q1805-E1954 PolarHBondContact N-O 3.02Å; Q1805-E1954 PolarHBondContact N-OE2 3.24Å; Q1805-V1956 HydrophobicContact CB-CG2 3.97Å; Q1805-V1956 HydrophobicContact CG-CG2 4.13Å
1806S81.7Confident74Confident27 Ų2747.3 Ų47.319%0.18924%0.238CC..Hα-helixtrans-64.3-52.9176550000113.8T1804 L1808 V1809 E1810 E1954 G1955T1804-S1806 PolarHBondContact O-N 2.88Å; T1804-S1806 PolarHBondContact OG1-OG 2.75Å; S1806-L1808 PolarHBondContact O-N 3.03Å; S1806-V1809 PolarHBondContact O-N 3.41Å; S1806-V1809 VanDerWaalsContact O-N 3.12Å; S1806-E1810 WeakPolarHBondContact O-CG 3.28Å; S1806-E1810 PolarHBondContact O-N 2.84Å; S1806-E1954 PolarHBondContact N-O 3.49Å; S1806-E1954 PolarHBondContact OG-O 3.34Å; S1806-G1955 WeakPolarHBondContact CB-O 3.4Å
1807S81.3Confident75.1Confident11 Ų1150.3 Ų50.38%0.07725%0.247CC..Hα-helixtrans-66.9-27.5-179.4590000112.8T1804 L1811T1804-S1807 PolarHBondContact N-OG 3.08Å; T1804-S1807 PolarHBondContact O-N 3.03Å; T1804-S1807 PolarHBondContact O-OG 2.85Å; T1804-S1807 PolarHBondContact OG1-N 3.41Å; T1804-S1807 PolarHBondContact OG1-OG 3.02Å; S1807-L1811 WeakPolarHBondContact O-CB 3.26Å; S1807-L1811 PolarHBondContact O-N 3.24Å
1808L82.3Confident76Confident0 Ų047 Ų470%024%0.235CC..Hα-helixtrans-68.9-40.9170.4-76.8175.4000113.4I1803 T1804 S1806 L1811 S1812 W1844 I1911 R1925 T1929I1803-L1808 HydrophobicContact CG2-CD1 3.74Å; I1803-L1808 HydrophobicContact CG2-CD2 3.71Å; I1803-L1808 HydrophobicContact CG2-CG 3.6Å; T1804-L1808 WeakPolarHBondContact O-CB 3.4Å; T1804-L1808 VanDerWaalsContact O-CG 3.28Å; T1804-L1808 WeakPolarHBondContact O-CG 3.15Å; T1804-L1808 PolarHBondContact O-N 2.8Å; S1806-L1808 PolarHBondContact O-N 3.03Å; L1808-L1811 PolarHBondContact O-N 2.97Å; L1808-S1812 PolarHBondContact O-N 3.43Å; L1808-W1844 HydrophobicContact CD2-CH2 3.82Å; L1808-W1844 HydrophobicContact CD2-CZ3 4.07Å; L1808-I1911 HydrophobicContact CD2-CG2 3.82Å; L1808-R1925 HydrophobicContact CD1-CB 4.21Å; L1808-R1925 HydrophobicContact CD1-CG 4.29Å; L1808-T1929 HydrophobicContact CB-CG2 3.63Å; L1808-T1929 HydrophobicContact CD1-CG2 4.33Å; L1808-T1929 HydrophobicContact CD2-CG2 4.27Å; L1808-T1929 HydrophobicContact CG-CG2 4.31Å
1809V83.3Confident76.7Confident1 Ų143.5 Ų43.51%0.00622%0.22CC..Hα-helixtrans-64.6-45.6174.2166.90000110.3Q1805 S1806 L1811 S1812 Q1813Q1805-V1809 VanDerWaalsContact O-CG2 3.31Å; Q1805-V1809 WeakPolarHBondContact O-CG2 3.29Å; Q1805-V1809 PolarHBondContact O-N 2.9Å; S1806-V1809 PolarHBondContact O-N 3.41Å; S1806-V1809 VanDerWaalsContact O-N 3.12Å; V1809-L1811 PolarHBondContact O-N 3.49Å; V1809-S1812 PolarHBondContact O-N 3.23Å; V1809-S1812 VanDerWaalsContact O-N 3.14Å; V1809-S1812 PolarHBondContact O-OG 3Å; V1809-Q1813 WeakPolarHBondContact O-CG 3.49Å; V1809-Q1813 PolarHBondContact O-N 2.9Å
1810E82.9Confident77.1Confident78 Ų7843.5 Ų43.536%0.36422%0.22SC..Hα-helixtrans-60.6-41.6176-67.4-178.5124.500112.5S1806 S1812 Q1813 R1814 K1843S1806-E1810 WeakPolarHBondContact O-CG 3.28Å; S1806-E1810 PolarHBondContact O-N 2.84Å; E1810-S1812 VanDerWaalsContact C-N 3.35Å; E1810-S1812 PolarHBondContact O-N 3Å; E1810-Q1813 PolarHBondContact O-N 3.18Å; E1810-R1814 WeakPolarHBondContact O-CB 3.43Å; E1810-R1814 PolarHBondContact O-N 3.2Å; E1810-K1843 IonicContact OE1-NZ 3.84Å; E1810-K1843 PolarHBondContact OE1-NZ 3.27Å; E1810-K1843 VanDerWaalsContact OE2-CD 3.29Å; E1810-K1843 WeakPolarHBondContact OE2-CD 3.5Å; E1810-K1843 WeakPolarHBondContact OE2-CE 3.25Å; E1810-K1843 IonicContact OE2-NZ 3.62Å; E1810-K1843 PolarHBondContact OE2-NZ 3.41Å
1811L83.7Confident77.1Confident5 Ų543.8 Ų43.83%0.02622%0.223CC..Hα-helixtrans-62-42.2173.9179.863.9000111.6S1807 L1808 V1809 R1814 L1815 A1840 F1842 W1844 L1908S1807-L1811 WeakPolarHBondContact O-CB 3.26Å; S1807-L1811 PolarHBondContact O-N 3.24Å; L1808-L1811 PolarHBondContact O-N 2.97Å; V1809-L1811 PolarHBondContact O-N 3.49Å; L1811-R1814 PolarHBondContact O-N 3.41Å; L1811-L1815 HydrophobicContact CD1-CD1 4.17Å; L1811-L1815 HydrophobicContact CD1-CG 4.21Å; L1811-L1815 HydrophobicContact CG-CD1 3.97Å; L1811-L1815 HydrophobicContact CG-CG 4.44Å; L1811-L1815 WeakPolarHBondContact O-CB 3.2Å; L1811-L1815 VanDerWaalsContact O-CG 3.32Å; L1811-L1815 WeakPolarHBondContact O-CG 3.41Å; L1811-L1815 PolarHBondContact O-N 3.11Å; L1811-A1840 HydrophobicContact CD1-CB 4.05Å; L1811-F1842 HydrophobicContact CD1-CD2 3.78Å; L1811-F1842 HydrophobicContact CD1-CE2 3.7Å; L1811-F1842 HydrophobicContact CD2-CD2 4.18Å; L1811-F1842 HydrophobicContact CD2-CE1 4.24Å; L1811-F1842 HydrophobicContact CD2-CE2 3.79Å; L1811-F1842 HydrophobicContact CD2-CZ 3.81Å; L1811-F1842 HydrophobicContact CG-CE2 4.42Å; L1811-W1844 HydrophobicContact CD2-CH2 3.57Å; L1811-W1844 HydrophobicContact CD2-CZ2 4.44Å; L1811-W1844 HydrophobicContact CD2-CZ3 4.2Å; L1811-L1908 HydrophobicContact CD2-CD2 3.88Å; L1811-L1908 HydrophobicContact CG-CD2 4.19Å
1812S83.9Confident76.7Confident0 Ų047.7 Ų47.70%025%0.246CC..Hα-helixtrans-63.9-44.3178.673.40000112.1L1808 V1809 E1810 R1814 L1815 M1816 L1827 T1929L1808-S1812 PolarHBondContact O-N 3.43Å; V1809-S1812 PolarHBondContact O-N 3.23Å; V1809-S1812 VanDerWaalsContact O-N 3.14Å; V1809-S1812 PolarHBondContact O-OG 3Å; E1810-S1812 VanDerWaalsContact C-N 3.35Å; E1810-S1812 PolarHBondContact O-N 3Å; S1812-R1814 PolarHBondContact O-N 3.34Å; S1812-L1815 PolarHBondContact O-N 2.69Å; S1812-M1816 WeakPolarHBondContact O-CB 3.12Å; S1812-M1816 PolarHBondContact O-N 3.39Å; S1812-L1827 WeakPolarHBondContact O-CD1 3.17Å; S1812-T1929 WeakPolarHBondContact CB-O 3.3Å; S1812-T1929 PolarHBondContact OG-O 3.12Å
1813Q82.6Confident75.7Confident91 Ų9154.3 Ų54.343%0.42527%0.269SS..Hα-helixtrans-61-44.6173.7-69.9174.5-1.600110.9V1809 E1810 L1815 M1816 E1817 G1932V1809-Q1813 WeakPolarHBondContact O-CG 3.49Å; V1809-Q1813 PolarHBondContact O-N 2.9Å; E1810-Q1813 PolarHBondContact O-N 3.18Å; Q1813-L1815 PolarHBondContact O-N 3.17Å; Q1813-M1816 CarbonylContact O-C 3.54Å; Q1813-M1816 WeakPolarHBondContact O-CB 3.46Å; Q1813-M1816 PolarHBondContact O-N 3.01Å; Q1813-M1816 VanDerWaalsContact O-N 3.15Å; Q1813-E1817 WeakPolarHBondContact O-CG 3.49Å; Q1813-E1817 PolarHBondContact O-N 3.11Å; Q1813-G1932 PolarHBondContact NE2-O 3.17Å
1814R81.3Confident74.6Confident101 Ų10159 Ų5938%0.38129%0.291SS..Hα-helixtrans-67.2-36.4-179.5-172.854.6179.5168.84.2113.2E1810 L1811 S1812 M1816 E1817 L1818E1810-R1814 WeakPolarHBondContact O-CB 3.43Å; E1810-R1814 PolarHBondContact O-N 3.2Å; L1811-R1814 PolarHBondContact O-N 3.41Å; S1812-R1814 PolarHBondContact O-N 3.34Å; R1814-M1816 VanDerWaalsContact C-N 3.31Å; R1814-E1817 WeakPolarHBondContact CD-OE2 3.36Å; R1814-E1817 IonicContact CZ-OE2 2.78Å; R1814-E1817 IonicContact NE-OE2 2.8Å; R1814-E1817 IonicContact NH1-OE2 3.72Å; R1814-E1817 PolarHBondContact NH1-OE2 2.94Å; R1814-E1817 PolarHBondContact O-N 3.47Å; R1814-L1818 HydrophobicContact CG-CD1 4.03Å; R1814-L1818 WeakPolarHBondContact O-CB 3.4Å; R1814-L1818 WeakPolarHBondContact O-CD1 3.4Å; R1814-L1818 WeakPolarHBondContact O-CG 3.17Å; R1814-L1818 PolarHBondContact O-N 3.02Å; R1814-L1818 VanDerWaalsContact O-N 3.15Å
1815L80Confident73.5Confident0 Ų066.4 Ų66.40%032%0.324CS..Hα-helixtrans-66.1-35.5172.6-71.4167.8000111.6L1811 S1812 Q1813 L1818 D1819 V1832 F1837 A1840 L1908L1811-L1815 HydrophobicContact CD1-CD1 4.17Å; L1811-L1815 HydrophobicContact CD1-CG 4.21Å; L1811-L1815 HydrophobicContact CG-CD1 3.97Å; L1811-L1815 HydrophobicContact CG-CG 4.44Å; L1811-L1815 WeakPolarHBondContact O-CB 3.2Å; L1811-L1815 VanDerWaalsContact O-CG 3.32Å; L1811-L1815 WeakPolarHBondContact O-CG 3.41Å; L1811-L1815 PolarHBondContact O-N 3.11Å; S1812-L1815 PolarHBondContact O-N 2.69Å; Q1813-L1815 PolarHBondContact O-N 3.17Å; L1815-L1818 PolarHBondContact O-N 3.13Å; L1815-D1819 PolarHBondContact O-N 2.9Å; L1815-V1832 HydrophobicContact CB-CG2 4.45Å; L1815-V1832 HydrophobicContact CD2-CB 4.45Å; L1815-V1832 HydrophobicContact CD2-CG1 4.2Å; L1815-V1832 HydrophobicContact CD2-CG2 4.06Å; L1815-F1837 HydrophobicContact CD2-CD2 3.87Å; L1815-F1837 HydrophobicContact CD2-CE2 4.16Å; L1815-A1840 HydrophobicContact CD2-CB 3.78Å; L1815-A1840 HydrophobicContact CG-CB 4.4Å; L1815-L1908 HydrophobicContact CD1-CD1 4.13Å; L1815-L1908 HydrophobicContact CD1-CD2 4.18Å; L1815-L1908 HydrophobicContact CD1-CG 4.28Å
1816M77.6Confident72.6Confident68 Ų6869.2 Ų69.234%0.33534%0.339SS..Hα-helixtrans-69.4-33.9174.7-169.3177.8-176.200112.9S1812 Q1813 R1814 H1824 L1827S1812-M1816 WeakPolarHBondContact O-CB 3.12Å; S1812-M1816 PolarHBondContact O-N 3.39Å; Q1813-M1816 CarbonylContact O-C 3.54Å; Q1813-M1816 WeakPolarHBondContact O-CB 3.46Å; Q1813-M1816 PolarHBondContact O-N 3.01Å; Q1813-M1816 VanDerWaalsContact O-N 3.15Å; R1814-M1816 VanDerWaalsContact C-N 3.31Å; M1816-H1824 WeakPolarHBondContact CE-O 3.37Å; M1816-L1827 HydrophobicContact CB-CD1 4.24Å; M1816-L1827 HydrophobicContact SD-CD1 4.36Å
1817E78.4Confident71.8Confident131 Ų13168 Ų6861%0.61233%0.331SS*.Hα-helixtrans-69.5-29.2171.5-71.5179.4160.500113.6Q1813 R1814Q1813-E1817 WeakPolarHBondContact O-CG 3.49Å; Q1813-E1817 PolarHBondContact O-N 3.11Å; R1814-E1817 WeakPolarHBondContact CD-OE2 3.36Å; R1814-E1817 IonicContact CZ-OE2 2.78Å; R1814-E1817 IonicContact NE-OE2 2.8Å; R1814-E1817 IonicContact NH1-OE2 3.72Å; R1814-E1817 PolarHBondContact NH1-OE2 2.94Å; R1814-E1817 PolarHBondContact O-N 3.47Å
1818L75.1Confident71Confident24 Ų2468.9 Ų68.913%0.12633%0.334CS..Hα-helixtrans-85-25.2-173.9-75165.6000113.1R1814 L1815 Q1820 Q1836 F1839 A1840R1814-L1818 HydrophobicContact CG-CD1 4.03Å; R1814-L1818 WeakPolarHBondContact O-CB 3.4Å; R1814-L1818 WeakPolarHBondContact O-CD1 3.4Å; R1814-L1818 WeakPolarHBondContact O-CG 3.17Å; R1814-L1818 PolarHBondContact O-N 3.02Å; R1814-L1818 VanDerWaalsContact O-N 3.15Å; L1815-L1818 PolarHBondContact O-N 3.13Å; L1818-Q1820 PolarHBondContact O-N 3.09Å; L1818-Q1836 HydrophobicContact CB-CB 4.5Å; L1818-Q1836 PolarHBondContact O-NE2 3.46Å; L1818-F1839 HydrophobicContact CD2-CB 4.3Å; L1818-A1840 HydrophobicContact CD1-CB 3.92Å
1819D72.5Confident70.4Confident22 Ų2274 Ų7412%0.11836%0.361CS..  trans-79102.1175.1-174.1-6.7000111.4L1815 S1821 V1830 K1831 V1832L1815-D1819 PolarHBondContact O-N 2.9Å; D1819-S1821 PolarHBondContact O-N 2.8Å; D1819-S1821 WeakPolarHBondContact OD1-CB 3.48Å; D1819-S1821 PolarHBondContact OD1-N 2.89Å; D1819-S1821 PolarHBondContact OD1-OG 3.44Å; D1819-V1830 HydrophobicContact CB-CG1 3.86Å; D1819-V1830 WeakPolarHBondContact OD2-CA 3.31Å; D1819-K1831 PolarHBondContact OD2-N 3.27Å; D1819-V1832 HydrophobicContact CB-CG2 4.37Å
1820Q64.7Low69.9Low180 Ų18074.6 Ų74.684%0.84137%0.365SS*.  trans-78.80.6-179.3-61.2-178-0.600113.8L1818L1818-Q1820 PolarHBondContact O-N 3.09Å
1821S58.8Low69.7Low84 Ų8476.8 Ų76.859%0.58737%0.373SS*.SBendtrans-86-27.2-163.570.90000116D1819D1819-S1821 PolarHBondContact O-N 2.8Å; D1819-S1821 WeakPolarHBondContact OD1-CB 3.48Å; D1819-S1821 PolarHBondContact OD1-N 2.89Å; D1819-S1821 PolarHBondContact OD1-OG 3.44Å
1822V53.4Low69.5Low85 Ų8576.5 Ų76.552%0.51537%0.372SS..  trans-147.3144.4-178.1-1500000114.4H1824V1822-H1824 WeakPolarHBondContact CG1-NE2 3.31Å; V1822-H1824 PolarHBondContact O-N 3.42Å
1823K50.8Low69.4Low210 Ų21078.3 Ų78.391%0.91338%0.383SS*.  trans-79.588.5166.7-66.1-177178.3-176.90110.7
1824H52.4Low69.3Low99 Ų9977.8 Ų77.846%0.45838%0.377SS..  trans-128.2148.1178.1-76-20.3000112.6M1816 V1822M1816-H1824 WeakPolarHBondContact CE-O 3.37Å; V1822-H1824 WeakPolarHBondContact CG1-NE2 3.31Å; V1822-H1824 PolarHBondContact O-N 3.42Å
1825E56.9Low69.1Low177 Ų17775.8 Ų75.883%0.82738%0.382SS*.SBendtrans-92.8-13.4179.3-60.4-179.3153.800112.8
1826N61.2Low69.1Low59 Ų5977.7 Ų77.732%0.31639%0.391SS..SBendtrans-119.3138.4-173.1-68.2-21.8000111.8L1828N1826-L1828 VanDerWaalsContact C-N 3.27Å; N1826-L1828 PolarHBondContact O-N 2.93Å
1827L64.4Low69.3Low3 Ų374.5 Ų74.52%0.01638%0.375CS..G310 helixtrans-77.5-4.4-169.7-149.5121.6000115.3S1812 M1816 N1829 V1830 L1908 L1930S1812-L1827 WeakPolarHBondContact O-CD1 3.17Å; M1816-L1827 HydrophobicContact CB-CD1 4.24Å; M1816-L1827 HydrophobicContact SD-CD1 4.36Å; L1827-N1829 VanDerWaalsContact C-N 3.3Å; L1827-N1829 PolarHBondContact O-N 2.91Å; L1827-V1830 HydrophobicContact CG-CG2 4.23Å; L1827-V1830 PolarHBondContact O-N 3.48Å; L1827-L1908 HydrophobicContact CD2-CD1 3.42Å; L1827-L1908 VanDerWaalsContact CD2-CD1 3.42Å; L1827-L1930 WeakPolarHBondContact CB-O 3.4Å; L1827-L1930 HydrophobicContact CD2-CD2 4.07Å
1828L65.8Low69.3Low28 Ų2873.5 Ų73.515%0.14737%0.371CS..G310 helixtrans-63.5-28.2-170.3-68.7172.9000114.9N1826 S1905 L1930 E1968 I1969 K1972N1826-L1828 VanDerWaalsContact C-N 3.27Å; N1826-L1828 PolarHBondContact O-N 2.93Å; L1828-S1905 PolarHBondContact O-OG 3.43Å; L1828-L1930 HydrophobicContact CD2-CD1 4.21Å; L1828-E1968 HydrophobicContact CD1-CB 3.7Å; L1828-I1969 HydrophobicContact CD1-CG1 3.83Å; L1828-I1969 HydrophobicContact CD2-CG1 4.28Å; L1828-I1969 HydrophobicContact CG-CG1 4.01Å; L1828-K1972 HydrophobicContact CD2-CB 3.78Å; L1828-K1972 HydrophobicContact CD2-CG 3.71Å
1829N67.8Low69.3Low108 Ų10879.5 Ų79.558%0.57840%0.396SS*.G310 helixtrans-107.80.8-173.4-72.9-30.5000114.3L1827 K1831L1827-N1829 VanDerWaalsContact C-N 3.3Å; L1827-N1829 PolarHBondContact O-N 2.91Å; N1829-K1831 PolarHBondContact O-N 2.95Å
1830V74.7Confident69.4Low13 Ų1378.6 Ų78.68%0.07939%0.391CS..  trans-66.4126.1-174.7175.60000110.9D1819 L1827 V1832 C1904D1819-V1830 HydrophobicContact CB-CG1 3.86Å; D1819-V1830 WeakPolarHBondContact OD2-CA 3.31Å; L1827-V1830 HydrophobicContact CG-CG2 4.23Å; L1827-V1830 PolarHBondContact O-N 3.48Å; V1830-V1832 HydrophobicContact CG1-CG2 4.08Å; V1830-C1904 HydrophobicContact CB-CB 4.23Å; V1830-C1904 HydrophobicContact CG1-CB 4.1Å; V1830-C1904 PolarHBondContact O-N 3.5Å
1831K77.6Confident69.6Low124 Ų12474.2 Ų74.254%0.53938%0.38SS..EExtended strand (participates in β ladder)trans-128.3108.4-176.7-72.4176.9-170.7169.10111.1D1819 N1829 V1902D1819-K1831 PolarHBondContact OD2-N 3.27Å; N1829-K1831 PolarHBondContact O-N 2.95Å; K1831-V1902 WeakPolarHBondContact CA-O 3.46Å
1832V79.4Confident70.4Confident0 Ų070.8 Ų70.80%036%0.355CS..EExtended strand (participates in β ladder)trans-102129.3-176176.20000109.3L1815 D1819 V1830 Q1836 F1837 V1902 C1904L1815-V1832 HydrophobicContact CB-CG2 4.45Å; L1815-V1832 HydrophobicContact CD2-CB 4.45Å; L1815-V1832 HydrophobicContact CD2-CG1 4.2Å; L1815-V1832 HydrophobicContact CD2-CG2 4.06Å; D1819-V1832 HydrophobicContact CB-CG2 4.37Å; V1830-V1832 HydrophobicContact CG1-CG2 4.08Å; V1832-Q1836 HydrophobicContact CG1-CB 3.55Å; V1832-F1837 HydrophobicContact CG1-CB 3.8Å; V1832-F1837 HydrophobicContact CG1-CD2 4.33Å; V1832-F1837 VanDerWaalsContact CG1-N 3.33Å; V1832-V1902 PolarHBondContact N-O 3.44Å; V1832-V1902 PolarHBondContact O-N 3.06Å; V1832-C1904 WeakPolarHBondContact CG2-SG 3.27Å
1833T82.6Confident71.3Confident37 Ų3773 Ų7323%0.22736%0.358CS..EExtended strand (participates in β ladder)trans-72.9160.2172.264.30000110.9A1835 Q1836 F1837 E1900 T1901T1833-A1835 VanDerWaalsContact C-N 3.25Å; T1833-A1835 PolarHBondContact O-N 3.43Å; T1833-Q1836 VanDerWaalsContact CB-OE1 3.28Å; T1833-Q1836 VanDerWaalsContact CG2-OE1 3.29Å; T1833-Q1836 PolarHBondContact O-N 3.11Å; T1833-Q1836 VanDerWaalsContact O-N 3.14Å; T1833-Q1836 WeakPolarHBondContact OG1-CG 3.49Å; T1833-Q1836 PolarHBondContact OG1-N 3.33Å; T1833-Q1836 PolarHBondContact OG1-OE1 3.17Å; T1833-F1837 WeakPolarHBondContact O-CB 3.28Å; T1833-F1837 PolarHBondContact O-N 2.8Å; T1833-E1900 WeakPolarHBondContact CA-O 3.4Å; T1833-T1901 HydrophobicContact CG2-CG2 3.84Å
1834R80.5Confident72.5Confident80 Ų8063.3 Ų63.330%0.30232%0.316SS..Hα-helixtrans-52.9-40.9178.8-164.1167.1-173.6166.2-6.1113.9F1837 Q1838 D1857 F1860 E1900R1834-F1837 PolarHBondContact O-N 3.26Å; R1834-Q1838 WeakPolarHBondContact O-CG 3.42Å; R1834-Q1838 PolarHBondContact O-N 3.02Å; R1834-Q1838 VanDerWaalsContact O-N 3.1Å; R1834-D1857 IonicContact CZ-OD1 2.69Å; R1834-D1857 IonicContact CZ-OD2 2.64Å; R1834-D1857 IonicContact NE-OD1 2.66Å; R1834-D1857 PolarHBondContact NE-OD1 2.96Å; R1834-D1857 IonicContact NE-OD2 3.75Å; R1834-D1857 VanDerWaalsContact NH2-CG 3.29Å; R1834-D1857 IonicContact NH2-OD1 3.85Å; R1834-D1857 PolarHBondContact NH2-OD1 2.84Å; R1834-D1857 VanDerWaalsContact NH2-OD1 3.11Å; R1834-D1857 IonicContact NH2-OD2 3.87Å; R1834-D1857 PolarHBondContact NH2-OD2 3.17Å; R1834-F1860 HydrophobicContact CB-CD1 4.08Å; R1834-F1860 HydrophobicContact CB-CE1 3.44Å; R1834-F1860 VanDerWaalsContact CB-CE1 3.44Å; R1834-F1860 HydrophobicContact CB-CE2 4.3Å; R1834-F1860 HydrophobicContact CB-CZ 3.58Å; R1834-F1860 HydrophobicContact CG-CD1 3.65Å; R1834-F1860 HydrophobicContact CG-CE1 3.54Å; R1834-F1860 HydrophobicContact CG-CG 4.3Å; R1834-F1860 HydrophobicContact CG-CZ 4.11Å; R1834-F1860 VanDerWaalsContact N-CZ 3.3Å; R1834-E1900 IonicContact CZ-OE2 3.92Å; R1834-E1900 PolarHBondContact N-O 2.91Å; R1834-E1900 IonicContact NH1-OE2 2.57Å; R1834-E1900 PolarHBondContact NH1-OE2 3.04Å
1835A77Confident73.6Confident59 Ų5959.6 Ų59.649%0.48830%0.298SS..Hα-helixtrans-68.1-45.6178.400000112.1T1833 F1837 Q1838 F1839T1833-A1835 VanDerWaalsContact C-N 3.25Å; T1833-A1835 PolarHBondContact O-N 3.43Å; A1835-F1837 VanDerWaalsContact C-N 3.3Å; A1835-F1837 PolarHBondContact O-N 2.94Å; A1835-Q1838 PolarHBondContact O-N 3.17Å; A1835-F1839 WeakPolarHBondContact O-CD2 3.27Å
