A0A3Q0KSA3_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KSA3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,485 aa.

>A0A3Q0KSA3_SCHMA|A0A3Q0KSA3
MKHHLDSYKLTEDEKKKIEEFLSLIQNSQNSPEYHQLAFNILAARKFSVPQAMELYHNYQTFLASEQITRVDPFEEDVRRELLSGKFVILNDNDIPGVRVAQFFVRLHRKSGNHRALLHSIIFQLDAALRRETAARNGLVFIFDMTDSKYSNFDYTFSCKLFKMLRSSYPVRLRRVLILTAPLWFRAPFLLMRVFIRELFQDCVYVLRPSPGTKLEALSHPDPVILKRDHYAWLQTALLRTGWLLTEAEQAALPIDHRNQTVGAFFGPPSESTGSLSDSSDSEFREDDDCFSNNQLDDVTVDDDLISVGDLDPFSLTSSYSGEAESSDLEECTSDVIMKTFSSSNLEKMNDSNYNPKSVSNYSEACSYDHKRQTLSNSEHGGTPTPPTVAKRPQLSNLADLNYSTGVSDHTNSRSSNAITSGNHVMGFNEDVSLMRIDPVTPTADNSIKSPLISEAFGTKQTAFNSANSHELNSSCSSNTSFLSTGFTGVHSTKCNPLSDKLLNQLITSSLPKTTEFERRGISKVIHEVSGLTTSNDHDLPLADAEISDSICLAPVQNKIAPLAQDEIEDRTICNNKNPIHMLPRISAFDSRLINTSHPSSDVIPNWAVGRPQGDSIHQDHNLIYPIELSSSSMNNSQTTEITPLNSSLSYLVTSGYDKCNEWDVETHSSSSSSSLHRTTNNTTVSIDSAINNNHNTCSDNHRDALLSSSIERQKIYDEIDANMIEINSTTSSSDDVSARNDEGVIDVVVNDDDFEPEEEIEEDNDDEEEEDEDDDDNLEVTQTIIMQEHWMNPNELVQHIENVGLTGLNSEYSALVQLKNEYTHIAFKHILNRSKNRYCDVICHDATRVYLQPLLLSSDISRISTSRSDEDPTVLCNAQKSLTARLHRTHSAPISAHTLVKNYIHANWVDGYRQKNAFICTQGPLSETVGDFWQMIWDYHCPIIVMITRILEAQRSKCYLYWPDVENQKLYFSSSHTGCLYAPTSSDRSNNSFSKFSSSNNNVTPDFLIENVKCESNGNFAQTTLRITHLQLHEVRTVEHFAFFSWPDHGTPQTTEGLLDLLTSVQLTYLNEIEKLGYKSYEDQKTPPPPVVVHCSAGIGRTGTYVTVDICTKWLADSRNTEHKINIPLTVARVRSQRFGCVQVSSQYVFCYRAIIDFAVNSGLLDSNKAQQALDLLCTESDAQTSSSSSVLPNSSFYQSTSLPRPFPGLITNYINDVASTLSSSSTFRYHRNIGSNTTTTTSTPTSSNNSPLVTSVSMMSSNSSSLNHHSRSPFHELLALFSPASLASIKNSIRFKKYKDDLNSSDFSTMNGVLGMDETCCLDVTSDNNNQNTNTLNSIALTTNFTGNNTTTTISDNSSNTLGNGRNNNDNNRSESFIVNPHFDFNISSSSSSLSTNSTTHLPISGLTDTTTATTTTTTTTQLINNNIENTIIVQPPFTRPMKPAIFSDDKSNQTANNMDKSKSNSSMKKIHSATQSSDTGNS
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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
1M36.4Very low58.7Low124 Ų12494.6 Ų94.661%0.61147%0.47SS*.  0-40.20-73.2-170.4-174.600115.6H3 H4 P32 E33M1-H3 VanDerWaalsContact C-N 3.3Å; M1-H3 PolarHBondContact O-N 3.09Å; M1-H4 WeakPolarHBondContact O-CB 3.37Å; M1-H4 PolarHBondContact O-N 3.37Å; M1-P32 HydrophobicContact CB-CB 3.78Å; M1-P32 HydrophobicContact CB-CG 3.46Å; M1-P32 VanDerWaalsContact CB-CG 3.46Å; M1-P32 HydrophobicContact CG-CG 4.48Å; M1-P32 HydrophobicContact SD-CG 4.25Å; M1-E33 HydrophobicContact SD-CG 4Å
2K32.5Very low60.9Low137 Ų13797.9 Ų97.960%0.59648%0.483SS*.THydrogen-bonded Turntrans-56.8-39.1-174.9-148.3170.4-170.4172.60114.1H4K2-H4 PolarHBondContact O-N 2.73Å
3H42.7Very low63.1Low162 Ų16296.8 Ų96.875%0.7548%0.48SS*.Hα-helixtrans-55-13.7168.8-80.6-57.2000116.5M1 D6 S7M1-H3 VanDerWaalsContact C-N 3.3Å; M1-H3 PolarHBondContact O-N 3.09Å; H3-D6 WeakPolarHBondContact CA-OD2 3.5Å; H3-D6 IonicContact ND1-OD2 2.88Å; H3-D6 PolarHBondContact O-N 2.94Å; H3-S7 PolarHBondContact O-N 2.98Å
4H52.8Low65Low95 Ų9591.6 Ų91.644%0.4445%0.453SS..Hα-helixtrans-78.8-27.3-171.5-152.3-52.4000112.7M1 K2 S7M1-H4 WeakPolarHBondContact O-CB 3.37Å; M1-H4 PolarHBondContact O-N 3.37Å; K2-H4 PolarHBondContact O-N 2.73Å; H4-S7 PolarHBondContact O-OG 2.83Å
5L54.9Low66.5Low23 Ų2390.8 Ų90.812%0.1245%0.446CS..Hα-helixtrans-79.8-28.4170.3-72.9103.4000112.5S7 Y8 H35 F39L5-S7 PolarHBondContact O-N 3.19Å; L5-S7 VanDerWaalsContact O-N 3.15Å; L5-Y8 HydrophobicContact CB-CD2 4.44Å; L5-Y8 HydrophobicContact CD2-CD2 4.42Å; L5-Y8 HydrophobicContact CG-CD2 4.2Å; L5-Y8 HydrophobicContact CG-CE2 4.27Å; L5-Y8 WeakPolarHBondContact O-CB 3.21Å; L5-Y8 PolarHBondContact O-N 3.01Å; L5-H35 HydrophobicContact CD1-CB 3.56Å; L5-H35 HydrophobicContact CD2-CB 3.88Å; L5-H35 HydrophobicContact CG-CB 4.37Å; L5-F39 HydrophobicContact CD2-CB 4.47Å
6D54.2Low67.9Low129 Ų12992.9 Ų92.969%0.6945%0.452SS*.Hα-helixtrans-61.7-19.7171.3-57.5-39.3000112.4H3 Y8H3-D6 WeakPolarHBondContact CA-OD2 3.5Å; H3-D6 IonicContact ND1-OD2 2.88Å; H3-D6 PolarHBondContact O-N 2.94Å; D6-Y8 VanDerWaalsContact C-N 3.35Å
7S60.9Low69.3Low75 Ų7590.7 Ų90.752%0.52444%0.44SS..THydrogen-bonded Turntrans-77.6-17.417482.80000113.9H3 H4 L5H3-S7 PolarHBondContact O-N 2.98Å; H4-S7 PolarHBondContact O-OG 2.83Å; L5-S7 PolarHBondContact O-N 3.19Å; L5-S7 VanDerWaalsContact O-N 3.15Å
8Y69.7Low70.4Confident20 Ų2086.3 Ų86.38%0.07842%0.419CS..SBendtrans-84.1138.5-176.2-65.1-23.8000111.6L5 D6 L10 Q36 F39 R130 E132L5-Y8 HydrophobicContact CB-CD2 4.44Å; L5-Y8 HydrophobicContact CD2-CD2 4.42Å; L5-Y8 HydrophobicContact CG-CD2 4.2Å; L5-Y8 HydrophobicContact CG-CE2 4.27Å; L5-Y8 WeakPolarHBondContact O-CB 3.21Å; L5-Y8 PolarHBondContact O-N 3.01Å; D6-Y8 VanDerWaalsContact C-N 3.35Å; Y8-L10 PolarHBondContact O-N 3.03Å; Y8-Q36 PolarHBondContact OH-NE2 3.21Å; Y8-Q36 PolarHBondContact OH-OE1 3Å; Y8-F39 HydrophobicContact CD2-CD1 4.4Å; Y8-F39 HydrophobicContact CD2-CD2 4.46Å; Y8-F39 HydrophobicContact CD2-CE1 4.36Å; Y8-F39 HydrophobicContact CD2-CE2 4.42Å; Y8-F39 HydrophobicContact CD2-CG 4.45Å; Y8-F39 HydrophobicContact CD2-CZ 4.38Å; Y8-F39 AromaticContact CE2-CD1 3.96Å; Y8-F39 HydrophobicContact CE2-CD1 3.96Å; Y8-F39 HydrophobicContact CE2-CE1 4.05Å; Y8-F39 HydrophobicContact CE2-CG 4.35Å; Y8-R130 PolarHBondContact OH-O 2.81Å; Y8-E132 VanDerWaalsContact CA-OE2 3.24Å; Y8-E132 WeakPolarHBondContact CA-OE2 3.44Å; Y8-E132 HydrophobicContact CD1-CB 3.63Å; Y8-E132 HydrophobicContact CD1-CG 3.83Å; Y8-E132 HydrophobicContact CE1-CB 3.72Å; Y8-E132 HydrophobicContact CE1-CG 4.33Å; Y8-E132 HydrophobicContact CG-CB 4.29Å; Y8-E132 HydrophobicContact CG-CG 4.01Å
9K73.6Confident71.3Confident175 Ų17588.8 Ų88.876%0.76143%0.43SS*.  trans-81.167.1176.5-68.8-178.1-179175.30110.3E132 R136K9-E132 PolarHBondContact N-OE2 3.01Å; K9-R136 PolarHBondContact O-NH1 3.46Å; K9-R136 PolarHBondContact O-NH2 3.01Å
10L80.7Confident72.2Confident27 Ų2788.2 Ų88.214%0.14143%0.426CS..  trans-79.1132173.3-63172000110.4Y8 E14 K15 I18 F39Y8-L10 PolarHBondContact O-N 3.03Å; L10-E14 HydrophobicContact CD2-CB 4.25Å; L10-K15 HydrophobicContact CB-CG 3.93Å; L10-K15 HydrophobicContact CD1-CG 4.33Å; L10-I18 HydrophobicContact CD1-CD1 3.86Å; L10-I18 HydrophobicContact CD2-CD1 3.88Å; L10-F39 HydrophobicContact CD2-CD2 3.8Å; L10-F39 HydrophobicContact CD2-CE2 3.64Å
11T86.9Confident73.1Confident74 Ų7484.1 Ų84.145%0.45441%0.406SS..  trans-75.1159.716560.40000110.9D13 E14 K15T11-D13 PolarHBondContact O-N 2.74Å; T11-E14 WeakPolarHBondContact CB-OE2 3.39Å; T11-E14 WeakPolarHBondContact CG2-OE2 3.11Å; T11-E14 PolarHBondContact N-OE2 3.17Å; T11-E14 PolarHBondContact O-N 3.24Å; T11-E14 VanDerWaalsContact O-N 3.12Å; T11-E14 VanDerWaalsContact OG1-CG 3.29Å; T11-E14 WeakPolarHBondContact OG1-CG 3.4Å; T11-E14 PolarHBondContact OG1-N 2.97Å; T11-E14 PolarHBondContact OG1-OE2 3.26Å; T11-K15 WeakPolarHBondContact O-CG 3.38Å; T11-K15 PolarHBondContact O-N 3.1Å
12E85Confident75.6Confident134 Ų13480.5 Ų80.563%0.62639%0.389SS*.Hα-helixtrans-62.1-29.3178.3-55-51.5126.400112.9K15 K16E12-K15 VanDerWaalsContact CD-NZ 3.3Å; E12-K15 IonicContact OE1-NZ 3.14Å; E12-K15 PolarHBondContact OE1-NZ 2.87Å; E12-K15 WeakPolarHBondContact OE2-CD 3.44Å; E12-K15 IonicContact OE2-NZ 3.05Å; E12-K15 PolarHBondContact OE2-NZ 2.77Å; E12-K15 VanDerWaalsContact OE2-NZ 3.16Å; E12-K16 WeakPolarHBondContact O-CB 3.37Å; E12-K16 PolarHBondContact O-N 2.84Å
13D89.5Confident78.1Confident84 Ų8478.2 Ų78.245%0.44939%0.391SS..Hα-helixtrans-67.9-42.9172.5175.663000111.8T11 K16 K17T11-D13 PolarHBondContact O-N 2.74Å; D13-K16 PolarHBondContact O-N 2.84Å; D13-K17 VanDerWaalsContact CG-NZ 3.31Å; D13-K17 WeakPolarHBondContact O-CB 3.16Å; D13-K17 WeakPolarHBondContact O-CD 3.25Å; D13-K17 VanDerWaalsContact O-CG 3.29Å; D13-K17 WeakPolarHBondContact O-CG 3Å; D13-K17 PolarHBondContact O-N 3.33Å; D13-K17 WeakPolarHBondContact OD1-CE 3.44Å; D13-K17 IonicContact OD1-NZ 2.68Å; D13-K17 PolarHBondContact OD1-NZ 3.02Å; D13-K17 WeakPolarHBondContact OD2-CE 3.36Å; D13-K17 IonicContact OD2-NZ 3.76Å; D13-K17 PolarHBondContact OD2-NZ 3.44Å
14E90Very high80.3Confident23 Ų2374.9 Ų74.911%0.10738%0.378CS..Hα-helixtrans-66.4-39174.8-70.3166.711700112.2L10 T11 K17 I18 F47 R136L10-E14 HydrophobicContact CD2-CB 4.25Å; T11-E14 WeakPolarHBondContact CB-OE2 3.39Å; T11-E14 WeakPolarHBondContact CG2-OE2 3.11Å; T11-E14 PolarHBondContact N-OE2 3.17Å; T11-E14 PolarHBondContact O-N 3.24Å; T11-E14 VanDerWaalsContact O-N 3.12Å; T11-E14 VanDerWaalsContact OG1-CG 3.29Å; T11-E14 WeakPolarHBondContact OG1-CG 3.4Å; T11-E14 PolarHBondContact OG1-N 2.97Å; T11-E14 PolarHBondContact OG1-OE2 3.26Å; E14-K17 PolarHBondContact O-N 3.05Å; E14-I18 WeakPolarHBondContact O-CD1 3.45Å; E14-I18 VanDerWaalsContact O-CG1 3.27Å; E14-I18 WeakPolarHBondContact O-CG1 3.27Å; E14-I18 PolarHBondContact O-N 3.34Å; E14-F47 HydrophobicContact CB-CD1 4Å; E14-F47 HydrophobicContact CB-CE1 3.89Å; E14-F47 HydrophobicContact CB-CZ 4.4Å; E14-F47 HydrophobicContact CG-CD1 3.86Å; E14-F47 HydrophobicContact CG-CD2 4.16Å; E14-F47 HydrophobicContact CG-CE1 3.95Å; E14-F47 HydrophobicContact CG-CE2 4.24Å; E14-F47 HydrophobicContact CG-CG 3.99Å; E14-F47 HydrophobicContact CG-CZ 4.14Å; E14-F47 VanDerWaalsContact OE1-CE2 3.26Å; E14-F47 WeakPolarHBondContact OE1-CE2 3.35Å; E14-F47 WeakPolarHBondContact OE1-CZ 3.48Å; E14-R136 IonicContact OE1-CZ 2.81Å; E14-R136 IonicContact OE1-NE 2.69Å; E14-R136 PolarHBondContact OE1-NE 3Å; E14-R136 IonicContact OE1-NH2 2.82Å; E14-R136 PolarHBondContact OE1-NH2 3.24Å; E14-R136 IonicContact OE2-NH2 3.26Å; E14-R136 PolarHBondContact OE2-NH2 3.29Å
15K87.2Confident81.7Confident80 Ų8071.4 Ų71.435%0.34836%0.362SS..Hα-helixtrans-59.1-51.7172.5-68.7177-171.3168.60110.9L10 T11 E12 K17 I18 E19L10-K15 HydrophobicContact CB-CG 3.93Å; L10-K15 HydrophobicContact CD1-CG 4.33Å; T11-K15 WeakPolarHBondContact O-CG 3.38Å; T11-K15 PolarHBondContact O-N 3.1Å; E12-K15 VanDerWaalsContact CD-NZ 3.3Å; E12-K15 IonicContact OE1-NZ 3.14Å; E12-K15 PolarHBondContact OE1-NZ 2.87Å; E12-K15 WeakPolarHBondContact OE2-CD 3.44Å; E12-K15 IonicContact OE2-NZ 3.05Å; E12-K15 PolarHBondContact OE2-NZ 2.77Å; E12-K15 VanDerWaalsContact OE2-NZ 3.16Å; K15-K17 PolarHBondContact O-N 3.12Å; K15-I18 WeakPolarHBondContact O-CB 3.38Å; K15-I18 PolarHBondContact O-N 3.08Å; K15-E19 WeakPolarHBondContact O-CG 3.49Å; K15-E19 PolarHBondContact O-N 3.45Å
16K89.3Confident82.2Confident125 Ų12579.3 Ų79.354%0.54340%0.399SS..Hα-helixtrans-55.6-40.8176.9-171.6-161.5171.3-150.80111.4E12 D13 E19 E20E12-K16 WeakPolarHBondContact O-CB 3.37Å; E12-K16 PolarHBondContact O-N 2.84Å; D13-K16 PolarHBondContact O-N 2.84Å; K16-E19 PolarHBondContact O-N 2.92Å; K16-E20 VanDerWaalsContact O-CB 3.25Å; K16-E20 WeakPolarHBondContact O-CB 3.5Å; K16-E20 PolarHBondContact O-N 3.3Å
17K91.6Very high82.4Confident55 Ų5577.4 Ų77.424%0.23939%0.388CS..Hα-helixtrans-71.5-30.4178.3-73.4164.3174.9173.20113.6D13 E14 K15 F21 F47 V49D13-K17 VanDerWaalsContact CG-NZ 3.31Å; D13-K17 WeakPolarHBondContact O-CB 3.16Å; D13-K17 WeakPolarHBondContact O-CD 3.25Å; D13-K17 VanDerWaalsContact O-CG 3.29Å; D13-K17 WeakPolarHBondContact O-CG 3Å; D13-K17 PolarHBondContact O-N 3.33Å; D13-K17 WeakPolarHBondContact OD1-CE 3.44Å; D13-K17 IonicContact OD1-NZ 2.68Å; D13-K17 PolarHBondContact OD1-NZ 3.02Å; D13-K17 WeakPolarHBondContact OD2-CE 3.36Å; D13-K17 IonicContact OD2-NZ 3.76Å; D13-K17 PolarHBondContact OD2-NZ 3.44Å; E14-K17 PolarHBondContact O-N 3.05Å; K15-K17 PolarHBondContact O-N 3.12Å; K17-F21 WeakPolarHBondContact O-CB 3.14Å; K17-F21 PolarHBondContact O-N 2.76Å; K17-F47 HydrophobicContact CD-CB 4.11Å; K17-F47 WeakPolarHBondContact CD-O 3.32Å; K17-V49 HydrophobicContact CB-CG2 4.07Å; K17-V49 HydrophobicContact CG-CG2 4.14Å
18I89.2Confident81.8Confident11 Ų1179.2 Ų79.26%0.05640%0.401CS..Hα-helixtrans-67.2-45.5169.2-68160.2000110L10 E14 K15 L22 F39 L42 F47L10-I18 HydrophobicContact CD1-CD1 3.86Å; L10-I18 HydrophobicContact CD2-CD1 3.88Å; E14-I18 WeakPolarHBondContact O-CD1 3.45Å; E14-I18 VanDerWaalsContact O-CG1 3.27Å; E14-I18 WeakPolarHBondContact O-CG1 3.27Å; E14-I18 PolarHBondContact O-N 3.34Å; K15-I18 WeakPolarHBondContact O-CB 3.38Å; K15-I18 PolarHBondContact O-N 3.08Å; I18-L22 HydrophobicContact CG2-CD1 3.75Å; I18-L22 HydrophobicContact CG2-CG 4.38Å; I18-L22 VanDerWaalsContact O-CB 3.29Å; I18-L22 WeakPolarHBondContact O-CB 3.39Å; I18-L22 VanDerWaalsContact O-CG 3.23Å; I18-L22 WeakPolarHBondContact O-CG 3.45Å; I18-L22 PolarHBondContact O-N 2.83Å; I18-F39 HydrophobicContact CD1-CD2 4.28Å; I18-L42 HydrophobicContact CB-CD1 4.22Å; I18-L42 HydrophobicContact CG1-CD1 3.61Å; I18-F47 HydrophobicContact CD1-CE1 4.28Å; I18-F47 HydrophobicContact CG1-CE1 4.28Å
19E87.2Confident81.1Confident135 Ų13582 Ų8263%0.63142%0.415SS*.Hα-helixtrans-62.3-44175.6-68.8172.7175.900112K15 K16 L22 S23K15-E19 WeakPolarHBondContact O-CG 3.49Å; K15-E19 PolarHBondContact O-N 3.45Å; K16-E19 PolarHBondContact O-N 2.92Å; E19-L22 PolarHBondContact O-N 2.85Å; E19-S23 WeakPolarHBondContact O-CB 3.44Å; E19-S23 PolarHBondContact O-N 3.33Å
20E90.7Very high80.4Confident76 Ų7679.3 Ų79.336%0.35541%0.408SS..Hα-helixtrans-59.9-52.6176-171.9-178.7135.300111K16 L22 S23 L24 V49K16-E20 VanDerWaalsContact O-CB 3.25Å; K16-E20 WeakPolarHBondContact O-CB 3.5Å; K16-E20 PolarHBondContact O-N 3.3Å; E20-L22 PolarHBondContact O-N 3.27Å; E20-S23 PolarHBondContact O-N 2.93Å; E20-S23 VanDerWaalsContact O-N 3.13Å; E20-S23 PolarHBondContact O-OG 3.29Å; E20-L24 WeakPolarHBondContact O-CG 3.45Å; E20-L24 PolarHBondContact O-N 3.15Å; E20-V49 HydrophobicContact CG-CG1 4.37Å; E20-V49 HydrophobicContact CG-CG2 4.47Å
21F90.6Very high79.8Confident2 Ų279.4 Ų79.41%0.00941%0.411CS..Hα-helixtrans-61.3-42.8177.2177.4-96.3000112.8K17 S23 L24 I25 A38 I41 L42 V49 A52 M53 Y56K17-F21 WeakPolarHBondContact O-CB 3.14Å; K17-F21 PolarHBondContact O-N 2.76Å; F21-S23 VanDerWaalsContact C-N 3.3Å; F21-S23 PolarHBondContact O-N 3.32Å; F21-L24 PolarHBondContact O-N 3.3Å; F21-I25 HydrophobicContact CD1-CD1 4Å; F21-I25 HydrophobicContact CE1-CD1 3.38Å; F21-I25 HydrophobicContact CE2-CD1 3.99Å; F21-I25 HydrophobicContact CZ-CD1 3.39Å; F21-I25 PolarHBondContact O-N 3.44Å; F21-A38 HydrophobicContact CD1-CB 3.6Å; F21-A38 HydrophobicContact CE1-CB 3.65Å; F21-I41 HydrophobicContact CE2-CG2 4.14Å; F21-I41 HydrophobicContact CZ-CB 4.19Å; F21-I41 HydrophobicContact CZ-CD1 4.07Å; F21-I41 HydrophobicContact CZ-CG2 3.82Å; F21-L42 HydrophobicContact CB-CD1 3.93Å; F21-L42 HydrophobicContact CB-CD2 4.28Å; F21-L42 HydrophobicContact CB-CG 4.37Å; F21-L42 HydrophobicContact CD1-CD1 4.3Å; F21-L42 HydrophobicContact CD2-CD2 4.43Å; F21-L42 HydrophobicContact CG-CD1 4.15Å; F21-L42 HydrophobicContact CG-CD2 4.38Å; F21-L42 HydrophobicContact CG-CG 4.22Å; F21-V49 HydrophobicContact CB-CG1 4.3Å; F21-V49 HydrophobicContact CD2-CG1 4.48Å; F21-A52 HydrophobicContact CD2-CB 3.76Å; F21-A52 HydrophobicContact CE2-CB 3.6Å; F21-A52 HydrophobicContact CZ-CB 4.49Å; F21-M53 HydrophobicContact CD2-CG 4.19Å; F21-M53 HydrophobicContact CD2-SD 3.67Å; F21-M53 HydrophobicContact CE2-CG 4.25Å; F21-M53 HydrophobicContact CE2-SD 3.62Å; F21-Y56 HydrophobicContact CZ-CG 4.38Å
22L88.2Confident79Confident48 Ų4877.5 Ų77.525%0.25140%0.401SS..Hα-helixtrans-65.6-31.9174.6-73.2171.1000112.3I18 E19 E20 L24 I25 A38I18-L22 HydrophobicContact CG2-CD1 3.75Å; I18-L22 HydrophobicContact CG2-CG 4.38Å; I18-L22 VanDerWaalsContact O-CB 3.29Å; I18-L22 WeakPolarHBondContact O-CB 3.39Å; I18-L22 VanDerWaalsContact O-CG 3.23Å; I18-L22 WeakPolarHBondContact O-CG 3.45Å; I18-L22 PolarHBondContact O-N 2.83Å; E19-L22 PolarHBondContact O-N 2.85Å; E20-L22 PolarHBondContact O-N 3.27Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-I25 PolarHBondContact O-N 3.43Å; L22-A38 HydrophobicContact CD2-CB 3.8Å; L22-A38 HydrophobicContact CG-CB 4.07Å
23S86.3Confident78.5Confident90 Ų9075.2 Ų75.263%0.62939%0.39SS*.Hα-helixtrans-71.3-25.1176.477.80000113.8E19 E20 F21E19-S23 WeakPolarHBondContact O-CB 3.44Å; E19-S23 PolarHBondContact O-N 3.33Å; E20-S23 PolarHBondContact O-N 2.93Å; E20-S23 VanDerWaalsContact O-N 3.13Å; E20-S23 PolarHBondContact O-OG 3.29Å; F21-S23 VanDerWaalsContact C-N 3.3Å; F21-S23 PolarHBondContact O-N 3.32Å
24L87.2Confident78.1Confident91 Ų9174.4 Ų74.448%0.47638%0.381SS..Hα-helixtrans-80.2-24.1175.8-66.6171000112.7E20 F21 L22 V49 M53E20-L24 WeakPolarHBondContact O-CG 3.45Å; E20-L24 PolarHBondContact O-N 3.15Å; F21-L24 PolarHBondContact O-N 3.3Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L24-V49 HydrophobicContact CD1-CG1 3.67Å; L24-M53 HydrophobicContact CB-CE 3.82Å; L24-M53 HydrophobicContact CB-SD 3.85Å; L24-M53 HydrophobicContact CD1-CG 4.09Å; L24-M53 HydrophobicContact CD1-SD 4.23Å
25I83.3Confident77.8Confident23 Ų2375.5 Ų75.512%0.11839%0.386CS..SBendtrans-93.5103.1178.7-63.2172.4000109F21 L22 N27 M53 Y56F21-I25 HydrophobicContact CD1-CD1 4Å; F21-I25 HydrophobicContact CE1-CD1 3.38Å; F21-I25 HydrophobicContact CE2-CD1 3.99Å; F21-I25 HydrophobicContact CZ-CD1 3.39Å; F21-I25 PolarHBondContact O-N 3.44Å; L22-I25 PolarHBondContact O-N 3.43Å; I25-N27 HydrophobicContact CG2-CB 4.27Å; I25-N27 PolarHBondContact O-N 2.63Å; I25-M53 HydrophobicContact CD1-SD 4.29Å; I25-M53 HydrophobicContact CG1-CE 4.01Å; I25-M53 HydrophobicContact CG1-SD 3.94Å; I25-Y56 HydrophobicContact CB-CE1 4.49Å; I25-Y56 HydrophobicContact CD1-CD1 3.68Å; I25-Y56 HydrophobicContact CD1-CD2 3.95Å; I25-Y56 HydrophobicContact CD1-CE1 3.74Å; I25-Y56 HydrophobicContact CD1-CE2 4.02Å; I25-Y56 HydrophobicContact CD1-CG 3.79Å; I25-Y56 HydrophobicContact CG1-CD1 3.97Å; I25-Y56 HydrophobicContact CG1-CE1 3.83Å; I25-Y56 HydrophobicContact CG2-CE1 3.85Å
26Q65.5Low77.7Confident189 Ų18972.8 Ų72.888%0.88338%0.375SS*.  trans-67.513.2-170.8-63.3-177.3-19.300116.2S28Q26-S28 PolarHBondContact O-N 2.81Å
27N58.5Low77.7Confident89 Ų8968.3 Ų68.348%0.47636%0.356SS..  trans-83.3104-178.4-74-30.8000111.2I25 Q29 Y56I25-N27 HydrophobicContact CG2-CB 4.27Å; I25-N27 PolarHBondContact O-N 2.63Å; N27-Q29 PolarHBondContact O-N 2.87Å; N27-Y56 PolarHBondContact ND2-OH 3.03Å
28S47.4Very low77.6Confident112 Ų11265.8 Ų65.878%0.78335%0.345SS*.  trans-73.923.9-16652.70000116.8Q26Q26-S28 PolarHBondContact O-N 2.81Å
29Q55Low77.7Confident79 Ų7965.2 Ų65.237%0.36934%0.343SS..  trans-103.7111.9-178.7-75.3-81.19.300111N27 S31 Y34 N1382N27-Q29 PolarHBondContact O-N 2.87Å; Q29-S31 PolarHBondContact O-N 2.96Å; Q29-Y34 HydrophobicContact CB-CD2 4.36Å; Q29-Y34 HydrophobicContact CB-CE2 4.08Å; Q29-N1382 PolarHBondContact NE2-ND2 3.27Å; Q29-N1382 PolarHBondContact NE2-OD1 2.94Å
30N58.7Low77.9Confident118 Ų11859.3 Ų59.363%0.63132%0.315SS*.  trans-77.139.1-177-133.1-48.5000112.9
31S68.2Low78Confident29 Ų2955.7 Ų55.720%0.20330%0.298CS..  trans-74.1143.3-176130.30000111.2Q29 E33 Y34 H35Q29-S31 PolarHBondContact O-N 2.96Å; S31-E33 PolarHBondContact O-N 2.73Å; S31-E33 PolarHBondContact OG-N 3.1Å; S31-E33 VanDerWaalsContact OG-N 3.11Å; S31-Y34 PolarHBondContact O-N 3.23Å; S31-Y34 PolarHBondContact OG-N 3.22Å; S31-H35 PolarHBondContact O-ND1 3.48Å
32P70.6Confident78.1Confident35 Ų3555.6 Ų55.623%0.22730%0.298CS..Hα-helixtrans-71.1-18.5177.431.2-34.7000112.6M1 H35 Q36M1-P32 HydrophobicContact CB-CB 3.78Å; M1-P32 HydrophobicContact CB-CG 3.46Å; M1-P32 VanDerWaalsContact CB-CG 3.46Å; M1-P32 HydrophobicContact CG-CG 4.48Å; M1-P32 HydrophobicContact SD-CG 4.25Å; P32-H35 PolarHBondContact O-N 3.33Å; P32-Q36 PolarHBondContact O-N 3.29Å; P32-Q36 VanDerWaalsContact O-N 3.09Å
33E74.5Confident78.2Confident85 Ų8553.5 Ų53.540%0.39729%0.288SS..Hα-helixtrans-74.9-38.2177.5-57.1-168.6125.800111.2M1 S31 H35 Q36 L37 R130M1-E33 HydrophobicContact SD-CG 4Å; S31-E33 PolarHBondContact O-N 2.73Å; S31-E33 PolarHBondContact OG-N 3.1Å; S31-E33 VanDerWaalsContact OG-N 3.11Å; E33-H35 VanDerWaalsContact C-N 3.27Å; E33-H35 PolarHBondContact O-N 2.72Å; E33-Q36 PolarHBondContact O-N 2.94Å; E33-L37 WeakPolarHBondContact O-CB 3.21Å; E33-L37 PolarHBondContact O-N 2.82Å; E33-R130 IonicContact OE1-NH2 3.5Å
34Y81.5Confident78.5Confident68 Ų6849.2 Ų49.227%0.26726%0.258SS..Hα-helixtrans-62.2-35.1170.5-76.8-64.7000112.3Q29 S31 L37 A38Q29-Y34 HydrophobicContact CB-CD2 4.36Å; Q29-Y34 HydrophobicContact CB-CE2 4.08Å; S31-Y34 PolarHBondContact O-N 3.23Å; S31-Y34 PolarHBondContact OG-N 3.22Å; Y34-L37 PolarHBondContact O-N 2.93Å; Y34-A38 VanDerWaalsContact O-CB 3.3Å; Y34-A38 WeakPolarHBondContact O-CB 3.41Å; Y34-A38 PolarHBondContact O-N 2.91Å
35H83.6Confident78.7Confident46 Ų4647 Ų4721%0.21324%0.243CC..Hα-helixtrans-67.1-40.4174.6-71.369.8000111.8L5 S31 P32 E33 A38 F39L5-H35 HydrophobicContact CD1-CB 3.56Å; L5-H35 HydrophobicContact CD2-CB 3.88Å; L5-H35 HydrophobicContact CG-CB 4.37Å; S31-H35 PolarHBondContact O-ND1 3.48Å; P32-H35 PolarHBondContact O-N 3.33Å; E33-H35 VanDerWaalsContact C-N 3.27Å; E33-H35 PolarHBondContact O-N 2.72Å; H35-A38 PolarHBondContact O-N 2.81Å; H35-F39 WeakPolarHBondContact O-CB 3.45Å; H35-F39 PolarHBondContact O-N 2.98Å
36Q84.8Confident79Confident23 Ų2353.3 Ų53.311%0.10727%0.27CS..Hα-helixtrans-64.1-43.1173.1-174.666.151.500111.8Y8 P32 E33 F39 N40Y8-Q36 PolarHBondContact OH-NE2 3.21Å; Y8-Q36 PolarHBondContact OH-OE1 3Å; P32-Q36 PolarHBondContact O-N 3.29Å; P32-Q36 VanDerWaalsContact O-N 3.09Å; E33-Q36 PolarHBondContact O-N 2.94Å; Q36-F39 PolarHBondContact O-N 2.88Å; Q36-N40 PolarHBondContact NE2-OD1 2.85Å; Q36-N40 WeakPolarHBondContact O-CB 3.31Å; Q36-N40 PolarHBondContact O-N 2.76Å; Q36-N40 PolarHBondContact O-OD1 3.41Å
37L88.3Confident80.3Confident31 Ų3145.2 Ų45.216%0.16223%0.232CC..Hα-helixtrans-62.9-44.7177.4178.659.2000111.3E33 Y34 F39 N40 I41 Y59 P170E33-L37 WeakPolarHBondContact O-CB 3.21Å; E33-L37 PolarHBondContact O-N 2.82Å; Y34-L37 PolarHBondContact O-N 2.93Å; L37-F39 PolarHBondContact O-N 3.45Å; L37-N40 PolarHBondContact O-N 2.89Å; L37-I41 HydrophobicContact CD1-CD1 3.79Å; L37-I41 HydrophobicContact CD1-CG1 4.06Å; L37-I41 HydrophobicContact CG-CD1 3.8Å; L37-I41 HydrophobicContact CG-CG1 4.46Å; L37-I41 VanDerWaalsContact O-CG1 3.3Å; L37-I41 WeakPolarHBondContact O-CG1 3.35Å; L37-I41 PolarHBondContact O-N 3.18Å; L37-Y59 HydrophobicContact CD1-CD1 4.13Å; L37-Y59 HydrophobicContact CD1-CE1 3.57Å; L37-Y59 HydrophobicContact CD2-CE1 4.04Å; L37-Y59 HydrophobicContact CG-CE1 4.45Å; L37-P170 HydrophobicContact CD1-CB 4.41Å; L37-P170 HydrophobicContact CD1-CG 4.17Å
38A90.1Very high81.8Confident1 Ų142.9 Ų42.91%0.00822%0.222CC..Hα-helixtrans-58.5-47.1174.700000112.1F21 L22 Y34 H35 N40 I41 L42F21-A38 HydrophobicContact CD1-CB 3.6Å; F21-A38 HydrophobicContact CE1-CB 3.65Å; L22-A38 HydrophobicContact CD2-CB 3.8Å; L22-A38 HydrophobicContact CG-CB 4.07Å; Y34-A38 VanDerWaalsContact O-CB 3.3Å; Y34-A38 WeakPolarHBondContact O-CB 3.41Å; Y34-A38 PolarHBondContact O-N 2.91Å; H35-A38 PolarHBondContact O-N 2.81Å; A38-N40 PolarHBondContact O-N 3.28Å; A38-I41 PolarHBondContact O-N 3.31Å; A38-L42 WeakPolarHBondContact O-CB 3.34Å; A38-L42 WeakPolarHBondContact O-CG 3.21Å; A38-L42 PolarHBondContact O-N 3.42Å
39F91.7Very high83.9Confident0 Ų038 Ų380%019%0.188CC..Hα-helixtrans-59-44.1173.9172.7-96.7000112.1L5 Y8 L10 I18 H35 Q36 L37 A43 F47 E132 A135 R136L5-F39 HydrophobicContact CD2-CB 4.47Å; Y8-F39 HydrophobicContact CD2-CD1 4.4Å; Y8-F39 HydrophobicContact CD2-CD2 4.46Å; Y8-F39 HydrophobicContact CD2-CE1 4.36Å; Y8-F39 HydrophobicContact CD2-CE2 4.42Å; Y8-F39 HydrophobicContact CD2-CG 4.45Å; Y8-F39 HydrophobicContact CD2-CZ 4.38Å; Y8-F39 AromaticContact CE2-CD1 3.96Å; Y8-F39 HydrophobicContact CE2-CD1 3.96Å; Y8-F39 HydrophobicContact CE2-CE1 4.05Å; Y8-F39 HydrophobicContact CE2-CG 4.35Å; L10-F39 HydrophobicContact CD2-CD2 3.8Å; L10-F39 HydrophobicContact CD2-CE2 3.64Å; I18-F39 HydrophobicContact CD1-CD2 4.28Å; H35-F39 WeakPolarHBondContact O-CB 3.45Å; H35-F39 PolarHBondContact O-N 2.98Å; Q36-F39 PolarHBondContact O-N 2.88Å; L37-F39 PolarHBondContact O-N 3.45Å; F39-A43 WeakPolarHBondContact O-CB 3.12Å; F39-A43 PolarHBondContact O-N 3.03Å; F39-F47 HydrophobicContact CD2-CE1 4.31Å; F39-F47 AromaticContact CD2-CZ 3.94Å; F39-F47 HydrophobicContact CD2-CZ 3.94Å; F39-F47 AromaticContact CE2-CZ 3.79Å; F39-F47 HydrophobicContact CE2-CZ 3.79Å; F39-E132 HydrophobicContact CE1-CG 4.39Å; F39-E132 HydrophobicContact CE2-CG 4.46Å; F39-E132 HydrophobicContact CZ-CB 4.44Å; F39-E132 HydrophobicContact CZ-CG 3.68Å; F39-A135 HydrophobicContact CD1-CB 4.39Å; F39-A135 HydrophobicContact CE1-CB 3.76Å; F39-R136 HydrophobicContact CZ-CG 4.24Å
40N91.6Very high85.6Confident10 Ų1039.1 Ų39.15%0.05320%0.202CC..Hα-helixtrans-63.8-46.2179.3-69.9-0.6000112Q36 L37 A38 A43 A44 L129 P170Q36-N40 PolarHBondContact NE2-OD1 2.85Å; Q36-N40 WeakPolarHBondContact O-CB 3.31Å; Q36-N40 PolarHBondContact O-N 2.76Å; Q36-N40 PolarHBondContact O-OD1 3.41Å; L37-N40 PolarHBondContact O-N 2.89Å; A38-N40 PolarHBondContact O-N 3.28Å; N40-A43 PolarHBondContact O-N 3.03Å; N40-A44 VanDerWaalsContact O-CB 3.31Å; N40-A44 WeakPolarHBondContact O-CB 3.42Å; N40-A44 PolarHBondContact O-N 2.87Å; N40-L129 PolarHBondContact OD1-O 2.87Å; N40-P170 HydrophobicContact CB-CB 4.28Å
41I92.4Very high87.1Confident0 Ų037.2 Ų37.20%019%0.189CC..Hα-helixtrans-63.8-46.3178.6-66.8169.1000110.8F21 L37 A38 A44 R45 A52 L55 Y56 P170F21-I41 HydrophobicContact CE2-CG2 4.14Å; F21-I41 HydrophobicContact CZ-CB 4.19Å; F21-I41 HydrophobicContact CZ-CD1 4.07Å; F21-I41 HydrophobicContact CZ-CG2 3.82Å; L37-I41 HydrophobicContact CD1-CD1 3.79Å; L37-I41 HydrophobicContact CD1-CG1 4.06Å; L37-I41 HydrophobicContact CG-CD1 3.8Å; L37-I41 HydrophobicContact CG-CG1 4.46Å; L37-I41 VanDerWaalsContact O-CG1 3.3Å; L37-I41 WeakPolarHBondContact O-CG1 3.35Å; L37-I41 PolarHBondContact O-N 3.18Å; A38-I41 PolarHBondContact O-N 3.31Å; I41-A44 WeakPolarHBondContact O-CB 3.43Å; I41-A44 PolarHBondContact O-N 3.26Å; I41-R45 PolarHBondContact O-N 3.19Å; I41-A52 HydrophobicContact CG2-CB 3.78Å; I41-A52 WeakPolarHBondContact CG2-O 3.45Å; I41-L55 HydrophobicContact CG2-CB 4.16Å; I41-L55 HydrophobicContact CG2-CD2 4.01Å; I41-L55 HydrophobicContact CG2-CG 4.11Å; I41-Y56 HydrophobicContact CD1-CD2 3.7Å; I41-Y56 HydrophobicContact CD1-CG 4.4Å; I41-P170 HydrophobicContact CG1-CB 3.65Å
42L92.9Very high88.2Confident0 Ų035.9 Ų35.90%018%0.179CC..Hα-helixtrans-62.1-48.9176.1-76.8164.2000111I18 F21 A38 A44 R45 K46 F47 V49 A52I18-L42 HydrophobicContact CB-CD1 4.22Å; I18-L42 HydrophobicContact CG1-CD1 3.61Å; F21-L42 HydrophobicContact CB-CD1 3.93Å; F21-L42 HydrophobicContact CB-CD2 4.28Å; F21-L42 HydrophobicContact CB-CG 4.37Å; F21-L42 HydrophobicContact CD1-CD1 4.3Å; F21-L42 HydrophobicContact CD2-CD2 4.43Å; F21-L42 HydrophobicContact CG-CD1 4.15Å; F21-L42 HydrophobicContact CG-CD2 4.38Å; F21-L42 HydrophobicContact CG-CG 4.22Å; A38-L42 WeakPolarHBondContact O-CB 3.34Å; A38-L42 WeakPolarHBondContact O-CG 3.21Å; A38-L42 PolarHBondContact O-N 3.42Å; L42-A44 VanDerWaalsContact C-N 3.3Å; L42-A44 PolarHBondContact O-N 3.03Å; L42-R45 CarbonylContact O-C 3.59Å; L42-R45 WeakPolarHBondContact O-CA 3.47Å; L42-R45 PolarHBondContact O-N 3Å; L42-K46 PolarHBondContact O-N 3.43Å; L42-F47 HydrophobicContact CB-CD1 3.65Å; L42-F47 HydrophobicContact CB-CE1 3.88Å; L42-F47 HydrophobicContact CB-CG 4.16Å; L42-F47 HydrophobicContact CD1-CD1 4.26Å; L42-F47 HydrophobicContact CG-CD1 4.38Å; L42-F47 PolarHBondContact O-N 2.55Å; L42-V49 HydrophobicContact CD2-CG2 4.1Å; L42-A52 HydrophobicContact CD2-CB 3.69Å; L42-A52 HydrophobicContact CG-CB 4.18Å
43A91.2Very high89.2Confident4 Ų435.9 Ų35.93%0.03318%0.177CC..Hα-helixtrans-58.3-41.217700000112.1F39 N40 R45 K46 F47 A135F39-A43 WeakPolarHBondContact O-CB 3.12Å; F39-A43 PolarHBondContact O-N 3.03Å; N40-A43 PolarHBondContact O-N 3.03Å; A43-R45 PolarHBondContact O-N 3.49Å; A43-K46 PolarHBondContact O-N 3.16Å; A43-K46 VanDerWaalsContact O-N 3.17Å; A43-F47 HydrophobicContact CB-CE2 4.2Å; A43-F47 HydrophobicContact CB-CZ 4.4Å; A43-A135 HydrophobicContact CB-CB 4.09Å
44A90.9Very high90Very high1 Ų136.8 Ų36.81%0.00818%0.181CC..Hα-helixtrans-56.3-34.5175.100000112.7N40 I41 L42 L55 R172N40-A44 VanDerWaalsContact O-CB 3.31Å; N40-A44 WeakPolarHBondContact O-CB 3.42Å; N40-A44 PolarHBondContact O-N 2.87Å; I41-A44 WeakPolarHBondContact O-CB 3.43Å; I41-A44 PolarHBondContact O-N 3.26Å; L42-A44 VanDerWaalsContact C-N 3.3Å; L42-A44 PolarHBondContact O-N 3.03Å; A44-L55 HydrophobicContact CB-CD2 3.77Å; A44-R172 PolarHBondContact O-NH1 2.9Å
45R92.1Very high90.5Very high45 Ų4533.6 Ų33.617%0.1717%0.169CC..THydrogen-bonded Turntrans-109.327.6179.7-60.2-63.6-171.7-104.79.4113.9I41 L42 A43 F47 S48 Q51 L55I41-R45 PolarHBondContact O-N 3.19Å; L42-R45 CarbonylContact O-C 3.59Å; L42-R45 WeakPolarHBondContact O-CA 3.47Å; L42-R45 PolarHBondContact O-N 3Å; A43-R45 PolarHBondContact O-N 3.49Å; R45-F47 VanDerWaalsContact C-N 3.25Å; R45-F47 PolarHBondContact O-N 2.97Å; R45-S48 VanDerWaalsContact O-CB 3.31Å; R45-S48 WeakPolarHBondContact O-CB 3.37Å; R45-S48 PolarHBondContact O-N 3.27Å; R45-Q51 HydrophobicContact CB-CB 3.98Å; R45-Q51 HydrophobicContact CG-CB 4.08Å; R45-L55 HydrophobicContact CG-CB 4.28Å; R45-L55 HydrophobicContact CG-CD2 3.79Å
46K90.5Very high90.9Very high154 Ų15432.2 Ų32.267%0.6716%0.162SC*.THydrogen-bonded Turntrans52.933.6177.5-55-178.6178.6177.20114.9L42 A43 S48L42-K46 PolarHBondContact O-N 3.43Å; A43-K46 PolarHBondContact O-N 3.16Å; A43-K46 VanDerWaalsContact O-N 3.17Å; K46-S48 VanDerWaalsContact C-N 3.27Å; K46-S48 PolarHBondContact O-N 3.4Å
47F91.3Very high91.1Very high20 Ų2036.3 Ų36.39%0.08818%0.181CC..THydrogen-bonded Turntrans58.733.7-174-62.1-98.4000113.8E14 K17 I18 F39 L42 A43 R45E14-F47 HydrophobicContact CB-CD1 4Å; E14-F47 HydrophobicContact CB-CE1 3.89Å; E14-F47 HydrophobicContact CB-CZ 4.4Å; E14-F47 HydrophobicContact CG-CD1 3.86Å; E14-F47 HydrophobicContact CG-CD2 4.16Å; E14-F47 HydrophobicContact CG-CE1 3.95Å; E14-F47 HydrophobicContact CG-CE2 4.24Å; E14-F47 HydrophobicContact CG-CG 3.99Å; E14-F47 HydrophobicContact CG-CZ 4.14Å; E14-F47 VanDerWaalsContact OE1-CE2 3.26Å; E14-F47 WeakPolarHBondContact OE1-CE2 3.35Å; E14-F47 WeakPolarHBondContact OE1-CZ 3.48Å; K17-F47 HydrophobicContact CD-CB 4.11Å; K17-F47 WeakPolarHBondContact CD-O 3.32Å; I18-F47 HydrophobicContact CD1-CE1 4.28Å; I18-F47 HydrophobicContact CG1-CE1 4.28Å; F39-F47 HydrophobicContact CD2-CE1 4.31Å; F39-F47 AromaticContact CD2-CZ 3.94Å; F39-F47 HydrophobicContact CD2-CZ 3.94Å; F39-F47 AromaticContact CE2-CZ 3.79Å; F39-F47 HydrophobicContact CE2-CZ 3.79Å; L42-F47 HydrophobicContact CB-CD1 3.65Å; L42-F47 HydrophobicContact CB-CE1 3.88Å; L42-F47 HydrophobicContact CB-CG 4.16Å; L42-F47 HydrophobicContact CD1-CD1 4.26Å; L42-F47 HydrophobicContact CG-CD1 4.38Å; L42-F47 PolarHBondContact O-N 2.55Å; A43-F47 HydrophobicContact CB-CE2 4.2Å; A43-F47 HydrophobicContact CB-CZ 4.4Å; R45-F47 VanDerWaalsContact C-N 3.25Å; R45-F47 PolarHBondContact O-N 2.97Å
48S91.1Very high91.2Very high39 Ų3937.5 Ų37.527%0.27319%0.187SC..  trans-85.9107.8163.6-179.20000109.6R45 K46 Q51 A52R45-S48 VanDerWaalsContact O-CB 3.31Å; R45-S48 WeakPolarHBondContact O-CB 3.37Å; R45-S48 PolarHBondContact O-N 3.27Å; K46-S48 VanDerWaalsContact C-N 3.27Å; K46-S48 PolarHBondContact O-N 3.4Å; S48-Q51 PolarHBondContact O-N 2.9Å; S48-A52 VanDerWaalsContact O-CB 3.26Å; S48-A52 WeakPolarHBondContact O-CB 3.36Å; S48-A52 PolarHBondContact O-N 3.33Å
49V90.8Very high91.2Very high10 Ų1038.4 Ų38.46%0.06119%0.19CC..Hα-helixtrans-60.7-43.4-176.6179.80000112.8K17 E20 F21 L24 L42 Q51 A52 M53K17-V49 HydrophobicContact CB-CG2 4.07Å; K17-V49 HydrophobicContact CG-CG2 4.14Å; E20-V49 HydrophobicContact CG-CG1 4.37Å; E20-V49 HydrophobicContact CG-CG2 4.47Å; F21-V49 HydrophobicContact CB-CG1 4.3Å; F21-V49 HydrophobicContact CD2-CG1 4.48Å; L24-V49 HydrophobicContact CD1-CG1 3.67Å; L42-V49 HydrophobicContact CD2-CG2 4.1Å; V49-Q51 PolarHBondContact O-N 2.93Å; V49-A52 WeakPolarHBondContact O-CB 3.46Å; V49-A52 PolarHBondContact O-N 3.38Å; V49-M53 WeakPolarHBondContact O-CG 3.45Å; V49-M53 PolarHBondContact O-N 3.5Å
50P90.8Very high91.1Very high102 Ų10242 Ų4266%0.66221%0.207SC*.Hα-helixtrans-61.8-45.5177.6-24.935.6000113.4A52 M53 E54P50-A52 VanDerWaalsContact C-N 3.29Å; P50-A52 PolarHBondContact O-N 2.88Å; P50-M53 PolarHBondContact O-N 2.91Å; P50-E54 PolarHBondContact O-N 2.99Å; P50-E54 VanDerWaalsContact O-N 3.08Å
51Q89.9Confident90.9Very high79 Ų7946.1 Ų46.137%0.36923%0.233SC..Hα-helixtrans-69.7-28.6177.8-67.7178.7-6.300112.2R45 S48 V49 L55R45-Q51 HydrophobicContact CB-CB 3.98Å; R45-Q51 HydrophobicContact CG-CB 4.08Å; S48-Q51 PolarHBondContact O-N 2.9Å; V49-Q51 PolarHBondContact O-N 2.93Å; Q51-L55 WeakPolarHBondContact O-CB 3.47Å; Q51-L55 PolarHBondContact O-N 2.97Å; Q51-L55 VanDerWaalsContact O-N 3.07Å
52A92.1Very high90.6Very high0 Ų046.6 Ų46.60%024%0.235CC..Hα-helixtrans-67.9-40.4171.400000111.4F21 I41 L42 S48 V49 P50 L55 Y56F21-A52 HydrophobicContact CD2-CB 3.76Å; F21-A52 HydrophobicContact CE2-CB 3.6Å; F21-A52 HydrophobicContact CZ-CB 4.49Å; I41-A52 HydrophobicContact CG2-CB 3.78Å; I41-A52 WeakPolarHBondContact CG2-O 3.45Å; L42-A52 HydrophobicContact CD2-CB 3.69Å; L42-A52 HydrophobicContact CG-CB 4.18Å; S48-A52 VanDerWaalsContact O-CB 3.26Å; S48-A52 WeakPolarHBondContact O-CB 3.36Å; S48-A52 PolarHBondContact O-N 3.33Å; V49-A52 WeakPolarHBondContact O-CB 3.46Å; V49-A52 PolarHBondContact O-N 3.38Å; P50-A52 VanDerWaalsContact C-N 3.29Å; P50-A52 PolarHBondContact O-N 2.88Å; A52-L55 PolarHBondContact O-N 3.19Å; A52-Y56 WeakPolarHBondContact O-CB 3.38Å; A52-Y56 PolarHBondContact O-N 3.11Å
53M91.1Very high90.3Very high35 Ų3548.1 Ų48.117%0.17224%0.243CC..Hα-helixtrans-64.9-41.4175.3-69.9-60.4-67.300111.8F21 L24 I25 V49 P50 Y56 H57F21-M53 HydrophobicContact CD2-CG 4.19Å; F21-M53 HydrophobicContact CD2-SD 3.67Å; F21-M53 HydrophobicContact CE2-CG 4.25Å; F21-M53 HydrophobicContact CE2-SD 3.62Å; L24-M53 HydrophobicContact CB-CE 3.82Å; L24-M53 HydrophobicContact CB-SD 3.85Å; L24-M53 HydrophobicContact CD1-CG 4.09Å; L24-M53 HydrophobicContact CD1-SD 4.23Å; I25-M53 HydrophobicContact CD1-SD 4.29Å; I25-M53 HydrophobicContact CG1-CE 4.01Å; I25-M53 HydrophobicContact CG1-SD 3.94Å; V49-M53 WeakPolarHBondContact O-CG 3.45Å; V49-M53 PolarHBondContact O-N 3.5Å; P50-M53 PolarHBondContact O-N 2.91Å; M53-Y56 PolarHBondContact O-N 3.4Å; M53-H57 PolarHBondContact O-N 3.06Å; M53-H57 VanDerWaalsContact O-N 3.08Å; M53-H57 PolarHBondContact O-ND1 2.91Å
54E90.8Very high90Very high105 Ų10551.4 Ų51.449%0.49127%0.27SS..Hα-helixtrans-57.9-49.7172.5-170.6-147.1138.100111.4P50 Y56 H57 N58P50-E54 PolarHBondContact O-N 2.99Å; P50-E54 VanDerWaalsContact O-N 3.08Å; E54-Y56 VanDerWaalsContact C-N 3.32Å; E54-Y56 PolarHBondContact O-N 3.46Å; E54-H57 PolarHBondContact O-N 2.84Å; E54-N58 WeakPolarHBondContact O-CB 3.17Å; E54-N58 PolarHBondContact O-N 3.31Å; E54-N58 PolarHBondContact O-ND2 2.96Å
55L92.1Very high89.6Confident0 Ų055 Ų550%030%0.295CS..Hα-helixtrans-61.9-36.8176.4177.658.1000112.5I41 A44 R45 Q51 A52 N58 Y59 S167I41-L55 HydrophobicContact CG2-CB 4.16Å; I41-L55 HydrophobicContact CG2-CD2 4.01Å; I41-L55 HydrophobicContact CG2-CG 4.11Å; A44-L55 HydrophobicContact CB-CD2 3.77Å; R45-L55 HydrophobicContact CG-CB 4.28Å; R45-L55 HydrophobicContact CG-CD2 3.79Å; Q51-L55 WeakPolarHBondContact O-CB 3.47Å; Q51-L55 PolarHBondContact O-N 2.97Å; Q51-L55 VanDerWaalsContact O-N 3.07Å; A52-L55 PolarHBondContact O-N 3.19Å; L55-N58 PolarHBondContact O-N 2.76Å; L55-Y59 VanDerWaalsContact O-CB 3.29Å; L55-Y59 WeakPolarHBondContact O-CB 3.47Å; L55-Y59 PolarHBondContact O-N 2.97Å; L55-S167 VanDerWaalsContact CD1-O 3.3Å; L55-S167 WeakPolarHBondContact CD1-O 3.37Å
56Y91.8Very high89.1Confident18 Ų1854.4 Ų54.47%0.07129%0.294CS..Hα-helixtrans-63.1-46.7176.3178.4-110.3000111.9F21 I25 N27 I41 A52 M53 E54 Y59 Q60F21-Y56 HydrophobicContact CZ-CG 4.38Å; I25-Y56 HydrophobicContact CB-CE1 4.49Å; I25-Y56 HydrophobicContact CD1-CD1 3.68Å; I25-Y56 HydrophobicContact CD1-CD2 3.95Å; I25-Y56 HydrophobicContact CD1-CE1 3.74Å; I25-Y56 HydrophobicContact CD1-CE2 4.02Å; I25-Y56 HydrophobicContact CD1-CG 3.79Å; I25-Y56 HydrophobicContact CG1-CD1 3.97Å; I25-Y56 HydrophobicContact CG1-CE1 3.83Å; I25-Y56 HydrophobicContact CG2-CE1 3.85Å; N27-Y56 PolarHBondContact ND2-OH 3.03Å; I41-Y56 HydrophobicContact CD1-CD2 3.7Å; I41-Y56 HydrophobicContact CD1-CG 4.4Å; A52-Y56 WeakPolarHBondContact O-CB 3.38Å; A52-Y56 PolarHBondContact O-N 3.11Å; M53-Y56 PolarHBondContact O-N 3.4Å; E54-Y56 VanDerWaalsContact C-N 3.32Å; E54-Y56 PolarHBondContact O-N 3.46Å; Y56-Y59 WeakPolarHBondContact O-CB 3.42Å; Y56-Y59 PolarHBondContact O-N 2.85Å; Y56-Q60 HydrophobicContact CD1-CG 4.44Å; Y56-Q60 HydrophobicContact CD2-CG 4.29Å; Y56-Q60 HydrophobicContact CE1-CG 4.03Å; Y56-Q60 HydrophobicContact CE2-CG 3.86Å; Y56-Q60 WeakPolarHBondContact O-CG 3.49Å; Y56-Q60 PolarHBondContact O-N 3.13Å