1836Q80.1Confident74.1Confident41 Ų4153 Ų5319%0.19227%0.271CS..Hα-helixtrans-61.7-39.7174-71.6159.2-55.100111.2L1818 V1832 T1833 Q1838 F1839L1818-Q1836 HydrophobicContact CB-CB 4.5Å; L1818-Q1836 PolarHBondContact O-NE2 3.46Å; V1832-Q1836 HydrophobicContact CG1-CB 3.55Å; T1833-Q1836 VanDerWaalsContact CB-OE1 3.28Å; T1833-Q1836 VanDerWaalsContact CG2-OE1 3.29Å; T1833-Q1836 PolarHBondContact O-N 3.11Å; T1833-Q1836 VanDerWaalsContact O-N 3.14Å; T1833-Q1836 WeakPolarHBondContact OG1-CG 3.49Å; T1833-Q1836 PolarHBondContact OG1-N 3.33Å; T1833-Q1836 PolarHBondContact OG1-OE1 3.17Å; Q1836-Q1838 VanDerWaalsContact C-N 3.34Å; Q1836-Q1838 PolarHBondContact O-N 3.27Å; Q1836-F1839 PolarHBondContact O-N 2.93Å; Q1836-F1839 VanDerWaalsContact O-N 3.07Å
1837F80.9Confident74.3Confident1 Ų157.5 Ų57.50%0.00430%0.3CS..Hα-helixtrans-63.1-39.8-179.8-170.2-102.2000112L1815 V1832 T1833 R1834 A1835 F1839 A1840 F1842 H1856 F1860 L1907L1815-F1837 HydrophobicContact CD2-CD2 3.87Å; L1815-F1837 HydrophobicContact CD2-CE2 4.16Å; V1832-F1837 HydrophobicContact CG1-CB 3.8Å; V1832-F1837 HydrophobicContact CG1-CD2 4.33Å; V1832-F1837 VanDerWaalsContact CG1-N 3.33Å; T1833-F1837 WeakPolarHBondContact O-CB 3.28Å; T1833-F1837 PolarHBondContact O-N 2.8Å; R1834-F1837 PolarHBondContact O-N 3.26Å; A1835-F1837 VanDerWaalsContact C-N 3.3Å; A1835-F1837 PolarHBondContact O-N 2.94Å; F1837-F1839 PolarHBondContact O-N 2.92Å; F1837-F1839 VanDerWaalsContact O-N 3.1Å; F1837-A1840 WeakPolarHBondContact O-CB 3.45Å; F1837-A1840 PolarHBondContact O-N 3.1Å; F1837-F1842 HydrophobicContact CE1-CE2 4.4Å; F1837-F1842 HydrophobicContact CE2-CE2 4.14Å; F1837-F1842 HydrophobicContact CE2-CZ 4.33Å; F1837-F1842 AromaticContact CZ-CE2 3.7Å; F1837-F1842 HydrophobicContact CZ-CE2 3.7Å; F1837-F1842 AromaticContact CZ-CZ 3.69Å; F1837-F1842 HydrophobicContact CZ-CZ 3.69Å; F1837-H1856 AromaticContact CD1-CE1 3.82Å; F1837-H1856 AromaticContact CD1-NE2 3.81Å; F1837-H1856 AromaticContact CE1-CD2 3.72Å; F1837-H1856 AromaticContact CE1-CE1 3.78Å; F1837-H1856 AromaticContact CE1-NE2 3.34Å; F1837-H1856 VanDerWaalsContact CE1-NE2 3.34Å; F1837-H1856 WeakPolarHBondContact CE1-NE2 3.34Å; F1837-H1856 AromaticContact CZ-NE2 3.8Å; F1837-H1856 PolarHBondContact O-CE1 3.25Å; F1837-H1856 VanDerWaalsContact O-CE1 3.27Å; F1837-F1860 HydrophobicContact CB-CD2 3.65Å; F1837-F1860 HydrophobicContact CB-CE2 3.85Å; F1837-F1860 HydrophobicContact CD1-CB 3.73Å; F1837-F1860 AromaticContact CD1-CD2 3.54Å; F1837-F1860 HydrophobicContact CD1-CD2 3.54Å; F1837-F1860 HydrophobicContact CD1-CG 4.01Å; F1837-F1860 HydrophobicContact CD2-CD2 4.12Å; F1837-F1860 HydrophobicContact CE1-CB 3.8Å; F1837-F1860 HydrophobicContact CE1-CD2 4.17Å; F1837-F1860 HydrophobicContact CE1-CG 4.48Å; F1837-F1860 AromaticContact CG-CD2 3.49Å; F1837-F1860 HydrophobicContact CG-CD2 3.49Å; F1837-F1860 VanDerWaalsContact CG-CD2 3.49Å; F1837-F1860 HydrophobicContact CG-CE2 4.13Å; F1837-F1860 HydrophobicContact CG-CG 4.39Å; F1837-L1907 HydrophobicContact CD2-CD2 4.45Å; F1837-L1907 HydrophobicContact CE2-CD2 3.44Å; F1837-L1907 VanDerWaalsContact CE2-CD2 3.44Å; F1837-L1907 HydrophobicContact CZ-CD2 3.84Å
1838Q77.9Confident74.4Confident109 Ų10960.3 Ų60.351%0.50933%0.33SS..Hα-helixtrans-61.6-16175.1-73.2172.9-4.900113.7R1834 A1835 Q1836 D1857R1834-Q1838 WeakPolarHBondContact O-CG 3.42Å; R1834-Q1838 PolarHBondContact O-N 3.02Å; R1834-Q1838 VanDerWaalsContact O-N 3.1Å; A1835-Q1838 PolarHBondContact O-N 3.17Å; Q1836-Q1838 VanDerWaalsContact C-N 3.34Å; Q1836-Q1838 PolarHBondContact O-N 3.27Å; Q1838-D1857 PolarHBondContact NE2-OD1 2.92Å; Q1838-D1857 VanDerWaalsContact NE2-OD1 3.1Å
1839F76.1Confident74.7Confident151 Ų15162.1 Ų62.166%0.66234%0.342SS*.THydrogen-bonded Turntrans-96.12.8171.6-67.7-70.2000114.7L1818 A1835 Q1836 F1837L1818-F1839 HydrophobicContact CD2-CB 4.3Å; A1835-F1839 WeakPolarHBondContact O-CD2 3.27Å; Q1836-F1839 PolarHBondContact O-N 2.93Å; Q1836-F1839 VanDerWaalsContact O-N 3.07Å; F1837-F1839 PolarHBondContact O-N 2.92Å; F1837-F1839 VanDerWaalsContact O-N 3.1Å
1840A73.4Confident74.9Confident2 Ų264.8 Ų64.82%0.01735%0.348CS..SBendtrans-86.6104.6170.400000109.6L1811 L1815 L1818 F1837 F1842L1811-A1840 HydrophobicContact CD1-CB 4.05Å; L1815-A1840 HydrophobicContact CD2-CB 3.78Å; L1815-A1840 HydrophobicContact CG-CB 4.4Å; L1818-A1840 HydrophobicContact CD1-CB 3.92Å; F1837-A1840 WeakPolarHBondContact O-CB 3.45Å; F1837-A1840 PolarHBondContact O-N 3.1Å; A1840-F1842 PolarHBondContact O-N 3.19Å
1841S70.5Confident74.8Confident88 Ų8868.1 Ų68.162%0.61536%0.363SS*.  trans-76.2106.1-177.955.30000112K1843S1841-K1843 PolarHBondContact O-N 2.9Å; S1841-K1843 VanDerWaalsContact O-N 3.08Å
1842F75.1Confident74.6Confident12 Ų1263 Ų635%0.05334%0.34CS..  trans-68.399.6170.7-81.2-135.4000109.2L1811 F1837 A1840 W1844 F1845 H1856 I1859 I1911L1811-F1842 HydrophobicContact CD1-CD2 3.78Å; L1811-F1842 HydrophobicContact CD1-CE2 3.7Å; L1811-F1842 HydrophobicContact CD2-CD2 4.18Å; L1811-F1842 HydrophobicContact CD2-CE1 4.24Å; L1811-F1842 HydrophobicContact CD2-CE2 3.79Å; L1811-F1842 HydrophobicContact CD2-CZ 3.81Å; L1811-F1842 HydrophobicContact CG-CE2 4.42Å; F1837-F1842 HydrophobicContact CE1-CE2 4.4Å; F1837-F1842 HydrophobicContact CE2-CE2 4.14Å; F1837-F1842 HydrophobicContact CE2-CZ 4.33Å; F1837-F1842 AromaticContact CZ-CE2 3.7Å; F1837-F1842 HydrophobicContact CZ-CE2 3.7Å; F1837-F1842 AromaticContact CZ-CZ 3.69Å; F1837-F1842 HydrophobicContact CZ-CZ 3.69Å; A1840-F1842 PolarHBondContact O-N 3.19Å; F1842-W1844 AromaticContact CD1-CE2 3.58Å; F1842-W1844 AromaticContact CD1-CH2 3.95Å; F1842-W1844 HydrophobicContact CD1-CH2 3.95Å; F1842-W1844 AromaticContact CD1-CZ2 3.24Å; F1842-W1844 HydrophobicContact CD1-CZ2 3.24Å; F1842-W1844 AromaticContact CD1-NE1 3.85Å; F1842-W1844 HydrophobicContact CE1-CH2 4.18Å; F1842-W1844 AromaticContact CE1-CZ2 3.55Å; F1842-W1844 HydrophobicContact CE1-CZ2 3.55Å; F1842-W1844 HydrophobicContact CG-CH2 4.48Å; F1842-W1844 HydrophobicContact CG-CZ2 4.11Å; F1842-W1844 PolarHBondContact O-N 3.22Å; F1842-F1845 HydrophobicContact CB-CB 4.4Å; F1842-F1845 HydrophobicContact CB-CD2 3.54Å; F1842-F1845 HydrophobicContact CB-CE2 3.95Å; F1842-F1845 HydrophobicContact CB-CG 4Å; F1842-F1845 HydrophobicContact CD1-CD2 4.02Å; F1842-F1845 AromaticContact CD1-CE2 3.49Å; F1842-F1845 HydrophobicContact CD1-CE2 3.49Å; F1842-F1845 VanDerWaalsContact CD1-CE2 3.49Å; F1842-F1845 AromaticContact CD1-CZ 3.85Å; F1842-F1845 HydrophobicContact CD1-CZ 3.85Å; F1842-F1845 HydrophobicContact CE1-CE2 4.26Å; F1842-F1845 HydrophobicContact CE1-CZ 4.48Å; F1842-F1845 HydrophobicContact CG-CD2 4.04Å; F1842-F1845 AromaticContact CG-CE2 3.94Å; F1842-F1845 HydrophobicContact CG-CE2 3.94Å; F1842-F1845 PolarHBondContact O-N 2.99Å; F1842-H1856 AromaticContact CD2-CD2 3.51Å; F1842-H1856 AromaticContact CD2-NE2 3.27Å; F1842-H1856 VanDerWaalsContact CD2-NE2 3.27Å; F1842-H1856 WeakPolarHBondContact CD2-NE2 3.43Å; F1842-H1856 AromaticContact CE2-CD2 3.53Å; F1842-H1856 AromaticContact CE2-NE2 3.22Å; F1842-H1856 WeakPolarHBondContact CE2-NE2 3.37Å; F1842-H1856 AromaticContact CG-CD2 3.91Å; F1842-H1856 AromaticContact CZ-CD2 3.95Å; F1842-I1859 HydrophobicContact CE1-CD1 4.49Å; F1842-I1911 HydrophobicContact CE1-CD1 3.98Å; F1842-I1911 HydrophobicContact CZ-CD1 4.03Å
1843K73.1Confident74.2Confident131 Ų13168.5 Ų68.557%0.5737%0.366SS*.THydrogen-bonded Turntrans-60.3-19.5-174-77.1-162.1-174.7174.60115.2E1810 S1841 F1845E1810-K1843 IonicContact OE1-NZ 3.84Å; E1810-K1843 PolarHBondContact OE1-NZ 3.27Å; E1810-K1843 VanDerWaalsContact OE2-CD 3.29Å; E1810-K1843 WeakPolarHBondContact OE2-CD 3.5Å; E1810-K1843 WeakPolarHBondContact OE2-CE 3.25Å; E1810-K1843 IonicContact OE2-NZ 3.62Å; E1810-K1843 PolarHBondContact OE2-NZ 3.41Å; S1841-K1843 PolarHBondContact O-N 2.9Å; S1841-K1843 VanDerWaalsContact O-N 3.08Å; K1843-F1845 VanDerWaalsContact C-N 3.33Å
1844W75.8Confident73.9Confident8 Ų871.4 Ų71.43%0.0338%0.377CS..THydrogen-bonded Turntrans-88.97.5176.365.782.6000113.6T1801 I1803 L1808 L1811 F1842 I1911T1801-W1844 WeakPolarHBondContact CA-O 3.06Å; T1801-W1844 VanDerWaalsContact CB-O 3.27Å; T1801-W1844 WeakPolarHBondContact CB-O 3.42Å; T1801-W1844 VanDerWaalsContact CG2-O 3.3Å; T1801-W1844 WeakPolarHBondContact CG2-O 3.49Å; I1803-W1844 HydrophobicContact CD1-CD2 4.33Å; I1803-W1844 HydrophobicContact CD1-CZ2 3.93Å; I1803-W1844 HydrophobicContact CG1-CD2 3.85Å; I1803-W1844 HydrophobicContact CG1-CE3 4.5Å; I1803-W1844 HydrophobicContact CG1-CG 3.9Å; I1803-W1844 HydrophobicContact CG1-CZ2 4.32Å; I1803-W1844 HydrophobicContact CG2-CE3 4.4Å; I1803-W1844 HydrophobicContact CG2-CH2 4.38Å; I1803-W1844 HydrophobicContact CG2-CZ3 4.32Å; L1808-W1844 HydrophobicContact CD2-CH2 3.82Å; L1808-W1844 HydrophobicContact CD2-CZ3 4.07Å; L1811-W1844 HydrophobicContact CD2-CH2 3.57Å; L1811-W1844 HydrophobicContact CD2-CZ2 4.44Å; L1811-W1844 HydrophobicContact CD2-CZ3 4.2Å; F1842-W1844 AromaticContact CD1-CE2 3.58Å; F1842-W1844 AromaticContact CD1-CH2 3.95Å; F1842-W1844 HydrophobicContact CD1-CH2 3.95Å; F1842-W1844 AromaticContact CD1-CZ2 3.24Å; F1842-W1844 HydrophobicContact CD1-CZ2 3.24Å; F1842-W1844 AromaticContact CD1-NE1 3.85Å; F1842-W1844 HydrophobicContact CE1-CH2 4.18Å; F1842-W1844 AromaticContact CE1-CZ2 3.55Å; F1842-W1844 HydrophobicContact CE1-CZ2 3.55Å; F1842-W1844 HydrophobicContact CG-CH2 4.48Å; F1842-W1844 HydrophobicContact CG-CZ2 4.11Å; F1842-W1844 PolarHBondContact O-N 3.22Å; W1844-I1911 HydrophobicContact CH2-CG2 3.98Å; W1844-I1911 HydrophobicContact CZ2-CG2 3.82Å
1845F74.2Confident73.7Confident21 Ų2167.7 Ų67.79%0.09236%0.363CS..SBendtrans-104.8131.3170.3-68.5-18000110.8I1795 F1842 K1843 V1847 Y1852 L1855 H1856 I1859I1795-F1845 HydrophobicContact CD1-CE1 4.35Å; I1795-F1845 HydrophobicContact CG1-CE1 4.23Å; F1842-F1845 HydrophobicContact CB-CB 4.4Å; F1842-F1845 HydrophobicContact CB-CD2 3.54Å; F1842-F1845 HydrophobicContact CB-CE2 3.95Å; F1842-F1845 HydrophobicContact CB-CG 4Å; F1842-F1845 HydrophobicContact CD1-CD2 4.02Å; F1842-F1845 AromaticContact CD1-CE2 3.49Å; F1842-F1845 HydrophobicContact CD1-CE2 3.49Å; F1842-F1845 VanDerWaalsContact CD1-CE2 3.49Å; F1842-F1845 AromaticContact CD1-CZ 3.85Å; F1842-F1845 HydrophobicContact CD1-CZ 3.85Å; F1842-F1845 HydrophobicContact CE1-CE2 4.26Å; F1842-F1845 HydrophobicContact CE1-CZ 4.48Å; F1842-F1845 HydrophobicContact CG-CD2 4.04Å; F1842-F1845 AromaticContact CG-CE2 3.94Å; F1842-F1845 HydrophobicContact CG-CE2 3.94Å; F1842-F1845 PolarHBondContact O-N 2.99Å; K1843-F1845 VanDerWaalsContact C-N 3.33Å; F1845-V1847 PolarHBondContact O-N 3.35Å; F1845-Y1852 HydrophobicContact CB-CD1 4.1Å; F1845-Y1852 HydrophobicContact CB-CG 4.38Å; F1845-Y1852 AromaticContact CD1-CD1 3.55Å; F1845-Y1852 HydrophobicContact CD1-CD1 3.55Å; F1845-Y1852 HydrophobicContact CD1-CE1 4.11Å; F1845-Y1852 HydrophobicContact CE1-CD1 4.09Å; F1845-Y1852 AromaticContact CG-CD1 3.86Å; F1845-Y1852 HydrophobicContact CG-CD1 3.86Å; F1845-Y1852 HydrophobicContact CG-CG 4.46Å; F1845-L1855 HydrophobicContact CE1-CD2 4.27Å; F1845-L1855 HydrophobicContact CE2-CD2 4.3Å; F1845-L1855 HydrophobicContact CZ-CD2 3.65Å; F1845-H1856 HydrophobicContact CD2-CB 4.43Å; F1845-H1856 HydrophobicContact CE2-CB 4.11Å; F1845-I1859 HydrophobicContact CZ-CD1 4.02Å
1846P67.6Low73.7Confident38 Ų3865.9 Ų65.925%0.24735%0.345CS..  trans-61.9124.3176-23.234.2000112.3G1848 V1849 Y1852P1846-G1848 PolarHBondContact O-N 3.39Å; P1846-V1849 HydrophobicContact CB-CG2 4.19Å; P1846-Y1852 HydrophobicContact CG-CD2 4.45Å; P1846-Y1852 HydrophobicContact CG-CE2 4.11Å
1847V66.2Low73.7Confident153 Ų15365.5 Ų65.593%0.92734%0.344SS*.THydrogen-bonded Turntrans-67.3130.5178.6-1780000110.2F1845F1845-V1847 PolarHBondContact O-N 3.35Å
1848G66.9Low73.8Confident63 Ų6365.4 Ų65.465%0.64934%0.343SS*.THydrogen-bonded Turntrans95.23.5175.700000116P1846P1846-G1848 PolarHBondContact O-N 3.39Å
1849V71Confident74Confident66 Ų6660.5 Ų60.540%0.432%0.321SS..  trans-105.2104.1179-177.10000110.8P1846 H1851 Y1852P1846-V1849 HydrophobicContact CB-CG2 4.19Å; V1849-H1851 HydrophobicContact CG1-CB 4.33Å; V1849-H1851 PolarHBondContact O-N 2.81Å; V1849-Y1852 HydrophobicContact CB-CD2 3.89Å; V1849-Y1852 HydrophobicContact CG1-CD2 3.74Å; V1849-Y1852 HydrophobicContact CG1-CE2 4.12Å; V1849-Y1852 PolarHBondContact O-N 3.07Å
1850K71.7Confident74.3Confident163 Ų16353.3 Ų53.371%0.70929%0.289SS*.Hα-helixtrans-46.5-34.9-176.8-69.6-177.1177.7177.90115.2Y1852 E1853 E1854K1850-Y1852 VanDerWaalsContact C-N 3.28Å; K1850-Y1852 PolarHBondContact O-N 2.91Å; K1850-E1853 WeakPolarHBondContact O-CB 3.32Å; K1850-E1853 PolarHBondContact O-N 3.23Å; K1850-E1854 PolarHBondContact O-N 3.27Å
1851H74.2Confident74.7Confident84 Ų8454.5 Ų54.539%0.38930%0.297SS..Hα-helixtrans-58.2-40177.8-17674.6000112.6V1849 E1854 L1855V1849-H1851 HydrophobicContact CG1-CB 4.33Å; V1849-H1851 PolarHBondContact O-N 2.81Å; H1851-E1854 PolarHBondContact O-N 2.88Å; H1851-L1855 VanDerWaalsContact O-CB 3.3Å; H1851-L1855 WeakPolarHBondContact O-CB 3.43Å; H1851-L1855 PolarHBondContact O-N 3.15Å
1852Y71.4Confident75.2Confident15 Ų1550.5 Ų50.56%0.05927%0.269CS..Hα-helixtrans-76.1-28.5178.5-69-90.5000112.3A1794 F1845 P1846 V1849 K1850 L1855 H1856A1794-Y1852 PolarHBondContact O-OH 2.97Å; F1845-Y1852 HydrophobicContact CB-CD1 4.1Å; F1845-Y1852 HydrophobicContact CB-CG 4.38Å; F1845-Y1852 AromaticContact CD1-CD1 3.55Å; F1845-Y1852 HydrophobicContact CD1-CD1 3.55Å; F1845-Y1852 HydrophobicContact CD1-CE1 4.11Å; F1845-Y1852 HydrophobicContact CE1-CD1 4.09Å; F1845-Y1852 AromaticContact CG-CD1 3.86Å; F1845-Y1852 HydrophobicContact CG-CD1 3.86Å; F1845-Y1852 HydrophobicContact CG-CG 4.46Å; P1846-Y1852 HydrophobicContact CG-CD2 4.45Å; P1846-Y1852 HydrophobicContact CG-CE2 4.11Å; V1849-Y1852 HydrophobicContact CB-CD2 3.89Å; V1849-Y1852 HydrophobicContact CG1-CD2 3.74Å; V1849-Y1852 HydrophobicContact CG1-CE2 4.12Å; V1849-Y1852 PolarHBondContact O-N 3.07Å; K1850-Y1852 VanDerWaalsContact C-N 3.28Å; K1850-Y1852 PolarHBondContact O-N 2.91Å; Y1852-L1855 PolarHBondContact O-N 2.74Å; Y1852-H1856 VanDerWaalsContact O-CB 3.23Å; Y1852-H1856 WeakPolarHBondContact O-CB 3.19Å; Y1852-H1856 PolarHBondContact O-N 3.39Å
1853E72.9Confident75.2Confident116 Ų11650.4 Ų50.454%0.54227%0.268SS..Hα-helixtrans-66.1-43.9171-58.4175.1160.600110.9K1850 H1856 D1857K1850-E1853 WeakPolarHBondContact O-CB 3.32Å; K1850-E1853 PolarHBondContact O-N 3.23Å; E1853-H1856 PolarHBondContact O-N 3.5Å; E1853-D1857 PolarHBondContact O-N 3.41Å; E1853-D1857 VanDerWaalsContact O-N 3.07Å
1854E75.5Confident75.3Confident98 Ų9845.5 Ų45.546%0.45825%0.25SC..Hα-helixtrans-65.4-35.4173.1-77.1-158.9-127.400113.4L1688 K1692 K1850 H1851 F1858L1688-E1854 HydrophobicContact CD1-CB 4.09Å; L1688-E1854 HydrophobicContact CD2-CB 4.17Å; K1692-E1854 IonicContact NZ-OE2 2.73Å; K1692-E1854 PolarHBondContact NZ-OE2 2.83Å; K1850-E1854 PolarHBondContact O-N 3.27Å; H1851-E1854 PolarHBondContact O-N 2.88Å; E1854-F1858 VanDerWaalsContact O-CB 3.28Å; E1854-F1858 WeakPolarHBondContact O-CB 3.34Å; E1854-F1858 PolarHBondContact O-N 2.99Å
1855L76.1Confident74.7Confident3 Ų350.9 Ų50.92%0.01627%0.273CS..Hα-helixtrans-71.2-36.9176.2-165.7155.4000110.9L1688 A1794 I1795 F1845 H1851 Y1852 F1858 I1859L1688-L1855 HydrophobicContact CD1-CB 4.14Å; A1794-L1855 HydrophobicContact CB-CD1 4.13Å; I1795-L1855 HydrophobicContact CD1-CD2 4.29Å; I1795-L1855 HydrophobicContact CG1-CD1 4.27Å; I1795-L1855 HydrophobicContact CG1-CD2 4.38Å; F1845-L1855 HydrophobicContact CE1-CD2 4.27Å; F1845-L1855 HydrophobicContact CE2-CD2 4.3Å; F1845-L1855 HydrophobicContact CZ-CD2 3.65Å; H1851-L1855 VanDerWaalsContact O-CB 3.3Å; H1851-L1855 WeakPolarHBondContact O-CB 3.43Å; H1851-L1855 PolarHBondContact O-N 3.15Å; Y1852-L1855 PolarHBondContact O-N 2.74Å; L1855-F1858 WeakPolarHBondContact O-CB 3.39Å; L1855-F1858 PolarHBondContact O-N 3.04Å; L1855-I1859 HydrophobicContact CD2-CD1 3.58Å; L1855-I1859 HydrophobicContact CD2-CG1 4.11Å; L1855-I1859 WeakPolarHBondContact O-CG1 3.44Å; L1855-I1859 PolarHBondContact O-N 3.3Å
1856H77.4Confident73.8Confident21 Ų2155 Ų5510%0.09729%0.291CS..Hα-helixtrans-64.3-48.1174.9-177.1-120.5000112.4F1837 F1842 F1845 Y1852 E1853 F1858 I1859 F1860F1837-H1856 AromaticContact CD1-CE1 3.82Å; F1837-H1856 AromaticContact CD1-NE2 3.81Å; F1837-H1856 AromaticContact CE1-CD2 3.72Å; F1837-H1856 AromaticContact CE1-CE1 3.78Å; F1837-H1856 AromaticContact CE1-NE2 3.34Å; F1837-H1856 VanDerWaalsContact CE1-NE2 3.34Å; F1837-H1856 WeakPolarHBondContact CE1-NE2 3.34Å; F1837-H1856 AromaticContact CZ-NE2 3.8Å; F1837-H1856 PolarHBondContact O-CE1 3.25Å; F1837-H1856 VanDerWaalsContact O-CE1 3.27Å; F1842-H1856 AromaticContact CD2-CD2 3.51Å; F1842-H1856 AromaticContact CD2-NE2 3.27Å; F1842-H1856 VanDerWaalsContact CD2-NE2 3.27Å; F1842-H1856 WeakPolarHBondContact CD2-NE2 3.43Å; F1842-H1856 AromaticContact CE2-CD2 3.53Å; F1842-H1856 AromaticContact CE2-NE2 3.22Å; F1842-H1856 WeakPolarHBondContact CE2-NE2 3.37Å; F1842-H1856 AromaticContact CG-CD2 3.91Å; F1842-H1856 AromaticContact CZ-CD2 3.95Å; F1845-H1856 HydrophobicContact CD2-CB 4.43Å; F1845-H1856 HydrophobicContact CE2-CB 4.11Å; Y1852-H1856 VanDerWaalsContact O-CB 3.23Å; Y1852-H1856 WeakPolarHBondContact O-CB 3.19Å; Y1852-H1856 PolarHBondContact O-N 3.39Å; E1853-H1856 PolarHBondContact O-N 3.5Å; H1856-F1858 VanDerWaalsContact C-N 3.28Å; H1856-F1858 PolarHBondContact O-N 2.84Å; H1856-I1859 PolarHBondContact O-N 3.33Å; H1856-F1860 PolarHBondContact O-N 2.84Å; H1856-F1860 VanDerWaalsContact O-N 3.15Å