57H90.9Very high88.7Confident109 Ų10954 Ų5451%0.50530%0.295SS..Hα-helixtrans-62.3-46175.2-69.190.6000111.2M53 E54 Y59 Q60 T61M53-H57 PolarHBondContact O-N 3.06Å; M53-H57 VanDerWaalsContact O-N 3.08Å; M53-H57 PolarHBondContact O-ND1 2.91Å; E54-H57 PolarHBondContact O-N 2.84Å; H57-Y59 PolarHBondContact O-N 3.21Å; H57-Q60 PolarHBondContact O-N 3.42Å; H57-T61 WeakPolarHBondContact O-CB 3.45Å; H57-T61 PolarHBondContact O-N 3.33Å; H57-T61 PolarHBondContact O-OG1 2.81Å; H57-T61 VanDerWaalsContact O-OG1 3.1Å
58N89.4Confident88.2Confident55 Ų5553.7 Ų53.729%0.29429%0.294SS..Hα-helixtrans-61.8-27.2176.7-70.9-23.6000113.3E54 L55 F62 S167 S168E54-N58 WeakPolarHBondContact O-CB 3.17Å; E54-N58 PolarHBondContact O-N 3.31Å; E54-N58 PolarHBondContact O-ND2 2.96Å; L55-N58 PolarHBondContact O-N 2.76Å; N58-F62 VanDerWaalsContact O-CB 3.3Å; N58-F62 WeakPolarHBondContact O-CB 3.36Å; N58-F62 PolarHBondContact O-N 3.2Å; N58-S167 WeakPolarHBondContact CB-O 3.39Å; N58-S168 VanDerWaalsContact O-CB 3.27Å; N58-S168 WeakPolarHBondContact O-CB 3.35Å; N58-S168 PolarHBondContact O-OG 2.71Å
59Y90.8Very high87.4Confident20 Ų2058.9 Ų58.98%0.07832%0.324CS..Hα-helixtrans-76.9-47.6173.8-175.6-130.4000112.4L37 L55 Y56 H57 F62 L63 S168 Y169 P170L37-Y59 HydrophobicContact CD1-CD1 4.13Å; L37-Y59 HydrophobicContact CD1-CE1 3.57Å; L37-Y59 HydrophobicContact CD2-CE1 4.04Å; L37-Y59 HydrophobicContact CG-CE1 4.45Å; L55-Y59 VanDerWaalsContact O-CB 3.29Å; L55-Y59 WeakPolarHBondContact O-CB 3.47Å; L55-Y59 PolarHBondContact O-N 2.97Å; Y56-Y59 WeakPolarHBondContact O-CB 3.42Å; Y56-Y59 PolarHBondContact O-N 2.85Å; H57-Y59 PolarHBondContact O-N 3.21Å; Y59-F62 PolarHBondContact O-N 2.97Å; Y59-L63 HydrophobicContact CD1-CD1 4.17Å; Y59-L63 HydrophobicContact CD2-CD1 4.39Å; Y59-L63 HydrophobicContact CD2-CG 4.24Å; Y59-L63 HydrophobicContact CE1-CD1 3.74Å; Y59-L63 HydrophobicContact CE2-CD1 4Å; Y59-L63 HydrophobicContact CE2-CD2 4.05Å; Y59-L63 HydrophobicContact CE2-CG 3.96Å; Y59-L63 HydrophobicContact CG-CD1 4.48Å; Y59-L63 WeakPolarHBondContact O-CG 3.45Å; Y59-L63 PolarHBondContact O-N 3.45Å; Y59-S168 WeakPolarHBondContact CA-O 3.41Å; Y59-S168 WeakPolarHBondContact CB-O 3.47Å; Y59-S168 VanDerWaalsContact CD2-O 3.26Å; Y59-S168 WeakPolarHBondContact CD2-O 3.34Å; Y59-S168 PolarHBondContact N-O 3.35Å; Y59-Y169 AromaticContact CE2-CD2 4Å; Y59-Y169 HydrophobicContact CE2-CD2 4Å; Y59-Y169 HydrophobicContact CE2-CE2 4.36Å; Y59-P170 HydrophobicContact CE1-CG 4.49Å; Y59-P170 HydrophobicContact CE2-CG 4.27Å
60Q88.4Confident86.8Confident76 Ų7665 Ų6536%0.35535%0.346SS..Hα-helixtrans-61.2-45.4177.3-65.5-60.1-9000111.4Y56 H57 F62 L63 A64Y56-Q60 HydrophobicContact CD1-CG 4.44Å; Y56-Q60 HydrophobicContact CD2-CG 4.29Å; Y56-Q60 HydrophobicContact CE1-CG 4.03Å; Y56-Q60 HydrophobicContact CE2-CG 3.86Å; Y56-Q60 WeakPolarHBondContact O-CG 3.49Å; Y56-Q60 PolarHBondContact O-N 3.13Å; H57-Q60 PolarHBondContact O-N 3.42Å; Q60-F62 VanDerWaalsContact C-N 3.31Å; Q60-F62 PolarHBondContact O-N 3.29Å; Q60-L63 PolarHBondContact O-N 2.9Å; Q60-A64 WeakPolarHBondContact O-CB 3.48Å; Q60-A64 PolarHBondContact O-N 3.11Å
61T87.7Confident86.5Confident97 Ų9761 Ų6160%0.59532%0.32SS*.Hα-helixtrans-60.8-39.4175.5-59.40000111.9H57 S65H57-T61 WeakPolarHBondContact O-CB 3.45Å; H57-T61 PolarHBondContact O-N 3.33Å; H57-T61 PolarHBondContact O-OG1 2.81Å; H57-T61 VanDerWaalsContact O-OG1 3.1Å; T61-S65 VanDerWaalsContact O-CB 3.29Å; T61-S65 WeakPolarHBondContact O-CB 3.43Å; T61-S65 PolarHBondContact O-N 3.3Å; T61-S65 PolarHBondContact O-OG 3.45Å
62F86.9Confident86.4Confident10 Ų1059.9 Ų59.94%0.04432%0.316CS..Hα-helixtrans-64.5-51.5176.1170.5-103.7000112.2N58 Y59 Q60 A64 S65 E66 L118 I122 M164N58-F62 VanDerWaalsContact O-CB 3.3Å; N58-F62 WeakPolarHBondContact O-CB 3.36Å; N58-F62 PolarHBondContact O-N 3.2Å; Y59-F62 PolarHBondContact O-N 2.97Å; Q60-F62 VanDerWaalsContact C-N 3.31Å; Q60-F62 PolarHBondContact O-N 3.29Å; F62-A64 VanDerWaalsContact C-N 3.29Å; F62-A64 PolarHBondContact O-N 3.18Å; F62-S65 WeakPolarHBondContact CA-OG 3.24Å; F62-S65 PolarHBondContact O-N 3.48Å; F62-S65 VanDerWaalsContact O-N 3.11Å; F62-S65 PolarHBondContact O-OG 3Å; F62-E66 HydrophobicContact CD2-CG 4.08Å; F62-E66 HydrophobicContact CE2-CG 3.64Å; F62-E66 HydrophobicContact CZ-CG 4.06Å; F62-E66 PolarHBondContact O-N 3.19Å; F62-L118 HydrophobicContact CZ-CD1 4.46Å; F62-L118 HydrophobicContact CZ-CD2 4.19Å; F62-I122 HydrophobicContact CE1-CD1 4.05Å; F62-I122 HydrophobicContact CZ-CD1 4.33Å; F62-M164 HydrophobicContact CE1-CB 4.5Å; F62-M164 HydrophobicContact CE1-CG 3.75Å; F62-M164 HydrophobicContact CE1-SD 3.85Å; F62-M164 HydrophobicContact CE2-CB 3.96Å; F62-M164 HydrophobicContact CE2-CG 4.11Å; F62-M164 HydrophobicContact CZ-CB 3.86Å; F62-M164 HydrophobicContact CZ-CG 3.52Å; F62-M164 HydrophobicContact CZ-SD 3.54Å; F62-M164 VanDerWaalsContact CZ-SD 3.54Å
63L86.4Confident86.3Confident32 Ų3259.9 Ų59.917%0.16832%0.316CS..Hα-helixtrans-57.5-41.6178-70.1176.6000112.1Y59 Q60 Q67 I68Y59-L63 HydrophobicContact CD1-CD1 4.17Å; Y59-L63 HydrophobicContact CD2-CD1 4.39Å; Y59-L63 HydrophobicContact CD2-CG 4.24Å; Y59-L63 HydrophobicContact CE1-CD1 3.74Å; Y59-L63 HydrophobicContact CE2-CD1 4Å; Y59-L63 HydrophobicContact CE2-CD2 4.05Å; Y59-L63 HydrophobicContact CE2-CG 3.96Å; Y59-L63 HydrophobicContact CG-CD1 4.48Å; Y59-L63 WeakPolarHBondContact O-CG 3.45Å; Y59-L63 PolarHBondContact O-N 3.45Å; Q60-L63 PolarHBondContact O-N 2.9Å; L63-Q67 PolarHBondContact O-N 3.35Å; L63-Q67 VanDerWaalsContact O-N 3.16Å; L63-I68 HydrophobicContact CD2-CB 3.91Å; L63-I68 HydrophobicContact CD2-CG2 3.95Å; L63-I68 PolarHBondContact O-N 3.29Å
64A84.9Confident86.1Confident73 Ų7360.4 Ų60.460%0.60332%0.318SS*.Hα-helixtrans-64-45.7174.600000111.9Q60 F62 E66 Q67Q60-A64 WeakPolarHBondContact O-CB 3.48Å; Q60-A64 PolarHBondContact O-N 3.11Å; F62-A64 VanDerWaalsContact C-N 3.29Å; F62-A64 PolarHBondContact O-N 3.18Å; A64-E66 PolarHBondContact O-N 2.89Å; A64-Q67 PolarHBondContact O-N 2.98Å
65S83Confident85.9Confident75 Ų7559.2 Ų59.252%0.52431%0.312SS..Hα-helixtrans-66.5-31.2-176.968.90000114.6T61 F62T61-S65 VanDerWaalsContact O-CB 3.29Å; T61-S65 WeakPolarHBondContact O-CB 3.43Å; T61-S65 PolarHBondContact O-N 3.3Å; T61-S65 PolarHBondContact O-OG 3.45Å; F62-S65 WeakPolarHBondContact CA-OG 3.24Å; F62-S65 PolarHBondContact O-N 3.48Å; F62-S65 VanDerWaalsContact O-N 3.11Å; F62-S65 PolarHBondContact O-OG 3Å
66E81.7Confident85.5Confident34 Ų3462.1 Ų62.116%0.15933%0.326CS..THydrogen-bonded Turntrans-96.84.4176.3-57.4-65.315600112.3F62 A64 I68 R115 L118 K160F62-E66 HydrophobicContact CD2-CG 4.08Å; F62-E66 HydrophobicContact CE2-CG 3.64Å; F62-E66 HydrophobicContact CZ-CG 4.06Å; F62-E66 PolarHBondContact O-N 3.19Å; A64-E66 PolarHBondContact O-N 2.89Å; E66-I68 HydrophobicContact CB-CD1 3.72Å; E66-I68 HydrophobicContact CB-CG1 3.77Å; E66-I68 PolarHBondContact O-N 3.19Å; E66-R115 PolarHBondContact O-NH1 3.1Å; E66-L118 HydrophobicContact CB-CD2 4.35Å; E66-L118 HydrophobicContact CG-CD2 3.94Å; E66-K160 IonicContact OE1-NZ 2.79Å; E66-K160 PolarHBondContact OE1-NZ 3.45Å; E66-K160 IonicContact OE2-NZ 3.47Å; E66-K160 PolarHBondContact OE2-NZ 3.48Å
67Q81.1Confident85.3Confident146 Ų14665.2 Ų65.268%0.68234%0.343SS*.THydrogen-bonded Turntrans53.951.3-178.7-55177.47.800112.9L63 A64 R115L63-Q67 PolarHBondContact O-N 3.35Å; L63-Q67 VanDerWaalsContact O-N 3.16Å; A64-Q67 PolarHBondContact O-N 2.98Å; Q67-R115 PolarHBondContact O-NH1 2.89Å; Q67-R115 VanDerWaalsContact O-NH1 3.09Å; Q67-R115 PolarHBondContact O-NH2 3.37Å
68I80.6Confident85.3Confident13 Ų1360 Ų607%0.06732%0.319CS..  trans-108.596.3-177.5-52.7-178.4000109.2L63 E66 V71 L118 I122L63-I68 HydrophobicContact CD2-CB 3.91Å; L63-I68 HydrophobicContact CD2-CG2 3.95Å; L63-I68 PolarHBondContact O-N 3.29Å; E66-I68 HydrophobicContact CB-CD1 3.72Å; E66-I68 HydrophobicContact CB-CG1 3.77Å; E66-I68 PolarHBondContact O-N 3.19Å; I68-V71 HydrophobicContact CG2-CG2 3.92Å; I68-L118 HydrophobicContact CD1-CD2 4.46Å; I68-I122 HydrophobicContact CD1-CD1 3.5Å; I68-I122 VanDerWaalsContact CD1-CD1 3.5Å
69T73.7Confident85.4Confident147 Ų14758.3 Ų58.390%0.90231%0.309SS*.SBendtrans-94.4-39.7175.651.60000112.2
70R80Confident85.3Confident140 Ų14063.1 Ų63.153%0.52833%0.327SS..  trans-152.8139.6173.1176.2174.8174.3168.8-2.3107.7W243R70-W243 HydrophobicContact CG-CZ2 4.49Å; R70-W243 VanDerWaalsContact NE-CZ2 3.28Å
71V84.2Confident85.4Confident17 Ų1761.2 Ų61.210%0.10332%0.318CS..  trans-94.3124.2167.2178.10000108.4I68 V78 H119 I122 F123 W243I68-V71 HydrophobicContact CG2-CG2 3.92Å; V71-V78 HydrophobicContact CG1-CG1 4.24Å; V71-H119 HydrophobicContact CG1-CB 3.86Å; V71-H119 HydrophobicContact CG2-CB 4.22Å; V71-I122 HydrophobicContact CG2-CG2 4.15Å; V71-F123 HydrophobicContact CG1-CB 3.98Å; V71-W243 WeakPolarHBondContact O-CZ2 3.47Å
72D87.6Confident85.6Confident56 Ų5656.6 Ų56.630%0.29929%0.289SS..  trans-100.7119.9171-166.2-36.2000109F74 E75 V78 W243D72-F74 VanDerWaalsContact C-N 3.28Å; D72-F74 PolarHBondContact O-N 3.2Å; D72-F74 WeakPolarHBondContact OD1-CA 3.41Å; D72-F74 WeakPolarHBondContact OD1-CB 3.43Å; D72-F74 PolarHBondContact OD1-N 3.32Å; D72-E75 HydrophobicContact CB-CB 4.21Å; D72-E75 WeakPolarHBondContact O-CB 3.45Å; D72-E75 PolarHBondContact O-N 2.79Å; D72-E75 PolarHBondContact OD1-N 3.45Å; D72-V78 WeakPolarHBondContact O-CB 3.34Å; D72-W243 HydrophobicContact CB-CH2 3.75Å; D72-W243 HydrophobicContact CB-CZ2 4.25Å; D72-W243 HydrophobicContact CB-CZ3 4.5Å; D72-W243 WeakPolarHBondContact OD1-CH2 3.32Å; D72-W243 WeakPolarHBondContact OD1-CZ3 3.47Å; D72-W243 WeakPolarHBondContact OD2-CH2 3.46Å; D72-W243 WeakPolarHBondContact OD2-CZ3 3.36Å
73P89.3Confident85.8Confident0 Ų057.4 Ų57.40%029%0.294CS..THydrogen-bonded Turntrans-75.6-16.2178.233.3-35.8000112.9R79 L82 F123 L238 W243 F265P73-R79 WeakPolarHBondContact O-CA 3.48Å; P73-R79 WeakPolarHBondContact O-CB 3.33Å; P73-L82 HydrophobicContact CB-CD1 3.66Å; P73-F123 HydrophobicContact CB-CD1 4.39Å; P73-F123 HydrophobicContact CB-CD2 4.14Å; P73-F123 HydrophobicContact CB-CE1 4.12Å; P73-F123 HydrophobicContact CB-CE2 3.85Å; P73-F123 HydrophobicContact CB-CG 4.4Å; P73-F123 HydrophobicContact CB-CZ 3.85Å; P73-F123 HydrophobicContact CG-CD2 4.31Å; P73-F123 HydrophobicContact CG-CE2 3.72Å; P73-F123 HydrophobicContact CG-CZ 3.95Å; P73-L238 HydrophobicContact CB-CD2 3.95Å; P73-L238 HydrophobicContact CG-CD2 3.62Å; P73-W243 VanDerWaalsContact CD-CD2 3.49Å; P73-W243 HydrophobicContact CG-CB 4.1Å; P73-W243 HydrophobicContact CG-CD2 3.74Å; P73-W243 HydrophobicContact CG-CE3 4.19Å; P73-W243 HydrophobicContact CG-CG 3.71Å; P73-F265 HydrophobicContact CB-CE2 4.12Å; P73-F265 WeakPolarHBondContact O-CE2 3.5Å
74F87.4Confident86Confident46 Ų4656.9 Ų56.920%0.20229%0.293CS..THydrogen-bonded Turntrans-89.6-8.1175.6-65.7-90.4000113.1D72 E76 L238 W243 Q260 F265D72-F74 VanDerWaalsContact C-N 3.28Å; D72-F74 PolarHBondContact O-N 3.2Å; D72-F74 WeakPolarHBondContact OD1-CA 3.41Å; D72-F74 WeakPolarHBondContact OD1-CB 3.43Å; D72-F74 PolarHBondContact OD1-N 3.32Å; F74-E76 PolarHBondContact O-N 2.87Å; F74-E76 VanDerWaalsContact O-N 3.17Å; F74-L238 HydrophobicContact CE2-CD2 4.4Å; F74-W243 AromaticContact CD2-CE3 3.84Å; F74-W243 HydrophobicContact CD2-CE3 3.84Å; F74-W243 HydrophobicContact CD2-CZ3 4.27Å; F74-W243 HydrophobicContact CE2-CB 4.21Å; F74-W243 HydrophobicContact CE2-CE3 4.02Å; F74-Q260 HydrophobicContact CE2-CB 4.3Å; F74-Q260 HydrophobicContact CE2-CG 3.97Å; F74-Q260 HydrophobicContact CZ-CB 4Å; F74-Q260 HydrophobicContact CZ-CG 4.04Å; F74-F265 HydrophobicContact CD1-CB 4.48Å; F74-F265 HydrophobicContact CD1-CD2 4.07Å; F74-F265 HydrophobicContact CE1-CB 3.82Å; F74-F265 AromaticContact CE1-CD2 3.98Å; F74-F265 HydrophobicContact CE1-CD2 3.98Å; F74-F265 HydrophobicContact CE1-CG 4.41Å; F74-F265 HydrophobicContact CZ-CB 4.41Å; F74-F265 HydrophobicContact CZ-CD2 4.36Å
75E86.9Confident86.1Confident80 Ų8053.4 Ų53.437%0.37427%0.265SS..SBendtrans-55.5118165.2178.3178.9-165.600108.1D72 D77 V78 R79 H119D72-E75 HydrophobicContact CB-CB 4.21Å; D72-E75 WeakPolarHBondContact O-CB 3.45Å; D72-E75 PolarHBondContact O-N 2.79Å; D72-E75 PolarHBondContact OD1-N 3.45Å; E75-D77 VanDerWaalsContact C-N 3.28Å; E75-D77 PolarHBondContact O-N 3.37Å; E75-D77 VanDerWaalsContact O-N 3.11Å; E75-V78 HydrophobicContact CB-CB 4.18Å; E75-V78 HydrophobicContact CB-CG2 3.97Å; E75-V78 HydrophobicContact CG-CG2 4.01Å; E75-V78 CarbonylContact O-C 3.53Å; E75-V78 WeakPolarHBondContact O-CA 3.27Å; E75-V78 WeakPolarHBondContact O-CB 3.41Å; E75-V78 PolarHBondContact O-N 2.67Å; E75-V78 VanDerWaalsContact OE2-CG2 3.23Å; E75-V78 WeakPolarHBondContact OE2-CG2 3.24Å; E75-R79 PolarHBondContact O-N 2.78Å; E75-H119 IonicContact OE2-ND1 3.58Å
76E84Confident86.5Confident61 Ų6150.9 Ų50.929%0.28524%0.244SC..Hα-helixtrans-57.1-36.4-162.9168.359.6-166.700113.7F74 R79 R80F74-E76 PolarHBondContact O-N 2.87Å; F74-E76 VanDerWaalsContact O-N 3.17Å; E76-R79 PolarHBondContact O-N 2.73Å; E76-R79 IonicContact OE1-NH2 3.68Å; E76-R79 PolarHBondContact OE1-NH2 3.46Å; E76-R79 IonicContact OE2-CZ 3.5Å; E76-R79 IonicContact OE2-NE 3.61Å; E76-R79 PolarHBondContact OE2-NE 3.45Å; E76-R79 IonicContact OE2-NH2 3.97Å; E76-R79 PolarHBondContact OE2-NH2 3.19Å; E76-R80 WeakPolarHBondContact O-CB 3.34Å; E76-R80 VanDerWaalsContact O-CG 3.31Å; E76-R80 WeakPolarHBondContact O-CG 3.43Å; E76-R80 PolarHBondContact O-N 2.93Å; E76-R80 WeakPolarHBondContact OE1-CD 3.33Å; E76-R80 WeakPolarHBondContact OE1-CG 3.49Å; E76-R80 IonicContact OE1-CZ 3.69Å; E76-R80 IonicContact OE1-NE 3.96Å; E76-R80 IonicContact OE1-NH1 3.48Å; E76-R80 PolarHBondContact OE1-NH1 2.92Å
77D87.7Confident87.1Confident82 Ų8249.4 Ų49.444%0.43924%0.237SC..Hα-helixtrans-67.6-40.1173.2-74.2-54.1000112.9E75 R80 E81 A116E75-D77 VanDerWaalsContact C-N 3.28Å; E75-D77 PolarHBondContact O-N 3.37Å; E75-D77 VanDerWaalsContact O-N 3.11Å; D77-R80 PolarHBondContact O-N 2.9Å; D77-R80 IonicContact OD1-CZ 3.67Å; D77-R80 IonicContact OD1-NE 2.67Å; D77-R80 PolarHBondContact OD1-NE 3.17Å; D77-R80 IonicContact OD1-NH2 2.64Å; D77-R80 PolarHBondContact OD1-NH2 3.4Å; D77-R80 IonicContact OD2-NH2 2.69Å; D77-E81 WeakPolarHBondContact O-CG 3.21Å; D77-E81 PolarHBondContact O-N 3Å; D77-A116 HydrophobicContact CB-CB 3.66Å
78V89.6Confident87.6Confident0 Ų042.6 Ų42.60%021%0.205CC..Hα-helixtrans-67-40.5174.8-175.90000110.1V71 D72 E75 E81 L82 A116 H119V71-V78 HydrophobicContact CG1-CG1 4.24Å; D72-V78 WeakPolarHBondContact O-CB 3.34Å; E75-V78 HydrophobicContact CB-CB 4.18Å; E75-V78 HydrophobicContact CB-CG2 3.97Å; E75-V78 HydrophobicContact CG-CG2 4.01Å; E75-V78 CarbonylContact O-C 3.53Å; E75-V78 WeakPolarHBondContact O-CA 3.27Å; E75-V78 WeakPolarHBondContact O-CB 3.41Å; E75-V78 PolarHBondContact O-N 2.67Å; E75-V78 VanDerWaalsContact OE2-CG2 3.23Å; E75-V78 WeakPolarHBondContact OE2-CG2 3.24Å; V78-E81 PolarHBondContact O-N 2.94Å; V78-L82 HydrophobicContact CG1-CD1 4.07Å; V78-L82 HydrophobicContact CG1-CG 4.32Å; V78-L82 WeakPolarHBondContact O-CB 3.37Å; V78-L82 VanDerWaalsContact O-CG 3.25Å; V78-L82 WeakPolarHBondContact O-CG 3.31Å; V78-L82 PolarHBondContact O-N 2.79Å; V78-A116 HydrophobicContact CG2-CB 4.37Å; V78-H119 HydrophobicContact CG1-CB 4.15Å; V78-H119 HydrophobicContact CG2-CB 3.75Å
79R91.2Very high88.1Confident20 Ų2042.3 Ų42.38%0.07520%0.204CC..Hα-helixtrans-59.7-46.6174.9-164.4-173.671.5101.4-0.6111.2P73 E75 E76 L82 L83 F265 G267P73-R79 WeakPolarHBondContact O-CA 3.48Å; P73-R79 WeakPolarHBondContact O-CB 3.33Å; E75-R79 PolarHBondContact O-N 2.78Å; E76-R79 PolarHBondContact O-N 2.73Å; E76-R79 IonicContact OE1-NH2 3.68Å; E76-R79 PolarHBondContact OE1-NH2 3.46Å; E76-R79 IonicContact OE2-CZ 3.5Å; E76-R79 IonicContact OE2-NE 3.61Å; E76-R79 PolarHBondContact OE2-NE 3.45Å; E76-R79 IonicContact OE2-NH2 3.97Å; E76-R79 PolarHBondContact OE2-NH2 3.19Å; R79-L82 PolarHBondContact O-N 2.59Å; R79-L83 HydrophobicContact CG-CD1 4.07Å; R79-L83 WeakPolarHBondContact O-CB 3.42Å; R79-L83 VanDerWaalsContact O-CG 3.3Å; R79-L83 WeakPolarHBondContact O-CG 3.48Å; R79-L83 PolarHBondContact O-N 3.42Å; R79-F265 HydrophobicContact CG-CD2 4.19Å; R79-F265 HydrophobicContact CG-CE2 3.92Å; R79-F265 HydrophobicContact CG-CZ 4.23Å; R79-F265 PolarHBondContact NH1-O 3.08Å; R79-G267 PolarHBondContact NH1-O 3.33Å
80R88.6Confident88.6Confident121 Ų12136.4 Ų36.446%0.45717%0.167SC..Hα-helixtrans-59.5-46.9174-77-170.3-73-120.415.4111.9E76 D77 L83 S84E76-R80 WeakPolarHBondContact O-CB 3.34Å; E76-R80 VanDerWaalsContact O-CG 3.31Å; E76-R80 WeakPolarHBondContact O-CG 3.43Å; E76-R80 PolarHBondContact O-N 2.93Å; E76-R80 WeakPolarHBondContact OE1-CD 3.33Å; E76-R80 WeakPolarHBondContact OE1-CG 3.49Å; E76-R80 IonicContact OE1-CZ 3.69Å; E76-R80 IonicContact OE1-NE 3.96Å; E76-R80 IonicContact OE1-NH1 3.48Å; E76-R80 PolarHBondContact OE1-NH1 2.92Å; D77-R80 PolarHBondContact O-N 2.9Å; D77-R80 IonicContact OD1-CZ 3.67Å; D77-R80 IonicContact OD1-NE 2.67Å; D77-R80 PolarHBondContact OD1-NE 3.17Å; D77-R80 IonicContact OD1-NH2 2.64Å; D77-R80 PolarHBondContact OD1-NH2 3.4Å; D77-R80 IonicContact OD2-NH2 2.69Å; R80-L83 PolarHBondContact O-N 3.26Å; R80-S84 WeakPolarHBondContact O-CB 3.32Å; R80-S84 PolarHBondContact O-N 2.69Å
81E91.5Very high87.9Confident35 Ų3536.3 Ų36.316%0.16418%0.177CC..Hα-helixtrans-67.4-35.5178.5-69.6-60.4119.700112.7D77 V78 S84 K86 A116 L117D77-E81 WeakPolarHBondContact O-CG 3.21Å; D77-E81 PolarHBondContact O-N 3Å; V78-E81 PolarHBondContact O-N 2.94Å; E81-S84 PolarHBondContact O-OG 3.31Å; E81-K86 IonicContact OE1-NZ 3.59Å; E81-K86 PolarHBondContact OE1-NZ 3.04Å; E81-K86 WeakPolarHBondContact OE2-CD 3.43Å; E81-K86 IonicContact OE2-NZ 2.78Å; E81-K86 PolarHBondContact OE2-NZ 3.5Å; E81-A116 HydrophobicContact CG-CB 4.01Å; E81-L117 HydrophobicContact CG-CB 4.25Å; E81-L117 WeakPolarHBondContact OE2-CD1 3.38Å
82L92Very high86.8Confident0 Ų036 Ų360%018%0.175CC..Hα-helixtrans-62.9-51171.6-73.5169.9000111.4P73 V78 R79 S84 S120 F123 Q124 H230 L234 F265P73-L82 HydrophobicContact CB-CD1 3.66Å; V78-L82 HydrophobicContact CG1-CD1 4.07Å; V78-L82 HydrophobicContact CG1-CG 4.32Å; V78-L82 WeakPolarHBondContact O-CB 3.37Å; V78-L82 VanDerWaalsContact O-CG 3.25Å; V78-L82 WeakPolarHBondContact O-CG 3.31Å; V78-L82 PolarHBondContact O-N 2.79Å; R79-L82 PolarHBondContact O-N 2.59Å; L82-S84 VanDerWaalsContact C-N 3.26Å; L82-S84 PolarHBondContact O-N 2.8Å; L82-S120 WeakPolarHBondContact CD2-O 3.25Å; L82-F123 HydrophobicContact CD1-CD1 4.06Å; L82-F123 HydrophobicContact CD1-CE1 4.36Å; L82-F123 HydrophobicContact CD2-CD1 3.84Å; L82-Q124 HydrophobicContact CD2-CG 3.79Å; L82-H230 PolarHBondContact O-NE2 3.2Å; L82-L234 HydrophobicContact CB-CD1 4.34Å; L82-L234 HydrophobicContact CB-CD2 4.21Å; L82-L234 HydrophobicContact CD2-CD2 3.83Å; L82-F265 HydrophobicContact CB-CZ 4.18Å; L82-F265 HydrophobicContact CD1-CE2 4.14Å; L82-F265 HydrophobicContact CD1-CZ 3.87Å