1857D79.5Confident72.8Confident32 Ų3258.6 Ų58.617%0.17131%0.312CS..Hα-helixtrans-66.4-30.4173.5-173.973.5000112.1R1834 Q1838 E1853 F1860 S1861R1834-D1857 IonicContact CZ-OD1 2.69Å; R1834-D1857 IonicContact CZ-OD2 2.64Å; R1834-D1857 IonicContact NE-OD1 2.66Å; R1834-D1857 PolarHBondContact NE-OD1 2.96Å; R1834-D1857 IonicContact NE-OD2 3.75Å; R1834-D1857 VanDerWaalsContact NH2-CG 3.29Å; R1834-D1857 IonicContact NH2-OD1 3.85Å; R1834-D1857 PolarHBondContact NH2-OD1 2.84Å; R1834-D1857 VanDerWaalsContact NH2-OD1 3.11Å; R1834-D1857 IonicContact NH2-OD2 3.87Å; R1834-D1857 PolarHBondContact NH2-OD2 3.17Å; Q1838-D1857 PolarHBondContact NE2-OD1 2.92Å; Q1838-D1857 VanDerWaalsContact NE2-OD1 3.1Å; E1853-D1857 PolarHBondContact O-N 3.41Å; E1853-D1857 VanDerWaalsContact O-N 3.07Å; D1857-F1860 PolarHBondContact O-N 3.24Å; D1857-S1861 PolarHBondContact O-N 3.03Å; D1857-S1861 VanDerWaalsContact O-N 3.15Å
1858F82.6Confident71.5Confident0 Ų055.7 Ų55.70%030%0.298CS..Hα-helixtrans-66.4-44.5170.8-178.1-113.9000112.6L1691 K1692 C1695 L1787 C1791 E1854 L1855 H1856 F1860 S1861 I1862L1691-F1858 HydrophobicContact CB-CE1 3.88Å; L1691-F1858 HydrophobicContact CB-CE2 4.25Å; L1691-F1858 HydrophobicContact CB-CZ 3.63Å; L1691-F1858 HydrophobicContact CD1-CE1 4.47Å; L1691-F1858 WeakPolarHBondContact O-CE2 3.42Å; L1691-F1858 WeakPolarHBondContact O-CZ 3.35Å; K1692-F1858 HydrophobicContact CG-CD2 3.65Å; K1692-F1858 HydrophobicContact CG-CE2 4.02Å; C1695-F1858 HydrophobicContact CB-CE2 3.62Å; C1695-F1858 HydrophobicContact CB-CZ 3.97Å; L1787-F1858 HydrophobicContact CD1-CZ 4.32Å; C1791-F1858 VanDerWaalsContact SG-CE1 3.54Å; E1854-F1858 VanDerWaalsContact O-CB 3.28Å; E1854-F1858 WeakPolarHBondContact O-CB 3.34Å; E1854-F1858 PolarHBondContact O-N 2.99Å; L1855-F1858 WeakPolarHBondContact O-CB 3.39Å; L1855-F1858 PolarHBondContact O-N 3.04Å; H1856-F1858 VanDerWaalsContact C-N 3.28Å; H1856-F1858 PolarHBondContact O-N 2.84Å; F1858-F1860 VanDerWaalsContact C-N 3.28Å; F1858-F1860 PolarHBondContact O-N 3.29Å; F1858-S1861 WeakPolarHBondContact CD2-OG 3.43Å; F1858-S1861 WeakPolarHBondContact O-CB 3.28Å; F1858-S1861 PolarHBondContact O-N 3.48Å; F1858-S1861 PolarHBondContact O-OG 3.16Å; F1858-I1862 HydrophobicContact CD1-CD1 4.16Å; F1858-I1862 HydrophobicContact CE1-CD1 3.74Å; F1858-I1862 HydrophobicContact CE1-CG1 4.19Å; F1858-I1862 HydrophobicContact CE2-CG1 4.47Å; F1858-I1862 HydrophobicContact CZ-CD1 4.13Å; F1858-I1862 HydrophobicContact CZ-CG1 4.11Å; F1858-I1862 PolarHBondContact O-N 3.05Å
1859I82.6Confident69.8Low6 Ų660.9 Ų60.93%0.03131%0.305CS..Hα-helixtrans-56.7-42.5175-76.1173.3000110.8L1788 F1842 F1845 L1855 H1856 S1861 I1862 L1907 I1911L1788-I1859 HydrophobicContact CD2-CG1 4.15Å; F1842-I1859 HydrophobicContact CE1-CD1 4.49Å; F1845-I1859 HydrophobicContact CZ-CD1 4.02Å; L1855-I1859 HydrophobicContact CD2-CD1 3.58Å; L1855-I1859 HydrophobicContact CD2-CG1 4.11Å; L1855-I1859 WeakPolarHBondContact O-CG1 3.44Å; L1855-I1859 PolarHBondContact O-N 3.3Å; H1856-I1859 PolarHBondContact O-N 3.33Å; I1859-S1861 VanDerWaalsContact C-N 3.34Å; I1859-S1861 PolarHBondContact O-N 3.33Å; I1859-I1862 PolarHBondContact O-N 3.44Å; I1859-L1907 HydrophobicContact CG2-CD1 3.79Å; I1859-I1911 HydrophobicContact CG2-CD1 4.46Å
1860F83.5Confident68Low0 Ų063.4 Ų63.40%033%0.326CS..Hα-helixtrans-57.2-48.1173.2-175.3-94.3000111.4R1834 F1837 H1856 D1857 F1858 I1862 F1863 T1864 E1900 V1902R1834-F1860 HydrophobicContact CB-CD1 4.08Å; R1834-F1860 HydrophobicContact CB-CE1 3.44Å; R1834-F1860 VanDerWaalsContact CB-CE1 3.44Å; R1834-F1860 HydrophobicContact CB-CE2 4.3Å; R1834-F1860 HydrophobicContact CB-CZ 3.58Å; R1834-F1860 HydrophobicContact CG-CD1 3.65Å; R1834-F1860 HydrophobicContact CG-CE1 3.54Å; R1834-F1860 HydrophobicContact CG-CG 4.3Å; R1834-F1860 HydrophobicContact CG-CZ 4.11Å; R1834-F1860 VanDerWaalsContact N-CZ 3.3Å; F1837-F1860 HydrophobicContact CB-CD2 3.65Å; F1837-F1860 HydrophobicContact CB-CE2 3.85Å; F1837-F1860 HydrophobicContact CD1-CB 3.73Å; F1837-F1860 AromaticContact CD1-CD2 3.54Å; F1837-F1860 HydrophobicContact CD1-CD2 3.54Å; F1837-F1860 HydrophobicContact CD1-CG 4.01Å; F1837-F1860 HydrophobicContact CD2-CD2 4.12Å; F1837-F1860 HydrophobicContact CE1-CB 3.8Å; F1837-F1860 HydrophobicContact CE1-CD2 4.17Å; F1837-F1860 HydrophobicContact CE1-CG 4.48Å; F1837-F1860 AromaticContact CG-CD2 3.49Å; F1837-F1860 HydrophobicContact CG-CD2 3.49Å; F1837-F1860 VanDerWaalsContact CG-CD2 3.49Å; F1837-F1860 HydrophobicContact CG-CE2 4.13Å; F1837-F1860 HydrophobicContact CG-CG 4.39Å; H1856-F1860 PolarHBondContact O-N 2.84Å; H1856-F1860 VanDerWaalsContact O-N 3.15Å; D1857-F1860 PolarHBondContact O-N 3.24Å; F1858-F1860 VanDerWaalsContact C-N 3.28Å; F1858-F1860 PolarHBondContact O-N 3.29Å; F1860-I1862 VanDerWaalsContact C-N 3.27Å; F1860-I1862 PolarHBondContact O-N 3.37Å; F1860-F1863 PolarHBondContact O-N 2.85Å; F1860-F1863 VanDerWaalsContact O-N 3.1Å; F1860-T1864 HydrophobicContact CD1-CG2 3.68Å; F1860-T1864 HydrophobicContact CE1-CG2 3.41Å; F1860-T1864 VanDerWaalsContact CE1-CG2 3.41Å; F1860-T1864 HydrophobicContact CZ-CG2 4.23Å; F1860-T1864 PolarHBondContact O-N 3.18Å; F1860-E1900 HydrophobicContact CE1-CB 4.23Å; F1860-V1902 HydrophobicContact CD1-CG2 4.36Å; F1860-V1902 HydrophobicContact CD2-CB 4.19Å; F1860-V1902 HydrophobicContact CD2-CG2 3.6Å; F1860-V1902 HydrophobicContact CE1-CG2 4.1Å; F1860-V1902 HydrophobicContact CE2-CB 3.74Å; F1860-V1902 HydrophobicContact CE2-CG2 3.31Å; F1860-V1902 HydrophobicContact CG-CG2 4.13Å; F1860-V1902 HydrophobicContact CZ-CB 4.3Å; F1860-V1902 HydrophobicContact CZ-CG2 3.57Å
1861S80.6Confident66.1Low26 Ų2664.3 Ų64.318%0.18233%0.33CS..Hα-helixtrans-57.2-35.6-17679.70000113.9D1857 F1858 I1859 F1863 T1864D1857-S1861 PolarHBondContact O-N 3.03Å; D1857-S1861 VanDerWaalsContact O-N 3.15Å; F1858-S1861 WeakPolarHBondContact CD2-OG 3.43Å; F1858-S1861 WeakPolarHBondContact O-CB 3.28Å; F1858-S1861 PolarHBondContact O-N 3.48Å; F1858-S1861 PolarHBondContact O-OG 3.16Å; I1859-S1861 VanDerWaalsContact C-N 3.34Å; I1859-S1861 PolarHBondContact O-N 3.33Å; S1861-F1863 PolarHBondContact O-N 2.85Å; S1861-T1864 PolarHBondContact O-N 3.4Å; S1861-T1864 PolarHBondContact O-OG1 3.26Å
1862I80.5Confident63.8Low4 Ų465.7 Ų65.72%0.02135%0.345CS..Hα-helixtrans-58.8-31179.2-64.5171.8000112.4W1783 R1784 L1787 L1788 F1858 I1859 F1860W1783-I1862 WeakPolarHBondContact CH2-O 3.32Å; W1783-I1862 HydrophobicContact CZ3-CG2 4.08Å; R1784-I1862 HydrophobicContact CB-CG2 3.48Å; R1784-I1862 VanDerWaalsContact CB-CG2 3.48Å; R1784-I1862 HydrophobicContact CG-CG2 3.56Å; L1787-I1862 HydrophobicContact CB-CD1 4.02Å; L1787-I1862 HydrophobicContact CD1-CG1 4.31Å; L1788-I1862 HydrophobicContact CD2-CD1 4.08Å; L1788-I1862 HydrophobicContact CG-CD1 4.32Å; F1858-I1862 HydrophobicContact CD1-CD1 4.16Å; F1858-I1862 HydrophobicContact CE1-CD1 3.74Å; F1858-I1862 HydrophobicContact CE1-CG1 4.19Å; F1858-I1862 HydrophobicContact CE2-CG1 4.47Å; F1858-I1862 HydrophobicContact CZ-CD1 4.13Å; F1858-I1862 HydrophobicContact CZ-CG1 4.11Å; F1858-I1862 PolarHBondContact O-N 3.05Å; I1859-I1862 PolarHBondContact O-N 3.44Å; F1860-I1862 VanDerWaalsContact C-N 3.27Å; F1860-I1862 PolarHBondContact O-N 3.37Å
1863F76.8Confident61.7Low11 Ų1172 Ų725%0.04838%0.379CS..THydrogen-bonded Turntrans-108.35.3-173.6-67.6-90000114.2R1784 L1788 F1860 S1861 K1865 V1902 D1906 L1907 N1910R1784-F1863 HydrophobicContact CB-CE1 4.35Å; R1784-F1863 HydrophobicContact CB-CZ 4.08Å; L1788-F1863 HydrophobicContact CD1-CE2 3.98Å; L1788-F1863 HydrophobicContact CD1-CZ 3.89Å; F1860-F1863 PolarHBondContact O-N 2.85Å; F1860-F1863 VanDerWaalsContact O-N 3.1Å; S1861-F1863 PolarHBondContact O-N 2.85Å; F1863-K1865 PolarHBondContact O-N 3.42Å; F1863-V1902 HydrophobicContact CB-CG1 3.75Å; F1863-V1902 HydrophobicContact CB-CG2 4.09Å; F1863-D1906 HydrophobicContact CD1-CB 4.49Å; F1863-L1907 HydrophobicContact CD2-CD1 3.44Å; F1863-L1907 VanDerWaalsContact CD2-CD1 3.44Å; F1863-L1907 HydrophobicContact CE2-CD1 3.68Å; F1863-L1907 HydrophobicContact CG-CB 4.49Å; F1863-L1907 HydrophobicContact CG-CD1 4.02Å; F1863-L1907 HydrophobicContact CZ-CD1 4.44Å; F1863-N1910 HydrophobicContact CE1-CB 4.29Å; F1863-N1910 HydrophobicContact CZ-CB 3.79Å
1864T74.3Confident59.6Low28 Ų2875.1 Ų75.117%0.17239%0.394CS..  trans-65.4130.8-179.152.80000112.9F1860 S1861 V1902F1860-T1864 HydrophobicContact CD1-CG2 3.68Å; F1860-T1864 HydrophobicContact CE1-CG2 3.41Å; F1860-T1864 VanDerWaalsContact CE1-CG2 3.41Å; F1860-T1864 HydrophobicContact CZ-CG2 4.23Å; F1860-T1864 PolarHBondContact O-N 3.18Å; S1861-T1864 PolarHBondContact O-N 3.4Å; S1861-T1864 PolarHBondContact O-OG1 3.26Å; T1864-V1902 HydrophobicContact CG2-CG2 4.22Å
1865K63.6Low57.3Low120 Ų12075 Ų7552%0.52240%0.4SS..BIsolated β-bridgetrans-98.9115.7167.6-72.7-178.8179.2173.50109.7F1863 V1867F1863-K1865 PolarHBondContact O-N 3.42Å; K1865-V1867 PolarHBondContact O-N 2.9Å
1866K55.4Low55.1Low109 Ų10984.4 Ų84.447%0.47444%0.437SS..  trans-77.8112.4177.6-72.7175-179.9166.30110.1S1868K1866-S1868 PolarHBondContact O-N 3.37Å; K1866-S1868 VanDerWaalsContact O-N 3.09Å
1867V45.3Very low52.8Low112 Ų11290.2 Ų90.268%0.67947%0.468SS*.  trans-67.5107.6178.5-178.10000109.7K1865 Q1869K1865-V1867 PolarHBondContact O-N 2.9Å; V1867-Q1869 PolarHBondContact O-N 3.17Å
1868S39.9Very low50.4Low92 Ų9297.2 Ų97.264%0.64350%0.497SS*.  trans-71.8111.2174.1-67.20000109.9K1866 S1870K1866-S1868 PolarHBondContact O-N 3.37Å; K1866-S1868 VanDerWaalsContact O-N 3.09Å; S1868-S1870 PolarHBondContact O-N 2.9Å
1869Q31.4Very low47.8Very low172 Ų172102.7 Ų102.780%0.80453%0.526SS*.  trans-70.589179.1-70.7-174.5-11.600111.6V1867 K1871V1867-Q1869 PolarHBondContact O-N 3.17Å; Q1869-K1871 PolarHBondContact O-N 3.3Å
1870S32Very low45.2Very low119 Ų119108.4 Ų108.483%0.83256%0.557SS**  trans-69109.3165.755.50000110S1868S1868-S1870 PolarHBondContact O-N 2.9Å
1871K32Very low42.5Very low183 Ų183113.6 Ų113.680%0.79659%0.593SS**  trans-74.2132.8175.9-62.1178.2179.3177.20110.9Q1869Q1869-K1871 PolarHBondContact O-N 3.3Å
1872T25.6Very low40.1Very low113 Ų113119.9 Ų119.969%0.69362%0.62SS**  trans57.7141.8140.958.20000119.2
1873N28Very low37.6Very low146 Ų146125.6 Ų125.678%0.78165%0.65SS**  cis-167.5176.46.1-117.1-10.3000111.3
1874Q29.6Very low35.2Very low182 Ų182130.5 Ų130.585%0.8568%0.681SS**  trans112.2126.5163.6-63.8-172.524.300113.3
1875T25.5Very low32.9Very low97 Ų97137.3 Ų137.360%0.59571%0.711SS**SBendcis-141.8155.615.251.10000115
1876Y31.2Very low31.2Very low199 Ų199138.5 Ų138.578%0.7873%0.728SS**  trans72.3104.3168.4-52.7-73.5000117.2
1877L28.2Very low29.8Very low143 Ų143144.1 Ų144.175%0.74975%0.748SS**  82126.870.4-79.5158.8000113.2
1878K30.6Very low28.9Very low179 Ų179146.2 Ų146.278%0.77875%0.754SS**  cis-154.2147.135.1-81.8-164.8176.7-179.30116.6
1879N26.7Very low28.4Very low115 Ų115149.2 Ų149.262%0.61576%0.763SS**  trans51.2153131.7-53.854.8000123
1880D28.1Very low28.1Very low127 Ų127146.7 Ų146.768%0.67976%0.764SS**  cis-173.7143-20.5-92.9-24.2000113.6
1881S27.6Very low27.8Very low109 Ų109149 Ų14976%0.76276%0.762SS**  trans64.8154.4144.975.40000121.7
1882Q29.5Very low27.5Very low158 Ų158146.8 Ų146.874%0.73876%0.759SS**  cis-166.8160.6-7.2-122.7-177.227.700113.9
1883N28.7Very low27.5Very low124 Ų124152.4 Ų152.466%0.66377%0.769SS**  trans72148.1151.6-58-14.9000120.7
1884T25.2Very low27.7Very low113 Ų113155.3 Ų155.369%0.69377%0.774SS**  cis-161.4141.9-2.813.80000114.5
1885E26.2Very low27.7Very low172 Ų172153.1 Ų153.180%0.80477%0.773SS**  trans43.6126.6144.3-64.6178.7-17400126.1
1886T27.8Very low28.1Very low144 Ų144153.9 Ų153.988%0.88378%0.778SS**  -174.2167.3114.518.40000114.1
1887Y26.6Very low28.6Very low227 Ų227148.1 Ų148.189%0.8977%0.767SS**  trans-81165.1-179.7-80.2-120.4000112.2
1888I27.2Very low29.2Very low156 Ų156149.8 Ų149.880%0.877%0.773SS**  -157.7161.655-74.4173.6000111.7
1889N28.4Very low30.4Very low156 Ų156148.2 Ų148.283%0.83477%0.768SS**  trans-37.6141.9175.2-63.8-20000118.8
1890S25.8Very low32.3Very low118 Ų118144.6 Ų144.683%0.82575%0.748SS**  trans-150.6165.6145.564.40000111.2
1891Q25.7Very low34.4Very low169 Ų169140.5 Ų140.579%0.7973%0.727SS**  trans-87.4167.1173.6-70.6-173.2-7.700111.7
1892N25.3Very low36.6Very low136 Ų136135.4 Ų135.473%0.72769%0.691SS**  trans53.791.4166.6-68.3-19.9000117.1
1893Y26.2Very low39Very low231 Ų231129.3 Ų129.391%0.90666%0.664SS**  -150.3107.7127.3-83.9-62.6000109.8T1895Y1893-T1895 PolarHBondContact O-N 3.36Å
1894K32.6Very low41.4Very low206 Ų206123.4 Ų123.490%0.89663%0.632SS**  trans-87.299.9167.8-152.9174.9-169.6176.80106.7V1896K1894-V1896 PolarHBondContact O-N 2.94Å; K1894-V1896 VanDerWaalsContact O-N 3.14Å
1895T29Very low43.9Very low136 Ų136118.1 Ų118.183%0.83460%0.6SS**PPolyproline II helixtrans-57.8116.4-175.535.90000110.9Y1893 S1897Y1893-T1895 PolarHBondContact O-N 3.36Å; T1895-S1897 PolarHBondContact O-N 2.64Å
1896V34.2Very low46.3Very low114 Ų114111.4 Ų111.469%0.69157%0.57SS**PPolyproline II helixtrans-69.8119.3173.3178.20000107.8K1894 M1898K1894-V1896 PolarHBondContact O-N 2.94Å; K1894-V1896 VanDerWaalsContact O-N 3.14Å; V1896-M1898 PolarHBondContact O-N 3.45Å
1897S40.4Very low48.9Very low77 Ų77104.6 Ų104.654%0.53853%0.528SS..PPolyproline II helixtrans-64.7122169.348.50000109.2T1895 E1899T1895-S1897 PolarHBondContact O-N 2.64Å; S1897-E1899 PolarHBondContact O-N 3.35Å
1898M42.5Very low51.6Low178 Ų17893.8 Ų93.888%0.87749%0.485SS*.THydrogen-bonded Turntrans-58.3-5.3-170-92-72.9-170.200117V1896V1896-M1898 PolarHBondContact O-N 3.45Å
1899E54.2Low54.2Low147 Ų14786.4 Ų86.469%0.68745%0.447SS*.THydrogen-bonded Turntrans-126.241.9-167.1-63.2179.7-176.900113.2S1897 T1901S1897-E1899 PolarHBondContact O-N 3.35Å; E1899-T1901 PolarHBondContact O-N 2.89Å; E1899-T1901 VanDerWaalsContact O-N 3.16Å
1900E66.6Low56.7Low39 Ų3979.2 Ų79.218%0.18241%0.409CS..  trans-63.7111.5158.5-69.7-169.8150.900108.8T1833 R1834 F1860T1833-E1900 WeakPolarHBondContact CA-O 3.4Å; R1834-E1900 IonicContact CZ-OE2 3.92Å; R1834-E1900 PolarHBondContact N-O 2.91Å; R1834-E1900 IonicContact NH1-OE2 2.57Å; R1834-E1900 PolarHBondContact NH1-OE2 3.04Å; F1860-E1900 HydrophobicContact CE1-CB 4.23Å
1901T72.5Confident59.3Low41 Ų4173.7 Ų73.725%0.25237%0.37SS..EExtended strand (participates in β ladder)trans-119144.4179.848.10000111.6T1833 E1899T1833-T1901 HydrophobicContact CG2-CG2 3.84Å; E1899-T1901 PolarHBondContact O-N 2.89Å; E1899-T1901 VanDerWaalsContact O-N 3.16Å
1902V75.3Confident61.9Low1 Ų165.7 Ų65.71%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-114.4138.3175.4166.70000109.4K1831 V1832 F1860 F1863 T1864 C1904 L1907K1831-V1902 WeakPolarHBondContact CA-O 3.46Å; V1832-V1902 PolarHBondContact N-O 3.44Å; V1832-V1902 PolarHBondContact O-N 3.06Å; F1860-V1902 HydrophobicContact CD1-CG2 4.36Å; F1860-V1902 HydrophobicContact CD2-CB 4.19Å; F1860-V1902 HydrophobicContact CD2-CG2 3.6Å; F1860-V1902 HydrophobicContact CE1-CG2 4.1Å; F1860-V1902 HydrophobicContact CE2-CB 3.74Å; F1860-V1902 HydrophobicContact CE2-CG2 3.31Å; F1860-V1902 HydrophobicContact CG-CG2 4.13Å; F1860-V1902 HydrophobicContact CZ-CB 4.3Å; F1860-V1902 HydrophobicContact CZ-CG2 3.57Å; F1863-V1902 HydrophobicContact CB-CG1 3.75Å; F1863-V1902 HydrophobicContact CB-CG2 4.09Å; T1864-V1902 HydrophobicContact CG2-CG2 4.22Å; V1902-C1904 PolarHBondContact O-N 3.05Å; V1902-L1907 HydrophobicContact CG1-CB 4.17Å; V1902-L1907 HydrophobicContact CG1-CD2 4.27Å
1903N78.4Confident64.4Low31 Ų3159.3 Ų59.317%0.16630%0.299CS..EExtended strand (participates in β ladder)trans-80111.2171.2179.622.1000109.3S1905 D1906 L1907N1903-S1905 PolarHBondContact ND2-OG 3.44Å; N1903-S1905 PolarHBondContact O-N 3.43Å; N1903-S1905 PolarHBondContact OD1-OG 3.48Å; N1903-S1905 VanDerWaalsContact OD1-OG 3.04Å; N1903-D1906 PolarHBondContact ND2-OD2 2.97Å; N1903-D1906 PolarHBondContact O-N 3.19Å; N1903-L1907 PolarHBondContact O-N 2.97Å
1904C78.8Confident66.8Low0 Ų048.5 Ų48.50%026%0.257CS..Hα-helixtrans-65.3-26.6-172.4-700000113.3V1830 V1832 V1902 L1907 L1908V1830-C1904 HydrophobicContact CB-CB 4.23Å; V1830-C1904 HydrophobicContact CG1-CB 4.1Å; V1830-C1904 PolarHBondContact O-N 3.5Å; V1832-C1904 WeakPolarHBondContact CG2-SG 3.27Å; V1902-C1904 PolarHBondContact O-N 3.05Å; C1904-L1907 PolarHBondContact O-N 2.97Å; C1904-L1908 WeakPolarHBondContact O-CB 3.38Å; C1904-L1908 WeakPolarHBondContact O-CG 3.43Å; C1904-L1908 PolarHBondContact O-N 3.01Å
1905S78.1Confident68.6Low2 Ų240.8 Ų40.81%0.01422%0.224CC..Hα-helixtrans-64.9-42.917659.40000112.9L1828 N1903 L1907 L1909L1828-S1905 PolarHBondContact O-OG 3.43Å; N1903-S1905 PolarHBondContact ND2-OG 3.44Å; N1903-S1905 PolarHBondContact O-N 3.43Å; N1903-S1905 PolarHBondContact OD1-OG 3.48Å; N1903-S1905 VanDerWaalsContact OD1-OG 3.04Å; S1905-L1907 VanDerWaalsContact C-N 3.33Å; S1905-L1909 WeakPolarHBondContact O-CB 3.45Å; S1905-L1909 VanDerWaalsContact O-CG 3.27Å; S1905-L1909 WeakPolarHBondContact O-CG 3.31Å; S1905-L1909 PolarHBondContact O-N 3.14Å
1906D76.9Confident70.6Confident31 Ų3135 Ų3517%0.16619%0.188CC..Hα-helixtrans-70.5-32.3179.8-61.6-31.9000111.8F1863 N1903 N1910 K1972F1863-D1906 HydrophobicContact CD1-CB 4.49Å; N1903-D1906 PolarHBondContact ND2-OD2 2.97Å; N1903-D1906 PolarHBondContact O-N 3.19Å; D1906-N1910 PolarHBondContact O-ND2 3.24Å; D1906-K1972 WeakPolarHBondContact OD1-CE 3.47Å; D1906-K1972 IonicContact OD1-NZ 2.72Å; D1906-K1972 PolarHBondContact OD1-NZ 3.19Å
1907L82.4Confident72.3Confident0 Ų037.1 Ų37.10%019%0.188CC..Hα-helixtrans-69.7-56.1175.417869.4000111.5F1837 I1859 F1863 V1902 N1903 C1904 S1905 L1909 N1910 I1911F1837-L1907 HydrophobicContact CD2-CD2 4.45Å; F1837-L1907 HydrophobicContact CE2-CD2 3.44Å; F1837-L1907 VanDerWaalsContact CE2-CD2 3.44Å; F1837-L1907 HydrophobicContact CZ-CD2 3.84Å; I1859-L1907 HydrophobicContact CG2-CD1 3.79Å; F1863-L1907 HydrophobicContact CD2-CD1 3.44Å; F1863-L1907 VanDerWaalsContact CD2-CD1 3.44Å; F1863-L1907 HydrophobicContact CE2-CD1 3.68Å; F1863-L1907 HydrophobicContact CG-CB 4.49Å; F1863-L1907 HydrophobicContact CG-CD1 4.02Å; F1863-L1907 HydrophobicContact CZ-CD1 4.44Å; V1902-L1907 HydrophobicContact CG1-CB 4.17Å; V1902-L1907 HydrophobicContact CG1-CD2 4.27Å; N1903-L1907 PolarHBondContact O-N 2.97Å; C1904-L1907 PolarHBondContact O-N 2.97Å; S1905-L1907 VanDerWaalsContact C-N 3.33Å; L1907-L1909 VanDerWaalsContact C-N 3.34Å; L1907-L1909 PolarHBondContact O-N 3.09Å; L1907-N1910 PolarHBondContact O-N 2.81Å; L1907-I1911 HydrophobicContact CD1-CD1 3.86Å; L1907-I1911 HydrophobicContact CD1-CG1 4.36Å; L1907-I1911 HydrophobicContact CD2-CD1 4.45Å; L1907-I1911 HydrophobicContact CG-CD1 3.83Å; L1907-I1911 WeakPolarHBondContact O-CG1 3.21Å; L1907-I1911 PolarHBondContact O-N 3.22Å
1908L82.4Confident74Confident0 Ų035.1 Ų35.10%017%0.174CC..Hα-helixtrans-64.5-36.9-173.5-74.4166.4000112.5L1811 L1815 L1827 C1904 I1911 S1912L1811-L1908 HydrophobicContact CD2-CD2 3.88Å; L1811-L1908 HydrophobicContact CG-CD2 4.19Å; L1815-L1908 HydrophobicContact CD1-CD1 4.13Å; L1815-L1908 HydrophobicContact CD1-CD2 4.18Å; L1815-L1908 HydrophobicContact CD1-CG 4.28Å; L1827-L1908 HydrophobicContact CD2-CD1 3.42Å; L1827-L1908 VanDerWaalsContact CD2-CD1 3.42Å; C1904-L1908 WeakPolarHBondContact O-CB 3.38Å; C1904-L1908 WeakPolarHBondContact O-CG 3.43Å; C1904-L1908 PolarHBondContact O-N 3.01Å; L1908-I1911 PolarHBondContact O-N 3.24Å; L1908-S1912 VanDerWaalsContact O-CB 3.28Å; L1908-S1912 WeakPolarHBondContact O-CB 3.29Å; L1908-S1912 PolarHBondContact O-N 3.05Å; L1908-S1912 PolarHBondContact O-OG 2.85Å
1909L83.3Confident75.6Confident1 Ų128.6 Ų28.61%0.00515%0.145CC..Hα-helixtrans-58.5-49.3173.2-73.7172.7000111.3S1905 L1907 I1911 S1912 C1926 L1930 K1972 I1973 F1976S1905-L1909 WeakPolarHBondContact O-CB 3.45Å; S1905-L1909 VanDerWaalsContact O-CG 3.27Å; S1905-L1909 WeakPolarHBondContact O-CG 3.31Å; S1905-L1909 PolarHBondContact O-N 3.14Å; L1907-L1909 VanDerWaalsContact C-N 3.34Å; L1907-L1909 PolarHBondContact O-N 3.09Å; L1909-I1911 VanDerWaalsContact C-N 3.35Å; L1909-I1911 PolarHBondContact O-N 3.2Å; L1909-S1912 PolarHBondContact O-N 2.76Å; L1909-S1912 PolarHBondContact O-OG 2.84Å; L1909-C1926 HydrophobicContact CD2-CB 3.66Å; L1909-L1930 HydrophobicContact CD1-CD1 4.18Å; L1909-L1930 HydrophobicContact CD2-CD1 3.89Å; L1909-L1930 HydrophobicContact CD2-CG 4.25Å; L1909-L1930 HydrophobicContact CG-CD1 4.11Å; L1909-L1930 HydrophobicContact CG-CG 4.47Å; L1909-K1972 HydrophobicContact CD1-CG 4.26Å; L1909-I1973 HydrophobicContact CD2-CG1 4.11Å; L1909-F1976 HydrophobicContact CB-CD2 3.68Å; L1909-F1976 HydrophobicContact CB-CE2 3.62Å; L1909-F1976 HydrophobicContact CB-CZ 4.45Å; L1909-F1976 HydrophobicContact CD1-CD2 4Å; L1909-F1976 HydrophobicContact CG-CD2 4.37Å
1910N79.9Confident76.9Confident6 Ų621.7 Ų21.73%0.03211%0.113CC..Hα-helixtrans-66.5-33.2178.7-78.4-73.3000113.4Q1785 L1788 F1863 D1906 L1907 F1976Q1785-N1910 VanDerWaalsContact CG-OD1 3.23Å; Q1785-N1910 WeakPolarHBondContact CG-OD1 3.27Å; Q1785-N1910 PolarHBondContact NE2-OD1 2.73Å; L1788-N1910 HydrophobicContact CD1-CB 3.75Å; F1863-N1910 HydrophobicContact CE1-CB 4.29Å; F1863-N1910 HydrophobicContact CZ-CB 3.79Å; D1906-N1910 PolarHBondContact O-ND2 3.24Å; L1907-N1910 PolarHBondContact O-N 2.81Å; N1910-F1976 HydrophobicContact CB-CZ 4.49Å; N1910-F1976 WeakPolarHBondContact OD1-CZ 3.02Å
1911I81.8Confident77.4Confident2 Ų220.2 Ų20.21%0.0111%0.106CC..Hα-helixtrans-69.7-39.3173.3-64174.7000110.9I1803 L1808 F1842 W1844 I1859 L1907 L1908 L1909 V1913 I1914I1803-I1911 HydrophobicContact CD1-CG2 4.17Å; L1808-I1911 HydrophobicContact CD2-CG2 3.82Å; F1842-I1911 HydrophobicContact CE1-CD1 3.98Å; F1842-I1911 HydrophobicContact CZ-CD1 4.03Å; W1844-I1911 HydrophobicContact CH2-CG2 3.98Å; W1844-I1911 HydrophobicContact CZ2-CG2 3.82Å; I1859-I1911 HydrophobicContact CG2-CD1 4.46Å; L1907-I1911 HydrophobicContact CD1-CD1 3.86Å; L1907-I1911 HydrophobicContact CD1-CG1 4.36Å; L1907-I1911 HydrophobicContact CD2-CD1 4.45Å; L1907-I1911 HydrophobicContact CG-CD1 3.83Å; L1907-I1911 WeakPolarHBondContact O-CG1 3.21Å; L1907-I1911 PolarHBondContact O-N 3.22Å; L1908-I1911 PolarHBondContact O-N 3.24Å; L1909-I1911 VanDerWaalsContact C-N 3.35Å; L1909-I1911 PolarHBondContact O-N 3.2Å; I1911-V1913 PolarHBondContact O-N 3.42Å; I1911-V1913 VanDerWaalsContact O-N 3.17Å; I1911-I1914 HydrophobicContact CB-CD1 4.35Å; I1911-I1914 HydrophobicContact CG2-CD1 4.19Å; I1911-I1914 WeakPolarHBondContact O-CB 3.35Å; I1911-I1914 WeakPolarHBondContact O-CG1 3.46Å; I1911-I1914 PolarHBondContact O-N 3.16Å
1912S80.1Confident77.7Confident0 Ų018.2 Ų18.20%09%0.094CC..Hα-helixtrans-66-19.8-174.467.20000115L1908 L1909 V1916 R1925 C1926L1908-S1912 VanDerWaalsContact O-CB 3.28Å; L1908-S1912 WeakPolarHBondContact O-CB 3.29Å; L1908-S1912 PolarHBondContact O-N 3.05Å; L1908-S1912 PolarHBondContact O-OG 2.85Å; L1909-S1912 PolarHBondContact O-N 2.76Å; L1909-S1912 PolarHBondContact O-OG 2.84Å; S1912-V1916 WeakPolarHBondContact O-CG2 3.43Å; S1912-R1925 WeakPolarHBondContact O-CD 3.33Å; S1912-C1926 PolarHBondContact OG-SG 3.46Å
1913V77.9Confident78.2Confident2 Ų218.2 Ų18.21%0.0129%0.094CC..THydrogen-bonded Turntrans-91.53.4177-172.80000112.3I1911 F1976 K2048 G2049 I2050I1911-V1913 PolarHBondContact O-N 3.42Å; I1911-V1913 VanDerWaalsContact O-N 3.17Å; V1913-F1976 HydrophobicContact CG2-CE1 3.91Å; V1913-F1976 HydrophobicContact CG2-CZ 4.4Å; V1913-K2048 WeakPolarHBondContact CG1-O 3.26Å; V1913-G2049 WeakPolarHBondContact O-CA 3.5Å; V1913-I2050 HydrophobicContact CB-CG1 4.36Å; V1913-I2050 HydrophobicContact CG1-CG1 4.13Å; V1913-I2050 PolarHBondContact O-N 3.41Å; V1913-I2050 VanDerWaalsContact O-N 3.13Å
1914I75.8Confident78.4Confident5 Ų516.7 Ų16.73%0.0269%0.086CC..THydrogen-bonded Turntrans-71.8135.9172.7-68.7171.1000111Q1792 I1803 I1911 V1916 R1925 I2050Q1792-I1914 VanDerWaalsContact CD-CG2 3.41Å; I1803-I1914 HydrophobicContact CD1-CB 4.05Å; I1803-I1914 HydrophobicContact CD1-CD1 4.15Å; I1803-I1914 HydrophobicContact CD1-CG2 3.7Å; I1911-I1914 HydrophobicContact CB-CD1 4.35Å; I1911-I1914 HydrophobicContact CG2-CD1 4.19Å; I1911-I1914 WeakPolarHBondContact O-CB 3.35Å; I1911-I1914 WeakPolarHBondContact O-CG1 3.46Å; I1911-I1914 PolarHBondContact O-N 3.16Å; I1914-V1916 PolarHBondContact O-N 2.93Å; I1914-V1916 VanDerWaalsContact O-N 3.1Å; I1914-R1925 PolarHBondContact O-NH1 3.4Å; I1914-I2050 HydrophobicContact CG1-CD1 4.3Å
1915Q71.2Confident78.7Confident44 Ų4417.3 Ų17.321%0.2069%0.088CC..THydrogen-bonded Turntrans57.521.1174.5-65170.421.300115.3Q1792 K1917Q1792-Q1915 VanDerWaalsContact OE1-NE2 3.16Å; Q1915-K1917 PolarHBondContact O-N 3.45Å
1916V70.4Confident79Confident14 Ų1417.2 Ų17.29%0.0859%0.087CC..  trans-78.6115.1-178.5170.40000111.8S1912 I1914 S1918S1912-V1916 WeakPolarHBondContact O-CG2 3.43Å; I1914-V1916 PolarHBondContact O-N 2.93Å; I1914-V1916 VanDerWaalsContact O-N 3.1Å; V1916-S1918 WeakPolarHBondContact CG1-O 3.47Å
1917K69.8Low79.3Confident159 Ų15915.7 Ų15.769%0.6918%0.079SC*.SBendtrans-66.3-43.2175.5-61179.2-171170.50113.4Q1915 D1950Q1915-K1917 PolarHBondContact O-N 3.45Å; K1917-D1950 IonicContact NZ-OD1 2.77Å; K1917-D1950 PolarHBondContact NZ-OD1 2.72Å
1918S76.6Confident79.4Confident34 Ų3415.7 Ų15.724%0.2388%0.079CC..SBendtrans-123.1128.5-175.3172.30000110.5V1916 Y1920 I1921 G1922V1916-S1918 WeakPolarHBondContact CG1-O 3.47Å; S1918-Y1920 PolarHBondContact O-N 2.71Å; S1918-I1921 WeakPolarHBondContact O-CB 3.18Å; S1918-I1921 PolarHBondContact O-N 3.07Å; S1918-G1922 PolarHBondContact O-N 3.17Å
1919P75.2Confident79.3Confident41 Ų4115.7 Ų15.727%0.2668%0.079SC..Hα-helixtrans-58.9-26.8-176.123.7-34000113.4G1922 F1923 L2044 F2047 K2048P1919-G1922 PolarHBondContact O-N 3.18Å; P1919-F1923 PolarHBondContact O-N 3.47Å; P1919-L2044 HydrophobicContact CB-CB 4.26Å; P1919-L2044 HydrophobicContact CB-CD2 4.27Å; P1919-L2044 WeakPolarHBondContact CB-O 3.35Å; P1919-L2044 HydrophobicContact CG-CB 4.44Å; P1919-F2047 WeakPolarHBondContact CA-O 3.4Å; P1919-F2047 HydrophobicContact CB-CB 4.4Å; P1919-F2047 VanDerWaalsContact O-CB 3.25Å; P1919-F2047 WeakPolarHBondContact O-CB 3.4Å; P1919-K2048 HydrophobicContact CB-CB 4.45Å
1920Y81.2Confident79.2Confident3 Ų315.7 Ų15.71%0.0128%0.079CC..Hα-helixtrans-68.2-36.2176-176.1-126.5000112.2S1918 G1922 F1923 L1924 I1938 L1944 V1946 L2031 L2040S1918-Y1920 PolarHBondContact O-N 2.71Å; Y1920-G1922 VanDerWaalsContact C-N 3.33Å; Y1920-F1923 HydrophobicContact CD2-CD1 4.41Å; Y1920-F1923 HydrophobicContact CE2-CD1 4.37Å; Y1920-F1923 PolarHBondContact O-N 3.03Å; Y1920-L1924 HydrophobicContact CD1-CD1 4.3Å; Y1920-L1924 HydrophobicContact CE1-CD1 4.01Å; Y1920-L1924 WeakPolarHBondContact O-CG 3.48Å; Y1920-L1924 PolarHBondContact O-N 2.92Å; Y1920-I1938 WeakPolarHBondContact CE1-O 3.45Å; Y1920-I1938 PolarHBondContact OH-O 2.94Å; Y1920-L1944 HydrophobicContact CD1-CB 4.44Å; Y1920-L1944 HydrophobicContact CD2-CD2 4.26Å; Y1920-L1944 HydrophobicContact CE1-CB 4.31Å; Y1920-L1944 HydrophobicContact CE2-CD1 4.21Å; Y1920-L1944 HydrophobicContact CG-CD2 4.35Å; Y1920-V1946 HydrophobicContact CD1-CG2 3.69Å; Y1920-V1946 HydrophobicContact CE1-CG2 3.81Å; Y1920-L2031 HydrophobicContact CE2-CD2 4.31Å; Y1920-L2031 WeakPolarHBondContact OH-CD1 3.3Å; Y1920-L2040 HydrophobicContact CD2-CD2 4.3Å; Y1920-L2040 HydrophobicContact CE2-CD2 4.47Å
1921I78Confident79.1Confident7 Ų717 Ų174%0.0369%0.086CC..Hα-helixtrans-66.4-38.4171.6-60177.3000110S1918 L1924 R1925 Y1937 V1946 D1950 E1954S1918-I1921 WeakPolarHBondContact O-CB 3.18Å; S1918-I1921 PolarHBondContact O-N 3.07Å; I1921-L1924 PolarHBondContact O-N 3.17Å; I1921-R1925 HydrophobicContact CG2-CG 4.48Å; I1921-R1925 WeakPolarHBondContact O-CG 3.47Å; I1921-R1925 PolarHBondContact O-N 2.67Å; I1921-Y1937 HydrophobicContact CG1-CE1 4.25Å; I1921-Y1937 HydrophobicContact CG2-CE1 4.29Å; I1921-V1946 HydrophobicContact CD1-CG1 4.45Å; I1921-D1950 HydrophobicContact CD1-CB 4.16Å; I1921-E1954 WeakPolarHBondContact CG2-OE1 3.5Å
1922G78.8Confident78.8Confident0 Ų017.4 Ų17.40%09%0.09CC..Hα-helixtrans-57.3-49.1172.800000112.5S1918 P1919 Y1920 L1924 R1925 C1926S1918-G1922 PolarHBondContact O-N 3.17Å; P1919-G1922 PolarHBondContact O-N 3.18Å; Y1920-G1922 VanDerWaalsContact C-N 3.33Å; G1922-L1924 VanDerWaalsContact C-N 3.34Å; G1922-L1924 PolarHBondContact O-N 3.49Å; G1922-R1925 PolarHBondContact O-N 2.82Å; G1922-C1926 PolarHBondContact O-N 3.06Å; G1922-C1926 PolarHBondContact O-SG 3.38Å
1923F85.3Confident78.8Confident0 Ų024 Ų240%012%0.115CC..Hα-helixtrans-56.9-43.8173.4168.9-96.5000112.4P1919 Y1920 C1926 L1927 L1970 I1973 L1974 L2027 F2036 L2040 L2044 F2047P1919-F1923 PolarHBondContact O-N 3.47Å; Y1920-F1923 HydrophobicContact CD2-CD1 4.41Å; Y1920-F1923 HydrophobicContact CE2-CD1 4.37Å; Y1920-F1923 PolarHBondContact O-N 3.03Å; F1923-C1926 WeakPolarHBondContact O-CB 3.22Å; F1923-C1926 PolarHBondContact O-N 3.14Å; F1923-L1927 HydrophobicContact CE1-CD2 4.05Å; F1923-L1927 HydrophobicContact CZ-CD2 4.15Å; F1923-L1927 WeakPolarHBondContact O-CB 3.25Å; F1923-L1927 PolarHBondContact O-N 3.43Å; F1923-L1970 HydrophobicContact CE2-CD2 4.15Å; F1923-L1970 HydrophobicContact CZ-CD2 3.98Å; F1923-I1973 HydrophobicContact CD2-CG2 3.79Å; F1923-I1973 HydrophobicContact CE2-CG2 3.8Å; F1923-L1974 HydrophobicContact CE2-CD2 4.3Å; F1923-L2027 HydrophobicContact CE1-CD1 4.36Å; F1923-F2036 HydrophobicContact CZ-CZ 4.38Å; F1923-L2040 HydrophobicContact CD1-CD1 3.94Å; F1923-L2040 HydrophobicContact CD2-CD1 4.4Å; F1923-L2040 HydrophobicContact CE1-CD1 3.61Å; F1923-L2040 HydrophobicContact CE2-CD1 4.1Å; F1923-L2040 HydrophobicContact CG-CD1 4.33Å; F1923-L2040 HydrophobicContact CZ-CD1 3.7Å; F1923-L2044 HydrophobicContact CB-CD2 4.25Å; F1923-F2047 HydrophobicContact CB-CB 4.41Å; F1923-F2047 HydrophobicContact CB-CD1 4.45Å; F1923-F2047 HydrophobicContact CB-CD2 4Å; F1923-F2047 HydrophobicContact CB-CE2 4.44Å; F1923-F2047 HydrophobicContact CB-CG 4.02Å; F1923-F2047 HydrophobicContact CD2-CD2 4.34Å; F1923-F2047 AromaticContact CD2-CE2 3.94Å; F1923-F2047 HydrophobicContact CD2-CE2 3.94Å; F1923-F2047 HydrophobicContact CD2-CZ 4.1Å
1924L82.9Confident78.9Confident0 Ų026.5 Ų26.50%013%0.127CC..Hα-helixtrans-66.7-36.4178.7-66.8172.2000112.5Y1920 I1921 G1922 L1927 S1928 V1935 Y1937 L2027Y1920-L1924 HydrophobicContact CD1-CD1 4.3Å; Y1920-L1924 HydrophobicContact CE1-CD1 4.01Å; Y1920-L1924 WeakPolarHBondContact O-CG 3.48Å; Y1920-L1924 PolarHBondContact O-N 2.92Å; I1921-L1924 PolarHBondContact O-N 3.17Å; G1922-L1924 VanDerWaalsContact C-N 3.34Å; G1922-L1924 PolarHBondContact O-N 3.49Å; L1924-L1927 PolarHBondContact O-N 3.25Å; L1924-S1928 PolarHBondContact O-N 3.29Å; L1924-S1928 PolarHBondContact O-OG 3.05Å; L1924-S1928 VanDerWaalsContact O-OG 3.1Å; L1924-V1935 HydrophobicContact CD2-CG1 4.11Å; L1924-Y1937 HydrophobicContact CD1-CD1 3.4Å; L1924-Y1937 HydrophobicContact CD1-CE1 3.76Å; L1924-Y1937 HydrophobicContact CD1-CG 4.31Å; L1924-L2027 HydrophobicContact CD2-CD2 3.61Å
1925R84.2Confident79Confident12 Ų1226.7 Ų26.75%0.04513%0.128CC..Hα-helixtrans-65.3-43.8170.9-68.3173.4171.5-148.1-10.4112.2I1803 Q1805 L1808 S1912 I1914 I1921 G1922 L1927 S1928 T1929 E1954I1803-R1925 PolarHBondContact O-NH1 2.87Å; I1803-R1925 PolarHBondContact O-NH2 3.21Å; Q1805-R1925 HydrophobicContact CB-CG 4.48Å; L1808-R1925 HydrophobicContact CD1-CB 4.21Å; L1808-R1925 HydrophobicContact CD1-CG 4.29Å; S1912-R1925 WeakPolarHBondContact O-CD 3.33Å; I1914-R1925 PolarHBondContact O-NH1 3.4Å; I1921-R1925 HydrophobicContact CG2-CG 4.48Å; I1921-R1925 WeakPolarHBondContact O-CG 3.47Å; I1921-R1925 PolarHBondContact O-N 2.67Å; G1922-R1925 PolarHBondContact O-N 2.82Å; R1925-L1927 PolarHBondContact O-N 2.88Å; R1925-S1928 PolarHBondContact O-OG 2.91Å; R1925-T1929 WeakPolarHBondContact O-CB 3.32Å; R1925-T1929 WeakPolarHBondContact O-CG2 3.28Å; R1925-T1929 PolarHBondContact O-N 2.98Å; R1925-T1929 PolarHBondContact O-OG1 2.9Å; R1925-E1954 IonicContact CZ-OE1 3.55Å; R1925-E1954 VanDerWaalsContact CZ-OE1 3.25Å; R1925-E1954 IonicContact CZ-OE2 3.78Å; R1925-E1954 IonicContact NE-OE1 3.67Å; R1925-E1954 PolarHBondContact NE-OE1 3.48Å; R1925-E1954 IonicContact NE-OE2 2.57Å; R1925-E1954 PolarHBondContact NE-OE2 2.89Å; R1925-E1954 IonicContact NH2-OE1 2.68Å; R1925-E1954 PolarHBondContact NH2-OE1 3.04Å; R1925-E1954 IonicContact NH2-OE2 3.74Å; R1925-E1954 PolarHBondContact NH2-OE2 3.35Å
1926C84.1Confident79.2Confident0 Ų025.8 Ų25.80%013%0.126CC..Hα-helixtrans-58-39.1173-65.40000111.7L1909 S1912 G1922 F1923 T1929 L1930 I1973 F2047L1909-C1926 HydrophobicContact CD2-CB 3.66Å; S1912-C1926 PolarHBondContact OG-SG 3.46Å; G1922-C1926 PolarHBondContact O-N 3.06Å; G1922-C1926 PolarHBondContact O-SG 3.38Å; F1923-C1926 WeakPolarHBondContact O-CB 3.22Å; F1923-C1926 PolarHBondContact O-N 3.14Å; C1926-T1929 WeakPolarHBondContact CA-OG1 3.41Å; C1926-T1929 PolarHBondContact O-OG1 3.45Å; C1926-L1930 PolarHBondContact O-N 3.24Å; C1926-I1973 HydrophobicContact CB-CG1 4.32Å; C1926-I1973 HydrophobicContact CB-CG2 4.13Å; C1926-F2047 HydrophobicContact CB-CE1 4.31Å
1927L84.4Confident79.5Confident0 Ų026.6 Ų26.60%013%0.128CC..Hα-helixtrans-71.7-46.9-178.7-174.158.1000112F1923 L1924 R1925 L1931 V1935 I1965 I1969 I1973 L2027F1923-L1927 HydrophobicContact CE1-CD2 4.05Å; F1923-L1927 HydrophobicContact CZ-CD2 4.15Å; F1923-L1927 WeakPolarHBondContact O-CB 3.25Å; F1923-L1927 PolarHBondContact O-N 3.43Å; L1924-L1927 PolarHBondContact O-N 3.25Å; R1925-L1927 PolarHBondContact O-N 2.88Å; L1927-L1931 HydrophobicContact CD1-CD1 3.8Å; L1927-L1931 HydrophobicContact CD1-CG 4.35Å; L1927-L1931 HydrophobicContact CG-CD1 3.87Å; L1927-L1931 WeakPolarHBondContact O-CB 3.37Å; L1927-L1931 WeakPolarHBondContact O-CD1 3.4Å; L1927-L1931 VanDerWaalsContact O-CG 3.24Å; L1927-L1931 WeakPolarHBondContact O-CG 3.36Å; L1927-L1931 PolarHBondContact O-N 2.82Å; L1927-L1931 VanDerWaalsContact O-N 3.13Å; L1927-V1935 HydrophobicContact CD2-CG1 4.11Å; L1927-V1935 HydrophobicContact CG-CG2 4.26Å; L1927-I1965 HydrophobicContact CD1-CD1 4.22Å; L1927-I1965 HydrophobicContact CD1-CG2 3.99Å; L1927-I1965 HydrophobicContact CD2-CD1 3.89Å; L1927-I1969 HydrophobicContact CD1-CG2 4.44Å; L1927-I1973 HydrophobicContact CB-CD1 4.11Å; L1927-I1973 HydrophobicContact CD1-CD1 3.67Å; L1927-L2027 HydrophobicContact CD2-CD1 3.94Å; L1927-L2027 HydrophobicContact CD2-CD2 4.36Å
1928S83.9Confident79.6Confident0 Ų020.3 Ų20.30%010%0.101CC..Hα-helixtrans-67.1-35.817854.60000113.8Q1805 L1924 R1925 L1931 G1932 R1933Q1805-S1928 WeakPolarHBondContact CG-OG 3.41Å; Q1805-S1928 PolarHBondContact NE2-OG 3.14Å; L1924-S1928 PolarHBondContact O-N 3.29Å; L1924-S1928 PolarHBondContact O-OG 3.05Å; L1924-S1928 VanDerWaalsContact O-OG 3.1Å; R1925-S1928 PolarHBondContact O-OG 2.91Å; S1928-L1931 PolarHBondContact O-N 2.85Å; S1928-G1932 PolarHBondContact O-N 3.48Å; S1928-R1933 VanDerWaalsContact CA-O 3.28Å; S1928-R1933 WeakPolarHBondContact CA-O 3.39Å; S1928-R1933 WeakPolarHBondContact CB-O 3.45Å; S1928-R1933 PolarHBondContact O-N 3.45Å