83L90.8Very high85.2Confident28 Ų2839.2 Ų39.215%0.14719%0.192CC..Hα-helixtrans-68.8-21.6-178.9-68.2173.4000113.3R79 R80 G85 Y231 L234 F265 F266R79-L83 HydrophobicContact CG-CD1 4.07Å; R79-L83 WeakPolarHBondContact O-CB 3.42Å; R79-L83 VanDerWaalsContact O-CG 3.3Å; R79-L83 WeakPolarHBondContact O-CG 3.48Å; R79-L83 PolarHBondContact O-N 3.42Å; R80-L83 PolarHBondContact O-N 3.26Å; L83-G85 PolarHBondContact O-N 3.23Å; L83-G85 VanDerWaalsContact O-N 3.15Å; L83-Y231 HydrophobicContact CD2-CE1 4.05Å; L83-L234 HydrophobicContact CD2-CD1 4.29Å; L83-F265 HydrophobicContact CD2-CD1 4.35Å; L83-F265 HydrophobicContact CD2-CE1 3.81Å; L83-F265 HydrophobicContact CG-CE1 4.25Å; L83-F266 HydrophobicContact CD2-CD1 3.54Å; L83-F266 HydrophobicContact CD2-CE1 3.84Å
84S89.6Confident83.3Confident20 Ų2046.2 Ų46.214%0.1423%0.229CC..THydrogen-bonded Turntrans-61.5-21.1-178.475.50000115.4R80 E81 L82 K86R80-S84 WeakPolarHBondContact O-CB 3.32Å; R80-S84 PolarHBondContact O-N 2.69Å; E81-S84 PolarHBondContact O-OG 3.31Å; L82-S84 VanDerWaalsContact C-N 3.26Å; L82-S84 PolarHBondContact O-N 2.8Å; S84-K86 PolarHBondContact O-N 3.5Å; S84-K86 WeakPolarHBondContact OG-CB 3.37Å; S84-K86 WeakPolarHBondContact OG-CD 3.39Å; S84-K86 VanDerWaalsContact OG-CG 3.26Å; S84-K86 WeakPolarHBondContact OG-CG 3.33Å; S84-K86 PolarHBondContact OG-N 3.36Å
85G88.3Confident81.6Confident1 Ų149.4 Ų49.41%0.0125%0.247CC..  trans67.88-173.700000115.1L83 F87 V88L83-G85 PolarHBondContact O-N 3.23Å; L83-G85 VanDerWaalsContact O-N 3.15Å; G85-F87 PolarHBondContact O-N 3.41Å; G85-V88 WeakPolarHBondContact O-CG2 3.44Å
86K91.3Very high80Confident22 Ų2250.4 Ų50.410%0.09626%0.261CS..SBendtrans-57.3-34.6175.6-70.4170.8-160.5173.30112.6E81 S84 F103 F104 L107E81-K86 IonicContact OE1-NZ 3.59Å; E81-K86 PolarHBondContact OE1-NZ 3.04Å; E81-K86 WeakPolarHBondContact OE2-CD 3.43Å; E81-K86 IonicContact OE2-NZ 2.78Å; E81-K86 PolarHBondContact OE2-NZ 3.5Å; S84-K86 PolarHBondContact O-N 3.5Å; S84-K86 WeakPolarHBondContact OG-CB 3.37Å; S84-K86 WeakPolarHBondContact OG-CD 3.39Å; S84-K86 VanDerWaalsContact OG-CG 3.26Å; S84-K86 WeakPolarHBondContact OG-CG 3.33Å; S84-K86 PolarHBondContact OG-N 3.36Å; K86-F103 HydrophobicContact CB-CE2 4.16Å; K86-F103 CarbonylContact O-C 3.52Å; K86-F103 VanDerWaalsContact O-CA 3.26Å; K86-F103 WeakPolarHBondContact O-CA 3.32Å; K86-F103 VanDerWaalsContact O-CD2 3.25Å; K86-F103 WeakPolarHBondContact O-CD2 3.43Å; K86-F104 PolarHBondContact O-N 2.78Å; K86-L107 VanDerWaalsContact CE-O 3.3Å; K86-L107 WeakPolarHBondContact CE-O 3.27Å; K86-L107 HydrophobicContact CG-CB 3.79Å
87F93.6Very high79Confident2 Ų248.6 Ų48.61%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-129124176.3-175.8-88.5000110.3G85 I89 A101 Q102 F103 I121 Q124 L125 F141 H230G85-F87 PolarHBondContact O-N 3.41Å; F87-I89 HydrophobicContact CE1-CD1 3.64Å; F87-I89 HydrophobicContact CE1-CG1 4.42Å; F87-I89 HydrophobicContact CZ-CD1 4.11Å; F87-A101 HydrophobicContact CE1-CB 4.25Å; F87-A101 HydrophobicContact CE2-CB 3.99Å; F87-A101 HydrophobicContact CZ-CB 3.6Å; F87-Q102 WeakPolarHBondContact CA-O 3.37Å; F87-F103 HydrophobicContact CB-CD2 4.19Å; F87-F103 HydrophobicContact CD2-CB 4.25Å; F87-F103 HydrophobicContact CD2-CD2 4.31Å; F87-I121 HydrophobicContact CB-CD1 4.49Å; F87-I121 HydrophobicContact CB-CG1 3.92Å; F87-I121 HydrophobicContact CD1-CG1 4.12Å; F87-I121 HydrophobicContact CD2-CD1 4.02Å; F87-I121 HydrophobicContact CD2-CG1 3.74Å; F87-I121 HydrophobicContact CD2-CG2 4.28Å; F87-I121 HydrophobicContact CE1-CG2 4.24Å; F87-I121 HydrophobicContact CE2-CG1 4.2Å; F87-I121 HydrophobicContact CE2-CG2 3.86Å; F87-I121 HydrophobicContact CG-CD1 4.37Å; F87-I121 HydrophobicContact CG-CG1 3.68Å; F87-I121 HydrophobicContact CZ-CG2 3.83Å; F87-Q124 HydrophobicContact CD1-CB 4.31Å; F87-Q124 HydrophobicContact CE1-CB 4.07Å; F87-Q124 PolarHBondContact O-NE2 3.08Å; F87-Q124 PolarHBondContact O-OE1 2.95Å; F87-L125 HydrophobicContact CE1-CG 4.46Å; F87-L125 HydrophobicContact CZ-CD1 4.5Å; F87-L125 HydrophobicContact CZ-CD2 4.07Å; F87-L125 HydrophobicContact CZ-CG 4.13Å; F87-F141 HydrophobicContact CD2-CE2 4.23Å; F87-F141 HydrophobicContact CE2-CD2 4.32Å; F87-F141 AromaticContact CE2-CE2 3.77Å; F87-F141 HydrophobicContact CE2-CE2 3.77Å; F87-H230 PolarHBondContact O-CE1 3.05Å
88V92Very high78.3Confident3 Ų347.5 Ų47.52%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-129.9138.1-173.9-176.20000110.3G85 L90 A101 Q102 F104 L226 H230G85-V88 WeakPolarHBondContact O-CG2 3.44Å; V88-L90 HydrophobicContact CG1-CD2 4Å; V88-A101 CarbonylContact O-C 3.57Å; V88-A101 WeakPolarHBondContact O-CA 3.16Å; V88-Q102 PolarHBondContact N-O 3.3Å; V88-Q102 PolarHBondContact O-N 2.99Å; V88-F104 HydrophobicContact CG2-CE2 4.09Å; V88-L226 HydrophobicContact CG1-CD1 4.26Å; V88-L226 HydrophobicContact CG2-CD1 4.4Å; V88-H230 HydrophobicContact CG1-CB 4.06Å; V88-H230 HydrophobicContact CG2-CB 4.32Å
89I90.5Very high78.1Confident8 Ų847.9 Ų47.94%0.04126%0.256CS..EExtended strand (participates in β ladder)trans-93.4124.7167.1-55.7-58.5000109.4F87 A101 Q124 L125 W233F87-I89 HydrophobicContact CE1-CD1 3.64Å; F87-I89 HydrophobicContact CE1-CG1 4.42Å; F87-I89 HydrophobicContact CZ-CD1 4.11Å; I89-A101 HydrophobicContact CD1-CB 3.59Å; I89-Q124 HydrophobicContact CG1-CB 4.22Å; I89-L125 HydrophobicContact CD1-CD2 4.37Å; I89-W233 HydrophobicContact CB-CD2 3.92Å; I89-W233 HydrophobicContact CB-CG 4.2Å; I89-W233 HydrophobicContact CB-CZ2 3.99Å; I89-W233 HydrophobicContact CG1-CD2 4.41Å; I89-W233 HydrophobicContact CG1-CZ2 3.71Å; I89-W233 HydrophobicContact CG2-CD2 4.37Å; I89-W233 HydrophobicContact CG2-CH2 4.46Å; I89-W233 HydrophobicContact CG2-CZ2 4.22Å
90L83.5Confident77.9Confident23 Ų2348.5 Ų48.512%0.1226%0.262CS..EExtended strand (participates in β ladder)trans-96.2148.8-178.2-54.4175.7000111.9V88 V100 Q102 L218V88-L90 HydrophobicContact CG1-CD2 4Å; L90-V100 HydrophobicContact CB-CB 4.3Å; L90-V100 HydrophobicContact CD1-CB 4.5Å; L90-V100 HydrophobicContact CD1-CG1 4.02Å; L90-V100 PolarHBondContact N-O 3.12Å; L90-Q102 HydrophobicContact CD1-CB 4.33Å; L90-L218 HydrophobicContact CD1-CD2 3.73Å
91N65.2Low78.1Confident138 Ų13842.8 Ų42.874%0.73824%0.24SC*.  trans55.752.7164.5-58.1-33000115.6
92D62.1Low78.1Confident10 Ų1041.2 Ų41.25%0.05323%0.233CC..  trans-74-26.2176.3-169.154.2000113.8R99 R131 W233 R240D92-R99 PolarHBondContact O-NH2 2.83Å; D92-R99 IonicContact OD1-CZ 2.71Å; D92-R99 VanDerWaalsContact OD1-CZ 3.25Å; D92-R99 IonicContact OD1-NE 2.74Å; D92-R99 PolarHBondContact OD1-NE 3.23Å; D92-R99 IonicContact OD1-NH2 2.68Å; D92-R99 PolarHBondContact OD1-NH2 2.76Å; D92-R131 PolarHBondContact O-NH1 3.13Å; D92-R131 IonicContact OD1-CZ 3.82Å; D92-R131 IonicContact OD1-NH1 3.52Å; D92-R131 PolarHBondContact OD1-NH1 2.83Å; D92-R131 IonicContact OD2-NH1 3.59Å; D92-R131 PolarHBondContact OD2-NH1 3.24Å; D92-W233 HydrophobicContact CB-CE3 4.08Å; D92-W233 HydrophobicContact CB-CZ3 4.08Å; D92-R240 IonicContact OD1-NH1 3.27Å; D92-R240 PolarHBondContact OD1-NH1 2.69Å; D92-R240 IonicContact OD2-CZ 3.5Å; D92-R240 IonicContact OD2-NH1 2.75Å; D92-R240 PolarHBondContact OD2-NH1 2.92Å; D92-R240 IonicContact OD2-NH2 2.87Å; D92-R240 PolarHBondContact OD2-NH2 2.65Å
93N53.2Low78.2Confident123 Ų12341.3 Ų41.366%0.65823%0.234SC*.SBendtrans-73.1-55.3-163.1-68.6-11.4000115.1
94D50.8Low78.3Confident147 Ų14740 Ų4079%0.78623%0.227SC*.SBendtrans-106.9-11.2-149.7-61-71.1000118.7
95I50.2Low78.3Confident113 Ų11339.2 Ų39.258%0.57922%0.221SC*.  trans-135139.4-170.5-52.8-177.6000112.4G97I95-G97 PolarHBondContact O-N 3.39Å
96P53.2Low78.4Confident101 Ų10142 Ų4266%0.65623%0.231SC*.SBendtrans-72.445.8168.733.5-38000112.8T133 N137P96-T133 HydrophobicContact CB-CG2 4.22Å; P96-N137 PolarHBondContact O-ND2 2.89Å
97G63Low78.3Confident23 Ų2342.8 Ų42.824%0.23724%0.236CC..SBendtrans-97.9-176.5-174.700000114.8I95 N137I95-G97 PolarHBondContact O-N 3.39Å; G97-N137 PolarHBondContact O-ND2 2.87Å
98V73.9Confident78.1Confident60 Ų6043 Ų4336%0.36424%0.237SC..  trans-67139170.4-169.30000108.8N137 G138 V140 R174V98-N137 HydrophobicContact CB-CB 4.46Å; V98-N137 HydrophobicContact CG2-CB 4.19Å; V98-G138 WeakPolarHBondContact CG1-O 3.24Å; V98-V140 HydrophobicContact CG1-CG2 4.06Å; V98-R174 HydrophobicContact CG1-CB 4.44Å; V98-R174 HydrophobicContact CG1-CG 3.97Å
99R84.9Confident77.6Confident7 Ų752.7 Ų52.73%0.02627%0.273CS..EExtended strand (participates in β ladder)trans-73.2150.9173.4-76.5-69.7168.8-82.118.6110.4D92 A134 G138 L139 V140D92-R99 PolarHBondContact O-NH2 2.83Å; D92-R99 IonicContact OD1-CZ 2.71Å; D92-R99 VanDerWaalsContact OD1-CZ 3.25Å; D92-R99 IonicContact OD1-NE 2.74Å; D92-R99 PolarHBondContact OD1-NE 3.23Å; D92-R99 IonicContact OD1-NH2 2.68Å; D92-R99 PolarHBondContact OD1-NH2 2.76Å; R99-A134 HydrophobicContact CG-CB 3.53Å; R99-G138 PolarHBondContact N-O 2.85Å; R99-L139 HydrophobicContact CB-CD1 4.07Å; R99-L139 CarbonylContact O-C 3.48Å; R99-L139 WeakPolarHBondContact O-CA 3.48Å; R99-V140 PolarHBondContact O-N 2.8Å
100V88.2Confident76.8Confident34 Ų3458 Ų5821%0.20630%0.296CS..EExtended strand (participates in β ladder)trans-124.2128.8174.9-172.20000108.4L90 V140 I142L90-V100 HydrophobicContact CB-CB 4.3Å; L90-V100 HydrophobicContact CD1-CB 4.5Å; L90-V100 HydrophobicContact CD1-CG1 4.02Å; L90-V100 PolarHBondContact N-O 3.12Å; V100-V140 WeakPolarHBondContact CA-O 3.24Å; V100-V140 HydrophobicContact CG2-CB 4.4Å; V100-I142 HydrophobicContact CG1-CD1 3.59Å; V100-I142 HydrophobicContact CG1-CG1 3.91Å
101A91.7Very high75.9Confident0 Ų059.8 Ų59.80%031%0.311CS..EExtended strand (participates in β ladder)trans-117.5140.7170.700000109.3F87 V88 I89 L139 V140 F141 I142F87-A101 HydrophobicContact CE1-CB 4.25Å; F87-A101 HydrophobicContact CE2-CB 3.99Å; F87-A101 HydrophobicContact CZ-CB 3.6Å; V88-A101 CarbonylContact O-C 3.57Å; V88-A101 WeakPolarHBondContact O-CA 3.16Å; I89-A101 HydrophobicContact CD1-CB 3.59Å; A101-L139 HydrophobicContact CB-CD1 3.86Å; A101-V140 PolarHBondContact N-O 3.39Å; A101-F141 HydrophobicContact CB-CD2 4.25Å; A101-F141 CarbonylContact O-C 3.57Å; A101-F141 WeakPolarHBondContact O-CA 3.47Å; A101-I142 PolarHBondContact O-N 3.45Å
102Q92.9Very high75.6Confident2 Ų257.1 Ų57.11%0.00932%0.315CS..EExtended strand (participates in β ladder)trans-123.6133.2178.7-175.5164.2-2.700110.5F87 V88 L90 F104 I142 D144 L218F87-Q102 WeakPolarHBondContact CA-O 3.37Å; V88-Q102 PolarHBondContact N-O 3.3Å; V88-Q102 PolarHBondContact O-N 2.99Å; L90-Q102 HydrophobicContact CD1-CB 4.33Å; Q102-F104 VanDerWaalsContact CD-CZ 3.47Å; Q102-F104 HydrophobicContact CG-CD2 4.44Å; Q102-F104 HydrophobicContact CG-CE1 4.12Å; Q102-F104 HydrophobicContact CG-CE2 4Å; Q102-F104 HydrophobicContact CG-CZ 3.84Å; Q102-I142 CarbonylContact C-O 3.59Å; Q102-I142 WeakPolarHBondContact CA-O 3.3Å; Q102-I142 HydrophobicContact CB-CB 4.05Å; Q102-I142 HydrophobicContact CG-CB 3.97Å; Q102-I142 HydrophobicContact CG-CG2 3.91Å; Q102-D144 HydrophobicContact CG-CB 4.16Å; Q102-D144 PolarHBondContact NE2-OD2 3.09Å; Q102-L218 PolarHBondContact NE2-O 2.79Å
103F93.8Very high75.9Confident3 Ų361.9 Ų61.91%0.01334%0.341CS..EExtended strand (participates in β ladder)trans-114.2116.7173.5-178.6-102.4000109.9K86 F87 V105 H108 L117 F141 I142 F143 D144 F157K86-F103 HydrophobicContact CB-CE2 4.16Å; K86-F103 CarbonylContact O-C 3.52Å; K86-F103 VanDerWaalsContact O-CA 3.26Å; K86-F103 WeakPolarHBondContact O-CA 3.32Å; K86-F103 VanDerWaalsContact O-CD2 3.25Å; K86-F103 WeakPolarHBondContact O-CD2 3.43Å; F87-F103 HydrophobicContact CB-CD2 4.19Å; F87-F103 HydrophobicContact CD2-CB 4.25Å; F87-F103 HydrophobicContact CD2-CD2 4.31Å; F103-V105 HydrophobicContact CD1-CG2 3.82Å; F103-V105 HydrophobicContact CE1-CG2 3.9Å; F103-V105 PolarHBondContact O-N 2.9Å; F103-H108 HydrophobicContact CE1-CB 4.47Å; F103-H108 HydrophobicContact CZ-CB 4.02Å; F103-H108 AromaticContact CZ-ND1 3.97Å; F103-L117 HydrophobicContact CE2-CD1 4.24Å; F103-L117 HydrophobicContact CE2-CD2 4.09Å; F103-L117 HydrophobicContact CZ-CD2 4.26Å; F103-F141 HydrophobicContact CB-CE2 3.73Å; F103-F141 HydrophobicContact CB-CZ 3.65Å; F103-F141 HydrophobicContact CG-CZ 4.5Å; F103-I142 PolarHBondContact N-O 2.84Å; F103-F143 HydrophobicContact CB-CD2 4.44Å; F103-F143 AromaticContact CD1-CD2 3.8Å; F103-F143 HydrophobicContact CD1-CD2 3.8Å; F103-F143 AromaticContact CD1-CE2 3.56Å; F103-F143 HydrophobicContact CD1-CE2 3.56Å; F103-F143 HydrophobicContact CD1-CZ 4.44Å; F103-F143 AromaticContact CE1-CE2 3.96Å; F103-F143 HydrophobicContact CE1-CE2 3.96Å; F103-D144 WeakPolarHBondContact O-CB 3.14Å; F103-D144 PolarHBondContact O-N 3.44Å; F103-F157 HydrophobicContact CE1-CE1 4.13Å; F103-F157 HydrophobicContact CE2-CE1 4.04Å; F103-F157 HydrophobicContact CE2-CZ 4.3Å; F103-F157 AromaticContact CZ-CE1 3.62Å; F103-F157 HydrophobicContact CZ-CE1 3.62Å; F103-F157 HydrophobicContact CZ-CZ 4.32Å
104F92.7Very high77.3Confident1 Ų158 Ų580%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-88.996.8-178.8-65.9-80.3000110.5K86 V88 Q102 R106 L107 D144 P221 L226K86-F104 PolarHBondContact O-N 2.78Å; V88-F104 HydrophobicContact CG2-CE2 4.09Å; Q102-F104 VanDerWaalsContact CD-CZ 3.47Å; Q102-F104 HydrophobicContact CG-CD2 4.44Å; Q102-F104 HydrophobicContact CG-CE1 4.12Å; Q102-F104 HydrophobicContact CG-CE2 4Å; Q102-F104 HydrophobicContact CG-CZ 3.84Å; F104-R106 VanDerWaalsContact C-N 3.26Å; F104-R106 PolarHBondContact O-N 3.31Å; F104-L107 HydrophobicContact CB-CB 4.35Å; F104-L107 HydrophobicContact CB-CD1 3.96Å; F104-L107 HydrophobicContact CB-CG 3.98Å; F104-L107 HydrophobicContact CG-CD1 4.44Å; F104-L107 PolarHBondContact O-N 2.75Å; F104-D144 HydrophobicContact CD1-CB 4.14Å; F104-D144 WeakPolarHBondContact CD1-OD2 3.31Å; F104-D144 WeakPolarHBondContact CE1-OD2 3.26Å; F104-P221 HydrophobicContact CE1-CG 4.26Å; F104-P221 HydrophobicContact CZ-CG 4.15Å; F104-L226 HydrophobicContact CE2-CD1 4.31Å; F104-L226 HydrophobicContact CE2-CD2 3.75Å; F104-L226 HydrophobicContact CZ-CD1 4.32Å; F104-L226 HydrophobicContact CZ-CD2 3.8Å
105V90.3Very high79Confident2 Ų255 Ų551%0.01230%0.296CS..G310 helixtrans-59.2-37.6-177.4-178.30000111.1F103 L107 H108 F143 D144 M145 N152F103-V105 HydrophobicContact CD1-CG2 3.82Å; F103-V105 HydrophobicContact CE1-CG2 3.9Å; F103-V105 PolarHBondContact O-N 2.9Å; V105-L107 PolarHBondContact O-N 3.36Å; V105-L107 VanDerWaalsContact O-N 3.08Å; V105-H108 VanDerWaalsContact O-CB 3.32Å; V105-H108 WeakPolarHBondContact O-CB 3.44Å; V105-H108 PolarHBondContact O-N 2.78Å; V105-F143 HydrophobicContact CG2-CD1 4.01Å; V105-F143 HydrophobicContact CG2-CD2 4.3Å; V105-F143 HydrophobicContact CG2-CE1 3.61Å; V105-F143 HydrophobicContact CG2-CE2 3.93Å; V105-F143 HydrophobicContact CG2-CG 4.35Å; V105-F143 HydrophobicContact CG2-CZ 3.58Å; V105-D144 VanDerWaalsContact CB-O 3.32Å; V105-D144 WeakPolarHBondContact CB-O 3.3Å; V105-D144 WeakPolarHBondContact CG2-O 3.47Å; V105-D144 PolarHBondContact N-O 2.85Å; V105-M145 HydrophobicContact CG2-CG 4.09Å; V105-N152 HydrophobicContact CG1-CB 4.18Å; V105-N152 WeakPolarHBondContact O-CB 3.06Å
106R89.3Confident80.8Confident59 Ų5950.3 Ų50.322%0.22328%0.275CS..G310 helixtrans-55.8-24.6175.361.8173.9175.5-126.9-16.2115.1F104 T146 D147 N152 S219F104-R106 VanDerWaalsContact C-N 3.26Å; F104-R106 PolarHBondContact O-N 3.31Å; R106-T146 WeakPolarHBondContact CB-O 3.22Å; R106-T146 WeakPolarHBondContact CD-O 3.47Å; R106-D147 IonicContact CZ-OD2 2.69Å; R106-D147 IonicContact NH1-OD2 2.65Å; R106-D147 PolarHBondContact NH1-OD2 2.79Å; R106-N152 PolarHBondContact O-ND2 2.86Å; R106-S219 VanDerWaalsContact CZ-O 3.28Å; R106-S219 PolarHBondContact NH1-O 2.91Å; R106-S219 PolarHBondContact NH2-O 2.7Å
107L88.6Confident82.6Confident40 Ų4045.7 Ų45.721%0.20924%0.244CC..G310 helixtrans-89-11.1176.4-59.6-176.3000112.9K86 F104 V105K86-L107 VanDerWaalsContact CE-O 3.3Å; K86-L107 WeakPolarHBondContact CE-O 3.27Å; K86-L107 HydrophobicContact CG-CB 3.79Å; F104-L107 HydrophobicContact CB-CB 4.35Å; F104-L107 HydrophobicContact CB-CD1 3.96Å; F104-L107 HydrophobicContact CB-CG 3.98Å; F104-L107 HydrophobicContact CG-CD1 4.44Å; F104-L107 PolarHBondContact O-N 2.75Å; V105-L107 PolarHBondContact O-N 3.36Å; V105-L107 VanDerWaalsContact O-N 3.08Å
108H89.6Confident83.9Confident5 Ų544.7 Ų44.72%0.02323%0.234CC..  trans-76.5135.4176.9-170.275000110.8F103 V105 L117 N152 D154F103-H108 HydrophobicContact CE1-CB 4.47Å; F103-H108 HydrophobicContact CZ-CB 4.02Å; F103-H108 AromaticContact CZ-ND1 3.97Å; V105-H108 VanDerWaalsContact O-CB 3.32Å; V105-H108 WeakPolarHBondContact O-CB 3.44Å; V105-H108 PolarHBondContact O-N 2.78Å; H108-L117 WeakPolarHBondContact ND1-CD2 3.5Å; H108-N152 PolarHBondContact CD2-O 2.98Å; H108-N152 VanDerWaalsContact CD2-O 3.3Å; H108-N152 PolarHBondContact O-ND2 2.89Å; H108-D154 WeakPolarHBondContact NE2-CB 3.4Å
109R81.8Confident84.7Confident207 Ų20741.9 Ų41.978%0.78122%0.217SC*.  trans-114.8131.9169.4-64.7-177.4-178.9-178.9-0.4106.9S111R109-S111 VanDerWaalsContact C-N 3.32Å; R109-S111 PolarHBondContact O-N 3.47Å
110K73.3Confident85Confident120 Ų12041.6 Ų41.652%0.52222%0.216SC..  trans-72.181.3-177.9-172-178.3177.3179.50111.6D154K110-D154 HydrophobicContact CG-CB 4.29Å
111S65.3Low85.2Confident61 Ų6140 Ų4043%0.42721%0.206SC..  trans-96.1131.2173.5540000110.7R109 N113R109-S111 VanDerWaalsContact C-N 3.32Å; R109-S111 PolarHBondContact O-N 3.47Å; S111-N113 PolarHBondContact O-N 2.69Å
112G59.5Low85.2Confident81 Ų8140.1 Ų40.184%0.83521%0.206SC*.SBendtrans-59.7-13.4-171.900000116.8
113N68.4Low85.3Confident111 Ų11140.3 Ų40.359%0.59421%0.207SC*.  trans-111.8101.4172.3-1753.6000111S111 R115S111-N113 PolarHBondContact O-N 2.69Å; N113-R115 WeakPolarHBondContact OD1-CB 3.42Å; N113-R115 PolarHBondContact OD1-N 2.88Å
114H81.7Confident85.3Confident42 Ų4240.2 Ų40.219%0.19421%0.207CC..  trans-88.43.3178.156.7-89.8000113.6A116 L117 L118 F157 K160H114-A116 PolarHBondContact O-N 3.18Å; H114-L117 PolarHBondContact O-N 3.5Å; H114-L118 PolarHBondContact O-N 2.94Å; H114-F157 HydrophobicContact CB-CB 4.1Å; H114-F157 HydrophobicContact CB-CD2 3.88Å; H114-F157 HydrophobicContact CB-CG 4.32Å; H114-K160 WeakPolarHBondContact NE2-CE 3.44Å
115R86.5Confident85.2Confident82 Ų8240.3 Ų40.331%0.30921%0.207SC..Hα-helixtrans-55.1-49.7-176180-179.8175.979.1-2.2112.3E66 Q67 N113 L117 L118 H119E66-R115 PolarHBondContact O-NH1 3.1Å; Q67-R115 PolarHBondContact O-NH1 2.89Å; Q67-R115 VanDerWaalsContact O-NH1 3.09Å; Q67-R115 PolarHBondContact O-NH2 3.37Å; N113-R115 WeakPolarHBondContact OD1-CB 3.42Å; N113-R115 PolarHBondContact OD1-N 2.88Å; R115-L117 VanDerWaalsContact C-N 3.32Å; R115-L117 PolarHBondContact O-N 3.44Å; R115-L118 PolarHBondContact O-N 2.85Å; R115-H119 WeakPolarHBondContact O-CB 3.3Å; R115-H119 PolarHBondContact O-CD2 3.42Å; R115-H119 VanDerWaalsContact O-CD2 3.3Å; R115-H119 PolarHBondContact O-N 3.05Å
116A88.7Confident85.2Confident15 Ų1542.5 Ų42.512%0.12422%0.219CC..Hα-helixtrans-63.5-36-177.400000113.2D77 V78 E81 H114 S120D77-A116 HydrophobicContact CB-CB 3.66Å; V78-A116 HydrophobicContact CG2-CB 4.37Å; E81-A116 HydrophobicContact CG-CB 4.01Å; H114-A116 PolarHBondContact O-N 3.18Å; A116-S120 WeakPolarHBondContact O-CB 3.5Å; A116-S120 PolarHBondContact O-N 3Å
117L90.4Very high85.3Confident4 Ų439.7 Ų39.72%0.02121%0.208CC..Hα-helixtrans-71.4-39.9174.7177.956.1000111.5E81 F103 H108 H114 R115 H119 S120 I121 F157E81-L117 HydrophobicContact CG-CB 4.25Å; E81-L117 WeakPolarHBondContact OE2-CD1 3.38Å; F103-L117 HydrophobicContact CE2-CD1 4.24Å; F103-L117 HydrophobicContact CE2-CD2 4.09Å; F103-L117 HydrophobicContact CZ-CD2 4.26Å; H108-L117 WeakPolarHBondContact ND1-CD2 3.5Å; H114-L117 PolarHBondContact O-N 3.5Å; R115-L117 VanDerWaalsContact C-N 3.32Å; R115-L117 PolarHBondContact O-N 3.44Å; L117-H119 VanDerWaalsContact C-N 3.35Å; L117-S120 PolarHBondContact O-N 3.02Å; L117-S120 PolarHBondContact O-OG 3.38Å; L117-I121 HydrophobicContact CD1-CD1 3.98Å; L117-I121 HydrophobicContact CD1-CG1 4.25Å; L117-I121 HydrophobicContact CG-CD1 4.13Å; L117-I121 VanDerWaalsContact O-CG1 3.24Å; L117-I121 WeakPolarHBondContact O-CG1 3.26Å; L117-I121 PolarHBondContact O-N 2.88Å; L117-I121 VanDerWaalsContact O-N 3.07Å; L117-F157 HydrophobicContact CB-CE2 4.43Å; L117-F157 HydrophobicContact CD2-CD1 4.27Å; L117-F157 HydrophobicContact CD2-CD2 4.33Å; L117-F157 HydrophobicContact CD2-CE1 3.72Å; L117-F157 HydrophobicContact CD2-CE2 3.78Å; L117-F157 HydrophobicContact CD2-CZ 3.44Å; L117-F157 VanDerWaalsContact CD2-CZ 3.44Å; L117-F157 HydrophobicContact CG-CE1 4.44Å; L117-F157 HydrophobicContact CG-CE2 3.78Å; L117-F157 HydrophobicContact CG-CZ 3.67Å
118L89.8Confident85.3Confident2 Ų238 Ų381%0.0120%0.2CC..Hα-helixtrans-64.3-41.7174.8-170.562.2000111.3F62 E66 I68 H114 R115 I121 I122 M164F62-L118 HydrophobicContact CZ-CD1 4.46Å; F62-L118 HydrophobicContact CZ-CD2 4.19Å; E66-L118 HydrophobicContact CB-CD2 4.35Å; E66-L118 HydrophobicContact CG-CD2 3.94Å; I68-L118 HydrophobicContact CD1-CD2 4.46Å; H114-L118 PolarHBondContact O-N 2.94Å; R115-L118 PolarHBondContact O-N 2.85Å; L118-I121 PolarHBondContact O-N 2.99Å; L118-I122 HydrophobicContact CD1-CD1 4.49Å; L118-I122 HydrophobicContact CG-CD1 4.08Å; L118-I122 VanDerWaalsContact O-CG1 3.31Å; L118-I122 WeakPolarHBondContact O-CG1 3.23Å; L118-I122 PolarHBondContact O-N 3.32Å; L118-M164 HydrophobicContact CD1-CE 4.45Å; L118-M164 HydrophobicContact CD1-SD 3.71Å
119H91.1Very high85.3Confident2 Ų238.1 Ų38.11%0.00920%0.201CC..Hα-helixtrans-58.2-50.5171.6-79.5-158.7000111.9V71 E75 V78 R115 L117 I121 I122 F123V71-H119 HydrophobicContact CG1-CB 3.86Å; V71-H119 HydrophobicContact CG2-CB 4.22Å; E75-H119 IonicContact OE2-ND1 3.58Å; V78-H119 HydrophobicContact CG1-CB 4.15Å; V78-H119 HydrophobicContact CG2-CB 3.75Å; R115-H119 WeakPolarHBondContact O-CB 3.3Å; R115-H119 PolarHBondContact O-CD2 3.42Å; R115-H119 VanDerWaalsContact O-CD2 3.3Å; R115-H119 PolarHBondContact O-N 3.05Å; L117-H119 VanDerWaalsContact C-N 3.35Å; H119-I121 VanDerWaalsContact C-N 3.28Å; H119-I121 PolarHBondContact O-N 3.29Å; H119-I122 PolarHBondContact O-N 3.37Å; H119-F123 WeakPolarHBondContact O-CB 3.43Å; H119-F123 PolarHBondContact O-N 3.16Å
120S91.8Very high85.5Confident0 Ų031.1 Ų31.10%018%0.175CC..Hα-helixtrans-63.1-33.4-178.275.40000112.8L82 A116 L117 Q124L82-S120 WeakPolarHBondContact CD2-O 3.25Å; A116-S120 WeakPolarHBondContact O-CB 3.5Å; A116-S120 PolarHBondContact O-N 3Å; L117-S120 PolarHBondContact O-N 3.02Å; L117-S120 PolarHBondContact O-OG 3.38Å; S120-Q124 WeakPolarHBondContact O-CG 3.39Å; S120-Q124 PolarHBondContact O-N 3.27Å
121I93.1Very high86Confident0 Ų029 Ų290%016%0.163CC..Hα-helixtrans-69.2-48.2173.3-69.1171.5000111.1F87 L117 L118 H119 F123 Q124 L125 F157 L161 M164F87-I121 HydrophobicContact CB-CD1 4.49Å; F87-I121 HydrophobicContact CB-CG1 3.92Å; F87-I121 HydrophobicContact CD1-CG1 4.12Å; F87-I121 HydrophobicContact CD2-CD1 4.02Å; F87-I121 HydrophobicContact CD2-CG1 3.74Å; F87-I121 HydrophobicContact CD2-CG2 4.28Å; F87-I121 HydrophobicContact CE1-CG2 4.24Å; F87-I121 HydrophobicContact CE2-CG1 4.2Å; F87-I121 HydrophobicContact CE2-CG2 3.86Å; F87-I121 HydrophobicContact CG-CD1 4.37Å; F87-I121 HydrophobicContact CG-CG1 3.68Å; F87-I121 HydrophobicContact CZ-CG2 3.83Å; L117-I121 HydrophobicContact CD1-CD1 3.98Å; L117-I121 HydrophobicContact CD1-CG1 4.25Å; L117-I121 HydrophobicContact CG-CD1 4.13Å; L117-I121 VanDerWaalsContact O-CG1 3.24Å; L117-I121 WeakPolarHBondContact O-CG1 3.26Å; L117-I121 PolarHBondContact O-N 2.88Å; L117-I121 VanDerWaalsContact O-N 3.07Å; L118-I121 PolarHBondContact O-N 2.99Å; H119-I121 VanDerWaalsContact C-N 3.28Å; H119-I121 PolarHBondContact O-N 3.29Å; I121-F123 PolarHBondContact O-N 2.69Å; I121-Q124 PolarHBondContact O-N 2.99Å; I121-L125 HydrophobicContact CG2-CD1 3.81Å; I121-L125 HydrophobicContact CG2-CG 4.38Å; I121-L125 WeakPolarHBondContact O-CG 3.48Å; I121-L125 PolarHBondContact O-N 3.24Å; I121-F157 HydrophobicContact CD1-CE2 4.21Å; I121-F157 HydrophobicContact CD1-CZ 3.7Å; I121-L161 HydrophobicContact CD1-CD1 4.05Å; I121-L161 HydrophobicContact CG2-CD1 4.16Å; I121-M164 HydrophobicContact CG2-CE 3.9Å
122I91.7Very high86.8Confident3 Ų327.8 Ų27.82%0.01515%0.151CC..Hα-helixtrans-59.6-45.6178.7-73.5165.4000110.9F62 I68 V71 L118 H119 Q124 L125 D126 M164 Y169F62-I122 HydrophobicContact CE1-CD1 4.05Å; F62-I122 HydrophobicContact CZ-CD1 4.33Å; I68-I122 HydrophobicContact CD1-CD1 3.5Å; I68-I122 VanDerWaalsContact CD1-CD1 3.5Å; V71-I122 HydrophobicContact CG2-CG2 4.15Å; L118-I122 HydrophobicContact CD1-CD1 4.49Å; L118-I122 HydrophobicContact CG-CD1 4.08Å; L118-I122 VanDerWaalsContact O-CG1 3.31Å; L118-I122 WeakPolarHBondContact O-CG1 3.23Å; L118-I122 PolarHBondContact O-N 3.32Å; H119-I122 PolarHBondContact O-N 3.37Å; I122-Q124 PolarHBondContact O-N 3.19Å; I122-L125 PolarHBondContact O-N 3.25Å; I122-D126 WeakPolarHBondContact O-CB 3.2Å; I122-D126 PolarHBondContact O-N 3.32Å; I122-M164 HydrophobicContact CD1-SD 3.96Å; I122-M164 HydrophobicContact CG1-CE 4.38Å; I122-M164 HydrophobicContact CG1-SD 3.75Å; I122-Y169 HydrophobicContact CG1-CE2 4.34Å; I122-Y169 HydrophobicContact CG2-CE2 4.25Å
123F93.2Very high87.8Confident6 Ų625.9 Ų25.93%0.02612%0.123CC..Hα-helixtrans-56.5-47176.9176-97.9000112.7V71 P73 L82 H119 I121 A127 A237 L238 T241 W243V71-F123 HydrophobicContact CG1-CB 3.98Å; P73-F123 HydrophobicContact CB-CD1 4.39Å; P73-F123 HydrophobicContact CB-CD2 4.14Å; P73-F123 HydrophobicContact CB-CE1 4.12Å; P73-F123 HydrophobicContact CB-CE2 3.85Å; P73-F123 HydrophobicContact CB-CG 4.4Å; P73-F123 HydrophobicContact CB-CZ 3.85Å; P73-F123 HydrophobicContact CG-CD2 4.31Å; P73-F123 HydrophobicContact CG-CE2 3.72Å; P73-F123 HydrophobicContact CG-CZ 3.95Å; L82-F123 HydrophobicContact CD1-CD1 4.06Å; L82-F123 HydrophobicContact CD1-CE1 4.36Å; L82-F123 HydrophobicContact CD2-CD1 3.84Å; H119-F123 WeakPolarHBondContact O-CB 3.43Å; H119-F123 PolarHBondContact O-N 3.16Å; I121-F123 PolarHBondContact O-N 2.69Å; F123-A127 WeakPolarHBondContact O-CB 3.3Å; F123-A127 PolarHBondContact O-N 3.4Å; F123-A127 VanDerWaalsContact O-N 3.08Å; F123-A237 HydrophobicContact CE1-CB 3.95Å; F123-A237 HydrophobicContact CZ-CB 4.42Å; F123-L238 HydrophobicContact CE1-CD2 4.45Å; F123-L238 HydrophobicContact CZ-CD2 3.84Å; F123-L238 HydrophobicContact CZ-CG 4.2Å; F123-T241 HydrophobicContact CE2-CG2 3.96Å; F123-T241 WeakPolarHBondContact CE2-OG1 3.48Å; F123-T241 HydrophobicContact CZ-CG2 4.34Å; F123-T241 WeakPolarHBondContact CZ-OG1 3.34Å; F123-W243 AromaticContact CE2-CD1 3.75Å
124Q93.6Very high88.5Confident1 Ų120.6 Ų20.61%0.00510%0.095CC..Hα-helixtrans-68.6-35.5178.5-71.6-169.770.200112.6L82 F87 I89 S120 I121 I122 A128 W233 L234L82-Q124 HydrophobicContact CD2-CG 3.79Å; F87-Q124 HydrophobicContact CD1-CB 4.31Å; F87-Q124 HydrophobicContact CE1-CB 4.07Å; F87-Q124 PolarHBondContact O-NE2 3.08Å; F87-Q124 PolarHBondContact O-OE1 2.95Å; I89-Q124 HydrophobicContact CG1-CB 4.22Å; S120-Q124 WeakPolarHBondContact O-CG 3.39Å; S120-Q124 PolarHBondContact O-N 3.27Å; I121-Q124 PolarHBondContact O-N 2.99Å; I122-Q124 PolarHBondContact O-N 3.19Å; Q124-A128 WeakPolarHBondContact O-CB 3.45Å; Q124-A128 PolarHBondContact O-N 2.93Å; Q124-W233 VanDerWaalsContact OE1-CD1 3.3Å; Q124-L234 HydrophobicContact CG-CD2 4.17Å
125L92.3Very high88.7Confident3 Ų318.7 Ų18.72%0.0169%0.087CC..Hα-helixtrans-69.8-41.5176.1-71174.5000112F87 I89 I121 I122 A127 A128 L129 L139 M164 L165 Y169F87-L125 HydrophobicContact CE1-CG 4.46Å; F87-L125 HydrophobicContact CZ-CD1 4.5Å; F87-L125 HydrophobicContact CZ-CD2 4.07Å; F87-L125 HydrophobicContact CZ-CG 4.13Å; I89-L125 HydrophobicContact CD1-CD2 4.37Å; I121-L125 HydrophobicContact CG2-CD1 3.81Å; I121-L125 HydrophobicContact CG2-CG 4.38Å; I121-L125 WeakPolarHBondContact O-CG 3.48Å; I121-L125 PolarHBondContact O-N 3.24Å; I122-L125 PolarHBondContact O-N 3.25Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 2.84Å; L125-A128 PolarHBondContact O-N 2.69Å; L125-A128 VanDerWaalsContact O-N 3.15Å; L125-L129 WeakPolarHBondContact O-CB 3.43Å; L125-L129 WeakPolarHBondContact O-CG 3.47Å; L125-L129 PolarHBondContact O-N 3.36Å; L125-L139 HydrophobicContact CD2-CD1 4.47Å; L125-L139 HydrophobicContact CD2-CD2 3.79Å; L125-M164 HydrophobicContact CD1-CE 3.97Å; L125-L165 HydrophobicContact CD1-CD2 3.9Å; L125-Y169 VanDerWaalsContact C-OH 3.32Å; L125-Y169 HydrophobicContact CB-CE1 3.66Å; L125-Y169 VanDerWaalsContact CB-OH 3.22Å; L125-Y169 WeakPolarHBondContact CB-OH 3.45Å; L125-Y169 HydrophobicContact CD1-CD1 4.24Å; L125-Y169 HydrophobicContact CD1-CE1 3.87Å; L125-Y169 HydrophobicContact CG-CE1 4.35Å
126D90.6Very high88.7Confident48 Ų4817.9 Ų17.926%0.2578%0.084SC..Hα-helixtrans-60.2-43.7174.8-76.9-12.5000110.7I122 A128 L129 R130 Y169I122-D126 WeakPolarHBondContact O-CB 3.2Å; I122-D126 PolarHBondContact O-N 3.32Å; D126-A128 VanDerWaalsContact C-N 3.33Å; D126-A128 PolarHBondContact O-N 3.35Å; D126-L129 PolarHBondContact O-N 3.16Å; D126-R130 WeakPolarHBondContact O-CG 3.43Å; D126-R130 PolarHBondContact O-N 2.69Å; D126-Y169 PolarHBondContact N-OH 3.32Å; D126-Y169 VanDerWaalsContact N-OH 3.09Å; D126-Y169 PolarHBondContact OD1-OH 3.12Å
127A90.6Very high88.5Confident0 Ų019.2 Ų19.20%09%0.089CC..Hα-helixtrans-63.5-34.3175.500000113.6F123 L125 W233 A237 T241F123-A127 WeakPolarHBondContact O-CB 3.3Å; F123-A127 PolarHBondContact O-N 3.4Å; F123-A127 VanDerWaalsContact O-N 3.08Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 2.84Å; A127-W233 HydrophobicContact CB-CH2 4.16Å; A127-W233 HydrophobicContact CB-CZ2 4.02Å; A127-A237 HydrophobicContact CB-CB 3.5Å; A127-T241 HydrophobicContact CB-CG2 3.89Å
128A89.4Confident88.4Confident4 Ų419 Ų193%0.0339%0.088CC..Hα-helixtrans-73.8-40.317600000112.2Q124 L125 D126 R130 R131 A134 W233Q124-A128 WeakPolarHBondContact O-CB 3.45Å; Q124-A128 PolarHBondContact O-N 2.93Å; L125-A128 PolarHBondContact O-N 2.69Å; L125-A128 VanDerWaalsContact O-N 3.15Å; D126-A128 VanDerWaalsContact C-N 3.33Å; D126-A128 PolarHBondContact O-N 3.35Å; A128-R130 VanDerWaalsContact C-N 3.3Å; A128-R130 PolarHBondContact O-N 2.86Å; A128-R131 PolarHBondContact O-N 2.82Å; A128-A134 WeakPolarHBondContact O-CB 3.32Å; A128-W233 HydrophobicContact CB-CH2 4.02Å; A128-W233 HydrophobicContact CB-CZ2 4.2Å
129L88.7Confident88.3Confident8 Ų819.2 Ų19.24%0.0429%0.089CC..Hα-helixtrans-74.1-14.8-178-69.1173000114.1N40 L125 D126 R131 A135 Y169 P170 V171N40-L129 PolarHBondContact OD1-O 2.87Å; L125-L129 WeakPolarHBondContact O-CB 3.43Å; L125-L129 WeakPolarHBondContact O-CG 3.47Å; L125-L129 PolarHBondContact O-N 3.36Å; D126-L129 PolarHBondContact O-N 3.16Å; L129-R131 PolarHBondContact O-N 2.88Å; L129-A135 HydrophobicContact CD2-CB 4.31Å; L129-Y169 HydrophobicContact CD1-CE1 3.72Å; L129-P170 WeakPolarHBondContact CD1-O 3.36Å; L129-V171 HydrophobicContact CD1-CB 4.32Å; L129-V171 HydrophobicContact CD2-CG2 4.26Å
130R86.7Confident88.1Confident61 Ų6120.3 Ų20.323%0.2310%0.096CC..THydrogen-bonded Turntrans-62.8-5.1170.2-75.3174.5-175.7-127.2-7.8114.4Y8 E33 D126 A128 R240Y8-R130 PolarHBondContact OH-O 2.81Å; E33-R130 IonicContact OE1-NH2 3.5Å; D126-R130 WeakPolarHBondContact O-CG 3.43Å; D126-R130 PolarHBondContact O-N 2.69Å; A128-R130 VanDerWaalsContact C-N 3.3Å; A128-R130 PolarHBondContact O-N 2.86Å; R130-R240 WeakPolarHBondContact CD-O 3.42Å; R130-R240 PolarHBondContact NH1-O 2.89Å
131R83.1Confident88.1Confident74 Ų7420.3 Ų20.328%0.27910%0.096SC..SBendtrans-99.2125.6168.5-68-17977.6168.8-0.4111.3D92 A128 L129 T133 A134 A135D92-R131 PolarHBondContact O-NH1 3.13Å; D92-R131 IonicContact OD1-CZ 3.82Å; D92-R131 IonicContact OD1-NH1 3.52Å; D92-R131 PolarHBondContact OD1-NH1 2.83Å; D92-R131 IonicContact OD2-NH1 3.59Å; D92-R131 PolarHBondContact OD2-NH1 3.24Å; A128-R131 PolarHBondContact O-N 2.82Å; L129-R131 PolarHBondContact O-N 2.88Å; R131-T133 VanDerWaalsContact C-N 3.27Å; R131-T133 PolarHBondContact O-N 2.87Å; R131-T133 VanDerWaalsContact O-N 3.15Å; R131-A134 HydrophobicContact CB-CB 4.16Å; R131-A134 WeakPolarHBondContact O-CA 3.21Å; R131-A134 WeakPolarHBondContact O-CB 3.49Å; R131-A134 PolarHBondContact O-N 2.89Å; R131-A135 PolarHBondContact O-N 3.1Å; R131-A135 VanDerWaalsContact O-N 3.14Å
132E82.2Confident88Confident36 Ų3620.5 Ų20.517%0.16810%0.097CC..Hα-helixtrans-45.9-47.3178.8-163-151.710300113.4Y8 K9 F39 A134 A135 R136Y8-E132 VanDerWaalsContact CA-OE2 3.24Å; Y8-E132 WeakPolarHBondContact CA-OE2 3.44Å; Y8-E132 HydrophobicContact CD1-CB 3.63Å; Y8-E132 HydrophobicContact CD1-CG 3.83Å; Y8-E132 HydrophobicContact CE1-CB 3.72Å; Y8-E132 HydrophobicContact CE1-CG 4.33Å; Y8-E132 HydrophobicContact CG-CB 4.29Å; Y8-E132 HydrophobicContact CG-CG 4.01Å; K9-E132 PolarHBondContact N-OE2 3.01Å; F39-E132 HydrophobicContact CE1-CG 4.39Å; F39-E132 HydrophobicContact CE2-CG 4.46Å; F39-E132 HydrophobicContact CZ-CB 4.44Å; F39-E132 HydrophobicContact CZ-CG 3.68Å; E132-A134 PolarHBondContact O-N 3.33Å; E132-A135 PolarHBondContact O-N 3.25Å; E132-R136 WeakPolarHBondContact O-CB 3.31Å; E132-R136 PolarHBondContact O-N 2.84Å; E132-R136 IonicContact OE1-CZ 2.86Å; E132-R136 IonicContact OE1-NE 3.28Å; E132-R136 IonicContact OE1-NH1 2.88Å; E132-R136 PolarHBondContact OE1-NH1 2.95Å
133T81Confident88Confident41 Ų4120.5 Ų20.525%0.25210%0.097SC..Hα-helixtrans-67.8-33.3-179.851.80000112.7P96 R131 N137P96-T133 HydrophobicContact CB-CG2 4.22Å; R131-T133 VanDerWaalsContact C-N 3.27Å; R131-T133 PolarHBondContact O-N 2.87Å; R131-T133 VanDerWaalsContact O-N 3.15Å; T133-N137 WeakPolarHBondContact O-CB 3.33Å; T133-N137 PolarHBondContact O-N 2.84Å; T133-N137 PolarHBondContact O-ND2 3.49Å; T133-N137 VanDerWaalsContact O-ND2 3.17Å
134A82.1Confident87.9Confident1 Ų120.3 Ų20.31%0.00810%0.096CC..Hα-helixtrans-68.8-47.3176.200000111.2R99 A128 R131 E132 G138R99-A134 HydrophobicContact CG-CB 3.53Å; A128-A134 WeakPolarHBondContact O-CB 3.32Å; R131-A134 HydrophobicContact CB-CB 4.16Å; R131-A134 WeakPolarHBondContact O-CA 3.21Å; R131-A134 WeakPolarHBondContact O-CB 3.49Å; R131-A134 PolarHBondContact O-N 2.89Å; E132-A134 PolarHBondContact O-N 3.33Å; A134-G138 WeakPolarHBondContact O-CA 3.39Å; A134-G138 PolarHBondContact O-N 2.86Å
135A86.4Confident87.7Confident2 Ų220.3 Ų20.32%0.01710%0.096CC..Hα-helixtrans-63.3-46.6177.400000112.3F39 A43 L129 R131 E132F39-A135 HydrophobicContact CD1-CB 4.39Å; F39-A135 HydrophobicContact CE1-CB 3.76Å; A43-A135 HydrophobicContact CB-CB 4.09Å; L129-A135 HydrophobicContact CD2-CB 4.31Å; R131-A135 PolarHBondContact O-N 3.1Å; R131-A135 VanDerWaalsContact O-N 3.14Å; E132-A135 PolarHBondContact O-N 3.25Å
136R87.1Confident87.5Confident64 Ų6420.4 Ų20.424%0.24210%0.097CC..Hα-helixtrans-66.2-42.6177.5-76.9177.7160169.5-7.1112.8K9 E14 F39 E132K9-R136 PolarHBondContact O-NH1 3.46Å; K9-R136 PolarHBondContact O-NH2 3.01Å; E14-R136 IonicContact OE1-CZ 2.81Å; E14-R136 IonicContact OE1-NE 2.69Å; E14-R136 PolarHBondContact OE1-NE 3Å; E14-R136 IonicContact OE1-NH2 2.82Å; E14-R136 PolarHBondContact OE1-NH2 3.24Å; E14-R136 IonicContact OE2-NH2 3.26Å; E14-R136 PolarHBondContact OE2-NH2 3.29Å; F39-R136 HydrophobicContact CZ-CG 4.24Å; E132-R136 WeakPolarHBondContact O-CB 3.31Å; E132-R136 PolarHBondContact O-N 2.84Å; E132-R136 IonicContact OE1-CZ 2.86Å; E132-R136 IonicContact OE1-NE 3.28Å; E132-R136 IonicContact OE1-NH1 2.88Å; E132-R136 PolarHBondContact OE1-NH1 2.95Å
137N83.9Confident87.2Confident43 Ų4323.1 Ų23.123%0.2311%0.111CC..Hα-helixtrans-79.1-36.3-177.8-69.8-28.9000112.7P96 G97 V98 T133 R174P96-N137 PolarHBondContact O-ND2 2.89Å; G97-N137 PolarHBondContact O-ND2 2.87Å; V98-N137 HydrophobicContact CB-CB 4.46Å; V98-N137 HydrophobicContact CG2-CB 4.19Å; T133-N137 WeakPolarHBondContact O-CB 3.33Å; T133-N137 PolarHBondContact O-N 2.84Å; T133-N137 PolarHBondContact O-ND2 3.49Å; T133-N137 VanDerWaalsContact O-ND2 3.17Å; N137-R174 PolarHBondContact O-NE 2.83Å; N137-R174 PolarHBondContact O-NH2 3.24Å
138G87.4Confident87Confident1 Ų123.5 Ų23.51%0.0111%0.114CC..  trans92.1-165.3-177.400000114.7V98 R99 A134 R172V98-G138 WeakPolarHBondContact CG1-O 3.24Å; R99-G138 PolarHBondContact N-O 2.85Å; A134-G138 WeakPolarHBondContact O-CA 3.39Å; A134-G138 PolarHBondContact O-N 2.86Å; G138-R172 CarbonylContact C-O 3.58Å; G138-R172 WeakPolarHBondContact CA-O 3.41Å
139L87.6Confident86.8Confident5 Ų530.4 Ų30.43%0.02614%0.143CC..EExtended strand (participates in β ladder)trans-124.6130.5-169.6-177.170.1000111.7R99 A101 L125 L165 V171 R172 R174R99-L139 HydrophobicContact CB-CD1 4.07Å; R99-L139 CarbonylContact O-C 3.48Å; R99-L139 WeakPolarHBondContact O-CA 3.48Å; A101-L139 HydrophobicContact CB-CD1 3.86Å; L125-L139 HydrophobicContact CD2-CD1 4.47Å; L125-L139 HydrophobicContact CD2-CD2 3.79Å; L139-L165 HydrophobicContact CD2-CD2 4.19Å; L139-V171 HydrophobicContact CB-CG2 3.54Å; L139-V171 HydrophobicContact CD2-CG2 4.12Å; L139-V171 HydrophobicContact CG-CG2 4.46Å; L139-R172 PolarHBondContact N-O 2.68Å; L139-R174 WeakPolarHBondContact O-CB 3.37Å; L139-R174 PolarHBondContact O-N 2.93Å