1929T80.8Confident79.1Confident0 Ų022.3 Ų22.30%012%0.115CC..Hα-helixtrans-65.7-40.4178.3420000113.2L1808 S1812 R1925 C1926L1808-T1929 HydrophobicContact CB-CG2 3.63Å; L1808-T1929 HydrophobicContact CD1-CG2 4.33Å; L1808-T1929 HydrophobicContact CD2-CG2 4.27Å; L1808-T1929 HydrophobicContact CG-CG2 4.31Å; S1812-T1929 WeakPolarHBondContact CB-O 3.3Å; S1812-T1929 PolarHBondContact OG-O 3.12Å; R1925-T1929 WeakPolarHBondContact O-CB 3.32Å; R1925-T1929 WeakPolarHBondContact O-CG2 3.28Å; R1925-T1929 PolarHBondContact O-N 2.98Å; R1925-T1929 PolarHBondContact O-OG1 2.9Å; C1926-T1929 WeakPolarHBondContact CA-OG1 3.41Å; C1926-T1929 PolarHBondContact O-OG1 3.45Å
1930L80.1Confident78.3Confident1 Ų121.6 Ų21.61%0.00511%0.11CC..Hα-helixtrans-82.1-20.9178.2-65.7-171.5000113.7L1827 L1828 L1909 C1926 I1969 K1972 I1973L1827-L1930 WeakPolarHBondContact CB-O 3.4Å; L1827-L1930 HydrophobicContact CD2-CD2 4.07Å; L1828-L1930 HydrophobicContact CD2-CD1 4.21Å; L1909-L1930 HydrophobicContact CD1-CD1 4.18Å; L1909-L1930 HydrophobicContact CD2-CD1 3.89Å; L1909-L1930 HydrophobicContact CD2-CG 4.25Å; L1909-L1930 HydrophobicContact CG-CD1 4.11Å; L1909-L1930 HydrophobicContact CG-CG 4.47Å; C1926-L1930 PolarHBondContact O-N 3.24Å; L1930-I1969 HydrophobicContact CB-CG2 3.75Å; L1930-I1969 HydrophobicContact CD1-CG2 4.36Å; L1930-K1972 HydrophobicContact CD1-CG 4.22Å; L1930-I1973 HydrophobicContact CD1-CD1 4.38Å; L1930-I1973 HydrophobicContact CD1-CG1 3.87Å
1931L79Confident76.7Confident34 Ų3429.3 Ų29.318%0.17815%0.146CC..Hα-helixtrans-81.4-17.3171.7-72.6170.7000113.6L1927 S1928 R1933 V1935 I1965 I1969L1927-L1931 HydrophobicContact CD1-CD1 3.8Å; L1927-L1931 HydrophobicContact CD1-CG 4.35Å; L1927-L1931 HydrophobicContact CG-CD1 3.87Å; L1927-L1931 WeakPolarHBondContact O-CB 3.37Å; L1927-L1931 WeakPolarHBondContact O-CD1 3.4Å; L1927-L1931 VanDerWaalsContact O-CG 3.24Å; L1927-L1931 WeakPolarHBondContact O-CG 3.36Å; L1927-L1931 PolarHBondContact O-N 2.82Å; L1927-L1931 VanDerWaalsContact O-N 3.13Å; S1928-L1931 PolarHBondContact O-N 2.85Å; L1931-R1933 HydrophobicContact CB-CB 4.46Å; L1931-R1933 PolarHBondContact O-N 2.83Å; L1931-V1935 HydrophobicContact CD1-CG2 3.87Å; L1931-I1965 HydrophobicContact CD1-CG1 4.35Å; L1931-I1969 HydrophobicContact CD2-CD1 3.86Å
1932G75.3Confident75.5Confident9 Ų936.2 Ų36.29%0.09318%0.183CC..THydrogen-bonded Turntrans6519.7-173.300000113.7Q1813 S1928Q1813-G1932 PolarHBondContact NE2-O 3.17Å; S1928-G1932 PolarHBondContact O-N 3.48Å
1933R79Confident74.4Confident138 Ų13842.6 Ų42.652%0.52121%0.213SC..SBendtrans-140.2153-172.1-62.8176.9-153.8-166.24.4110.1S1928 L1931 D1963S1928-R1933 VanDerWaalsContact CA-O 3.28Å; S1928-R1933 WeakPolarHBondContact CA-O 3.39Å; S1928-R1933 WeakPolarHBondContact CB-O 3.45Å; S1928-R1933 PolarHBondContact O-N 3.45Å; L1931-R1933 HydrophobicContact CB-CB 4.46Å; L1931-R1933 PolarHBondContact O-N 2.83Å; R1933-D1963 IonicContact CZ-OD2 2.74Å; R1933-D1963 IonicContact NH1-OD2 3.52Å; R1933-D1963 PolarHBondContact NH1-OD2 2.89Å
1934H80.4Confident73.1Confident56 Ų5643 Ų4326%0.25922%0.215SC..  trans-62.2151.8165.2-65.5-87.3000110.6V1956 P1957 C1960H1934-V1956 HydrophobicContact CB-CG1 4.46Å; H1934-P1957 WeakPolarHBondContact ND1-CD 3.09Å; H1934-C1960 VanDerWaalsContact CB-SG 3.58Å; H1934-C1960 PolarHBondContact O-SG 3.33Å; H1934-C1960 VanDerWaalsContact O-SG 3.41Å
1935V77.8Confident71.8Confident8 Ų847.7 Ų47.75%0.04824%0.238CC..  trans-130.6131.3-179.7172.50000107.3Q1805 L1924 L1927 L1931 L2027Q1805-V1935 PolarHBondContact NE2-O 3.4Å; L1924-V1935 HydrophobicContact CD2-CG1 4.11Å; L1927-V1935 HydrophobicContact CD2-CG1 4.11Å; L1927-V1935 HydrophobicContact CG-CG2 4.26Å; L1931-V1935 HydrophobicContact CD1-CG2 3.87Å; V1935-L2027 HydrophobicContact CG1-CD2 3.47Å; V1935-L2027 VanDerWaalsContact CG1-CD2 3.47Å
1936P76Confident70.6Confident26 Ų2648.2 Ų48.217%0.16924%0.243CC..  trans-71137.3-17827.9-33.8000112I1938 C1960 D1962P1936-I1938 HydrophobicContact CG-CD1 4.26Å; P1936-I1938 HydrophobicContact CG-CG1 4.47Å; P1936-I1938 PolarHBondContact O-N 2.99Å; P1936-C1960 HydrophobicContact CB-CB 4.27Å; P1936-D1962 HydrophobicContact CG-CB 4.28Å
1937Y75.8Confident69.3Low31 Ų3154 Ų5412%0.12227%0.273CS..  trans-70.3113.6168.8-69.6-85000110.1Q1805 I1921 L1924 V1946 M1951 E1954 V1956Q1805-Y1937 VanDerWaalsContact OE1-CZ 3.26Å; Q1805-Y1937 PolarHBondContact OE1-OH 3.34Å; I1921-Y1937 HydrophobicContact CG1-CE1 4.25Å; I1921-Y1937 HydrophobicContact CG2-CE1 4.29Å; L1924-Y1937 HydrophobicContact CD1-CD1 3.4Å; L1924-Y1937 HydrophobicContact CD1-CE1 3.76Å; L1924-Y1937 HydrophobicContact CD1-CG 4.31Å; Y1937-V1946 HydrophobicContact CD1-CG1 4.1Å; Y1937-V1946 HydrophobicContact CD1-CG2 4.24Å; Y1937-M1951 VanDerWaalsContact CB-SD 3.56Å; Y1937-M1951 HydrophobicContact CD1-SD 4.39Å; Y1937-M1951 HydrophobicContact CD2-CE 3.62Å; Y1937-M1951 HydrophobicContact CD2-SD 3.42Å; Y1937-M1951 WeakPolarHBondContact CD2-SD 3.39Å; Y1937-M1951 HydrophobicContact CE2-CE 4.47Å; Y1937-M1951 HydrophobicContact CE2-SD 4.17Å; Y1937-M1951 HydrophobicContact CG-CE 4.18Å; Y1937-M1951 HydrophobicContact CG-SD 3.55Å; Y1937-M1951 VanDerWaalsContact CG-SD 3.55Å; Y1937-E1954 HydrophobicContact CE2-CB 4.33Å; Y1937-E1954 VanDerWaalsContact OH-CB 3.23Å; Y1937-E1954 WeakPolarHBondContact OH-CB 3.26Å; Y1937-E1954 WeakPolarHBondContact OH-CG 3.36Å; Y1937-E1954 PolarHBondContact OH-OE1 3.21Å; Y1937-V1956 HydrophobicContact CD2-CG2 4.45Å; Y1937-V1956 HydrophobicContact CE2-CB 4.2Å; Y1937-V1956 HydrophobicContact CE2-CG2 3.69Å
1938I72.1Confident67.9Low27 Ų2761.2 Ų61.214%0.13831%0.311CS..  trans-113.4119.5179.2-63.3170.1000108.3Y1920 P1936 L2027 K2028 L2031Y1920-I1938 WeakPolarHBondContact CE1-O 3.45Å; Y1920-I1938 PolarHBondContact OH-O 2.94Å; P1936-I1938 HydrophobicContact CG-CD1 4.26Å; P1936-I1938 HydrophobicContact CG-CG1 4.47Å; P1936-I1938 PolarHBondContact O-N 2.99Å; I1938-L2027 HydrophobicContact CD1-CB 4.19Å; I1938-L2027 HydrophobicContact CD1-CD2 4.23Å; I1938-L2027 HydrophobicContact CD1-CG 4.13Å; I1938-K2028 HydrophobicContact CD1-CB 3.8Å; I1938-K2028 HydrophobicContact CD1-CG 4.44Å; I1938-L2031 HydrophobicContact CB-CD1 3.83Å; I1938-L2031 HydrophobicContact CD1-CD1 4.5Å; I1938-L2031 HydrophobicContact CG2-CD1 3.89Å
1939S66.8Low66.4Low76 Ų7665.6 Ų65.653%0.53134%0.341SS..  trans-91.2139176.256.50000111.4L1944S1939-L1944 WeakPolarHBondContact CA-O 3.4Å
1940V58.4Low65.2Low25 Ų2566.8 Ų66.815%0.15235%0.347CS..BIsolated β-bridgetrans-124.4123-178.6-174.10000109.3N1942 L1944 M1945 L2031V1940-N1942 PolarHBondContact O-N 2.96Å; V1940-L1944 HydrophobicContact CB-CB 4.3Å; V1940-L1944 PolarHBondContact N-O 3.37Å; V1940-L1944 PolarHBondContact O-N 3.15Å; V1940-L1944 VanDerWaalsContact O-N 3.15Å; V1940-M1945 VanDerWaalsContact C-CE 3.48Å; V1940-M1945 WeakPolarHBondContact O-CE 3.31Å; V1940-L2031 HydrophobicContact CG2-CB 4.12Å; V1940-L2031 HydrophobicContact CG2-CD1 4.5Å
1941H47.3Very low64.2Low165 Ų16570.1 Ų70.176%0.76436%0.363SS*.THydrogen-bonded Turntrans-49.1135.9-168-96.336.4000113.9Q1943H1941-Q1943 VanDerWaalsContact C-N 3.27Å; H1941-Q1943 PolarHBondContact O-N 3.34Å; H1941-Q1943 VanDerWaalsContact O-N 3.15Å
1942N52.2Low63.3Low153 Ų15376.8 Ų76.882%0.81839%0.394SS*.THydrogen-bonded Turntrans66.7-4.7171.4-56.8-8.5000118.3V1940V1940-N1942 PolarHBondContact O-N 2.96Å
1943Q57Low62.7Low133 Ų13384.3 Ų84.362%0.62142%0.421SS*.THydrogen-bonded Turntrans-137.9-30.5176.7-70.8-173.7-23.300115.6H1941 I2041H1941-Q1943 VanDerWaalsContact C-N 3.27Å; H1941-Q1943 PolarHBondContact O-N 3.34Å; H1941-Q1943 VanDerWaalsContact O-N 3.15Å; Q1943-I2041 VanDerWaalsContact OE1-CD1 3.27Å
1944L57.6Low62.3Low9 Ų978.2 Ų78.25%0.04740%0.398CS..BIsolated β-bridgetrans-126.279.2-178.2-59.9173.6000110.2Y1920 S1939 V1940 L2031 L2040 L2044Y1920-L1944 HydrophobicContact CD1-CB 4.44Å; Y1920-L1944 HydrophobicContact CD2-CD2 4.26Å; Y1920-L1944 HydrophobicContact CE1-CB 4.31Å; Y1920-L1944 HydrophobicContact CE2-CD1 4.21Å; Y1920-L1944 HydrophobicContact CG-CD2 4.35Å; S1939-L1944 WeakPolarHBondContact CA-O 3.4Å; V1940-L1944 HydrophobicContact CB-CB 4.3Å; V1940-L1944 PolarHBondContact N-O 3.37Å; V1940-L1944 PolarHBondContact O-N 3.15Å; V1940-L1944 VanDerWaalsContact O-N 3.15Å; L1944-L2031 HydrophobicContact CD1-CD2 4.42Å; L1944-L2040 HydrophobicContact CD1-CD2 3.8Å; L1944-L2040 HydrophobicContact CD2-CD2 4.23Å; L1944-L2044 HydrophobicContact CD2-CD1 3.58Å
1945M56.4Low61.7Low98 Ų9877.5 Ų77.548%0.48341%0.406SS..  trans-92.6149.1173.2-65.2-67.898.600110.8V1940V1940-M1945 VanDerWaalsContact C-CE 3.48Å; V1940-M1945 WeakPolarHBondContact O-CE 3.31Å
1946V57.6Low61.4Low24 Ų2478.3 Ų78.315%0.14541%0.411CS..  trans-125125.2168.2178.40000105.4Y1920 I1921 Y1937 M1951Y1920-V1946 HydrophobicContact CD1-CG2 3.69Å; Y1920-V1946 HydrophobicContact CE1-CG2 3.81Å; I1921-V1946 HydrophobicContact CD1-CG1 4.45Å; Y1937-V1946 HydrophobicContact CD1-CG1 4.1Å; Y1937-V1946 HydrophobicContact CD1-CG2 4.24Å; V1946-M1951 HydrophobicContact CG1-SD 4.44Å
1947D56.2Low61.1Low121 Ų12180.2 Ų80.265%0.64742%0.423SS*.  trans-70.9133.5177.7-76-33.7000109.8C1949 D1950D1947-C1949 PolarHBondContact O-N 2.81Å; D1947-D1950 PolarHBondContact O-N 3.32Å
1948L56.9Low60.6Low151 Ų15188.2 Ų88.279%0.79146%0.461SS*.THydrogen-bonded Turntrans-57.7-27.9-172.4-71.3167.9000113.2M1951L1948-M1951 WeakPolarHBondContact O-CB 3.48Å; L1948-M1951 WeakPolarHBondContact O-CG 3.27Å; L1948-M1951 PolarHBondContact O-N 2.94Å
1949C51.1Low60.1Low92 Ų9294.5 Ų94.562%0.62250%0.495SS*.THydrogen-bonded Turntrans-68.4-30.2177.6-56.40000113.5D1947 M1951 Y1953D1947-C1949 PolarHBondContact O-N 2.81Å; C1949-M1951 PolarHBondContact O-N 2.7Å; C1949-Y1953 WeakPolarHBondContact O-CD2 3.45Å
1950D57.1Low60.1Low26 Ų2692.2 Ų92.214%0.13948%0.479CS..Hα-helixtrans-72.3-17.5-179.4-81.3-16.5000112.4K1917 I1921 D1947 E1952 E1954K1917-D1950 IonicContact NZ-OD1 2.77Å; K1917-D1950 PolarHBondContact NZ-OD1 2.72Å; I1921-D1950 HydrophobicContact CD1-CB 4.16Å; D1947-D1950 PolarHBondContact O-N 3.32Å; D1950-E1952 PolarHBondContact O-N 2.86Å; D1950-E1954 WeakPolarHBondContact O-CG 3.45Å
1951M58.7Low60.6Low70 Ų7095 Ų9535%0.34550%0.498SS..Hα-helixtrans-60-42.8176.6-64.3-71.3-58.600112.9Y1937 V1946 L1948 C1949 E1954Y1937-M1951 VanDerWaalsContact CB-SD 3.56Å; Y1937-M1951 HydrophobicContact CD1-SD 4.39Å; Y1937-M1951 HydrophobicContact CD2-CE 3.62Å; Y1937-M1951 HydrophobicContact CD2-SD 3.42Å; Y1937-M1951 WeakPolarHBondContact CD2-SD 3.39Å; Y1937-M1951 HydrophobicContact CE2-CE 4.47Å; Y1937-M1951 HydrophobicContact CE2-SD 4.17Å; Y1937-M1951 HydrophobicContact CG-CE 4.18Å; Y1937-M1951 HydrophobicContact CG-SD 3.55Å; Y1937-M1951 VanDerWaalsContact CG-SD 3.55Å; V1946-M1951 HydrophobicContact CG1-SD 4.44Å; L1948-M1951 WeakPolarHBondContact O-CB 3.48Å; L1948-M1951 WeakPolarHBondContact O-CG 3.27Å; L1948-M1951 PolarHBondContact O-N 2.94Å; C1949-M1951 PolarHBondContact O-N 2.7Å; M1951-E1954 PolarHBondContact O-N 3.08Å
1952E59.2Low61.8Low175 Ų17589.5 Ų89.582%0.81847%0.474SS*.Hα-helixtrans-73.6-33.1-173.6-62.2-171156.400111.7D1950 E1954D1950-E1952 PolarHBondContact O-N 2.86Å; E1952-E1954 VanDerWaalsContact C-N 3.26Å; E1952-E1954 PolarHBondContact O-N 2.57Å
1953Y62.7Low62.8Low167 Ų16785.5 Ų85.566%0.65545%0.453SS*.Hα-helixtrans-71-15.9177.6-74.9-78.6000114.1T1804 C1949T1804-Y1953 WeakPolarHBondContact CG2-O 3.49Å; C1949-Y1953 WeakPolarHBondContact O-CD2 3.45Å
1954E71.3Confident63.8Low10 Ų1082.9 Ų82.95%0.04745%0.447CS..Hα-helixtrans-98.6-12.2-174-71.8-85-144.600114T1804 Q1805 S1806 I1921 R1925 Y1937 D1950 M1951 E1952 V1956T1804-E1954 VanDerWaalsContact CA-OE2 3.3Å; T1804-E1954 WeakPolarHBondContact CA-OE2 3.47Å; Q1805-E1954 HydrophobicContact CB-CB 4.36Å; Q1805-E1954 PolarHBondContact N-O 3.02Å; Q1805-E1954 PolarHBondContact N-OE2 3.24Å; S1806-E1954 PolarHBondContact N-O 3.49Å; S1806-E1954 PolarHBondContact OG-O 3.34Å; I1921-E1954 WeakPolarHBondContact CG2-OE1 3.5Å; R1925-E1954 IonicContact CZ-OE1 3.55Å; R1925-E1954 VanDerWaalsContact CZ-OE1 3.25Å; R1925-E1954 IonicContact CZ-OE2 3.78Å; R1925-E1954 IonicContact NE-OE1 3.67Å; R1925-E1954 PolarHBondContact NE-OE1 3.48Å; R1925-E1954 IonicContact NE-OE2 2.57Å; R1925-E1954 PolarHBondContact NE-OE2 2.89Å; R1925-E1954 IonicContact NH2-OE1 2.68Å; R1925-E1954 PolarHBondContact NH2-OE1 3.04Å; R1925-E1954 IonicContact NH2-OE2 3.74Å; R1925-E1954 PolarHBondContact NH2-OE2 3.35Å; Y1937-E1954 HydrophobicContact CE2-CB 4.33Å; Y1937-E1954 VanDerWaalsContact OH-CB 3.23Å; Y1937-E1954 WeakPolarHBondContact OH-CB 3.26Å; Y1937-E1954 WeakPolarHBondContact OH-CG 3.36Å; Y1937-E1954 PolarHBondContact OH-OE1 3.21Å; D1950-E1954 WeakPolarHBondContact O-CG 3.45Å; M1951-E1954 PolarHBondContact O-N 3.08Å; E1952-E1954 VanDerWaalsContact C-N 3.26Å; E1952-E1954 PolarHBondContact O-N 2.57Å; E1954-V1956 PolarHBondContact O-N 3.26Å
1955G67.8Low64.8Low41 Ų4182.7 Ų82.742%0.42345%0.446SS..THydrogen-bonded Turntrans70.525.2173.400000115.3S1806S1806-G1955 WeakPolarHBondContact CB-O 3.4Å
1956V71Confident66Low24 Ų2480 Ų8015%0.14544%0.436CS..  trans-81.2130.3-179.2177.50000111.4Q1805 H1934 Y1937 E1954Q1805-V1956 HydrophobicContact CB-CG2 3.97Å; Q1805-V1956 HydrophobicContact CG-CG2 4.13Å; H1934-V1956 HydrophobicContact CB-CG1 4.46Å; Y1937-V1956 HydrophobicContact CD2-CG2 4.45Å; Y1937-V1956 HydrophobicContact CE2-CB 4.2Å; Y1937-V1956 HydrophobicContact CE2-CG2 3.69Å; E1954-V1956 PolarHBondContact O-N 3.26Å
1957P70.8Confident67Low67 Ų6780.6 Ų80.644%0.43544%0.437SS..  trans-60.4136.7177-25.234.6000113.3H1934 N1959 C1960H1934-P1957 WeakPolarHBondContact ND1-CD 3.09Å; P1957-N1959 PolarHBondContact O-N 2.88Å; P1957-N1959 VanDerWaalsContact O-N 3.13Å; P1957-C1960 PolarHBondContact O-N 3.2Å
1958Q65Low68.1Low198 Ų19880.6 Ų80.693%0.92543%0.433SS*.SBendtrans-58.1-29.3-175.1-67.6-179.9-10.800114.5
1959N61.5Low69.2Low159 Ų15973.5 Ų73.585%0.8540%0.395SS*.SBendtrans-110.466.4179.2-72.4-31.3000111.1P1957P1957-N1959 PolarHBondContact O-N 2.88Å; P1957-N1959 VanDerWaalsContact O-N 3.13Å
1960C66.8Low70.6Confident29 Ų2969.1 Ų69.120%0.19637%0.366CS..  trans-86.6127.2177.2-167.90000111.5H1934 P1936 P1957H1934-C1960 VanDerWaalsContact CB-SG 3.58Å; H1934-C1960 PolarHBondContact O-SG 3.33Å; H1934-C1960 VanDerWaalsContact O-SG 3.41Å; P1936-C1960 HydrophobicContact CB-CB 4.27Å; P1957-C1960 PolarHBondContact O-N 3.2Å
1961P68.4Low71.7Confident84 Ų8470.5 Ų70.555%0.54537%0.372SS..  trans-70.8147.9175.829.6-34.3000112.1D1963P1961-D1963 PolarHBondContact O-N 2.93Å
1962D72Confident72.7Confident49 Ų4970.3 Ų70.326%0.26237%0.369SS..  trans-98.576.1175.7-17637.7000109.3P1936 T2026 L2027 K2028P1936-D1962 HydrophobicContact CG-CB 4.28Å; D1962-T2026 WeakPolarHBondContact O-CB 3.34Å; D1962-T2026 WeakPolarHBondContact O-CG2 3.33Å; D1962-T2026 WeakPolarHBondContact OD1-CB 3.27Å; D1962-T2026 WeakPolarHBondContact OD2-CB 3.35Å; D1962-T2026 PolarHBondContact OD2-OG1 2.71Å; D1962-L2027 WeakPolarHBondContact OD1-CB 3.42Å; D1962-L2027 PolarHBondContact OD1-N 2.72Å; D1962-K2028 PolarHBondContact OD1-N 3.49Å; D1962-K2028 WeakPolarHBondContact OD2-CB 3.45Å; D1962-K2028 PolarHBondContact OD2-N 2.87Å
1963D73.8Confident73.7Confident68 Ų6862 Ų6236%0.36433%0.33SS..PPolyproline II helixtrans-71.5156.3-179.5-82.3-10.2000112.5R1933 P1961 T2026R1933-D1963 IonicContact CZ-OD2 2.74Å; R1933-D1963 IonicContact NH1-OD2 3.52Å; R1933-D1963 PolarHBondContact NH1-OD2 2.89Å; P1961-D1963 PolarHBondContact O-N 2.93Å; D1963-T2026 WeakPolarHBondContact O-CA 3.41Å
1964P77Confident74.4Confident79 Ų7954 Ų5451%0.51330%0.299SS..BIsolated β-bridgetrans-69.2132.6175.628.7-34.7000112.4
1965I79.5Confident74.5Confident5 Ų554.8 Ų54.83%0.02631%0.305CS..PPolyproline II helixtrans-93.2133.9-176.3-58.3166.3000110.4L1927 L1931 L1970 F2015 S2025 L2027 L2030L1927-I1965 HydrophobicContact CD1-CD1 4.22Å; L1927-I1965 HydrophobicContact CD1-CG2 3.99Å; L1927-I1965 HydrophobicContact CD2-CD1 3.89Å; L1931-I1965 HydrophobicContact CD1-CG1 4.35Å; I1965-L1970 HydrophobicContact CB-CD1 4.14Å; I1965-L1970 HydrophobicContact CG2-CD1 3.55Å; I1965-L1970 HydrophobicContact CG2-CG 3.8Å; I1965-F2015 WeakPolarHBondContact O-CE1 3.43Å; I1965-F2015 WeakPolarHBondContact O-CZ 3.34Å; I1965-S2025 PolarHBondContact N-O 3.3Å; I1965-S2025 PolarHBondContact N-OG 3.36Å; I1965-S2025 PolarHBondContact O-OG 3.45Å; I1965-L2027 HydrophobicContact CD1-CB 3.91Å; I1965-L2027 HydrophobicContact CD1-CD1 4.23Å; I1965-L2030 HydrophobicContact CB-CD1 4.4Å; I1965-L2030 HydrophobicContact CD1-CD1 4Å
1966P80.7Confident74.7Confident40 Ų4053.6 Ų53.626%0.2629%0.288SS..PPolyproline II helixtrans-69.9138.6171.9-20.934000113.7E1968 I1969 L1970P1966-E1968 VanDerWaalsContact C-N 3.31Å; P1966-E1968 PolarHBondContact O-N 2.86Å; P1966-I1969 HydrophobicContact CB-CD1 4.34Å; P1966-I1969 HydrophobicContact CB-CG1 4.43Å; P1966-I1969 HydrophobicContact CG-CD1 4.02Å; P1966-I1969 PolarHBondContact O-N 3.34Å; P1966-L1970 PolarHBondContact O-N 2.64Å