140V88Confident86.5Confident26 Ų2634.3 Ų34.316%0.15816%0.158CC..EExtended strand (participates in β ladder)trans-93.2129.2155.4174.50000107.8V98 R99 V100 A101 R174 R175 L177V98-V140 HydrophobicContact CG1-CG2 4.06Å; R99-V140 PolarHBondContact O-N 2.8Å; V100-V140 WeakPolarHBondContact CA-O 3.24Å; V100-V140 HydrophobicContact CG2-CB 4.4Å; A101-V140 PolarHBondContact N-O 3.39Å; V140-R174 HydrophobicContact CG2-CB 4.16Å; V140-R175 WeakPolarHBondContact CA-O 3.49Å; V140-R175 HydrophobicContact CG1-CB 4.3Å; V140-R175 HydrophobicContact CG2-CB 4.36Å; V140-L177 HydrophobicContact CG1-CD1 4.06Å; V140-L177 HydrophobicContact CG1-CG 4.07Å
141F90.8Very high86.3Confident0 Ų035.2 Ų35.20%017%0.173CC..EExtended strand (participates in β ladder)trans-103.5134.6174-177.7-128.7000109.7F87 A101 F103 F143 L161 F162 L165 L173 R175 V176 L177F87-F141 HydrophobicContact CD2-CE2 4.23Å; F87-F141 HydrophobicContact CE2-CD2 4.32Å; F87-F141 AromaticContact CE2-CE2 3.77Å; F87-F141 HydrophobicContact CE2-CE2 3.77Å; A101-F141 HydrophobicContact CB-CD2 4.25Å; A101-F141 CarbonylContact O-C 3.57Å; A101-F141 WeakPolarHBondContact O-CA 3.47Å; F103-F141 HydrophobicContact CB-CE2 3.73Å; F103-F141 HydrophobicContact CB-CZ 3.65Å; F103-F141 HydrophobicContact CG-CZ 4.5Å; F141-F143 HydrophobicContact CE1-CB 4.1Å; F141-F143 AromaticContact CE1-CD2 3.8Å; F141-F143 HydrophobicContact CE1-CD2 3.8Å; F141-F143 HydrophobicContact CE1-CG 4.41Å; F141-F143 AromaticContact CZ-CD2 3.9Å; F141-F143 HydrophobicContact CZ-CD2 3.9Å; F141-L161 HydrophobicContact CE1-CD2 4.23Å; F141-L161 HydrophobicContact CZ-CD2 3.87Å; F141-F162 AromaticContact CD1-CE1 3.85Å; F141-F162 HydrophobicContact CD1-CE1 3.85Å; F141-F162 HydrophobicContact CD1-CZ 4.37Å; F141-F162 AromaticContact CE1-CE1 3.74Å; F141-F162 HydrophobicContact CE1-CE1 3.74Å; F141-F162 AromaticContact CE1-CZ 3.86Å; F141-F162 HydrophobicContact CE1-CZ 3.86Å; F141-L165 HydrophobicContact CD1-CD1 3.82Å; F141-L165 HydrophobicContact CD2-CD1 4.41Å; F141-L165 HydrophobicContact CE1-CD1 4.07Å; F141-L165 HydrophobicContact CG-CD1 4.01Å; F141-L165 HydrophobicContact CZ-CD1 4.49Å; F141-L173 HydrophobicContact CB-CD1 4.11Å; F141-R175 PolarHBondContact N-O 3.35Å; F141-V176 HydrophobicContact CD1-CG1 4.34Å; F141-V176 HydrophobicContact CD1-CG2 4.46Å; F141-V176 CarbonylContact O-C 3.55Å; F141-V176 VanDerWaalsContact O-CA 3.27Å; F141-V176 WeakPolarHBondContact O-CA 3.45Å; F141-L177 PolarHBondContact O-N 2.78Å
142I91.2Very high86.6Confident4 Ų433 Ų332%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-111.6116175.1-56.3-177.1000106.9V100 A101 Q102 F103 D144 L177 L179 L218V100-I142 HydrophobicContact CG1-CD1 3.59Å; V100-I142 HydrophobicContact CG1-CG1 3.91Å; A101-I142 PolarHBondContact O-N 3.45Å; Q102-I142 CarbonylContact C-O 3.59Å; Q102-I142 WeakPolarHBondContact CA-O 3.3Å; Q102-I142 HydrophobicContact CB-CB 4.05Å; Q102-I142 HydrophobicContact CG-CB 3.97Å; Q102-I142 HydrophobicContact CG-CG2 3.91Å; F103-I142 PolarHBondContact N-O 2.84Å; I142-D144 HydrophobicContact CG2-CB 4.41Å; I142-L177 CarbonylContact C-O 3.47Å; I142-L177 WeakPolarHBondContact CA-O 3.48Å; I142-L177 HydrophobicContact CG1-CB 4.4Å; I142-L177 HydrophobicContact CG1-CD1 4.37Å; I142-L179 HydrophobicContact CG2-CD1 3.52Å; I142-L179 HydrophobicContact CG2-CD2 4.45Å; I142-L179 HydrophobicContact CG2-CG 3.67Å; I142-L218 HydrophobicContact CD1-CD1 4.1Å
143F91.5Very high86.7Confident3 Ų331.5 Ų31.51%0.01316%0.16CC..EExtended strand (participates in β ladder)trans-101.192.9174.8-165.4-105.6000107.3F103 V105 F141 M145 F153 F162 L177 I178 L179F103-F143 HydrophobicContact CB-CD2 4.44Å; F103-F143 AromaticContact CD1-CD2 3.8Å; F103-F143 HydrophobicContact CD1-CD2 3.8Å; F103-F143 AromaticContact CD1-CE2 3.56Å; F103-F143 HydrophobicContact CD1-CE2 3.56Å; F103-F143 HydrophobicContact CD1-CZ 4.44Å; F103-F143 AromaticContact CE1-CE2 3.96Å; F103-F143 HydrophobicContact CE1-CE2 3.96Å; V105-F143 HydrophobicContact CG2-CD1 4.01Å; V105-F143 HydrophobicContact CG2-CD2 4.3Å; V105-F143 HydrophobicContact CG2-CE1 3.61Å; V105-F143 HydrophobicContact CG2-CE2 3.93Å; V105-F143 HydrophobicContact CG2-CG 4.35Å; V105-F143 HydrophobicContact CG2-CZ 3.58Å; F141-F143 HydrophobicContact CE1-CB 4.1Å; F141-F143 AromaticContact CE1-CD2 3.8Å; F141-F143 HydrophobicContact CE1-CD2 3.8Å; F141-F143 HydrophobicContact CE1-CG 4.41Å; F141-F143 AromaticContact CZ-CD2 3.9Å; F141-F143 HydrophobicContact CZ-CD2 3.9Å; F143-M145 HydrophobicContact CD1-CG 3.86Å; F143-M145 HydrophobicContact CD1-SD 4.09Å; F143-M145 HydrophobicContact CE1-CG 4.07Å; F143-M145 HydrophobicContact CE1-SD 4.06Å; F143-M145 PolarHBondContact O-N 2.79Å; F143-F153 HydrophobicContact CE1-CE2 4.12Å; F143-F153 HydrophobicContact CZ-CE2 4.16Å; F143-F162 HydrophobicContact CB-CZ 4.22Å; F143-F162 HydrophobicContact CD1-CZ 4.4Å; F143-F162 HydrophobicContact CD2-CE2 4.13Å; F143-F162 AromaticContact CD2-CZ 3.8Å; F143-F162 HydrophobicContact CD2-CZ 3.8Å; F143-F162 HydrophobicContact CE2-CE2 4.05Å; F143-F162 HydrophobicContact CE2-CZ 4.2Å; F143-F162 HydrophobicContact CG-CE2 4.44Å; F143-F162 AromaticContact CG-CZ 3.9Å; F143-F162 HydrophobicContact CG-CZ 3.9Å; F143-F162 HydrophobicContact CZ-CE2 4.28Å; F143-L177 PolarHBondContact N-O 2.86Å; F143-I178 HydrophobicContact CB-CG1 4.35Å; F143-I178 HydrophobicContact CD1-CG2 4.47Å; F143-I178 VanDerWaalsContact O-CA 3.32Å; F143-I178 WeakPolarHBondContact O-CA 3.39Å; F143-L179 PolarHBondContact O-N 3.35Å; F143-L179 VanDerWaalsContact O-N 3.08Å
144D91.3Very high86.8Confident1 Ų130 Ų301%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-87.6108.5-168.1-174.50.8000110.5Q102 F103 F104 V105 I142 T146Q102-D144 HydrophobicContact CG-CB 4.16Å; Q102-D144 PolarHBondContact NE2-OD2 3.09Å; F103-D144 WeakPolarHBondContact O-CB 3.14Å; F103-D144 PolarHBondContact O-N 3.44Å; F104-D144 HydrophobicContact CD1-CB 4.14Å; F104-D144 WeakPolarHBondContact CD1-OD2 3.31Å; F104-D144 WeakPolarHBondContact CE1-OD2 3.26Å; V105-D144 VanDerWaalsContact CB-O 3.32Å; V105-D144 WeakPolarHBondContact CB-O 3.3Å; V105-D144 WeakPolarHBondContact CG2-O 3.47Å; V105-D144 PolarHBondContact N-O 2.85Å; I142-D144 HydrophobicContact CG2-CB 4.41Å; D144-T146 WeakPolarHBondContact OD1-CB 3.48Å; D144-T146 PolarHBondContact OD1-N 3.26Å; D144-T146 PolarHBondContact OD1-OG1 3.08Å
145M89.9Confident86.6Confident1 Ų132.1 Ų32.11%0.00516%0.159CC..  trans-100.710.3-179.3-56.9-169.576.500112.7V105 F143 D147 S148 F153 I178 L179 A181 P182 W184 F185V105-M145 HydrophobicContact CG2-CG 4.09Å; F143-M145 HydrophobicContact CD1-CG 3.86Å; F143-M145 HydrophobicContact CD1-SD 4.09Å; F143-M145 HydrophobicContact CE1-CG 4.07Å; F143-M145 HydrophobicContact CE1-SD 4.06Å; F143-M145 PolarHBondContact O-N 2.79Å; M145-D147 PolarHBondContact O-N 2.87Å; M145-S148 WeakPolarHBondContact CA-OG 3.48Å; M145-S148 WeakPolarHBondContact CB-OG 3.33Å; M145-S148 WeakPolarHBondContact O-CB 3.39Å; M145-S148 PolarHBondContact O-N 2.69Å; M145-S148 VanDerWaalsContact O-N 3.12Å; M145-S148 PolarHBondContact O-OG 3.1Å; M145-F153 HydrophobicContact CE-CD2 4.26Å; M145-I178 HydrophobicContact CG-CG2 3.97Å; M145-I178 HydrophobicContact SD-CG2 3.6Å; M145-I178 VanDerWaalsContact SD-CG2 3.6Å; M145-L179 WeakPolarHBondContact CA-O 3.22Å; M145-L179 WeakPolarHBondContact CB-O 3.42Å; M145-L179 PolarHBondContact N-O 3.22Å; M145-L179 VanDerWaalsContact N-O 3.07Å; M145-A181 HydrophobicContact SD-CB 4.3Å; M145-P182 HydrophobicContact CE-CG 4.25Å; M145-W184 HydrophobicContact CE-CH2 3.44Å; M145-W184 VanDerWaalsContact CE-CH2 3.44Å; M145-W184 HydrophobicContact CE-CZ2 3.86Å; M145-W184 HydrophobicContact CE-CZ3 4.24Å; M145-F185 HydrophobicContact CE-CB 4.05Å; M145-F185 HydrophobicContact CE-CD2 3.8Å; M145-F185 HydrophobicContact CE-CE2 4.46Å; M145-F185 HydrophobicContact CE-CG 3.97Å; M145-F185 HydrophobicContact SD-CB 4.48Å; M145-F185 HydrophobicContact SD-CD1 4.23Å; M145-F185 HydrophobicContact SD-CD2 4.07Å; M145-F185 HydrophobicContact SD-CE1 4.5Å; M145-F185 HydrophobicContact SD-CE2 4.34Å; M145-F185 HydrophobicContact SD-CG 4Å
146T87Confident86.3Confident6 Ų635.2 Ų35.24%0.03718%0.178CC..THydrogen-bonded Turntrans-56.5131.9175.1-460000110.2R106 D144 S148 T180 S219 H220R106-T146 WeakPolarHBondContact CB-O 3.22Å; R106-T146 WeakPolarHBondContact CD-O 3.47Å; D144-T146 WeakPolarHBondContact OD1-CB 3.48Å; D144-T146 PolarHBondContact OD1-N 3.26Å; D144-T146 PolarHBondContact OD1-OG1 3.08Å; T146-S148 PolarHBondContact O-N 2.86Å; T146-T180 WeakPolarHBondContact CA-OG1 3.29Å; T146-T180 VanDerWaalsContact CB-OG1 3.25Å; T146-T180 WeakPolarHBondContact CB-OG1 3.22Å; T146-T180 PolarHBondContact N-OG1 3.04Å; T146-T180 VanDerWaalsContact N-OG1 3.09Å; T146-T180 PolarHBondContact OG1-OG1 2.97Å; T146-S219 WeakPolarHBondContact OG1-CB 3.46Å; T146-S219 PolarHBondContact OG1-OG 2.88Å; T146-H220 WeakPolarHBondContact CG2-CE1 3.45Å
147D85.7Confident86.2Confident105 Ų10532.3 Ų32.356%0.56117%0.167SC*.THydrogen-bonded Turntrans58.712-178.1-37.1-53000115.7R106 M145 H220R106-D147 IonicContact CZ-OD2 2.69Å; R106-D147 IonicContact NH1-OD2 2.65Å; R106-D147 PolarHBondContact NH1-OD2 2.79Å; M145-D147 PolarHBondContact O-N 2.87Å; D147-H220 IonicContact OD2-CE1 2.89Å
148S86Confident86.2Confident7 Ų730.4 Ų30.45%0.04916%0.157CC..  trans-78.9125.7-176.267.50000113.4M145 T146 W184M145-S148 WeakPolarHBondContact CA-OG 3.48Å; M145-S148 WeakPolarHBondContact CB-OG 3.33Å; M145-S148 WeakPolarHBondContact O-CB 3.39Å; M145-S148 PolarHBondContact O-N 2.69Å; M145-S148 VanDerWaalsContact O-N 3.12Å; M145-S148 PolarHBondContact O-OG 3.1Å; T146-S148 PolarHBondContact O-N 2.86Å; S148-W184 PolarHBondContact O-NE1 3.14Å
149K84.8Confident85.8Confident150 Ų15031.2 Ų31.265%0.65216%0.162SC*.  trans-84.9159.9171.4-59.2-178-178.7-178.10109.6S151 N152K149-S151 PolarHBondContact O-N 2.94Å; K149-N152 WeakPolarHBondContact CB-OD1 3.42Å; K149-N152 PolarHBondContact N-OD1 2.72Å; K149-N152 VanDerWaalsContact O-CB 3.3Å; K149-N152 WeakPolarHBondContact O-CB 3.46Å; K149-N152 PolarHBondContact O-N 2.88Å
150Y82Confident85.6Confident89 Ų8933.2 Ų33.235%0.34917%0.171SC..G310 helixtrans-58.4-30.3174.9178.9-102.4000112.6N152 F153 W184 L1288Y150-N152 PolarHBondContact O-N 2.8Å; Y150-F153 WeakPolarHBondContact O-CB 3.41Å; Y150-F153 PolarHBondContact O-N 3.5Å; Y150-W184 HydrophobicContact CD2-CD2 4.2Å; Y150-W184 AromaticContact CD2-CE3 3.82Å; Y150-W184 HydrophobicContact CD2-CE3 3.82Å; Y150-W184 HydrophobicContact CD2-CH2 4.49Å; Y150-W184 AromaticContact CD2-CZ3 3.98Å; Y150-W184 HydrophobicContact CD2-CZ3 3.98Å; Y150-L1288 HydrophobicContact CE2-CD1 3.92Å; Y150-L1288 WeakPolarHBondContact OH-CD1 3.23Å
151S83.7Confident85.5Confident80 Ų8032 Ų3256%0.55916%0.163SC*.G310 helixtrans-66.9-17173.149.50000114.8K149 F153K149-S151 PolarHBondContact O-N 2.94Å; S151-F153 VanDerWaalsContact C-N 3.34Å
152N88.2Confident85.1Confident27 Ų2732.6 Ų32.614%0.14417%0.166CC..G310 helixtrans-84-8.1170.9-62.3112.5000113V105 R106 H108 K149 Y150V105-N152 HydrophobicContact CG1-CB 4.18Å; V105-N152 WeakPolarHBondContact O-CB 3.06Å; R106-N152 PolarHBondContact O-ND2 2.86Å; H108-N152 PolarHBondContact CD2-O 2.98Å; H108-N152 VanDerWaalsContact CD2-O 3.3Å; H108-N152 PolarHBondContact O-ND2 2.89Å; K149-N152 WeakPolarHBondContact CB-OD1 3.42Å; K149-N152 PolarHBondContact N-OD1 2.72Å; K149-N152 VanDerWaalsContact O-CB 3.3Å; K149-N152 WeakPolarHBondContact O-CB 3.46Å; K149-N152 PolarHBondContact O-N 2.88Å; Y150-N152 PolarHBondContact O-N 2.8Å
153F84.5Confident84.6Confident5 Ų539 Ų392%0.02219%0.193CC..  trans-99.8114.6-173.6-171.1-106.2000111.9F143 M145 Y150 S151 W184 F185 L1280 F1283F143-F153 HydrophobicContact CE1-CE2 4.12Å; F143-F153 HydrophobicContact CZ-CE2 4.16Å; M145-F153 HydrophobicContact CE-CD2 4.26Å; Y150-F153 WeakPolarHBondContact O-CB 3.41Å; Y150-F153 PolarHBondContact O-N 3.5Å; S151-F153 VanDerWaalsContact C-N 3.34Å; F153-W184 HydrophobicContact CB-CH2 3.56Å; F153-W184 HydrophobicContact CB-CZ2 4.3Å; F153-W184 HydrophobicContact CB-CZ3 4.21Å; F153-W184 HydrophobicContact CD1-CH2 4.21Å; F153-W184 HydrophobicContact CD1-CZ3 4.09Å; F153-W184 AromaticContact CD2-CH2 3.93Å; F153-W184 HydrophobicContact CD2-CH2 3.93Å; F153-W184 HydrophobicContact CD2-CZ3 4.45Å; F153-W184 AromaticContact CG-CH2 3.64Å; F153-W184 HydrophobicContact CG-CH2 3.64Å; F153-W184 AromaticContact CG-CZ3 4Å; F153-W184 HydrophobicContact CG-CZ3 4Å; F153-F185 HydrophobicContact CE2-CE2 4.45Å; F153-F185 HydrophobicContact CZ-CE2 4.34Å; F153-L1280 HydrophobicContact CE1-CD2 4.49Å; F153-L1280 HydrophobicContact CZ-CD2 3.78Å; F153-F1283 HydrophobicContact CE1-CB 3.98Å; F153-F1283 HydrophobicContact CE1-CG 4.26Å
154D84.2Confident84.4Confident9 Ų938.8 Ų38.85%0.04819%0.193CC..  trans-101.8108.1170-168.8-48.9000110.2H108 K110 T156 F157 S158H108-D154 WeakPolarHBondContact NE2-CB 3.4Å; K110-D154 HydrophobicContact CG-CB 4.29Å; D154-T156 WeakPolarHBondContact OD1-CA 3.35Å; D154-T156 WeakPolarHBondContact OD1-CB 3.46Å; D154-T156 PolarHBondContact OD1-N 2.83Å; D154-F157 HydrophobicContact CB-CB 3.98Å; D154-F157 PolarHBondContact OD1-N 2.87Å; D154-S158 VanDerWaalsContact O-CB 3.24Å; D154-S158 WeakPolarHBondContact O-CB 3.42Å; D154-S158 PolarHBondContact O-N 3.27Å; D154-S158 PolarHBondContact O-OG 3.31Å
155Y78.1Confident84.1Confident46 Ų4638.8 Ų38.818%0.1819%0.193CC..Hα-helixtrans-57.3-46.5174.8158.1-109.7000112.6S158 C159 L1280Y155-S158 PolarHBondContact O-N 3.18Å; Y155-C159 WeakPolarHBondContact CE2-SG 3.48Å; Y155-C159 WeakPolarHBondContact O-CB 3.43Å; Y155-C159 PolarHBondContact O-N 3.05Å; Y155-L1280 HydrophobicContact CD2-CB 3.83Å; Y155-L1280 WeakPolarHBondContact CD2-O 3.31Å; Y155-L1280 HydrophobicContact CE2-CB 3.68Å; Y155-L1280 WeakPolarHBondContact CE2-O 3.48Å
156T78.7Confident83.5Confident68 Ų6843.2 Ų43.242%0.41721%0.209SC..Hα-helixtrans-67.7-46.6-173.9-57.40000111D154 K160D154-T156 WeakPolarHBondContact OD1-CA 3.35Å; D154-T156 WeakPolarHBondContact OD1-CB 3.46Å; D154-T156 PolarHBondContact OD1-N 2.83Å; T156-K160 PolarHBondContact O-N 3.36Å; T156-K160 VanDerWaalsContact O-N 3.14Å
157F86Confident83.1Confident2 Ų244.8 Ų44.81%0.00922%0.22CC..Hα-helixtrans-63-43.6173.1168.7-107.8000111.5F103 H114 L117 I121 D154 C159 K160 L161F103-F157 HydrophobicContact CE1-CE1 4.13Å; F103-F157 HydrophobicContact CE2-CE1 4.04Å; F103-F157 HydrophobicContact CE2-CZ 4.3Å; F103-F157 AromaticContact CZ-CE1 3.62Å; F103-F157 HydrophobicContact CZ-CE1 3.62Å; F103-F157 HydrophobicContact CZ-CZ 4.32Å; H114-F157 HydrophobicContact CB-CB 4.1Å; H114-F157 HydrophobicContact CB-CD2 3.88Å; H114-F157 HydrophobicContact CB-CG 4.32Å; L117-F157 HydrophobicContact CB-CE2 4.43Å; L117-F157 HydrophobicContact CD2-CD1 4.27Å; L117-F157 HydrophobicContact CD2-CD2 4.33Å; L117-F157 HydrophobicContact CD2-CE1 3.72Å; L117-F157 HydrophobicContact CD2-CE2 3.78Å; L117-F157 HydrophobicContact CD2-CZ 3.44Å; L117-F157 VanDerWaalsContact CD2-CZ 3.44Å; L117-F157 HydrophobicContact CG-CE1 4.44Å; L117-F157 HydrophobicContact CG-CE2 3.78Å; L117-F157 HydrophobicContact CG-CZ 3.67Å; I121-F157 HydrophobicContact CD1-CE2 4.21Å; I121-F157 HydrophobicContact CD1-CZ 3.7Å; D154-F157 HydrophobicContact CB-CB 3.98Å; D154-F157 PolarHBondContact OD1-N 2.87Å; F157-C159 PolarHBondContact O-N 3.5Å; F157-K160 PolarHBondContact O-N 2.75Å; F157-L161 HydrophobicContact CE1-CD2 3.97Å; F157-L161 HydrophobicContact CE2-CB 4.47Å; F157-L161 HydrophobicContact CZ-CB 4.34Å; F157-L161 HydrophobicContact CZ-CD2 3.86Å; F157-L161 WeakPolarHBondContact O-CB 3.48Å; F157-L161 PolarHBondContact O-N 3.32Å
158S83.7Confident83.1Confident3 Ų340.2 Ų40.22%0.02120%0.196CC..Hα-helixtrans-59.8-46.3177.8-61.90000111.7D154 Y155 K160 L161 F162D154-S158 VanDerWaalsContact O-CB 3.24Å; D154-S158 WeakPolarHBondContact O-CB 3.42Å; D154-S158 PolarHBondContact O-N 3.27Å; D154-S158 PolarHBondContact O-OG 3.31Å; Y155-S158 PolarHBondContact O-N 3.18Å; S158-K160 PolarHBondContact O-N 3.05Å; S158-L161 PolarHBondContact O-N 2.86Å; S158-F162 WeakPolarHBondContact O-CD2 3.31Å; S158-F162 PolarHBondContact O-N 2.99Å
159C78.2Confident83.3Confident18 Ų1840 Ų4012%0.12219%0.194CC..Hα-helixtrans-55.8-47.5174.1-90.10000112.3Y155 F157 K163 L1280Y155-C159 WeakPolarHBondContact CE2-SG 3.48Å; Y155-C159 WeakPolarHBondContact O-CB 3.43Å; Y155-C159 PolarHBondContact O-N 3.05Å; F157-C159 PolarHBondContact O-N 3.5Å; C159-K163 WeakPolarHBondContact O-CB 3.27Å; C159-K163 PolarHBondContact O-N 3.4Å; C159-L1280 HydrophobicContact CB-CD1 4.4Å; C159-L1280 WeakPolarHBondContact SG-CD1 3.26Å
160K83.2Confident83.6Confident48 Ų4832.9 Ų32.921%0.20916%0.164CC..Hα-helixtrans-62.1-47.3176.9-75170.7176.1-99.20112.1E66 H114 T156 F157 S158 K163 M164E66-K160 IonicContact OE1-NZ 2.79Å; E66-K160 PolarHBondContact OE1-NZ 3.45Å; E66-K160 IonicContact OE2-NZ 3.47Å; E66-K160 PolarHBondContact OE2-NZ 3.48Å; H114-K160 WeakPolarHBondContact NE2-CE 3.44Å; T156-K160 PolarHBondContact O-N 3.36Å; T156-K160 VanDerWaalsContact O-N 3.14Å; F157-K160 PolarHBondContact O-N 2.75Å; S158-K160 PolarHBondContact O-N 3.05Å; K160-K163 PolarHBondContact O-N 2.89Å; K160-M164 VanDerWaalsContact O-CB 3.27Å; K160-M164 WeakPolarHBondContact O-CB 3.34Å; K160-M164 PolarHBondContact O-N 3.43Å
161L86.6Confident83.9Confident0 Ų028.9 Ų28.90%015%0.149CC..Hα-helixtrans-61.7-46.8-179.4179.260.8000112.4I121 F141 F157 S158 M164 L165I121-L161 HydrophobicContact CD1-CD1 4.05Å; I121-L161 HydrophobicContact CG2-CD1 4.16Å; F141-L161 HydrophobicContact CE1-CD2 4.23Å; F141-L161 HydrophobicContact CZ-CD2 3.87Å; F157-L161 HydrophobicContact CE1-CD2 3.97Å; F157-L161 HydrophobicContact CE2-CB 4.47Å; F157-L161 HydrophobicContact CZ-CB 4.34Å; F157-L161 HydrophobicContact CZ-CD2 3.86Å; F157-L161 WeakPolarHBondContact O-CB 3.48Å; F157-L161 PolarHBondContact O-N 3.32Å; S158-L161 PolarHBondContact O-N 2.86Å; L161-M164 HydrophobicContact CD1-CE 3.94Å; L161-M164 WeakPolarHBondContact O-CB 3.4Å; L161-M164 PolarHBondContact O-N 2.91Å; L161-L165 HydrophobicContact CD1-CD1 4Å; L161-L165 HydrophobicContact CD1-CG 4.31Å; L161-L165 HydrophobicContact CG-CD1 4.22Å; L161-L165 WeakPolarHBondContact O-CG 3.4Å; L161-L165 PolarHBondContact O-N 2.86Å
162F81.6Confident84.1Confident13 Ų1328.1 Ų28.16%0.05713%0.133CC..Hα-helixtrans-73.2-33.3179.7-74.4-67.9000112.8F141 F143 S158 R166 V176 F1276F141-F162 AromaticContact CD1-CE1 3.85Å; F141-F162 HydrophobicContact CD1-CE1 3.85Å; F141-F162 HydrophobicContact CD1-CZ 4.37Å; F141-F162 AromaticContact CE1-CE1 3.74Å; F141-F162 HydrophobicContact CE1-CE1 3.74Å; F141-F162 AromaticContact CE1-CZ 3.86Å; F141-F162 HydrophobicContact CE1-CZ 3.86Å; F143-F162 HydrophobicContact CB-CZ 4.22Å; F143-F162 HydrophobicContact CD1-CZ 4.4Å; F143-F162 HydrophobicContact CD2-CE2 4.13Å; F143-F162 AromaticContact CD2-CZ 3.8Å; F143-F162 HydrophobicContact CD2-CZ 3.8Å; F143-F162 HydrophobicContact CE2-CE2 4.05Å; F143-F162 HydrophobicContact CE2-CZ 4.2Å; F143-F162 HydrophobicContact CG-CE2 4.44Å; F143-F162 AromaticContact CG-CZ 3.9Å; F143-F162 HydrophobicContact CG-CZ 3.9Å; F143-F162 HydrophobicContact CZ-CE2 4.28Å; S158-F162 WeakPolarHBondContact O-CD2 3.31Å; S158-F162 PolarHBondContact O-N 2.99Å; F162-R166 WeakPolarHBondContact O-CB 3.44Å; F162-R166 PolarHBondContact O-N 3.25Å; F162-R166 VanDerWaalsContact O-N 3.12Å; F162-V176 HydrophobicContact CE1-CG1 3.74Å; F162-V176 HydrophobicContact CE1-CG2 4.18Å; F162-V176 HydrophobicContact CZ-CG1 4.29Å; F162-F1276 HydrophobicContact CB-CD1 4.18Å; F162-F1276 HydrophobicContact CB-CE1 3.93Å; F162-F1276 HydrophobicContact CD1-CE1 4.23Å; F162-F1276 AromaticContact CD2-CE1 3.5Å; F162-F1276 HydrophobicContact CD2-CE1 3.5Å; F162-F1276 VanDerWaalsContact CD2-CE1 3.5Å; F162-F1276 HydrophobicContact CD2-CZ 4.13Å; F162-F1276 HydrophobicContact CE2-CE1 4.01Å; F162-F1276 HydrophobicContact CE2-CZ 4.18Å; F162-F1276 HydrophobicContact CG-CD1 4.34Å; F162-F1276 AromaticContact CG-CE1 3.62Å; F162-F1276 HydrophobicContact CG-CE1 3.62Å; F162-F1276 HydrophobicContact CG-CZ 4.37Å; F162-F1276 HydrophobicContact CZ-CZ 4.47Å
163K81Confident84Confident137 Ų13728.8 Ų28.860%0.59614%0.137SC*.Hα-helixtrans-62-48.4169.8-175.9179.1-179.7-1780110.9C159 K160 L165 R166 S167C159-K163 WeakPolarHBondContact O-CB 3.27Å; C159-K163 PolarHBondContact O-N 3.4Å; K160-K163 PolarHBondContact O-N 2.89Å; K163-L165 PolarHBondContact O-N 2.98Å; K163-R166 PolarHBondContact O-N 3.03Å; K163-S167 PolarHBondContact O-N 3.39Å; K163-S167 VanDerWaalsContact O-N 3.14Å; K163-S167 PolarHBondContact O-OG 2.98Å; K163-S167 VanDerWaalsContact O-OG 3.11Å
164M87.3Confident84Confident0 Ų033.8 Ų33.80%016%0.156CC..Iπ-helixtrans-53.7-56176-178.8-174.586.200111.1F62 L118 I121 I122 L125 K160 L161 R166 S168 Y169F62-M164 HydrophobicContact CE1-CB 4.5Å; F62-M164 HydrophobicContact CE1-CG 3.75Å; F62-M164 HydrophobicContact CE1-SD 3.85Å; F62-M164 HydrophobicContact CE2-CB 3.96Å; F62-M164 HydrophobicContact CE2-CG 4.11Å; F62-M164 HydrophobicContact CZ-CB 3.86Å; F62-M164 HydrophobicContact CZ-CG 3.52Å; F62-M164 HydrophobicContact CZ-SD 3.54Å; F62-M164 VanDerWaalsContact CZ-SD 3.54Å; L118-M164 HydrophobicContact CD1-CE 4.45Å; L118-M164 HydrophobicContact CD1-SD 3.71Å; I121-M164 HydrophobicContact CG2-CE 3.9Å; I122-M164 HydrophobicContact CD1-SD 3.96Å; I122-M164 HydrophobicContact CG1-CE 4.38Å; I122-M164 HydrophobicContact CG1-SD 3.75Å; L125-M164 HydrophobicContact CD1-CE 3.97Å; K160-M164 VanDerWaalsContact O-CB 3.27Å; K160-M164 WeakPolarHBondContact O-CB 3.34Å; K160-M164 PolarHBondContact O-N 3.43Å; L161-M164 HydrophobicContact CD1-CE 3.94Å; L161-M164 WeakPolarHBondContact O-CB 3.4Å; L161-M164 PolarHBondContact O-N 2.91Å; M164-R166 VanDerWaalsContact C-N 3.32Å; M164-R166 PolarHBondContact O-N 2.71Å; M164-S168 PolarHBondContact O-N 3.25Å; M164-Y169 HydrophobicContact CG-CD2 4.35Å; M164-Y169 HydrophobicContact CG-CG 4.16Å; M164-Y169 VanDerWaalsContact O-CB 3.25Å; M164-Y169 WeakPolarHBondContact O-CB 3.39Å; M164-Y169 PolarHBondContact O-N 2.93Å; M164-Y169 HydrophobicContact SD-CD2 4.39Å
165L85.8Confident84Confident1 Ų136.5 Ų36.51%0.00517%0.165CC..Iπ-helixtrans-68.3-22.6-175.6-69.2174.6000114.7L125 L139 F141 L161 K163 V171 L173L125-L165 HydrophobicContact CD1-CD2 3.9Å; L139-L165 HydrophobicContact CD2-CD2 4.19Å; F141-L165 HydrophobicContact CD1-CD1 3.82Å; F141-L165 HydrophobicContact CD2-CD1 4.41Å; F141-L165 HydrophobicContact CE1-CD1 4.07Å; F141-L165 HydrophobicContact CG-CD1 4.01Å; F141-L165 HydrophobicContact CZ-CD1 4.49Å; L161-L165 HydrophobicContact CD1-CD1 4Å; L161-L165 HydrophobicContact CD1-CG 4.31Å; L161-L165 HydrophobicContact CG-CD1 4.22Å; L161-L165 WeakPolarHBondContact O-CG 3.4Å; L161-L165 PolarHBondContact O-N 2.86Å; K163-L165 PolarHBondContact O-N 2.98Å; L165-V171 HydrophobicContact CD2-CG1 4.3Å; L165-L173 HydrophobicContact CB-CD2 4.34Å
166R77.9Confident84.4Confident94 Ų9434.4 Ų34.436%0.35516%0.157SC..Iπ-helixtrans-87.4-55.2-179.7-178.4174.8173.7107.33.4112.9F162 K163 M164 L199F162-R166 WeakPolarHBondContact O-CB 3.44Å; F162-R166 PolarHBondContact O-N 3.25Å; F162-R166 VanDerWaalsContact O-N 3.12Å; K163-R166 PolarHBondContact O-N 3.03Å; M164-R166 VanDerWaalsContact C-N 3.32Å; M164-R166 PolarHBondContact O-N 2.71Å; R166-L199 PolarHBondContact NH1-O 3.37Å; R166-L199 PolarHBondContact NH2-O 2.92Å
167S78.3Confident84.8Confident39 Ų3932.2 Ų32.227%0.27314%0.143SC..Iπ-helixtrans-116.3-25.9-163.553.30000115.2L55 N58 K163L55-S167 VanDerWaalsContact CD1-O 3.3Å; L55-S167 WeakPolarHBondContact CD1-O 3.37Å; N58-S167 WeakPolarHBondContact CB-O 3.39Å; K163-S167 PolarHBondContact O-N 3.39Å; K163-S167 VanDerWaalsContact O-N 3.14Å; K163-S167 PolarHBondContact O-OG 2.98Å; K163-S167 VanDerWaalsContact O-OG 3.11Å
168S85.5Confident85Confident8 Ų832.1 Ų32.16%0.05614%0.143CC..Iπ-helixtrans-112-32.4-165.8-69.80000115.3N58 Y59 M164N58-S168 VanDerWaalsContact O-CB 3.27Å; N58-S168 WeakPolarHBondContact O-CB 3.35Å; N58-S168 PolarHBondContact O-OG 2.71Å; Y59-S168 WeakPolarHBondContact CA-O 3.41Å; Y59-S168 WeakPolarHBondContact CB-O 3.47Å; Y59-S168 VanDerWaalsContact CD2-O 3.26Å; Y59-S168 WeakPolarHBondContact CD2-O 3.34Å; Y59-S168 PolarHBondContact N-O 3.35Å; M164-S168 PolarHBondContact O-N 3.25Å
169Y90Very high85.2Confident2 Ų232 Ų321%0.00814%0.142CC..SBendtrans-92.4144.4-174.7-173.3-94.7000111.6Y59 I122 L125 D126 L129 M164 V171Y59-Y169 AromaticContact CE2-CD2 4Å; Y59-Y169 HydrophobicContact CE2-CD2 4Å; Y59-Y169 HydrophobicContact CE2-CE2 4.36Å; I122-Y169 HydrophobicContact CG1-CE2 4.34Å; I122-Y169 HydrophobicContact CG2-CE2 4.25Å; L125-Y169 VanDerWaalsContact C-OH 3.32Å; L125-Y169 HydrophobicContact CB-CE1 3.66Å; L125-Y169 VanDerWaalsContact CB-OH 3.22Å; L125-Y169 WeakPolarHBondContact CB-OH 3.45Å; L125-Y169 HydrophobicContact CD1-CD1 4.24Å; L125-Y169 HydrophobicContact CD1-CE1 3.87Å; L125-Y169 HydrophobicContact CG-CE1 4.35Å; D126-Y169 PolarHBondContact N-OH 3.32Å; D126-Y169 VanDerWaalsContact N-OH 3.09Å; D126-Y169 PolarHBondContact OD1-OH 3.12Å; L129-Y169 HydrophobicContact CD1-CE1 3.72Å; M164-Y169 HydrophobicContact CG-CD2 4.35Å; M164-Y169 HydrophobicContact CG-CG 4.16Å; M164-Y169 VanDerWaalsContact O-CB 3.25Å; M164-Y169 WeakPolarHBondContact O-CB 3.39Å; M164-Y169 PolarHBondContact O-N 2.93Å; M164-Y169 HydrophobicContact SD-CD2 4.39Å; Y169-V171 HydrophobicContact CD1-CB 3.92Å; Y169-V171 HydrophobicContact CD1-CG1 3.77Å; Y169-V171 HydrophobicContact CE1-CB 4.24Å; Y169-V171 HydrophobicContact CE1-CG1 4.5Å; Y169-V171 PolarHBondContact O-N 3.34Å
170P91Very high85.5Confident2 Ų233 Ų331%0.01315%0.148CC..SBendtrans-74.152.3-171.732-40.2000114.6L37 N40 I41 Y59 L129L37-P170 HydrophobicContact CD1-CB 4.41Å; L37-P170 HydrophobicContact CD1-CG 4.17Å; N40-P170 HydrophobicContact CB-CB 4.28Å; I41-P170 HydrophobicContact CG1-CB 3.65Å; Y59-P170 HydrophobicContact CE1-CG 4.49Å; Y59-P170 HydrophobicContact CE2-CG 4.27Å; L129-P170 WeakPolarHBondContact CD1-O 3.36Å
171V89.2Confident85.6Confident5 Ų531.1 Ų31.13%0.0314%0.141CC..SBendtrans-124.5144179.770.30000111.7L129 L139 L165 Y169 L173L129-V171 HydrophobicContact CD1-CB 4.32Å; L129-V171 HydrophobicContact CD2-CG2 4.26Å; L139-V171 HydrophobicContact CB-CG2 3.54Å; L139-V171 HydrophobicContact CD2-CG2 4.12Å; L139-V171 HydrophobicContact CG-CG2 4.46Å; L165-V171 HydrophobicContact CD2-CG1 4.3Å; Y169-V171 HydrophobicContact CD1-CB 3.92Å; Y169-V171 HydrophobicContact CD1-CG1 3.77Å; Y169-V171 HydrophobicContact CE1-CB 4.24Å; Y169-V171 HydrophobicContact CE1-CG1 4.5Å; Y169-V171 PolarHBondContact O-N 3.34Å; V171-L173 PolarHBondContact O-N 2.92Å
172R87.4Confident85.5Confident63 Ų6332.5 Ų32.524%0.23815%0.149CC..  trans-83.189.4165-177.1170.7-169.771.217.4110A44 G138 L139 R174A44-R172 PolarHBondContact O-NH1 2.9Å; G138-R172 CarbonylContact C-O 3.58Å; G138-R172 WeakPolarHBondContact CA-O 3.41Å; L139-R172 PolarHBondContact N-O 2.68Å; R172-R174 PolarHBondContact O-N 2.72Å
173L86.3Confident85.4Confident42 Ų4237.8 Ų37.822%0.2218%0.178CC..EExtended strand (participates in β ladder)trans-60.4128168.2-17162.9000109.6F141 L165 V171 V176F141-L173 HydrophobicContact CB-CD1 4.11Å; L165-L173 HydrophobicContact CB-CD2 4.34Å; V171-L173 PolarHBondContact O-N 2.92Å; L173-V176 HydrophobicContact CD1-CG2 4.23Å; L173-V176 HydrophobicContact CD2-CG2 4.01Å; L173-V176 HydrophobicContact CG-CG2 4.47Å
174R83.9Confident85.4Confident110 Ų11034.5 Ų34.542%0.41516%0.161SC..EExtended strand (participates in β ladder)trans-106-44.4-176.9-74.8-73.3-169.6148.97.5112.7V98 N137 L139 V140 R172V98-R174 HydrophobicContact CG1-CB 4.44Å; V98-R174 HydrophobicContact CG1-CG 3.97Å; N137-R174 PolarHBondContact O-NE 2.83Å; N137-R174 PolarHBondContact O-NH2 3.24Å; L139-R174 WeakPolarHBondContact O-CB 3.37Å; L139-R174 PolarHBondContact O-N 2.93Å; V140-R174 HydrophobicContact CG2-CB 4.16Å; R172-R174 PolarHBondContact O-N 2.72Å
175R84.1Confident85.3Confident65 Ų6534.6 Ų34.625%0.24516%0.162CC..EExtended strand (participates in β ladder)trans-155.9153.5176.7-69.5-167.6164.2129.8-6.4109.3V140 F141 L177 C203 Y205 P1205V140-R175 WeakPolarHBondContact CA-O 3.49Å; V140-R175 HydrophobicContact CG1-CB 4.3Å; V140-R175 HydrophobicContact CG2-CB 4.36Å; F141-R175 PolarHBondContact N-O 3.35Å; R175-L177 HydrophobicContact CB-CD2 4.19Å; R175-C203 CarbonylContact C-O 3.57Å; R175-C203 WeakPolarHBondContact CA-O 3.1Å; R175-Y205 HydrophobicContact CB-CD2 4.41Å; R175-Y205 HydrophobicContact CB-CE2 4.29Å; R175-Y205 HydrophobicContact CG-CD2 4.31Å; R175-Y205 HydrophobicContact CG-CE2 3.75Å; R175-Y205 PolarHBondContact NE-OH 3.23Å; R175-P1205 PolarHBondContact NH2-O 3.28Å
176V86.3Confident84.9Confident3 Ų339 Ų392%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-114.2124.7162.9175.20000106.9F141 F162 L173 I178 C203 V204 Y205F141-V176 HydrophobicContact CD1-CG1 4.34Å; F141-V176 HydrophobicContact CD1-CG2 4.46Å; F141-V176 CarbonylContact O-C 3.55Å; F141-V176 VanDerWaalsContact O-CA 3.27Å; F141-V176 WeakPolarHBondContact O-CA 3.45Å; F162-V176 HydrophobicContact CE1-CG1 3.74Å; F162-V176 HydrophobicContact CE1-CG2 4.18Å; F162-V176 HydrophobicContact CZ-CG1 4.29Å; L173-V176 HydrophobicContact CD1-CG2 4.23Å; L173-V176 HydrophobicContact CD2-CG2 4.01Å; L173-V176 HydrophobicContact CG-CG2 4.47Å; V176-I178 HydrophobicContact CG1-CG1 4.21Å; V176-C203 PolarHBondContact N-O 3.17Å; V176-V204 HydrophobicContact CB-CG2 4.03Å; V176-V204 HydrophobicContact CG1-CG1 4.45Å; V176-V204 HydrophobicContact CG1-CG2 4.43Å; V176-V204 HydrophobicContact CG2-CG2 4.42Å; V176-V204 WeakPolarHBondContact O-CA 3.38Å; V176-Y205 PolarHBondContact O-N 2.67Å
177L88.3Confident84.7Confident22 Ų2236.9 Ų36.912%0.11518%0.182CC..EExtended strand (participates in β ladder)trans-111.1111.6176.5-51.2-175.8000108.4V140 F141 I142 F143 R175 L179 Y205 L207V140-L177 HydrophobicContact CG1-CD1 4.06Å; V140-L177 HydrophobicContact CG1-CG 4.07Å; F141-L177 PolarHBondContact O-N 2.78Å; I142-L177 CarbonylContact C-O 3.47Å; I142-L177 WeakPolarHBondContact CA-O 3.48Å; I142-L177 HydrophobicContact CG1-CB 4.4Å; I142-L177 HydrophobicContact CG1-CD1 4.37Å; F143-L177 PolarHBondContact N-O 2.86Å; R175-L177 HydrophobicContact CB-CD2 4.19Å; L177-L179 HydrophobicContact CB-CD2 4.3Å; L177-Y205 CarbonylContact C-O 3.59Å; L177-Y205 WeakPolarHBondContact CA-O 3.29Å; L177-Y205 HydrophobicContact CD2-CD2 4.03Å; L177-Y205 HydrophobicContact CD2-CG 4.25Å; L177-L207 HydrophobicContact CB-CD1 4.37Å; L177-L207 HydrophobicContact CD1-CD1 4.46Å; L177-L207 HydrophobicContact CD2-CD1 4.14Å
178I88.9Confident84.4Confident0 Ų036.9 Ų36.90%018%0.18CC..EExtended strand (participates in β ladder)trans-91.6108.5175.3-55.2179.2000107.5F143 M145 V176 A181 F185 V204 Y205 V206 L207F143-I178 HydrophobicContact CB-CG1 4.35Å; F143-I178 HydrophobicContact CD1-CG2 4.47Å; F143-I178 VanDerWaalsContact O-CA 3.32Å; F143-I178 WeakPolarHBondContact O-CA 3.39Å; M145-I178 HydrophobicContact CG-CG2 3.97Å; M145-I178 HydrophobicContact SD-CG2 3.6Å; M145-I178 VanDerWaalsContact SD-CG2 3.6Å; V176-I178 HydrophobicContact CG1-CG1 4.21Å; I178-A181 HydrophobicContact CG2-CB 4.04Å; I178-F185 HydrophobicContact CD1-CE1 4.06Å; I178-F185 HydrophobicContact CD1-CZ 4Å; I178-F185 HydrophobicContact CG2-CE1 4.47Å; I178-V204 HydrophobicContact CD1-CG1 3.72Å; I178-V204 HydrophobicContact CG1-CG1 4.19Å; I178-Y205 PolarHBondContact N-O 3.13Å; I178-V206 HydrophobicContact CB-CG2 4.17Å; I178-V206 HydrophobicContact CD1-CG2 4.17Å; I178-V206 WeakPolarHBondContact O-CA 3.25Å; I178-L207 PolarHBondContact O-N 2.93Å
179L88.2Confident83.7Confident0 Ų037.5 Ų37.50%018%0.182CC..EExtended strand (participates in β ladder)trans-88.3135.6-176.5-54.9-172000111.4I142 F143 M145 L177 A181 L207 L215I142-L179 HydrophobicContact CG2-CD1 3.52Å; I142-L179 HydrophobicContact CG2-CD2 4.45Å; I142-L179 HydrophobicContact CG2-CG 3.67Å; F143-L179 PolarHBondContact O-N 3.35Å; F143-L179 VanDerWaalsContact O-N 3.08Å; M145-L179 WeakPolarHBondContact CA-O 3.22Å; M145-L179 WeakPolarHBondContact CB-O 3.42Å; M145-L179 PolarHBondContact N-O 3.22Å; M145-L179 VanDerWaalsContact N-O 3.07Å; L177-L179 HydrophobicContact CB-CD2 4.3Å; L179-A181 VanDerWaalsContact C-N 3.27Å; L179-A181 PolarHBondContact O-N 3.42Å; L179-A181 VanDerWaalsContact O-N 3.12Å; L179-L207 CarbonylContact C-O 3.6Å; L179-L207 HydrophobicContact CD2-CB 4.16Å; L179-L207 HydrophobicContact CD2-CD1 4.38Å; L179-L215 HydrophobicContact CD1-CD1 4.39Å; L179-L215 HydrophobicContact CD1-CG 4.44Å; L179-L215 HydrophobicContact CD2-CD1 3.93Å; L179-L215 HydrophobicContact CD2-CD2 3.89Å; L179-L215 HydrophobicContact CD2-CG 3.9Å
180T85.4Confident82.6Confident40 Ų4041.2 Ų41.225%0.24520%0.202CC..SBendtrans43.248.3173.958.60000113.7T146 P182 L207 P209T146-T180 WeakPolarHBondContact CA-OG1 3.29Å; T146-T180 VanDerWaalsContact CB-OG1 3.25Å; T146-T180 WeakPolarHBondContact CB-OG1 3.22Å; T146-T180 PolarHBondContact N-OG1 3.04Å; T146-T180 VanDerWaalsContact N-OG1 3.09Å; T146-T180 PolarHBondContact OG1-OG1 2.97Å; T180-P182 WeakPolarHBondContact O-CD 3.48Å; T180-P182 VanDerWaalsContact O-N 3.15Å; T180-L207 PolarHBondContact N-O 2.92Å; T180-P209 HydrophobicContact CG2-CG 4.17Å
181A85Confident81.4Confident8 Ų847.3 Ų47.37%0.06623%0.233CC..  trans-53.5121.5-18000000111.1M145 I178 L179 F185 V206M145-A181 HydrophobicContact SD-CB 4.3Å; I178-A181 HydrophobicContact CG2-CB 4.04Å; L179-A181 VanDerWaalsContact C-N 3.27Å; L179-A181 PolarHBondContact O-N 3.42Å; L179-A181 VanDerWaalsContact O-N 3.12Å; A181-F185 HydrophobicContact CB-CD1 3.81Å; A181-F185 HydrophobicContact CB-CE1 4.5Å; A181-V206 HydrophobicContact CB-CG1 3.74Å
182P84.7Confident79.9Confident28 Ų2849 Ų4918%0.18224%0.242CC..  trans-66.3161.1-178.227.7-36.3000111.2M145 T180 W184 F185 R186M145-P182 HydrophobicContact CE-CG 4.25Å; T180-P182 WeakPolarHBondContact O-CD 3.48Å; T180-P182 VanDerWaalsContact O-N 3.15Å; P182-W184 VanDerWaalsContact C-N 3.25Å; P182-W184 HydrophobicContact CG-CD2 4.06Å; P182-W184 HydrophobicContact CG-CG 4.35Å; P182-W184 HydrophobicContact CG-CH2 4.43Å; P182-W184 HydrophobicContact CG-CZ2 3.55Å; P182-W184 PolarHBondContact O-N 2.75Å; P182-W184 VanDerWaalsContact O-N 3.16Å; P182-F185 HydrophobicContact CG-CB 4.39Å; P182-F185 PolarHBondContact O-N 3.36Å; P182-R186 PolarHBondContact O-N 2.98Å
183L79.4Confident78.7Confident124 Ų12452.5 Ų52.565%0.64926%0.255SS*.Hα-helixtrans-55.2-40-172.4-174.463.8000112.9F185 R186 A187L183-F185 PolarHBondContact O-N 3.07Å; L183-R186 PolarHBondContact O-N 3.3Å; L183-A187 PolarHBondContact O-N 2.95Å
184W81.4Confident77.1Confident68 Ų6856.4 Ų56.426%0.25828%0.28SS..Hα-helixtrans-59.9-31.6178.162.9-103.1000113.1M145 S148 Y150 F153 P182 P188 F1283M145-W184 HydrophobicContact CE-CH2 3.44Å; M145-W184 VanDerWaalsContact CE-CH2 3.44Å; M145-W184 HydrophobicContact CE-CZ2 3.86Å; M145-W184 HydrophobicContact CE-CZ3 4.24Å; S148-W184 PolarHBondContact O-NE1 3.14Å; Y150-W184 HydrophobicContact CD2-CD2 4.2Å; Y150-W184 AromaticContact CD2-CE3 3.82Å; Y150-W184 HydrophobicContact CD2-CE3 3.82Å; Y150-W184 HydrophobicContact CD2-CH2 4.49Å; Y150-W184 AromaticContact CD2-CZ3 3.98Å; Y150-W184 HydrophobicContact CD2-CZ3 3.98Å; F153-W184 HydrophobicContact CB-CH2 3.56Å; F153-W184 HydrophobicContact CB-CZ2 4.3Å; F153-W184 HydrophobicContact CB-CZ3 4.21Å; F153-W184 HydrophobicContact CD1-CH2 4.21Å; F153-W184 HydrophobicContact CD1-CZ3 4.09Å; F153-W184 AromaticContact CD2-CH2 3.93Å; F153-W184 HydrophobicContact CD2-CH2 3.93Å; F153-W184 HydrophobicContact CD2-CZ3 4.45Å; F153-W184 AromaticContact CG-CH2 3.64Å; F153-W184 HydrophobicContact CG-CH2 3.64Å; F153-W184 AromaticContact CG-CZ3 4Å; F153-W184 HydrophobicContact CG-CZ3 4Å; P182-W184 VanDerWaalsContact C-N 3.25Å; P182-W184 HydrophobicContact CG-CD2 4.06Å; P182-W184 HydrophobicContact CG-CG 4.35Å; P182-W184 HydrophobicContact CG-CH2 4.43Å; P182-W184 HydrophobicContact CG-CZ2 3.55Å; P182-W184 PolarHBondContact O-N 2.75Å; P182-W184 VanDerWaalsContact O-N 3.16Å; W184-P188 WeakPolarHBondContact O-CD 3.08Å; W184-F1283 HydrophobicContact CE3-CD1 4.34Å; W184-F1283 HydrophobicContact CE3-CE1 4.1Å; W184-F1283 HydrophobicContact CZ3-CD1 4.35Å; W184-F1283 HydrophobicContact CZ3-CE1 4.31Å; W184-F1283 WeakPolarHBondContact O-CE1 3.29Å