1967K80Confident74.5Confident37 Ų3753.2 Ų53.216%0.16129%0.289CS..Hα-helixtrans-56.7-42179-166.3-121.6-177-168.30112.9I1969 L1970 E1971 S2008 L2011 Q2012 F2015K1967-I1969 VanDerWaalsContact C-N 3.3Å; K1967-I1969 PolarHBondContact O-N 2.93Å; K1967-L1970 PolarHBondContact O-N 3.5Å; K1967-E1971 VanDerWaalsContact CE-OE2 3.26Å; K1967-E1971 WeakPolarHBondContact CE-OE2 3.28Å; K1967-E1971 IonicContact NZ-OE2 3.51Å; K1967-E1971 PolarHBondContact NZ-OE2 3.14Å; K1967-E1971 WeakPolarHBondContact O-CB 3.33Å; K1967-E1971 PolarHBondContact O-N 3.49Å; K1967-S2008 WeakPolarHBondContact CE-O 3.21Å; K1967-S2008 PolarHBondContact NZ-O 3.48Å; K1967-S2008 PolarHBondContact NZ-OG 3.44Å; K1967-L2011 HydrophobicContact CG-CB 4.41Å; K1967-Q2012 VanDerWaalsContact CE-OE1 3.23Å; K1967-F2015 HydrophobicContact CB-CD1 4.12Å; K1967-F2015 HydrophobicContact CB-CD2 4.17Å; K1967-F2015 HydrophobicContact CB-CE1 3.98Å; K1967-F2015 HydrophobicContact CB-CE2 4.03Å; K1967-F2015 HydrophobicContact CB-CG 4.21Å; K1967-F2015 HydrophobicContact CB-CZ 3.94Å; K1967-F2015 HydrophobicContact CG-CD1 4.48Å; K1967-F2015 HydrophobicContact CG-CD2 3.78Å; K1967-F2015 HydrophobicContact CG-CE2 3.95Å; K1967-F2015 HydrophobicContact CG-CG 4.06Å; K1967-F2015 HydrophobicContact CG-CZ 4.38Å
1968E78.4Confident74.4Confident122 Ų12250.5 Ų50.557%0.5727%0.271SS*.Hα-helixtrans-58.8-37.8-179-59.3174.6173.300113L1828 P1966 K1972L1828-E1968 HydrophobicContact CD1-CB 3.7Å; P1966-E1968 VanDerWaalsContact C-N 3.31Å; P1966-E1968 PolarHBondContact O-N 2.86Å; E1968-K1972 WeakPolarHBondContact O-CB 3.37Å; E1968-K1972 PolarHBondContact O-N 3.23Å
1969I80.5Confident74.2Confident1 Ų141.3 Ų41.31%0.00523%0.228CC..Hα-helixtrans-71.3-45.8178.8-68.1176.1000109.9L1828 L1927 L1930 L1931 P1966 K1967 E1971 K1972 I1973L1828-I1969 HydrophobicContact CD1-CG1 3.83Å; L1828-I1969 HydrophobicContact CD2-CG1 4.28Å; L1828-I1969 HydrophobicContact CG-CG1 4.01Å; L1927-I1969 HydrophobicContact CD1-CG2 4.44Å; L1930-I1969 HydrophobicContact CB-CG2 3.75Å; L1930-I1969 HydrophobicContact CD1-CG2 4.36Å; L1931-I1969 HydrophobicContact CD2-CD1 3.86Å; P1966-I1969 HydrophobicContact CB-CD1 4.34Å; P1966-I1969 HydrophobicContact CB-CG1 4.43Å; P1966-I1969 HydrophobicContact CG-CD1 4.02Å; P1966-I1969 PolarHBondContact O-N 3.34Å; K1967-I1969 VanDerWaalsContact C-N 3.3Å; K1967-I1969 PolarHBondContact O-N 2.93Å; I1969-E1971 VanDerWaalsContact C-N 3.33Å; I1969-E1971 PolarHBondContact O-N 2.74Å; I1969-K1972 PolarHBondContact O-N 3Å; I1969-I1973 HydrophobicContact CG2-CD1 3.69Å; I1969-I1973 HydrophobicContact CG2-CG1 4.5Å; I1969-I1973 WeakPolarHBondContact O-CB 3.38Å; I1969-I1973 WeakPolarHBondContact O-CD1 3.49Å; I1969-I1973 VanDerWaalsContact O-CG1 3.22Å; I1969-I1973 WeakPolarHBondContact O-CG1 3.18Å; I1969-I1973 PolarHBondContact O-N 2.72Å
1970L80.3Confident74.2Confident0 Ų036.4 Ų36.40%020%0.202CC..Hα-helixtrans-62.6-38.7175.2-88.4162000112.5F1923 I1965 P1966 K1967 I1973 L1974 F2015 L2030 F2036F1923-L1970 HydrophobicContact CE2-CD2 4.15Å; F1923-L1970 HydrophobicContact CZ-CD2 3.98Å; I1965-L1970 HydrophobicContact CB-CD1 4.14Å; I1965-L1970 HydrophobicContact CG2-CD1 3.55Å; I1965-L1970 HydrophobicContact CG2-CG 3.8Å; P1966-L1970 PolarHBondContact O-N 2.64Å; K1967-L1970 PolarHBondContact O-N 3.5Å; L1970-I1973 PolarHBondContact O-N 3.28Å; L1970-L1974 HydrophobicContact CB-CD1 4.44Å; L1970-L1974 HydrophobicContact CD2-CD1 4.15Å; L1970-L1974 VanDerWaalsContact O-CB 3.31Å; L1970-L1974 WeakPolarHBondContact O-CB 3.2Å; L1970-L1974 WeakPolarHBondContact O-CD1 3.5Å; L1970-L1974 VanDerWaalsContact O-CG 3.27Å; L1970-L1974 WeakPolarHBondContact O-CG 3.45Å; L1970-L1974 PolarHBondContact O-N 3.23Å; L1970-F2015 HydrophobicContact CD1-CE2 3.87Å; L1970-F2015 HydrophobicContact CD1-CZ 3.88Å; L1970-L2030 HydrophobicContact CD1-CD1 3.7Å; L1970-F2036 HydrophobicContact CD1-CE2 4.45Å; L1970-F2036 HydrophobicContact CD2-CE2 4.11Å; L1970-F2036 HydrophobicContact CD2-CZ 3.91Å
1971E80.5Confident73.5Confident56 Ų5638.9 Ų38.926%0.26222%0.216SC..Hα-helixtrans-64.7-42.5176-171.3170.3153.800111.8K1967 I1969 S1975 S2008 L2011K1967-E1971 VanDerWaalsContact CE-OE2 3.26Å; K1967-E1971 WeakPolarHBondContact CE-OE2 3.28Å; K1967-E1971 IonicContact NZ-OE2 3.51Å; K1967-E1971 PolarHBondContact NZ-OE2 3.14Å; K1967-E1971 WeakPolarHBondContact O-CB 3.33Å; K1967-E1971 PolarHBondContact O-N 3.49Å; I1969-E1971 VanDerWaalsContact C-N 3.33Å; I1969-E1971 PolarHBondContact O-N 2.74Å; E1971-S1975 WeakPolarHBondContact O-CB 3.39Å; E1971-S1975 PolarHBondContact O-N 3.06Å; E1971-S1975 VanDerWaalsContact O-N 3.08Å; E1971-S1975 PolarHBondContact O-OG 3.44Å; E1971-S2008 VanDerWaalsContact CD-CB 3.49Å; E1971-S2008 WeakPolarHBondContact OE1-CB 3.35Å; E1971-S2008 PolarHBondContact OE1-OG 2.95Å; E1971-S2008 PolarHBondContact OE2-OG 3.17Å; E1971-L2011 HydrophobicContact CB-CD1 3.82Å; E1971-L2011 HydrophobicContact CG-CD1 4.3Å
1972K79.4Confident72.6Confident65 Ų6540.4 Ų40.428%0.28322%0.219SC..Hα-helixtrans-66.8-33.9174.5-178.459177.1173.10113.2L1828 D1906 L1909 L1930 E1968 I1969 S1975L1828-K1972 HydrophobicContact CD2-CB 3.78Å; L1828-K1972 HydrophobicContact CD2-CG 3.71Å; D1906-K1972 WeakPolarHBondContact OD1-CE 3.47Å; D1906-K1972 IonicContact OD1-NZ 2.72Å; D1906-K1972 PolarHBondContact OD1-NZ 3.19Å; L1909-K1972 HydrophobicContact CD1-CG 4.26Å; L1930-K1972 HydrophobicContact CD1-CG 4.22Å; E1968-K1972 WeakPolarHBondContact O-CB 3.37Å; E1968-K1972 PolarHBondContact O-N 3.23Å; I1969-K1972 PolarHBondContact O-N 3Å; K1972-S1975 PolarHBondContact O-OG 3.28Å
1973I80Confident71.4Confident0 Ų044 Ų440%024%0.235CC..Hα-helixtrans-70.3-52.8174.8-71163.2000110.1L1909 F1923 C1926 L1927 L1930 I1969 L1970 S1975 F1976 F2047L1909-I1973 HydrophobicContact CD2-CG1 4.11Å; F1923-I1973 HydrophobicContact CD2-CG2 3.79Å; F1923-I1973 HydrophobicContact CE2-CG2 3.8Å; C1926-I1973 HydrophobicContact CB-CG1 4.32Å; C1926-I1973 HydrophobicContact CB-CG2 4.13Å; L1927-I1973 HydrophobicContact CB-CD1 4.11Å; L1927-I1973 HydrophobicContact CD1-CD1 3.67Å; L1930-I1973 HydrophobicContact CD1-CD1 4.38Å; L1930-I1973 HydrophobicContact CD1-CG1 3.87Å; I1969-I1973 HydrophobicContact CG2-CD1 3.69Å; I1969-I1973 HydrophobicContact CG2-CG1 4.5Å; I1969-I1973 WeakPolarHBondContact O-CB 3.38Å; I1969-I1973 WeakPolarHBondContact O-CD1 3.49Å; I1969-I1973 VanDerWaalsContact O-CG1 3.22Å; I1969-I1973 WeakPolarHBondContact O-CG1 3.18Å; I1969-I1973 PolarHBondContact O-N 2.72Å; L1970-I1973 PolarHBondContact O-N 3.28Å; I1973-S1975 PolarHBondContact O-N 2.66Å; I1973-F1976 WeakPolarHBondContact O-CB 3.26Å; I1973-F1976 PolarHBondContact O-N 3.11Å; I1973-F2047 HydrophobicContact CG2-CE1 3.72Å; I1973-F2047 HydrophobicContact CG2-CE2 4.5Å; I1973-F2047 HydrophobicContact CG2-CZ 3.47Å; I1973-F2047 VanDerWaalsContact CG2-CZ 3.47Å; I1973-F2047 VanDerWaalsContact O-CZ 3.28Å; I1973-F2047 WeakPolarHBondContact O-CZ 3.37Å
1974L76.9Confident69.8Low0 Ų043.9 Ų43.90%024%0.239CC..Hα-helixtrans-72.9-17.4-172.6-67.1161.7000113.3F1923 L1970 I2007 L2011 F2036 L2039 S2043 F2047F1923-L1974 HydrophobicContact CE2-CD2 4.3Å; L1970-L1974 HydrophobicContact CB-CD1 4.44Å; L1970-L1974 HydrophobicContact CD2-CD1 4.15Å; L1970-L1974 VanDerWaalsContact O-CB 3.31Å; L1970-L1974 WeakPolarHBondContact O-CB 3.2Å; L1970-L1974 WeakPolarHBondContact O-CD1 3.5Å; L1970-L1974 VanDerWaalsContact O-CG 3.27Å; L1970-L1974 WeakPolarHBondContact O-CG 3.45Å; L1970-L1974 PolarHBondContact O-N 3.23Å; L1974-I2007 HydrophobicContact CB-CG2 3.79Å; L1974-I2007 WeakPolarHBondContact O-CD1 3.45Å; L1974-L2011 HydrophobicContact CD1-CD1 3.92Å; L1974-L2011 HydrophobicContact CD1-CD2 3.79Å; L1974-L2011 HydrophobicContact CD1-CG 4.3Å; L1974-F2036 HydrophobicContact CD1-CE2 4.36Å; L1974-L2039 HydrophobicContact CD1-CD2 3.7Å; L1974-L2039 HydrophobicContact CD2-CD2 4.01Å; L1974-L2039 HydrophobicContact CG-CD2 4.31Å; L1974-S2043 WeakPolarHBondContact CD2-OG 3.46Å; L1974-F2047 HydrophobicContact CD2-CE2 4.35Å
1975S73.5Confident68.1Low26 Ų2650.1 Ų50.118%0.18225%0.252CS..THydrogen-bonded Turntrans-84.4-1.3167.355.70000114.5E1971 K1972 I1973 L1978E1971-S1975 WeakPolarHBondContact O-CB 3.39Å; E1971-S1975 PolarHBondContact O-N 3.06Å; E1971-S1975 VanDerWaalsContact O-N 3.08Å; E1971-S1975 PolarHBondContact O-OG 3.44Å; K1972-S1975 PolarHBondContact O-OG 3.28Å; I1973-S1975 PolarHBondContact O-N 2.66Å; S1975-L1978 PolarHBondContact O-N 3.12Å
1976F73Confident65.9Low17 Ų1755.7 Ų55.78%0.07529%0.286CS..THydrogen-bonded Turntrans-62.9136.9175.8-177.2-104.3000111.6L1909 N1910 V1913 I1973 L1978 H2046 F2047L1909-F1976 HydrophobicContact CB-CD2 3.68Å; L1909-F1976 HydrophobicContact CB-CE2 3.62Å; L1909-F1976 HydrophobicContact CB-CZ 4.45Å; L1909-F1976 HydrophobicContact CD1-CD2 4Å; L1909-F1976 HydrophobicContact CG-CD2 4.37Å; N1910-F1976 HydrophobicContact CB-CZ 4.49Å; N1910-F1976 WeakPolarHBondContact OD1-CZ 3.02Å; V1913-F1976 HydrophobicContact CG2-CE1 3.91Å; V1913-F1976 HydrophobicContact CG2-CZ 4.4Å; I1973-F1976 WeakPolarHBondContact O-CB 3.26Å; I1973-F1976 PolarHBondContact O-N 3.11Å; F1976-L1978 VanDerWaalsContact C-N 3.28Å; F1976-L1978 PolarHBondContact O-N 3.11Å; F1976-H2046 WeakPolarHBondContact O-CB 3.33Å; F1976-F2047 HydrophobicContact CB-CE1 4.27Å; F1976-F2047 HydrophobicContact CD1-CD1 4.41Å; F1976-F2047 HydrophobicContact CD1-CE1 4.22Å
1977G67Low63.7Low16 Ų1659.4 Ų59.417%0.16531%0.308CS..THydrogen-bonded Turntrans75.26.5-178.900000115.8
1978L67.7Low61.5Low9 Ų966 Ų665%0.04734%0.339CS..BIsolated β-bridgetrans-109.7138.5-179.2-66.4172000112.4S1750 E1752 S1975 F1976 I1980 I2007S1750-L1978 WeakPolarHBondContact O-CD2 3.42Å; E1752-L1978 HydrophobicContact CG-CB 4.06Å; E1752-L1978 HydrophobicContact CG-CD1 4.14Å; S1975-L1978 PolarHBondContact O-N 3.12Å; F1976-L1978 VanDerWaalsContact C-N 3.28Å; F1976-L1978 PolarHBondContact O-N 3.11Å; L1978-I1980 PolarHBondContact O-N 3.16Å; L1978-I2007 HydrophobicContact CD1-CD1 3.5Å; L1978-I2007 VanDerWaalsContact CD1-CD1 3.5Å
1979V62Low59.1Low5 Ų567.7 Ų67.73%0.0335%0.352CS..  trans-87.4100.1179.7-177.70000110.6F1706 L1749 F1751 Y1780 T1981F1706-V1979 HydrophobicContact CD1-CG2 4.5Å; F1706-V1979 HydrophobicContact CG-CG2 4.46Å; L1749-V1979 HydrophobicContact CB-CG2 4.12Å; L1749-V1979 HydrophobicContact CD1-CG2 3.7Å; F1751-V1979 HydrophobicContact CD1-CB 4.02Å; F1751-V1979 HydrophobicContact CD1-CG1 4.45Å; F1751-V1979 HydrophobicContact CE1-CB 4.07Å; F1751-V1979 HydrophobicContact CE1-CG1 4.13Å; Y1780-V1979 HydrophobicContact CD2-CG1 4.31Å; V1979-T1981 PolarHBondContact O-N 3.46Å
1980I60.8Low56.7Low56 Ų5675.2 Ų75.229%0.28739%0.392SS..  trans-73.7107.7177.4-56.5173.6000109.7L1978 N1982 Q1983L1978-I1980 PolarHBondContact O-N 3.16Å; I1980-N1982 PolarHBondContact O-N 2.95Å; I1980-Q1983 PolarHBondContact O-N 3.41Å; I1980-Q1983 VanDerWaalsContact O-N 3.14Å
1981T51.1Low54.4Low81 Ų8183.6 Ų83.650%0.49744%0.436SS..G310 helixtrans-59.3-25.1-168.754.50000115.2V1979 Q1983V1979-T1981 PolarHBondContact O-N 3.46Å; T1981-Q1983 VanDerWaalsContact C-N 3.33Å; T1981-Q1983 PolarHBondContact O-N 3.39Å
1982N51.4Low51.9Low116 Ų11689.7 Ų89.762%0.6246%0.464SS*.G310 helixtrans-69.7-23179.4-73.9-28.1000114.2I1980I1980-N1982 PolarHBondContact O-N 2.95Å
1983Q45.1Very low49.6Very low125 Ų12593.6 Ų93.658%0.58449%0.494SS*.G310 helixtrans-83.2-14.1-174.4-64.3-169.98.400114.2I1980 T1981I1980-Q1983 PolarHBondContact O-N 3.41Å; I1980-Q1983 VanDerWaalsContact O-N 3.14Å; T1981-Q1983 VanDerWaalsContact C-N 3.33Å; T1981-Q1983 PolarHBondContact O-N 3.39Å
1984C41.4Very low47Very low66 Ų6698.8 Ų98.845%0.44653%0.53SS..G310 helixtrans-92.99.4-176-62.70000114.5
1985R39.9Very low44.6Very low210 Ų210107.3 Ų107.379%0.79257%0.57SS**  trans-982.9-169.6-82.1-172.7168.7-172-3.5116.5
1986T34.8Very low42.6Very low121 Ų121112.7 Ų112.774%0.74260%0.602SS**SBendtrans-117.125-16163.10000116.1
1987V33.9Very low40.6Very low118 Ų118118.9 Ų118.972%0.71564%0.635SS**SBendtrans-142.7139.7172.3-165.40000109.3
1988H34.2Very low38.7Very low177 Ų177124.8 Ų124.882%0.81966%0.662SS**  trans73.676-175.1-60-69.4000116.4
1989D28.5Very low37Very low157 Ų157129.4 Ų129.484%0.8470%0.702SS**  trans-68.9169.5132.3-76.4-55.1000110.3
1990D29.8Very low35.4Very low158 Ų158133.5 Ų133.585%0.84573%0.731SS**  trans75.8129.7-179.5-68.4-25.8000119
1991L31.6Very low34Very low176 Ų176139.1 Ų139.192%0.92176%0.756SS**  trans80.3114.9173.3-67.9164.9000118.8
1992E28.5Very low33Very low184 Ų184142 Ų14286%0.8678%0.776SS**  trans-80.7131.4-171.1-51.4163.6122.500112.9
1993T29.9Very low32.2Very low147 Ų147138.9 Ų138.990%0.90277%0.771SS**  trans-169.7104132.711.40000113.3
1994S26.3Very low31.7Very low110 Ų110138.6 Ų138.677%0.76977%0.774SS**  trans-12.3121.8163.5172.10000119.4
1995Q27.1Very low31.9Very low179 Ų179143.1 Ų143.184%0.83679%0.786SS**  162.888.9128.1-90.4-178.720.500114.3
1996V31.1Very low32.9Very low139 Ų139136.8 Ų136.884%0.84277%0.768SS**  trans-145.4142.7139.8-178.40000106.5
1997L29.7Very low34.5Very low146 Ų146132.4 Ų132.476%0.76474%0.739SS**  trans-88.9164.2-173.1-78.386.7000113.9
1998D27.4Very low36.2Very low140 Ų140128.2 Ų128.275%0.74972%0.715SS**  trans-48.5136.1165.6-87.4-83.2000114.5S2000D1998-S2000 WeakPolarHBondContact CB-OG 3.2Å; D1998-S2000 PolarHBondContact OD1-OG 3.49Å
1999A32.3Very low38Very low107 Ų107123.4 Ų123.488%0.88470%0.695SS**  trans-122.161.4157.300000108.8
2000S28.9Very low40Very low91 Ų91120 Ų12064%0.63667%0.673SS**  trans-106.171.1-170.943.90000113D1998D1998-S2000 WeakPolarHBondContact CB-OG 3.2Å; D1998-S2000 PolarHBondContact OD1-OG 3.49Å
2001E31Very low42.2Very low174 Ų174112.5 Ų112.581%0.81363%0.633SS**  trans-115.2141.9162.9-74.6-160.1147.200111.9G2003E2001-G2003 PolarHBondContact O-N 3.12Å
2002P30.5Very low44.4Very low142 Ų142108.4 Ų108.492%0.92261%0.609SS**SBendtrans-84.592.3-173.633.1-34.7000112.4
2003G33.8Very low46.7Very low49 Ų49105 Ų10551%0.50560%0.597SS.*  trans-159.222.6-177.700000117.1E2001 F2005E2001-G2003 PolarHBondContact O-N 3.12Å; G2003-F2005 WeakPolarHBondContact O-CD2 3.33Å; G2003-F2005 PolarHBondContact O-N 2.94Å
2004N35.6Very low49.1Very low120 Ų12098.3 Ų98.364%0.64256%0.556SS**  trans-74.990.8-176.9-70.9-7.7000112.2L2006N2004-L2006 PolarHBondContact O-N 3.26Å
2005F46Very low51.6Low161 Ų16193.8 Ų93.871%0.70652%0.522SS*.  trans-72.5106.6164.1-63.9-84.8000109.5G2003G2003-F2005 WeakPolarHBondContact O-CD2 3.33Å; G2003-F2005 PolarHBondContact O-N 2.94Å
2006L60.1Low54.2Low77 Ų7787.3 Ų87.340%0.40350%0.495SS..  trans-76.1151.9170.4-69.6102.8000110.3N2004 S2008 D2009 K2010N2004-L2006 PolarHBondContact O-N 3.26Å; L2006-S2008 PolarHBondContact O-N 3.08Å; L2006-D2009 WeakPolarHBondContact CB-OD2 3.27Å; L2006-D2009 PolarHBondContact N-OD2 3.08Å; L2006-D2009 PolarHBondContact O-N 3.16Å; L2006-D2009 VanDerWaalsContact O-N 3.09Å; L2006-K2010 PolarHBondContact O-N 2.96Å
2007I67.5Low56.4Low29 Ų2982.4 Ų82.415%0.14947%0.466CS..Hα-helixtrans-59.3-32.4170.5-64.8177.8000110.3L1974 L1978 D2009 K2010 L2011L1974-I2007 HydrophobicContact CB-CG2 3.79Å; L1974-I2007 WeakPolarHBondContact O-CD1 3.45Å; L1978-I2007 HydrophobicContact CD1-CD1 3.5Å; L1978-I2007 VanDerWaalsContact CD1-CD1 3.5Å; I2007-D2009 VanDerWaalsContact C-N 3.31Å; I2007-D2009 PolarHBondContact O-N 3.35Å; I2007-K2010 PolarHBondContact O-N 3.44Å; I2007-L2011 HydrophobicContact CG2-CD1 3.88Å; I2007-L2011 HydrophobicContact CG2-CG 4.28Å; I2007-L2011 WeakPolarHBondContact O-CB 3.22Å; I2007-L2011 WeakPolarHBondContact O-CG 3.25Å; I2007-L2011 PolarHBondContact O-N 3.2Å
2008S69.7Low58.6Low30 Ų3075.7 Ų75.721%0.2143%0.432CS..Hα-helixtrans-54.2-41.6172.7-1620000113.5K1967 E1971 L2006 Q2012K1967-S2008 WeakPolarHBondContact CE-O 3.21Å; K1967-S2008 PolarHBondContact NZ-O 3.48Å; K1967-S2008 PolarHBondContact NZ-OG 3.44Å; E1971-S2008 VanDerWaalsContact CD-CB 3.49Å; E1971-S2008 WeakPolarHBondContact OE1-CB 3.35Å; E1971-S2008 PolarHBondContact OE1-OG 2.95Å; E1971-S2008 PolarHBondContact OE2-OG 3.17Å; L2006-S2008 PolarHBondContact O-N 3.08Å; S2008-Q2012 PolarHBondContact O-N 2.99Å
2009D72.2Confident60.9Low75 Ų7575.3 Ų75.340%0.40143%0.425SS..Hα-helixtrans-71.6-49.4-175.6-53.7-41.8000110.3L2006 I2007 L2011 Q2012 D2013L2006-D2009 WeakPolarHBondContact CB-OD2 3.27Å; L2006-D2009 PolarHBondContact N-OD2 3.08Å; L2006-D2009 PolarHBondContact O-N 3.16Å; L2006-D2009 VanDerWaalsContact O-N 3.09Å; I2007-D2009 VanDerWaalsContact C-N 3.31Å; I2007-D2009 PolarHBondContact O-N 3.35Å; D2009-L2011 VanDerWaalsContact C-N 3.29Å; D2009-L2011 PolarHBondContact O-N 3.45Å; D2009-Q2012 WeakPolarHBondContact O-CA 3.49Å; D2009-Q2012 VanDerWaalsContact O-CB 3.31Å; D2009-Q2012 WeakPolarHBondContact O-CB 3.5Å; D2009-Q2012 PolarHBondContact O-N 2.86Å; D2009-D2013 PolarHBondContact O-N 3.14Å
2010K71.7Confident62.9Low86 Ų8676.8 Ų76.837%0.37442%0.418SS..Hα-helixtrans-63.1-35.1176.7-70.2-174.6178.8177.50112.3L2006 I2007 Q2012 D2013 I2014 L2039L2006-K2010 PolarHBondContact O-N 2.96Å; I2007-K2010 PolarHBondContact O-N 3.44Å; K2010-Q2012 VanDerWaalsContact C-N 3.34Å; K2010-D2013 PolarHBondContact O-N 3.35Å; K2010-I2014 WeakPolarHBondContact O-CB 3.47Å; K2010-I2014 WeakPolarHBondContact O-CD1 3.5Å; K2010-I2014 VanDerWaalsContact O-CG1 3.23Å; K2010-I2014 WeakPolarHBondContact O-CG1 3.35Å; K2010-I2014 PolarHBondContact O-N 3.01Å; K2010-L2039 HydrophobicContact CB-CD1 3.6Å; K2010-L2039 HydrophobicContact CD-CD1 4.06Å; K2010-L2039 HydrophobicContact CG-CD1 4.5Å
2011L74.2Confident64.9Low0 Ų078.1 Ų78.10%042%0.418CS..Hα-helixtrans-67.2-34.8171.6-75.6173.6000112K1967 E1971 L1974 I2007 D2009 I2014 F2015 F2036K1967-L2011 HydrophobicContact CG-CB 4.41Å; E1971-L2011 HydrophobicContact CB-CD1 3.82Å; E1971-L2011 HydrophobicContact CG-CD1 4.3Å; L1974-L2011 HydrophobicContact CD1-CD1 3.92Å; L1974-L2011 HydrophobicContact CD1-CD2 3.79Å; L1974-L2011 HydrophobicContact CD1-CG 4.3Å; I2007-L2011 HydrophobicContact CG2-CD1 3.88Å; I2007-L2011 HydrophobicContact CG2-CG 4.28Å; I2007-L2011 WeakPolarHBondContact O-CB 3.22Å; I2007-L2011 WeakPolarHBondContact O-CG 3.25Å; I2007-L2011 PolarHBondContact O-N 3.2Å; D2009-L2011 VanDerWaalsContact C-N 3.29Å; D2009-L2011 PolarHBondContact O-N 3.45Å; L2011-I2014 PolarHBondContact O-N 3.12Å; L2011-F2015 WeakPolarHBondContact O-CB 3.21Å; L2011-F2015 WeakPolarHBondContact O-CD2 3.3Å; L2011-F2015 PolarHBondContact O-N 3.3Å; L2011-F2036 HydrophobicContact CD2-CD2 4.42Å; L2011-F2036 HydrophobicContact CD2-CE2 4.25Å
2012Q78.9Confident66.7Low90 Ų9073 Ų7342%0.42141%0.413SS..Hα-helixtrans-65.7-42.9173.6-162.564.334.800111.5K1967 S2008 D2009 K2010 T2016K1967-Q2012 VanDerWaalsContact CE-OE1 3.23Å; S2008-Q2012 PolarHBondContact O-N 2.99Å; D2009-Q2012 WeakPolarHBondContact O-CA 3.49Å; D2009-Q2012 VanDerWaalsContact O-CB 3.31Å; D2009-Q2012 WeakPolarHBondContact O-CB 3.5Å; D2009-Q2012 PolarHBondContact O-N 2.86Å; K2010-Q2012 VanDerWaalsContact C-N 3.34Å; Q2012-T2016 WeakPolarHBondContact O-CB 3.23Å; Q2012-T2016 VanDerWaalsContact O-CG2 3.3Å; Q2012-T2016 WeakPolarHBondContact O-CG2 3.21Å; Q2012-T2016 PolarHBondContact O-N 3.19Å; Q2012-T2016 PolarHBondContact O-OG1 3.03Å
2013D77.3Confident68.6Low112 Ų11270.8 Ų70.860%0.59939%0.39SS*.Hα-helixtrans-61.4-43.3173.6-72.5-23.6000111.6D2009 K2010 T2016 S2017D2009-D2013 PolarHBondContact O-N 3.14Å; K2010-D2013 PolarHBondContact O-N 3.35Å; D2013-T2016 PolarHBondContact O-OG1 2.98Å; D2013-S2017 VanDerWaalsContact O-CB 3.29Å; D2013-S2017 WeakPolarHBondContact O-CB 3.47Å; D2013-S2017 PolarHBondContact O-N 3.06Å
2014I79Confident70.4Confident8 Ų872 Ų724%0.04139%0.389CS..Hα-helixtrans-66.4-48.3178.2-71.8162.1000111.5K2010 L2011 S2017 L2018 L2030 D2035 F2036 L2039K2010-I2014 WeakPolarHBondContact O-CB 3.47Å; K2010-I2014 WeakPolarHBondContact O-CD1 3.5Å; K2010-I2014 VanDerWaalsContact O-CG1 3.23Å; K2010-I2014 WeakPolarHBondContact O-CG1 3.35Å; K2010-I2014 PolarHBondContact O-N 3.01Å; L2011-I2014 PolarHBondContact O-N 3.12Å; I2014-S2017 WeakPolarHBondContact O-CB 3.47Å; I2014-S2017 PolarHBondContact O-N 2.99Å; I2014-S2017 PolarHBondContact O-OG 2.77Å; I2014-L2018 PolarHBondContact O-N 3.34Å; I2014-L2018 VanDerWaalsContact O-N 3.09Å; I2014-L2030 HydrophobicContact CG2-CD2 4.03Å; I2014-D2035 HydrophobicContact CD1-CB 4.5Å; I2014-D2035 HydrophobicContact CG1-CB 4.3Å; I2014-F2036 HydrophobicContact CD1-CB 4.14Å; I2014-F2036 HydrophobicContact CD1-CD2 4.31Å; I2014-F2036 HydrophobicContact CG2-CB 4.09Å; I2014-F2036 HydrophobicContact CG2-CD2 4.17Å; I2014-L2039 HydrophobicContact CD1-CD1 4.17Å
2015F80.3Confident72.2Confident14 Ų1467.5 Ų67.56%0.06137%0.367CS..Hα-helixtrans-62.9-47.3179-93.8-103.1000111.3I1965 K1967 L1970 L2011 S2017 L2018 E2019 L2030I1965-F2015 WeakPolarHBondContact O-CE1 3.43Å; I1965-F2015 WeakPolarHBondContact O-CZ 3.34Å; K1967-F2015 HydrophobicContact CB-CD1 4.12Å; K1967-F2015 HydrophobicContact CB-CD2 4.17Å; K1967-F2015 HydrophobicContact CB-CE1 3.98Å; K1967-F2015 HydrophobicContact CB-CE2 4.03Å; K1967-F2015 HydrophobicContact CB-CG 4.21Å; K1967-F2015 HydrophobicContact CB-CZ 3.94Å; K1967-F2015 HydrophobicContact CG-CD1 4.48Å; K1967-F2015 HydrophobicContact CG-CD2 3.78Å; K1967-F2015 HydrophobicContact CG-CE2 3.95Å; K1967-F2015 HydrophobicContact CG-CG 4.06Å; K1967-F2015 HydrophobicContact CG-CZ 4.38Å; L1970-F2015 HydrophobicContact CD1-CE2 3.87Å; L1970-F2015 HydrophobicContact CD1-CZ 3.88Å; L2011-F2015 WeakPolarHBondContact O-CB 3.21Å; L2011-F2015 WeakPolarHBondContact O-CD2 3.3Å; L2011-F2015 PolarHBondContact O-N 3.3Å; F2015-S2017 PolarHBondContact O-N 2.9Å; F2015-L2018 PolarHBondContact O-N 3.2Å; F2015-E2019 WeakPolarHBondContact O-CG 3.49Å; F2015-E2019 PolarHBondContact O-N 2.77Å; F2015-L2030 HydrophobicContact CE2-CD2 4.26Å
2016T80Confident73.9Confident43 Ų4360.4 Ų60.426%0.26434%0.337SS..Hα-helixtrans-63.7-30.4175.257.60000112Q2012 D2013 N2020Q2012-T2016 WeakPolarHBondContact O-CB 3.23Å; Q2012-T2016 VanDerWaalsContact O-CG2 3.3Å; Q2012-T2016 WeakPolarHBondContact O-CG2 3.21Å; Q2012-T2016 PolarHBondContact O-N 3.19Å; Q2012-T2016 PolarHBondContact O-OG1 3.03Å; D2013-T2016 PolarHBondContact O-OG1 2.98Å; T2016-N2020 VanDerWaalsContact O-CB 3.25Å; T2016-N2020 WeakPolarHBondContact O-CB 3.39Å; T2016-N2020 VanDerWaalsContact O-CG 3.29Å; T2016-N2020 PolarHBondContact O-N 3.43Å; T2016-N2020 PolarHBondContact O-ND2 2.99Å
2017S78.9Confident74.7Confident36 Ų3656.8 Ų56.825%0.25232%0.318SS..Hα-helixtrans-65.3-35.3172.282.40000113.1D2013 I2014 F2015 N2021 N2033D2013-S2017 VanDerWaalsContact O-CB 3.29Å; D2013-S2017 WeakPolarHBondContact O-CB 3.47Å; D2013-S2017 PolarHBondContact O-N 3.06Å; I2014-S2017 WeakPolarHBondContact O-CB 3.47Å; I2014-S2017 PolarHBondContact O-N 2.99Å; I2014-S2017 PolarHBondContact O-OG 2.77Å; F2015-S2017 PolarHBondContact O-N 2.9Å; S2017-N2021 WeakPolarHBondContact O-CB 3.19Å; S2017-N2021 VanDerWaalsContact O-CG 3.29Å; S2017-N2021 PolarHBondContact O-N 3.48Å; S2017-N2021 PolarHBondContact O-ND2 3.34Å; S2017-N2033 PolarHBondContact OG-ND2 3.14Å; S2017-N2033 VanDerWaalsContact OG-ND2 3.1Å
2018L75.3Confident75.2Confident6 Ų660.8 Ų60.83%0.03133%0.334CS..Hα-helixtrans-75.6-42177.1-70.4172.2000111.7I2014 F2015 N2021 G2022 Q2023 N2029 L2030I2014-L2018 PolarHBondContact O-N 3.34Å; I2014-L2018 VanDerWaalsContact O-N 3.09Å; F2015-L2018 PolarHBondContact O-N 3.2Å; L2018-N2021 CarbonylContact O-C 3.59Å; L2018-N2021 PolarHBondContact O-N 2.95Å; L2018-N2021 VanDerWaalsContact O-N 3.11Å; L2018-G2022 PolarHBondContact O-N 3.45Å; L2018-G2022 VanDerWaalsContact O-N 3.1Å; L2018-Q2023 PolarHBondContact O-N 3.15Å; L2018-Q2023 VanDerWaalsContact O-N 3.09Å; L2018-N2029 HydrophobicContact CD2-CB 4.5Å; L2018-L2030 HydrophobicContact CD1-CD2 3.56Å; L2018-L2030 HydrophobicContact CD1-CG 3.86Å
2019E75.6Confident75.7Confident131 Ų13160.8 Ų60.861%0.61233%0.332SS*.Hα-helixtrans-58.9-46.6172.8-70.3173.3173.300111.6F2015 N2021 G2022F2015-E2019 WeakPolarHBondContact O-CG 3.49Å; F2015-E2019 PolarHBondContact O-N 2.77Å; E2019-N2021 PolarHBondContact O-N 3.47Å; E2019-G2022 PolarHBondContact O-N 2.66Å
2020N74.5Confident76Confident138 Ų13857.2 Ų57.274%0.73831%0.313SS*.Hα-helixtrans-63.3-25.5175.6-80-59.3000113.2T2016T2016-N2020 VanDerWaalsContact O-CB 3.25Å; T2016-N2020 WeakPolarHBondContact O-CB 3.39Å; T2016-N2020 VanDerWaalsContact O-CG 3.29Å; T2016-N2020 PolarHBondContact O-N 3.43Å; T2016-N2020 PolarHBondContact O-ND2 2.99Å
2021N70.5Confident76.2Confident119 Ų11953.1 Ų53.164%0.63630%0.295SS*.THydrogen-bonded Turntrans-88.3-1.6173.9-74.6-40.4000113.2S2017 L2018 E2019 Q2023S2017-N2021 WeakPolarHBondContact O-CB 3.19Å; S2017-N2021 VanDerWaalsContact O-CG 3.29Å; S2017-N2021 PolarHBondContact O-N 3.48Å; S2017-N2021 PolarHBondContact O-ND2 3.34Å; L2018-N2021 CarbonylContact O-C 3.59Å; L2018-N2021 PolarHBondContact O-N 2.95Å; L2018-N2021 VanDerWaalsContact O-N 3.11Å; E2019-N2021 PolarHBondContact O-N 3.47Å; N2021-Q2023 VanDerWaalsContact C-N 3.26Å; N2021-Q2023 PolarHBondContact O-N 3.37Å
2022G68.4Low76.3Confident68 Ų6859.1 Ų59.170%0.70132%0.323SS*.THydrogen-bonded Turntrans67.421.3-179.300000114.4L2018 E2019L2018-G2022 PolarHBondContact O-N 3.45Å; L2018-G2022 VanDerWaalsContact O-N 3.1Å; E2019-G2022 PolarHBondContact O-N 2.66Å
2023Q70.5Confident76.2Confident94 Ų9456 Ų5644%0.43931%0.309SS..  trans-101.4132.6179.6-68.9-169.1-22.900110.9L2018 N2021L2018-Q2023 PolarHBondContact O-N 3.15Å; L2018-Q2023 VanDerWaalsContact O-N 3.09Å; N2021-Q2023 VanDerWaalsContact C-N 3.26Å; N2021-Q2023 PolarHBondContact O-N 3.37Å
2024P71.1Confident76.1Confident76 Ų7655.5 Ų55.549%0.49430%0.304SS..  trans-64.6149174.926.5-32.8000110.9T2026 N2029P2024-T2026 HydrophobicContact CB-CG2 3.96Å; P2024-T2026 HydrophobicContact CG-CG2 3.92Å; P2024-T2026 PolarHBondContact O-N 3.02Å; P2024-N2029 PolarHBondContact O-ND2 3.46Å
2025S75.5Confident75.9Confident24 Ų2460.1 Ų60.117%0.16833%0.329CS..  trans-73.839.3-176.459.80000114.3I1965 L2030I1965-S2025 PolarHBondContact N-O 3.3Å; I1965-S2025 PolarHBondContact N-OG 3.36Å; I1965-S2025 PolarHBondContact O-OG 3.45Å; S2025-L2030 WeakPolarHBondContact O-CD1 3.38Å
2026T80.9Confident75.9Confident12 Ų1259.5 Ų59.57%0.07433%0.326CS..BIsolated β-bridgetrans-71.4159.5177.983.40000110.7D1962 D1963 P2024 K2028 N2029 L2030D1962-T2026 WeakPolarHBondContact O-CB 3.34Å; D1962-T2026 WeakPolarHBondContact O-CG2 3.33Å; D1962-T2026 WeakPolarHBondContact OD1-CB 3.27Å; D1962-T2026 WeakPolarHBondContact OD2-CB 3.35Å; D1962-T2026 PolarHBondContact OD2-OG1 2.71Å; D1963-T2026 WeakPolarHBondContact O-CA 3.41Å; P2024-T2026 HydrophobicContact CB-CG2 3.96Å; P2024-T2026 HydrophobicContact CG-CG2 3.92Å; P2024-T2026 PolarHBondContact O-N 3.02Å; T2026-K2028 PolarHBondContact O-N 2.72Å; T2026-N2029 PolarHBondContact O-N 3.39Å; T2026-N2029 VanDerWaalsContact O-N 3.16Å; T2026-L2030 PolarHBondContact O-N 3.19Å
2027L76.8Confident75.8Confident2 Ų258.5 Ų58.51%0.0132%0.318CS..Hα-helixtrans-60.1-38.4-176.9-177.560.3000111F1923 L1924 L1927 V1935 I1938 D1962 I1965 N2029 L2030 L2031F1923-L2027 HydrophobicContact CE1-CD1 4.36Å; L1924-L2027 HydrophobicContact CD2-CD2 3.61Å; L1927-L2027 HydrophobicContact CD2-CD1 3.94Å; L1927-L2027 HydrophobicContact CD2-CD2 4.36Å; V1935-L2027 HydrophobicContact CG1-CD2 3.47Å; V1935-L2027 VanDerWaalsContact CG1-CD2 3.47Å; I1938-L2027 HydrophobicContact CD1-CB 4.19Å; I1938-L2027 HydrophobicContact CD1-CD2 4.23Å; I1938-L2027 HydrophobicContact CD1-CG 4.13Å; D1962-L2027 WeakPolarHBondContact OD1-CB 3.42Å; D1962-L2027 PolarHBondContact OD1-N 2.72Å; I1965-L2027 HydrophobicContact CD1-CB 3.91Å; I1965-L2027 HydrophobicContact CD1-CD1 4.23Å; L2027-N2029 PolarHBondContact O-N 3.13Å; L2027-L2030 PolarHBondContact O-N 2.91Å; L2027-L2031 HydrophobicContact CD1-CD1 3.87Å; L2027-L2031 HydrophobicContact CD1-CG 3.92Å; L2027-L2031 HydrophobicContact CD2-CD1 4.27Å; L2027-L2031 HydrophobicContact CG-CD1 3.69Å; L2027-L2031 HydrophobicContact CG-CG 4.18Å; L2027-L2031 VanDerWaalsContact O-CB 3.3Å; L2027-L2031 WeakPolarHBondContact O-CB 3.19Å; L2027-L2031 VanDerWaalsContact O-CG 3.26Å; L2027-L2031 WeakPolarHBondContact O-CG 3.47Å; L2027-L2031 PolarHBondContact O-N 3.12Å
2028K78.8Confident75.6Confident112 Ų11260.8 Ų60.849%0.48733%0.328SS..Hα-helixtrans-60-45.1177.3-169.3174.7-178.1175.10112.6I1938 D1962 T2026 L2031 H2032I1938-K2028 HydrophobicContact CD1-CB 3.8Å; I1938-K2028 HydrophobicContact CD1-CG 4.44Å; D1962-K2028 PolarHBondContact OD1-N 3.49Å; D1962-K2028 WeakPolarHBondContact OD2-CB 3.45Å; D1962-K2028 PolarHBondContact OD2-N 2.87Å; T2026-K2028 PolarHBondContact O-N 2.72Å; K2028-L2031 PolarHBondContact O-N 2.93Å; K2028-H2032 PolarHBondContact O-N 3.34Å; K2028-H2032 VanDerWaalsContact O-N 3.08Å; K2028-H2032 PolarHBondContact O-ND1 3.05Å
2029N79.4Confident75.7Confident31 Ų3161.3 Ų61.317%0.16633%0.331CS..Hα-helixtrans-73.1-39.5-177.2-64.4-23.5000111.5L2018 P2024 T2026 L2027 H2032 N2033L2018-N2029 HydrophobicContact CD2-CB 4.5Å; P2024-N2029 PolarHBondContact O-ND2 3.46Å; T2026-N2029 PolarHBondContact O-N 3.39Å; T2026-N2029 VanDerWaalsContact O-N 3.16Å; L2027-N2029 PolarHBondContact O-N 3.13Å; N2029-H2032 PolarHBondContact O-N 3.27Å; N2029-N2033 PolarHBondContact O-N 3.27Å
2030L77.8Confident75.7Confident0 Ų055.1 Ų55.10%030%0.302CS..Hα-helixtrans-58-49.8170.7-78159.4000111.2I1965 L1970 I2014 F2015 L2018 S2025 T2026 L2027 H2032 N2033 F2036I1965-L2030 HydrophobicContact CB-CD1 4.4Å; I1965-L2030 HydrophobicContact CD1-CD1 4Å; L1970-L2030 HydrophobicContact CD1-CD1 3.7Å; I2014-L2030 HydrophobicContact CG2-CD2 4.03Å; F2015-L2030 HydrophobicContact CE2-CD2 4.26Å; L2018-L2030 HydrophobicContact CD1-CD2 3.56Å; L2018-L2030 HydrophobicContact CD1-CG 3.86Å; S2025-L2030 WeakPolarHBondContact O-CD1 3.38Å; T2026-L2030 PolarHBondContact O-N 3.19Å; L2027-L2030 PolarHBondContact O-N 2.91Å; L2030-H2032 PolarHBondContact O-N 3.1Å; L2030-N2033 WeakPolarHBondContact O-CB 3.48Å; L2030-N2033 PolarHBondContact O-N 3.42Å; L2030-F2036 HydrophobicContact CB-CD1 3.9Å; L2030-F2036 HydrophobicContact CB-CE1 3.9Å; L2030-F2036 HydrophobicContact CB-CG 4.25Å; L2030-F2036 HydrophobicContact CB-CZ 4.25Å; L2030-F2036 HydrophobicContact CD2-CD2 3.86Å; L2030-F2036 HydrophobicContact CD2-CE2 4.01Å; L2030-F2036 HydrophobicContact CD2-CG 4.18Å; L2030-F2036 HydrophobicContact CD2-CZ 4.45Å; L2030-F2036 WeakPolarHBondContact O-CB 3.44Å; L2030-F2036 VanDerWaalsContact O-CD1 3.28Å; L2030-F2036 WeakPolarHBondContact O-CD1 3.47Å
2031L75.6Confident75.9Confident0 Ų051.7 Ų51.70%028%0.283CS..Hα-helixtrans-67-17.4178.1-72.1173.3000114.5Y1920 I1938 V1940 L1944 L2027 K2028 F2036 Q2037 L2040Y1920-L2031 HydrophobicContact CE2-CD2 4.31Å; Y1920-L2031 WeakPolarHBondContact OH-CD1 3.3Å; I1938-L2031 HydrophobicContact CB-CD1 3.83Å; I1938-L2031 HydrophobicContact CD1-CD1 4.5Å; I1938-L2031 HydrophobicContact CG2-CD1 3.89Å; V1940-L2031 HydrophobicContact CG2-CB 4.12Å; V1940-L2031 HydrophobicContact CG2-CD1 4.5Å; L1944-L2031 HydrophobicContact CD1-CD2 4.42Å; L2027-L2031 HydrophobicContact CD1-CD1 3.87Å; L2027-L2031 HydrophobicContact CD1-CG 3.92Å; L2027-L2031 HydrophobicContact CD2-CD1 4.27Å; L2027-L2031 HydrophobicContact CG-CD1 3.69Å; L2027-L2031 HydrophobicContact CG-CG 4.18Å; L2027-L2031 VanDerWaalsContact O-CB 3.3Å; L2027-L2031 WeakPolarHBondContact O-CB 3.19Å; L2027-L2031 VanDerWaalsContact O-CG 3.26Å; L2027-L2031 WeakPolarHBondContact O-CG 3.47Å; L2027-L2031 PolarHBondContact O-N 3.12Å; K2028-L2031 PolarHBondContact O-N 2.93Å; L2031-F2036 HydrophobicContact CD2-CE1 4.27Å; L2031-Q2037 WeakPolarHBondContact O-CG 3.31Å; L2031-Q2037 PolarHBondContact O-NE2 3.49Å; L2031-L2040 HydrophobicContact CD2-CD1 4.21Å
2032H77.1Confident75.9Confident126 Ų12648.5 Ų48.558%0.58327%0.27SS*.Hα-helixtrans-85.5-11.9171.4-78.766.6000113.1K2028 N2029 L2030K2028-H2032 PolarHBondContact O-N 3.34Å; K2028-H2032 VanDerWaalsContact O-N 3.08Å; K2028-H2032 PolarHBondContact O-ND1 3.05Å; N2029-H2032 PolarHBondContact O-N 3.27Å; L2030-H2032 PolarHBondContact O-N 3.1Å
2033N77.5Confident76.1Confident25 Ų2545.4 Ų45.413%0.13424%0.238CC..  trans-83118175.1-172.1-24000110.3S2017 N2029 L2030 D2035 F2036 Q2037S2017-N2033 PolarHBondContact OG-ND2 3.14Å; S2017-N2033 VanDerWaalsContact OG-ND2 3.1Å; N2029-N2033 PolarHBondContact O-N 3.27Å; L2030-N2033 WeakPolarHBondContact O-CB 3.48Å; L2030-N2033 PolarHBondContact O-N 3.42Å; N2033-D2035 VanDerWaalsContact C-N 3.27Å; N2033-D2035 PolarHBondContact O-N 3.01Å; N2033-D2035 PolarHBondContact OD1-N 2.9Å; N2033-D2035 VanDerWaalsContact OD1-N 3.08Å; N2033-F2036 HydrophobicContact CB-CB 4.13Å; N2033-F2036 PolarHBondContact O-N 2.96Å; N2033-F2036 VanDerWaalsContact O-N 3.15Å; N2033-Q2037 PolarHBondContact O-N 2.89Å
2034M75.5Confident76.3Confident100 Ų10042 Ų4249%0.49322%0.222SC..Hα-helixtrans-58.2-35.8-178.8-77.1-57.1-37.600113.4F2036 Q2037 N2038M2034-F2036 VanDerWaalsContact C-N 3.33Å; M2034-Q2037 HydrophobicContact CE-CB 4.44Å; M2034-Q2037 PolarHBondContact O-N 3.07Å; M2034-Q2037 PolarHBondContact SD-OE1 3.37Å; M2034-Q2037 VanDerWaalsContact SD-OE1 3.4Å; M2034-N2038 WeakPolarHBondContact O-CB 3.32Å; M2034-N2038 PolarHBondContact O-N 2.98Å; M2034-N2038 PolarHBondContact O-ND2 3.07Å; M2034-N2038 VanDerWaalsContact O-ND2 3.07Å
2035D74.8Confident76.3Confident106 Ų10641.9 Ų41.957%0.56723%0.228SC*.Hα-helixtrans-73.6-30.5-178.3-64.8-41.2000111.4I2014 N2033 L2039I2014-D2035 HydrophobicContact CD1-CB 4.5Å; I2014-D2035 HydrophobicContact CG1-CB 4.3Å; N2033-D2035 VanDerWaalsContact C-N 3.27Å; N2033-D2035 PolarHBondContact O-N 3.01Å; N2033-D2035 PolarHBondContact OD1-N 2.9Å; N2033-D2035 VanDerWaalsContact OD1-N 3.08Å; D2035-L2039 VanDerWaalsContact O-CB 3.31Å; D2035-L2039 WeakPolarHBondContact O-CB 3.39Å; D2035-L2039 PolarHBondContact O-N 3.41Å
2036F80.5Confident76Confident0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-71.6-40.2168.4-172.7-97.3000112.2F1923 L1970 L1974 L2011 I2014 L2030 L2031 N2033 M2034 N2038 L2039 L2040F1923-F2036 HydrophobicContact CZ-CZ 4.38Å; L1970-F2036 HydrophobicContact CD1-CE2 4.45Å; L1970-F2036 HydrophobicContact CD2-CE2 4.11Å; L1970-F2036 HydrophobicContact CD2-CZ 3.91Å; L1974-F2036 HydrophobicContact CD1-CE2 4.36Å; L2011-F2036 HydrophobicContact CD2-CD2 4.42Å; L2011-F2036 HydrophobicContact CD2-CE2 4.25Å; I2014-F2036 HydrophobicContact CD1-CB 4.14Å; I2014-F2036 HydrophobicContact CD1-CD2 4.31Å; I2014-F2036 HydrophobicContact CG2-CB 4.09Å; I2014-F2036 HydrophobicContact CG2-CD2 4.17Å; L2030-F2036 HydrophobicContact CB-CD1 3.9Å; L2030-F2036 HydrophobicContact CB-CE1 3.9Å; L2030-F2036 HydrophobicContact CB-CG 4.25Å; L2030-F2036 HydrophobicContact CB-CZ 4.25Å; L2030-F2036 HydrophobicContact CD2-CD2 3.86Å; L2030-F2036 HydrophobicContact CD2-CE2 4.01Å; L2030-F2036 HydrophobicContact CD2-CG 4.18Å; L2030-F2036 HydrophobicContact CD2-CZ 4.45Å; L2030-F2036 WeakPolarHBondContact O-CB 3.44Å; L2030-F2036 VanDerWaalsContact O-CD1 3.28Å; L2030-F2036 WeakPolarHBondContact O-CD1 3.47Å; L2031-F2036 HydrophobicContact CD2-CE1 4.27Å; N2033-F2036 HydrophobicContact CB-CB 4.13Å; N2033-F2036 PolarHBondContact O-N 2.96Å; N2033-F2036 VanDerWaalsContact O-N 3.15Å; M2034-F2036 VanDerWaalsContact C-N 3.33Å; F2036-N2038 PolarHBondContact O-N 3.07Å; F2036-L2039 PolarHBondContact O-N 3.36Å; F2036-L2040 HydrophobicContact CE1-CB 4.47Å; F2036-L2040 HydrophobicContact CE1-CD1 3.79Å; F2036-L2040 HydrophobicContact CZ-CD1 4.21Å; F2036-L2040 WeakPolarHBondContact O-CB 3.38Å; F2036-L2040 PolarHBondContact O-N 3.4Å
2037Q76.7Confident75.6Confident22 Ų2241.7 Ų41.710%0.10322%0.223CC..Hα-helixtrans-58.1-48.3172.2-69.8-179.915.900111.3L2031 N2033 M2034 L2039 L2040 I2041L2031-Q2037 WeakPolarHBondContact O-CG 3.31Å; L2031-Q2037 PolarHBondContact O-NE2 3.49Å; N2033-Q2037 PolarHBondContact O-N 2.89Å; M2034-Q2037 HydrophobicContact CE-CB 4.44Å; M2034-Q2037 PolarHBondContact O-N 3.07Å; M2034-Q2037 PolarHBondContact SD-OE1 3.37Å; M2034-Q2037 VanDerWaalsContact SD-OE1 3.4Å; Q2037-L2039 PolarHBondContact O-N 3.32Å; Q2037-L2040 PolarHBondContact O-N 3.21Å; Q2037-I2041 WeakPolarHBondContact O-CB 3.39Å; Q2037-I2041 WeakPolarHBondContact O-CD1 3.36Å; Q2037-I2041 WeakPolarHBondContact O-CG1 3.05Å; Q2037-I2041 PolarHBondContact O-N 2.82Å
2038N74Confident75.2Confident85 Ų8549 Ų4946%0.45526%0.255SS..Hα-helixtrans-61.1-44.6179.2-70.7-34.9000111.7M2034 F2036 S2042M2034-N2038 WeakPolarHBondContact O-CB 3.32Å; M2034-N2038 PolarHBondContact O-N 2.98Å; M2034-N2038 PolarHBondContact O-ND2 3.07Å; M2034-N2038 VanDerWaalsContact O-ND2 3.07Å; F2036-N2038 PolarHBondContact O-N 3.07Å; N2038-S2042 PolarHBondContact O-N 3.07Å
2039L77.5Confident74.6Confident17 Ų1744.5 Ų44.59%0.08924%0.241CC..Hα-helixtrans-64.6-46.4176.8-170.9151000111.2L1974 K2010 I2014 D2035 F2036 Q2037 S2042 S2043L1974-L2039 HydrophobicContact CD1-CD2 3.7Å; L1974-L2039 HydrophobicContact CD2-CD2 4.01Å; L1974-L2039 HydrophobicContact CG-CD2 4.31Å; K2010-L2039 HydrophobicContact CB-CD1 3.6Å; K2010-L2039 HydrophobicContact CD-CD1 4.06Å; K2010-L2039 HydrophobicContact CG-CD1 4.5Å; I2014-L2039 HydrophobicContact CD1-CD1 4.17Å; D2035-L2039 VanDerWaalsContact O-CB 3.31Å; D2035-L2039 WeakPolarHBondContact O-CB 3.39Å; D2035-L2039 PolarHBondContact O-N 3.41Å; F2036-L2039 PolarHBondContact O-N 3.36Å; Q2037-L2039 PolarHBondContact O-N 3.32Å; L2039-S2042 PolarHBondContact O-N 2.98Å; L2039-S2042 PolarHBondContact O-OG 3.4Å; L2039-S2043 PolarHBondContact O-N 3.47Å
2040L77.2Confident73.9Confident0 Ų043.8 Ų43.80%024%0.237CC..Hα-helixtrans-59.6-49.6177.1-177.2142.7000110.9Y1920 F1923 L1944 L2031 F2036 Q2037 S2042 S2043 L2044Y1920-L2040 HydrophobicContact CD2-CD2 4.3Å; Y1920-L2040 HydrophobicContact CE2-CD2 4.47Å; F1923-L2040 HydrophobicContact CD1-CD1 3.94Å; F1923-L2040 HydrophobicContact CD2-CD1 4.4Å; F1923-L2040 HydrophobicContact CE1-CD1 3.61Å; F1923-L2040 HydrophobicContact CE2-CD1 4.1Å; F1923-L2040 HydrophobicContact CG-CD1 4.33Å; F1923-L2040 HydrophobicContact CZ-CD1 3.7Å; L1944-L2040 HydrophobicContact CD1-CD2 3.8Å; L1944-L2040 HydrophobicContact CD2-CD2 4.23Å; L2031-L2040 HydrophobicContact CD2-CD1 4.21Å; F2036-L2040 HydrophobicContact CE1-CB 4.47Å; F2036-L2040 HydrophobicContact CE1-CD1 3.79Å; F2036-L2040 HydrophobicContact CZ-CD1 4.21Å; F2036-L2040 WeakPolarHBondContact O-CB 3.38Å; F2036-L2040 PolarHBondContact O-N 3.4Å; Q2037-L2040 PolarHBondContact O-N 3.21Å; L2040-S2042 VanDerWaalsContact C-N 3.29Å; L2040-S2042 PolarHBondContact O-N 2.98Å; L2040-S2043 WeakPolarHBondContact CA-OG 3.42Å; L2040-S2043 CarbonylContact O-C 3.48Å; L2040-S2043 WeakPolarHBondContact O-CA 3.37Å; L2040-S2043 PolarHBondContact O-N 3.16Å; L2040-S2043 PolarHBondContact O-OG 3.4Å; L2040-L2044 HydrophobicContact CD2-CD1 3.8Å; L2040-L2044 HydrophobicContact CD2-CD2 4.01Å; L2040-L2044 HydrophobicContact CD2-CG 3.8Å; L2040-L2044 HydrophobicContact CG-CG 4.46Å; L2040-L2044 WeakPolarHBondContact O-CG 3.4Å; L2040-L2044 PolarHBondContact O-N 3.45Å
2041I77.8Confident72.8Confident66 Ų6645.7 Ų45.734%0.33825%0.252SS..Hα-helixtrans-56.9-41.4176.6-70.5163.9000111.4Q1943 Q2037 S2043 L2044Q1943-I2041 VanDerWaalsContact OE1-CD1 3.27Å; Q2037-I2041 WeakPolarHBondContact O-CB 3.39Å; Q2037-I2041 WeakPolarHBondContact O-CD1 3.36Å; Q2037-I2041 WeakPolarHBondContact O-CG1 3.05Å; Q2037-I2041 PolarHBondContact O-N 2.82Å; I2041-S2043 VanDerWaalsContact C-N 3.27Å; I2041-S2043 PolarHBondContact O-N 2.85Å; I2041-L2044 PolarHBondContact O-N 2.98Å
2042S71.7Confident71.9Confident53 Ų5350 Ų5037%0.37127%0.272SS..Hα-helixtrans-65.6-28.8174.975.30000113.5N2038 L2039 L2040N2038-S2042 PolarHBondContact O-N 3.07Å; L2039-S2042 PolarHBondContact O-N 2.98Å; L2039-S2042 PolarHBondContact O-OG 3.4Å; L2040-S2042 VanDerWaalsContact C-N 3.29Å; L2040-S2042 PolarHBondContact O-N 2.98Å
2043S72.2Confident70.9Confident3 Ų346.9 Ų46.92%0.02126%0.258CS..Hα-helixtrans-88.3-17.8177.8750000114.7L1974 L2039 L2040 I2041 A2045 H2046 F2047L1974-S2043 WeakPolarHBondContact CD2-OG 3.46Å; L2039-S2043 PolarHBondContact O-N 3.47Å; L2040-S2043 WeakPolarHBondContact CA-OG 3.42Å; L2040-S2043 CarbonylContact O-C 3.48Å; L2040-S2043 WeakPolarHBondContact O-CA 3.37Å; L2040-S2043 PolarHBondContact O-N 3.16Å; L2040-S2043 PolarHBondContact O-OG 3.4Å; I2041-S2043 VanDerWaalsContact C-N 3.27Å; I2041-S2043 PolarHBondContact O-N 2.85Å; S2043-A2045 PolarHBondContact O-N 3.45Å; S2043-H2046 WeakPolarHBondContact O-CB 3.11Å; S2043-H2046 PolarHBondContact O-N 2.73Å; S2043-H2046 PolarHBondContact O-ND1 3.26Å; S2043-F2047 WeakPolarHBondContact O-CD2 3.15Å
2044L73.2Confident69.5Low21 Ų2150.4 Ų50.411%0.1128%0.284CS..G310 helixtrans-60.3-21.5-176.8-80.1-176.9000113.5P1919 F1923 L1944 L2040 I2041 H2046 F2047 K2048P1919-L2044 HydrophobicContact CB-CB 4.26Å; P1919-L2044 HydrophobicContact CB-CD2 4.27Å; P1919-L2044 WeakPolarHBondContact CB-O 3.35Å; P1919-L2044 HydrophobicContact CG-CB 4.44Å; F1923-L2044 HydrophobicContact CB-CD2 4.25Å; L1944-L2044 HydrophobicContact CD2-CD1 3.58Å; L2040-L2044 HydrophobicContact CD2-CD1 3.8Å; L2040-L2044 HydrophobicContact CD2-CD2 4.01Å; L2040-L2044 HydrophobicContact CD2-CG 3.8Å; L2040-L2044 HydrophobicContact CG-CG 4.46Å; L2040-L2044 WeakPolarHBondContact O-CG 3.4Å; L2040-L2044 PolarHBondContact O-N 3.45Å; I2041-L2044 PolarHBondContact O-N 2.98Å; L2044-H2046 PolarHBondContact O-N 3.02Å; L2044-F2047 HydrophobicContact CD2-CD2 4.33Å; L2044-F2047 PolarHBondContact O-N 3.49Å; L2044-K2048 PolarHBondContact O-N 3.1Å
2045A71Confident68.3Low74 Ų7450.3 Ų50.361%0.61228%0.282SS*.G310 helixtrans-57.6-31.9170.300000113.1S2043S2043-A2045 PolarHBondContact O-N 3.45Å
2046H69.6Low67.2Low33 Ų3346.4 Ų46.415%0.15326%0.263CS..G310 helixtrans-82.1-20.9-178-44.9143.7000113.4F1976 S2043 L2044F1976-H2046 WeakPolarHBondContact O-CB 3.33Å; S2043-H2046 WeakPolarHBondContact O-CB 3.11Å; S2043-H2046 PolarHBondContact O-N 2.73Å; S2043-H2046 PolarHBondContact O-ND1 3.26Å; L2044-H2046 PolarHBondContact O-N 3.02Å
2047F72.4Confident65.8Low0 Ų049.2 Ų49.20%027%0.273CS..G310 helixtrans-96.14177.6-55.6-69.9000113.3P1919 F1923 C1926 I1973 L1974 F1976 S2043 L2044 G2049P1919-F2047 WeakPolarHBondContact CA-O 3.4Å; P1919-F2047 HydrophobicContact CB-CB 4.4Å; P1919-F2047 VanDerWaalsContact O-CB 3.25Å; P1919-F2047 WeakPolarHBondContact O-CB 3.4Å; F1923-F2047 HydrophobicContact CB-CB 4.41Å; F1923-F2047 HydrophobicContact CB-CD1 4.45Å; F1923-F2047 HydrophobicContact CB-CD2 4Å; F1923-F2047 HydrophobicContact CB-CE2 4.44Å; F1923-F2047 HydrophobicContact CB-CG 4.02Å; F1923-F2047 HydrophobicContact CD2-CD2 4.34Å; F1923-F2047 AromaticContact CD2-CE2 3.94Å; F1923-F2047 HydrophobicContact CD2-CE2 3.94Å; F1923-F2047 HydrophobicContact CD2-CZ 4.1Å; C1926-F2047 HydrophobicContact CB-CE1 4.31Å; I1973-F2047 HydrophobicContact CG2-CE1 3.72Å; I1973-F2047 HydrophobicContact CG2-CE2 4.5Å; I1973-F2047 HydrophobicContact CG2-CZ 3.47Å; I1973-F2047 VanDerWaalsContact CG2-CZ 3.47Å; I1973-F2047 VanDerWaalsContact O-CZ 3.28Å; I1973-F2047 WeakPolarHBondContact O-CZ 3.37Å; L1974-F2047 HydrophobicContact CD2-CE2 4.35Å; F1976-F2047 HydrophobicContact CB-CE1 4.27Å; F1976-F2047 HydrophobicContact CD1-CD1 4.41Å; F1976-F2047 HydrophobicContact CD1-CE1 4.22Å; S2043-F2047 WeakPolarHBondContact O-CD2 3.15Å; L2044-F2047 HydrophobicContact CD2-CD2 4.33Å; L2044-F2047 PolarHBondContact O-N 3.49Å; F2047-G2049 PolarHBondContact O-N 3.25Å
2048K69.1Low64.5Low154 Ų15450.8 Ų50.867%0.6728%0.282SS*.SBendtrans-60.9129.6172.1-174176-178.81780109V1913 P1919 L2044 I2050V1913-K2048 WeakPolarHBondContact CG1-O 3.26Å; P1919-K2048 HydrophobicContact CB-CB 4.45Å; L2044-K2048 PolarHBondContact O-N 3.1Å; K2048-I2050 PolarHBondContact O-N 3.14Å
2049G66.3Low63.2Low19 Ų1948.9 Ų48.920%0.19627%0.273CS..PPolyproline II helixtrans-50.6136.1-17500000112.7V1913 F2047 A2051V1913-G2049 WeakPolarHBondContact O-CA 3.5Å; F2047-G2049 PolarHBondContact O-N 3.25Å; G2049-A2051 PolarHBondContact O-N 3.48Å; G2049-A2051 VanDerWaalsContact O-N 3.16Å
2050I63.8Low61.7Low15 Ų1550.5 Ų50.58%0.07729%0.289CS..PPolyproline II helixtrans-54.1123.5-176.6-58.1-179.9000108.6Y1747 A1789 V1913 I1914 K2048 Q2052Y1747-I2050 HydrophobicContact CE1-CG2 4.26Å; A1789-I2050 HydrophobicContact CB-CG2 3.65Å; V1913-I2050 HydrophobicContact CB-CG1 4.36Å; V1913-I2050 HydrophobicContact CG1-CG1 4.13Å; V1913-I2050 PolarHBondContact O-N 3.41Å; V1913-I2050 VanDerWaalsContact O-N 3.13Å; I1914-I2050 HydrophobicContact CG1-CD1 4.3Å; K2048-I2050 PolarHBondContact O-N 3.14Å; I2050-Q2052 PolarHBondContact O-N 3.3Å
2051A55.8Low60.3Low40 Ų4052.2 Ų52.233%0.33130%0.298SS..  trans-61.1103.7-166.900000111.7Y1747 G2049Y1747-A2051 PolarHBondContact OH-O 2.7Å; G2049-A2051 PolarHBondContact O-N 3.48Å; G2049-A2051 VanDerWaalsContact O-N 3.16Å
2052Q55.5Low58.8Low90 Ų9054.5 Ų54.542%0.42131%0.308SS..  trans-59.1143.9-177.2-67.8172.7-18.900111.8I2050 S2054I2050-Q2052 PolarHBondContact O-N 3.3Å; Q2052-S2054 PolarHBondContact O-N 3.06Å; Q2052-S2054 VanDerWaalsContact O-N 3.07Å
2053F57.9Low57.6Low62 Ų6255 Ų5527%0.27231%0.308SS..  trans-74.682.2151.2-62.2-84.6000106.3L1743 F1786 A1789 P1793 E2055L1743-F2053 HydrophobicContact CD2-CE1 4.03Å; L1743-F2053 HydrophobicContact CD2-CZ 4.14Å; F1786-F2053 HydrophobicContact CE2-CZ 4.31Å; A1789-F2053 HydrophobicContact CB-CE2 4.17Å; P1793-F2053 HydrophobicContact CG-CB 4.35Å; F2053-E2055 PolarHBondContact O-N 3.06Å
2054S47.6Very low56.3Low98 Ų9862 Ų6269%0.68534%0.335SS*.  trans-70.8-14.3-165.754.10000114.8Q2052Q2052-S2054 PolarHBondContact O-N 3.06Å; Q2052-S2054 VanDerWaalsContact O-N 3.07Å
2055E49.8Very low55.1Low99 Ų9968.5 Ų68.546%0.46336%0.363SS..SBendtrans-144.2161.7175.6-68.7-170.5154.800108.5F2053 W2057 T2059F2053-E2055 PolarHBondContact O-N 3.06Å; E2055-W2057 PolarHBondContact O-N 3.36Å; E2055-T2059 VanDerWaalsContact OE2-CB 3.28Å; E2055-T2059 WeakPolarHBondContact OE2-CB 3.32Å; E2055-T2059 WeakPolarHBondContact OE2-CG2 3.47Å
2056P51.8Low53.8Low24 Ų2470.7 Ų70.716%0.15636%0.364CS..  trans-50.4134.116518.3-30.9000111.3Q1684 I2058 T2059Q1684-P2056 HydrophobicContact CB-CB 3.88Å; Q1684-P2056 HydrophobicContact CG-CB 3.76Å; Q1684-P2056 HydrophobicContact CG-CG 4.39Å; P2056-I2058 PolarHBondContact O-N 3.19Å; P2056-T2059 PolarHBondContact O-N 2.65Å
2057W50.6Low52.3Low59 Ų5974.7 Ų74.722%0.22339%0.387CS..Hα-helixtrans-40.3-28.2170.654.7-40000115.9P1683 Q1684 R1723 L1727 E2055 L2061P1683-W2057 PolarHBondContact O-NE1 2.92Å; Q1684-W2057 PolarHBondContact O-NE1 3.17Å; R1723-W2057 HydrophobicContact CB-CH2 3.57Å; R1723-W2057 HydrophobicContact CB-CZ3 3.61Å; R1723-W2057 HydrophobicContact CG-CH2 4.3Å; R1723-W2057 WeakPolarHBondContact O-CH2 3.45Å; R1723-W2057 WeakPolarHBondContact O-CZ3 3.49Å; L1727-W2057 HydrophobicContact CB-CH2 4.41Å; L1727-W2057 HydrophobicContact CD1-CD2 3.55Å; L1727-W2057 HydrophobicContact CD1-CE3 3.83Å; L1727-W2057 HydrophobicContact CD1-CG 4.27Å; L1727-W2057 HydrophobicContact CD1-CH2 3.47Å; L1727-W2057 VanDerWaalsContact CD1-CH2 3.47Å; L1727-W2057 HydrophobicContact CD1-CZ2 3.19Å; L1727-W2057 HydrophobicContact CD1-CZ3 3.77Å; L1727-W2057 HydrophobicContact CD2-CZ2 4.35Å; L1727-W2057 HydrophobicContact CG-CH2 3.57Å; L1727-W2057 HydrophobicContact CG-CZ2 3.57Å; L1727-W2057 HydrophobicContact CG-CZ3 4.16Å; E2055-W2057 PolarHBondContact O-N 3.36Å; W2057-L2061 WeakPolarHBondContact O-CD1 3.11Å; W2057-L2061 VanDerWaalsContact O-CG 3.28Å; W2057-L2061 WeakPolarHBondContact O-CG 3.42Å; W2057-L2061 PolarHBondContact O-N 3.41Å
2058I49.9Very low50.6Low55 Ų5578.5 Ų78.528%0.28241%0.414SS..Hα-helixtrans-58.1-51.3170.9-63.5163.3000112.1L1727 P2056 A2060 L2061 Q2062L1727-I2058 HydrophobicContact CD1-CD1 3.94Å; L1727-I2058 HydrophobicContact CD1-CG1 3.49Å; L1727-I2058 VanDerWaalsContact CD1-CG1 3.49Å; L1727-I2058 HydrophobicContact CD2-CD1 4.4Å; P2056-I2058 PolarHBondContact O-N 3.19Å; I2058-A2060 PolarHBondContact O-N 3.38Å; I2058-L2061 WeakPolarHBondContact O-CB 3.21Å; I2058-L2061 PolarHBondContact O-N 3.35Å; I2058-L2061 VanDerWaalsContact O-N 3.13Å; I2058-Q2062 PolarHBondContact O-N 3.24Å; I2058-Q2062 VanDerWaalsContact O-N 3.1Å
2059T47.2Very low49Very low44 Ų4479.8 Ų79.827%0.2742%0.419SS..Hα-helixtrans-71.4-33.8-174.1-37.90000111.5E2055 P2056 L2061 Q2062 T2063E2055-T2059 VanDerWaalsContact OE2-CB 3.28Å; E2055-T2059 WeakPolarHBondContact OE2-CB 3.32Å; E2055-T2059 WeakPolarHBondContact OE2-CG2 3.47Å; P2056-T2059 PolarHBondContact O-N 2.65Å; T2059-L2061 PolarHBondContact O-N 3.04Å; T2059-Q2062 PolarHBondContact O-N 2.98Å; T2059-T2063 PolarHBondContact O-N 3.12Å; T2059-T2063 PolarHBondContact O-OG1 3.3Å
2060A46.4Very low47.1Very low51 Ų5189.4 Ų89.442%0.42145%0.451SS..Hα-helixtrans-62.9-22.4172.200000113.5I2058 T2063I2058-A2060 PolarHBondContact O-N 3.38Å; A2060-T2063 WeakPolarHBondContact CA-OG1 3.4Å; A2060-T2063 PolarHBondContact O-OG1 3.3Å
2061L47.2Very low45.4Very low37 Ų3799.7 Ų99.719%0.19451%0.506CS..Hα-helixtrans-88-37.1173-64.4161.3000111.7F1724 T1728 L1739 W2057 I2058 T2059 Y2064 F2065F1724-L2061 HydrophobicContact CD1-CD1 4.38Å; F1724-L2061 HydrophobicContact CE1-CD1 3.55Å; F1724-L2061 HydrophobicContact CE1-CD2 3.69Å; F1724-L2061 HydrophobicContact CE1-CG 4.23Å; F1724-L2061 HydrophobicContact CZ-CD1 4.26Å; F1724-L2061 HydrophobicContact CZ-CD2 4.09Å; T1728-L2061 HydrophobicContact CG2-CD1 4.32Å; L1739-L2061 HydrophobicContact CD1-CD2 4.34Å; W2057-L2061 WeakPolarHBondContact O-CD1 3.11Å; W2057-L2061 VanDerWaalsContact O-CG 3.28Å; W2057-L2061 WeakPolarHBondContact O-CG 3.42Å; W2057-L2061 PolarHBondContact O-N 3.41Å; I2058-L2061 WeakPolarHBondContact O-CB 3.21Å; I2058-L2061 PolarHBondContact O-N 3.35Å; I2058-L2061 VanDerWaalsContact O-N 3.13Å; T2059-L2061 PolarHBondContact O-N 3.04Å; L2061-Y2064 PolarHBondContact O-N 2.95Å; L2061-F2065 PolarHBondContact O-N 3.44Å
2062Q47Very low44.9Very low114 Ų114102.7 Ų102.753%0.53351%0.514SS..Hα-helixtrans-66.6-37.9177.6-71.4179.6-18.200112.7I2058 T2059 F2065 N2066I2058-Q2062 PolarHBondContact O-N 3.24Å; I2058-Q2062 VanDerWaalsContact O-N 3.1Å; T2059-Q2062 PolarHBondContact O-N 2.98Å; Q2062-F2065 PolarHBondContact O-N 2.92Å; Q2062-N2066 PolarHBondContact O-N 3.21Å; Q2062-N2066 VanDerWaalsContact O-N 3.16Å; Q2062-N2066 PolarHBondContact O-ND2 3.3Å
2063T45.3Very low44.4Very low63 Ų63103.4 Ų103.439%0.38752%0.519SS..Hα-helixtrans-61.3-49.3171.440.80000111.4T2059 A2060 F2065 N2066 D2067T2059-T2063 PolarHBondContact O-N 3.12Å; T2059-T2063 PolarHBondContact O-OG1 3.3Å; A2060-T2063 WeakPolarHBondContact CA-OG1 3.4Å; A2060-T2063 PolarHBondContact O-OG1 3.3Å; T2063-F2065 VanDerWaalsContact C-N 3.28Å; T2063-F2065 PolarHBondContact O-N 3.47Å; T2063-N2066 PolarHBondContact O-N 3.05Å; T2063-D2067 PolarHBondContact O-N 2.83Å
2064Y46Very low43.6Very low150 Ų150105.7 Ų105.759%0.58853%0.533SS*.Hα-helixtrans-58.2-34.7176.5-119-92.6000113.9L2061L2061-Y2064 PolarHBondContact O-N 2.95Å
2065F46.7Very low43.4Very low158 Ų158106.1 Ų106.169%0.69352%0.524SS*.Hα-helixtrans-70-38.8174.4-100.4-81.3000112.9L2061 Q2062 T2063 S2068L2061-F2065 PolarHBondContact O-N 3.44Å; Q2062-F2065 PolarHBondContact O-N 2.92Å; T2063-F2065 VanDerWaalsContact C-N 3.28Å; T2063-F2065 PolarHBondContact O-N 3.47Å; F2065-S2068 PolarHBondContact O-OG 2.64Å
2066N43.6Very low43Very low119 Ų119106.6 Ų106.664%0.63653%0.528SS*.Hα-helixtrans-75.7-40.3-177.6-72.7-28.7000113.2Q2062 T2063 S2068 F2069Q2062-N2066 PolarHBondContact O-N 3.21Å; Q2062-N2066 VanDerWaalsContact O-N 3.16Å; Q2062-N2066 PolarHBondContact O-ND2 3.3Å; T2063-N2066 PolarHBondContact O-N 3.05Å; N2066-S2068 PolarHBondContact O-N 2.63Å; N2066-F2069 PolarHBondContact O-N 3.01Å
2067D38.2Very low42.4Very low118 Ų118112.1 Ų112.163%0.63155%0.553SS**Hα-helixtrans-69.7-16.3-178-70.4-23.9000112.8T2063 F2069 Y2070T2063-D2067 PolarHBondContact O-N 2.83Å; D2067-F2069 PolarHBondContact O-N 3.07Å; D2067-F2069 VanDerWaalsContact O-N 3.07Å; D2067-Y2070 PolarHBondContact O-N 2.95Å
2068S38Very low41.8Very low80 Ų80115.9 Ų115.956%0.55958%0.576SS**THydrogen-bonded Turntrans-66.3-3.5173.976.30000115.1F2065 N2066F2065-S2068 PolarHBondContact O-OG 2.64Å; N2066-S2068 PolarHBondContact O-N 2.63Å
2069F34Very low41.2Very low180 Ų180120.5 Ų120.579%0.78960%0.599SS**THydrogen-bonded Turntrans-105.53.5176.9-105-85.7000114.9N2066 D2067N2066-F2069 PolarHBondContact O-N 3.01Å; D2067-F2069 PolarHBondContact O-N 3.07Å; D2067-F2069 VanDerWaalsContact O-N 3.07Å
2070Y27.2Very low40.7Very low221 Ų221126.9 Ų126.987%0.86763%0.626SS**  trans-13044.6177.7-93.5-81.8000113.3D2067D2067-Y2070 PolarHBondContact O-N 2.95Å
2071L28.4Very low40.1Very low232 Ų232133.8 Ų133.8100%1.21565%0.645SS**  trans-140.40168-102.7166.4000111.1

Retrieved 2,071 of 2,071 residues in 1758.9 ms (Link to these results)

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