185F84.1Confident75.3Confident3 Ų358.1 Ų58.11%0.01329%0.291CS..Hα-helixtrans-84.9-42.5172.2-173.8-84.9000111.5M145 F153 I178 A181 P182 L183 A187 F189 F1283M145-F185 HydrophobicContact CE-CB 4.05Å; M145-F185 HydrophobicContact CE-CD2 3.8Å; M145-F185 HydrophobicContact CE-CE2 4.46Å; M145-F185 HydrophobicContact CE-CG 3.97Å; M145-F185 HydrophobicContact SD-CB 4.48Å; M145-F185 HydrophobicContact SD-CD1 4.23Å; M145-F185 HydrophobicContact SD-CD2 4.07Å; M145-F185 HydrophobicContact SD-CE1 4.5Å; M145-F185 HydrophobicContact SD-CE2 4.34Å; M145-F185 HydrophobicContact SD-CG 4Å; F153-F185 HydrophobicContact CE2-CE2 4.45Å; F153-F185 HydrophobicContact CZ-CE2 4.34Å; I178-F185 HydrophobicContact CD1-CE1 4.06Å; I178-F185 HydrophobicContact CD1-CZ 4Å; I178-F185 HydrophobicContact CG2-CE1 4.47Å; A181-F185 HydrophobicContact CB-CD1 3.81Å; A181-F185 HydrophobicContact CB-CE1 4.5Å; P182-F185 HydrophobicContact CG-CB 4.39Å; P182-F185 PolarHBondContact O-N 3.36Å; L183-F185 PolarHBondContact O-N 3.07Å; F185-A187 PolarHBondContact O-N 2.92Å; F185-F189 HydrophobicContact CD1-CB 4.19Å; F185-F189 HydrophobicContact CE1-CB 4.07Å; F185-F189 AromaticContact CE1-CD2 3.7Å; F185-F189 HydrophobicContact CE1-CD2 3.7Å; F185-F189 HydrophobicContact CE1-CG 4.09Å; F185-F189 HydrophobicContact CZ-CD2 4.16Å; F185-F189 WeakPolarHBondContact O-CB 3.47Å; F185-F189 PolarHBondContact O-N 3.27Å; F185-F189 VanDerWaalsContact O-N 3.12Å; F185-F1283 HydrophobicContact CD2-CE1 4.39Å; F185-F1283 HydrophobicContact CD2-CE2 4.32Å; F185-F1283 AromaticContact CD2-CZ 3.97Å; F185-F1283 HydrophobicContact CD2-CZ 3.97Å; F185-F1283 HydrophobicContact CE2-CE2 4.39Å; F185-F1283 HydrophobicContact CE2-CZ 4.46Å; F185-F1283 HydrophobicContact CG-CZ 4.34Å
186R78.5Confident73.7Confident92 Ų9255.6 Ų55.635%0.34728%0.282SS..Hα-helixtrans-65.4-38.9-172.4-161.8-171.978.8126-1.8112.7P182 L183 L190P182-R186 PolarHBondContact O-N 2.98Å; L183-R186 PolarHBondContact O-N 3.3Å; R186-L190 HydrophobicContact CG-CD1 3.91Å; R186-L190 HydrophobicContact CG-CG 4.27Å; R186-L190 WeakPolarHBondContact O-CB 3.29Å; R186-L190 VanDerWaalsContact O-CG 3.27Å; R186-L190 WeakPolarHBondContact O-CG 3.4Å; R186-L190 PolarHBondContact O-N 3.05Å
187A73.2Confident71.8Confident51 Ų5164.9 Ų64.942%0.42132%0.317SS..Hα-helixtrans-66.8-53.6-17700000112.6L183 F185 F189 L190 L191L183-A187 PolarHBondContact O-N 2.95Å; F185-A187 PolarHBondContact O-N 2.92Å; A187-F189 VanDerWaalsContact C-N 3.31Å; A187-F189 PolarHBondContact O-N 2.66Å; A187-L190 PolarHBondContact O-N 2.54Å; A187-L191 PolarHBondContact O-N 2.74Å
188P72.5Confident69.8Low38 Ų3871.6 Ų71.625%0.24735%0.348CS..Hα-helixtrans-62.5-35.7173.4-21.633.3000113W184 L190 L191 M192 F1283W184-P188 WeakPolarHBondContact O-CD 3.08Å; P188-L190 VanDerWaalsContact C-N 3.35Å; P188-L190 PolarHBondContact O-N 2.86Å; P188-L191 PolarHBondContact O-N 3.41Å; P188-M192 WeakPolarHBondContact O-CB 3.33Å; P188-M192 WeakPolarHBondContact O-CG 3.46Å; P188-M192 PolarHBondContact O-N 2.91Å; P188-F1283 HydrophobicContact CB-CE1 4.28Å; P188-F1283 HydrophobicContact CB-CE2 4.35Å; P188-F1283 HydrophobicContact CB-CZ 3.75Å; P188-F1283 HydrophobicContact CG-CE1 3.96Å; P188-F1283 HydrophobicContact CG-CZ 3.9Å
189F70.6Confident67.7Low21 Ų2178.1 Ų78.19%0.09238%0.382CS..Hα-helixtrans-62.6-40176.2-178.8-79.6000112.4F185 A187 R193 V206 L1279F185-F189 HydrophobicContact CD1-CB 4.19Å; F185-F189 HydrophobicContact CE1-CB 4.07Å; F185-F189 AromaticContact CE1-CD2 3.7Å; F185-F189 HydrophobicContact CE1-CD2 3.7Å; F185-F189 HydrophobicContact CE1-CG 4.09Å; F185-F189 HydrophobicContact CZ-CD2 4.16Å; F185-F189 WeakPolarHBondContact O-CB 3.47Å; F185-F189 PolarHBondContact O-N 3.27Å; F185-F189 VanDerWaalsContact O-N 3.12Å; A187-F189 VanDerWaalsContact C-N 3.31Å; A187-F189 PolarHBondContact O-N 2.66Å; F189-R193 WeakPolarHBondContact O-CB 3.49Å; F189-R193 PolarHBondContact O-N 2.88Å; F189-R193 VanDerWaalsContact O-N 3.14Å; F189-V206 HydrophobicContact CD1-CG2 3.99Å; F189-V206 HydrophobicContact CD2-CG2 4.31Å; F189-V206 HydrophobicContact CE1-CB 4.49Å; F189-V206 HydrophobicContact CE1-CG2 3.59Å; F189-V206 HydrophobicContact CE2-CG2 3.94Å; F189-V206 HydrophobicContact CG-CG2 4.36Å; F189-V206 HydrophobicContact CZ-CG2 3.57Å; F189-L1279 HydrophobicContact CB-CD1 4.28Å; F189-L1279 HydrophobicContact CD2-CD1 3.52Å; F189-L1279 HydrophobicContact CD2-CD2 4.33Å; F189-L1279 HydrophobicContact CE2-CD1 4.1Å; F189-L1279 HydrophobicContact CG-CD1 4.13Å
190L66.7Low65.7Low80 Ų8078.9 Ų78.942%0.41939%0.385SS..Hα-helixtrans-69.8-45176.8-75.4171000111.6R186 A187 P188 M192 R193R186-L190 HydrophobicContact CG-CD1 3.91Å; R186-L190 HydrophobicContact CG-CG 4.27Å; R186-L190 WeakPolarHBondContact O-CB 3.29Å; R186-L190 VanDerWaalsContact O-CG 3.27Å; R186-L190 WeakPolarHBondContact O-CG 3.4Å; R186-L190 PolarHBondContact O-N 3.05Å; A187-L190 PolarHBondContact O-N 2.54Å; P188-L190 VanDerWaalsContact C-N 3.35Å; P188-L190 PolarHBondContact O-N 2.86Å; L190-M192 PolarHBondContact O-N 3.5Å; L190-R193 WeakPolarHBondContact O-CB 3.31Å; L190-R193 PolarHBondContact O-N 2.99Å
191L64.9Low64Low130 Ų13080.3 Ų80.368%0.68139%0.389SS*.Hα-helixtrans-57.9-47.6177.8-161.784.5000111.3A187 P188 R193A187-L191 PolarHBondContact O-N 2.74Å; P188-L191 PolarHBondContact O-N 3.41Å; L191-R193 VanDerWaalsContact C-N 3.32Å; L191-R193 PolarHBondContact O-N 2.8Å
192M58.4Low62.7Low42 Ų4283.6 Ų83.621%0.20741%0.406CS..Hα-helixtrans-77.1-11.9-179.7-68.9-55-72.100114.4P188 L190 V194 F195 I196 L1279 L1282P188-M192 WeakPolarHBondContact O-CB 3.33Å; P188-M192 WeakPolarHBondContact O-CG 3.46Å; P188-M192 PolarHBondContact O-N 2.91Å; L190-M192 PolarHBondContact O-N 3.5Å; M192-V194 PolarHBondContact O-N 3.45Å; M192-F195 HydrophobicContact CE-CB 4.05Å; M192-F195 HydrophobicContact CE-CD2 4.41Å; M192-F195 HydrophobicContact CE-CG 4.46Å; M192-F195 WeakPolarHBondContact O-CA 3.32Å; M192-F195 PolarHBondContact O-N 2.86Å; M192-F195 HydrophobicContact SD-CD2 4.18Å; M192-I196 WeakPolarHBondContact O-CG1 3.41Å; M192-I196 PolarHBondContact O-N 2.87Å; M192-I196 VanDerWaalsContact O-N 3.09Å; M192-L1279 HydrophobicContact CB-CD1 4.31Å; M192-L1282 HydrophobicContact CE-CD1 4.43Å; M192-L1282 HydrophobicContact CG-CD1 3.33Å; M192-L1282 HydrophobicContact SD-CD1 3.78Å
193R62.5Low61.8Low135 Ų13584.4 Ų84.451%0.50941%0.411SS..THydrogen-bonded Turntrans-57.6-28.8-173.6-174.4173.6173.2-170.5-4.3113.4F189 L190 L191F189-R193 WeakPolarHBondContact O-CB 3.49Å; F189-R193 PolarHBondContact O-N 2.88Å; F189-R193 VanDerWaalsContact O-N 3.14Å; L190-R193 WeakPolarHBondContact O-CB 3.31Å; L190-R193 PolarHBondContact O-N 2.99Å; L191-R193 VanDerWaalsContact C-N 3.32Å; L191-R193 PolarHBondContact O-N 2.8Å
194V52.2Low61.5Low124 Ų12479.3 Ų79.375%0.75239%0.385SS*.THydrogen-bonded Turntrans-68.9-34.6176-172.30000111.8M192M192-V194 PolarHBondContact O-N 3.45Å
195F47Very low61.3Low147 Ų14777.5 Ų77.565%0.64538%0.379SS*.THydrogen-bonded Turntrans-88.9-16.8-178.2-58-80.7000113.6M192 R197M192-F195 HydrophobicContact CE-CB 4.05Å; M192-F195 HydrophobicContact CE-CD2 4.41Å; M192-F195 HydrophobicContact CE-CG 4.46Å; M192-F195 WeakPolarHBondContact O-CA 3.32Å; M192-F195 PolarHBondContact O-N 2.86Å; M192-F195 HydrophobicContact SD-CD2 4.18Å; F195-R197 PolarHBondContact O-N 3.34Å
196I50Low61.2Low11 Ų1179.7 Ų79.76%0.05639%0.392CS..SBendtrans-69.295172.7-57.1165.8000109.3M192 F200 Q201 P1275 L1279M192-I196 WeakPolarHBondContact O-CG1 3.41Å; M192-I196 PolarHBondContact O-N 2.87Å; M192-I196 VanDerWaalsContact O-N 3.09Å; I196-F200 HydrophobicContact CG2-CB 3.73Å; I196-Q201 PolarHBondContact O-NE2 3.41Å; I196-P1275 HydrophobicContact CG2-CB 4.24Å; I196-L1279 HydrophobicContact CD1-CD1 3.48Å; I196-L1279 VanDerWaalsContact CD1-CD1 3.48Å; I196-L1279 HydrophobicContact CG1-CD1 4.32Å
197R46.8Very low61.3Low199 Ų19977.5 Ų77.575%0.75139%0.387SS*.  trans-43.9144.7174.1-77.8174.2148.6169.5-7.2111.9F195 L199 F200 P1275F195-R197 PolarHBondContact O-N 3.34Å; R197-L199 PolarHBondContact O-N 3.08Å; R197-F200 PolarHBondContact O-N 2.99Å; R197-P1275 HydrophobicContact CB-CG 4.08Å
198E46Very low61.5Low163 Ų16383.6 Ų83.676%0.76240%0.399SS*.G310 helixtrans-44.8-36.2-168-56.6178.7127.500115F200 Q201E198-F200 PolarHBondContact O-N 2.87Å; E198-Q201 PolarHBondContact O-N 3.1Å
199L43.8Very low61.5Low137 Ų13783 Ų8372%0.71740%0.395SS*.G310 helixtrans-54.50.6178.7-74.1167.2000116.9R166 R197R166-L199 PolarHBondContact NH1-O 3.37Å; R166-L199 PolarHBondContact NH2-O 2.92Å; R197-L199 PolarHBondContact O-N 3.08Å
200F45.8Very low61.4Low16 Ų1685 Ų857%0.0741%0.412CS..G310 helixtrans-125-21.2173-116.4-74.3000115.1I196 R197 E198 D202 C203 V204 F1276I196-F200 HydrophobicContact CG2-CB 3.73Å; R197-F200 PolarHBondContact O-N 2.99Å; E198-F200 PolarHBondContact O-N 2.87Å; F200-D202 VanDerWaalsContact C-N 3.31Å; F200-D202 PolarHBondContact O-N 3.48Å; F200-C203 PolarHBondContact O-N 2.82Å; F200-V204 HydrophobicContact CD1-CG2 3.56Å; F200-V204 HydrophobicContact CE1-CG2 3.69Å; F200-V204 PolarHBondContact O-N 3.29Å; F200-F1276 HydrophobicContact CD1-CB 4.2Å; F200-F1276 HydrophobicContact CD1-CD2 4.24Å; F200-F1276 HydrophobicContact CD1-CG 4.38Å; F200-F1276 HydrophobicContact CD2-CB 3.85Å; F200-F1276 HydrophobicContact CE1-CB 3.84Å; F200-F1276 HydrophobicContact CE1-CD1 4.44Å; F200-F1276 HydrophobicContact CE1-CD2 4.03Å; F200-F1276 AromaticContact CE1-CG 3.85Å; F200-F1276 HydrophobicContact CE1-CG 3.85Å; F200-F1276 HydrophobicContact CE2-CB 3.45Å; F200-F1276 VanDerWaalsContact CE2-CB 3.45Å; F200-F1276 HydrophobicContact CE2-CG 4.32Å; F200-F1276 HydrophobicContact CG-CB 4.21Å; F200-F1276 HydrophobicContact CZ-CB 3.44Å; F200-F1276 VanDerWaalsContact CZ-CB 3.44Å; F200-F1276 HydrophobicContact CZ-CD1 4.25Å; F200-F1276 HydrophobicContact CZ-CD2 4.44Å; F200-F1276 AromaticContact CZ-CG 3.81Å; F200-F1276 HydrophobicContact CZ-CG 3.81Å
201Q51.6Low61.5Low70 Ų7086.7 Ų86.733%0.32743%0.427SS..THydrogen-bonded Turntrans-66.7-32.6-173.5-58-159.526.700112.5I196 E198 C203I196-Q201 PolarHBondContact O-NE2 3.41Å; E198-Q201 PolarHBondContact O-N 3.1Å; Q201-C203 VanDerWaalsContact C-N 3.25Å; Q201-C203 PolarHBondContact O-N 3.17Å
202D56.8Low61.4Low77 Ų7784.1 Ų84.141%0.41243%0.433SS..THydrogen-bonded Turntrans-65.7-23.6-179.5-8320000115.1F200 Y205 L1204F200-D202 VanDerWaalsContact C-N 3.31Å; F200-D202 PolarHBondContact O-N 3.48Å; D202-Y205 WeakPolarHBondContact O-CE2 3.46Å; D202-Y205 PolarHBondContact O-OH 3.45Å; D202-L1204 HydrophobicContact CB-CD2 4.06Å
203C66.1Low62.1Low44 Ų4484.6 Ų84.630%0.29744%0.438SS..THydrogen-bonded Turntrans-110.6-30-167.6-72.70000114.3R175 V176 F200 Q201 Y205R175-C203 CarbonylContact C-O 3.57Å; R175-C203 WeakPolarHBondContact CA-O 3.1Å; V176-C203 PolarHBondContact N-O 3.17Å; F200-C203 PolarHBondContact O-N 2.82Å; Q201-C203 VanDerWaalsContact C-N 3.25Å; Q201-C203 PolarHBondContact O-N 3.17Å; C203-Y205 WeakPolarHBondContact O-CD2 3.11Å
204V73Confident62.5Low18 Ų1885.5 Ų85.511%0.10945%0.445CS..EExtended strand (participates in β ladder)trans-104.8120.5-175.9-179.80000110.9V176 I178 F200V176-V204 HydrophobicContact CB-CG2 4.03Å; V176-V204 HydrophobicContact CG1-CG1 4.45Å; V176-V204 HydrophobicContact CG1-CG2 4.43Å; V176-V204 HydrophobicContact CG2-CG2 4.42Å; V176-V204 WeakPolarHBondContact O-CA 3.38Å; I178-V204 HydrophobicContact CD1-CG1 3.72Å; I178-V204 HydrophobicContact CG1-CG1 4.19Å; F200-V204 HydrophobicContact CD1-CG2 3.56Å; F200-V204 HydrophobicContact CE1-CG2 3.69Å; F200-V204 PolarHBondContact O-N 3.29Å
205Y76.4Confident63.4Low30 Ų3081.5 Ų81.512%0.11842%0.42CS..EExtended strand (participates in β ladder)trans-120.2113.3-178.7-58.5-101.6000109.8R175 V176 L177 I178 D202 C203 P1207R175-Y205 HydrophobicContact CB-CD2 4.41Å; R175-Y205 HydrophobicContact CB-CE2 4.29Å; R175-Y205 HydrophobicContact CG-CD2 4.31Å; R175-Y205 HydrophobicContact CG-CE2 3.75Å; R175-Y205 PolarHBondContact NE-OH 3.23Å; V176-Y205 PolarHBondContact O-N 2.67Å; L177-Y205 CarbonylContact C-O 3.59Å; L177-Y205 WeakPolarHBondContact CA-O 3.29Å; L177-Y205 HydrophobicContact CD2-CD2 4.03Å; L177-Y205 HydrophobicContact CD2-CG 4.25Å; I178-Y205 PolarHBondContact N-O 3.13Å; D202-Y205 WeakPolarHBondContact O-CE2 3.46Å; D202-Y205 PolarHBondContact O-OH 3.45Å; C203-Y205 WeakPolarHBondContact O-CD2 3.11Å; Y205-P1207 HydrophobicContact CD1-CG 4.41Å; Y205-P1207 HydrophobicContact CE1-CG 4.42Å
206V82Confident64.7Low49 Ų4977.6 Ų77.630%0.29740%0.404SS..EExtended strand (participates in β ladder)trans-82.3119.7168.7-178.90000108.7I178 A181 F189I178-V206 HydrophobicContact CB-CG2 4.17Å; I178-V206 HydrophobicContact CD1-CG2 4.17Å; I178-V206 WeakPolarHBondContact O-CA 3.25Å; A181-V206 HydrophobicContact CB-CG1 3.74Å; F189-V206 HydrophobicContact CD1-CG2 3.99Å; F189-V206 HydrophobicContact CD2-CG2 4.31Å; F189-V206 HydrophobicContact CE1-CB 4.49Å; F189-V206 HydrophobicContact CE1-CG2 3.59Å; F189-V206 HydrophobicContact CE2-CG2 3.94Å; F189-V206 HydrophobicContact CG-CG2 4.36Å; F189-V206 HydrophobicContact CZ-CG2 3.57Å
207L81.1Confident65.9Low45 Ų4579.9 Ų79.924%0.23642%0.424CS..EExtended strand (participates in β ladder)trans-124.6129.7-173.3-59.4178.4000110.8L177 I178 L179 T180 L215L177-L207 HydrophobicContact CB-CD1 4.37Å; L177-L207 HydrophobicContact CD1-CD1 4.46Å; L177-L207 HydrophobicContact CD2-CD1 4.14Å; I178-L207 PolarHBondContact O-N 2.93Å; L179-L207 CarbonylContact C-O 3.6Å; L179-L207 HydrophobicContact CD2-CB 4.16Å; L179-L207 HydrophobicContact CD2-CD1 4.38Å; T180-L207 PolarHBondContact N-O 2.92Å; L207-L215 HydrophobicContact CB-CD2 4.11Å; L207-L215 HydrophobicContact CD1-CD2 3.74Å
208R78Confident67.4Low180 Ų18072.9 Ų72.968%0.67940%0.401SS*.PPolyproline II helixtrans-91.2117.5154-69.6-176.5-179.3171.9-2.5106.8
209P71.2Confident68.8Low24 Ų2465.1 Ų65.116%0.15637%0.365CS..PPolyproline II helixtrans-56.7151.9166.8-21.734.2000110.7T180 L215 E216T180-P209 HydrophobicContact CG2-CG 4.17Å; P209-L215 HydrophobicContact CB-CB 4.17Å; P209-L215 HydrophobicContact CB-CD2 4.36Å; P209-L215 HydrophobicContact CB-CG 4.38Å; P209-L215 HydrophobicContact CG-CB 4.36Å; P209-L215 HydrophobicContact CG-CD2 4.08Å; P209-L215 HydrophobicContact CG-CG 4.05Å; P209-E216 HydrophobicContact CB-CB 3.82Å
210S69.3Low70.4Confident65 Ų6563.7 Ų63.746%0.45536%0.355SS..PPolyproline II helixtrans-94.3150.9167.4-54.30000109.7T213S210-T213 WeakPolarHBondContact O-CB 3.48Å; S210-T213 VanDerWaalsContact O-CG2 3.22Å; S210-T213 WeakPolarHBondContact O-CG2 3.48Å; S210-T213 PolarHBondContact O-N 2.86Å; S210-T213 PolarHBondContact O-OG1 2.89Å
211P68.6Low72.1Confident114 Ų11464.6 Ų64.674%0.7436%0.362SS*.THydrogen-bonded Turntrans-52.3138.6174.5-3037.2000113.7T213 E216P211-T213 VanDerWaalsContact C-N 3.3Å; P211-T213 PolarHBondContact O-N 2.89Å; P211-E216 WeakPolarHBondContact CA-OE1 3.46Å; P211-E216 WeakPolarHBondContact CA-OE2 3.48Å
212G62.3Low73.4Confident77 Ų7765.2 Ų65.279%0.79437%0.367SS*.THydrogen-bonded Turntrans76.46.1-178.100000115.2E216G212-E216 PolarHBondContact N-OE2 2.86Å
213T73.3Confident74.4Confident51 Ų5163.6 Ų63.631%0.31336%0.361SS..  trans-88.3151.2-178.663.70000113.2S210 P211 L215 E216 A217S210-T213 WeakPolarHBondContact O-CB 3.48Å; S210-T213 VanDerWaalsContact O-CG2 3.22Å; S210-T213 WeakPolarHBondContact O-CG2 3.48Å; S210-T213 PolarHBondContact O-N 2.86Å; S210-T213 PolarHBondContact O-OG1 2.89Å; P211-T213 VanDerWaalsContact C-N 3.3Å; P211-T213 PolarHBondContact O-N 2.89Å; T213-L215 PolarHBondContact O-N 3.02Å; T213-E216 WeakPolarHBondContact O-CB 3.44Å; T213-E216 PolarHBondContact O-N 2.91Å; T213-E216 PolarHBondContact OG1-N 3.44Å; T213-A217 PolarHBondContact O-N 3.24Å; T213-A217 VanDerWaalsContact O-N 3.15Å
214K70.8Confident74.9Confident154 Ų15466.8 Ų66.867%0.6738%0.379SS*.THydrogen-bonded Turntrans-58-15.7170.6-69.3-172.7179.5177.70113.8L218 T1213K214-L218 WeakPolarHBondContact O-CG 3.27Å; K214-T1213 PolarHBondContact NZ-OG1 2.79Å; K214-T1213 VanDerWaalsContact NZ-OG1 3.1Å
215L70.9Confident75.2Confident41 Ų4170 Ų7022%0.21540%0.395CS..THydrogen-bonded Turntrans-85.4-34.1176.6-162.172.1000111.7L179 L207 P209 T213 L218 S219L179-L215 HydrophobicContact CD1-CD1 4.39Å; L179-L215 HydrophobicContact CD1-CG 4.44Å; L179-L215 HydrophobicContact CD2-CD1 3.93Å; L179-L215 HydrophobicContact CD2-CD2 3.89Å; L179-L215 HydrophobicContact CD2-CG 3.9Å; L207-L215 HydrophobicContact CB-CD2 4.11Å; L207-L215 HydrophobicContact CD1-CD2 3.74Å; P209-L215 HydrophobicContact CB-CB 4.17Å; P209-L215 HydrophobicContact CB-CD2 4.36Å; P209-L215 HydrophobicContact CB-CG 4.38Å; P209-L215 HydrophobicContact CG-CB 4.36Å; P209-L215 HydrophobicContact CG-CD2 4.08Å; P209-L215 HydrophobicContact CG-CG 4.05Å; T213-L215 PolarHBondContact O-N 3.02Å; L215-L218 HydrophobicContact CD1-CD1 4.46Å; L215-L218 PolarHBondContact O-N 2.63Å; L215-S219 PolarHBondContact O-N 2.76Å
216E75.2Confident75.5Confident65 Ų6569.6 Ų69.630%0.30439%0.394SS..Hα-helixtrans-66.5-41.9170.9179.8-175.5-121.600110.6P209 P211 G212 T213 L218 S219 H220P209-E216 HydrophobicContact CB-CB 3.82Å; P211-E216 WeakPolarHBondContact CA-OE1 3.46Å; P211-E216 WeakPolarHBondContact CA-OE2 3.48Å; G212-E216 PolarHBondContact N-OE2 2.86Å; T213-E216 WeakPolarHBondContact O-CB 3.44Å; T213-E216 PolarHBondContact O-N 2.91Å; T213-E216 PolarHBondContact OG1-N 3.44Å; E216-L218 PolarHBondContact O-N 2.96Å; E216-L218 VanDerWaalsContact O-N 3.1Å; E216-S219 CarbonylContact O-C 3.59Å; E216-S219 WeakPolarHBondContact O-CA 3.01Å; E216-S219 WeakPolarHBondContact O-CB 3.4Å; E216-S219 PolarHBondContact O-N 3.46Å; E216-H220 PolarHBondContact O-N 2.99Å
217A74.7Confident75.5Confident59 Ų5969.9 Ų69.949%0.48839%0.392SS..Hα-helixtrans-64.1-11.4173.700000114.3T213 P221T213-A217 PolarHBondContact O-N 3.24Å; T213-A217 VanDerWaalsContact O-N 3.15Å; A217-P221 WeakPolarHBondContact O-CA 3.29Å
218L77.7Confident75.6Confident51 Ų5176 Ų7627%0.26741%0.412SS..Hα-helixtrans-91.2-31.7168.7-71.6171.5000112.2L90 Q102 I142 K214 L215 E216 P221L90-L218 HydrophobicContact CD1-CD2 3.73Å; Q102-L218 PolarHBondContact NE2-O 2.79Å; I142-L218 HydrophobicContact CD1-CD1 4.1Å; K214-L218 WeakPolarHBondContact O-CG 3.27Å; L215-L218 HydrophobicContact CD1-CD1 4.46Å; L215-L218 PolarHBondContact O-N 2.63Å; E216-L218 PolarHBondContact O-N 2.96Å; E216-L218 VanDerWaalsContact O-N 3.1Å; L218-P221 WeakPolarHBondContact O-CD 3.45Å
219S76Confident75.9Confident1 Ų170.9 Ų70.91%0.00740%0.398CS..Hα-helixtrans-71.5-36.2171.2-81.80000112.7R106 T146 L215 E216 P221R106-S219 VanDerWaalsContact CZ-O 3.28Å; R106-S219 PolarHBondContact NH1-O 2.91Å; R106-S219 PolarHBondContact NH2-O 2.7Å; T146-S219 WeakPolarHBondContact OG1-CB 3.46Å; T146-S219 PolarHBondContact OG1-OG 2.88Å; L215-S219 PolarHBondContact O-N 2.76Å; E216-S219 CarbonylContact O-C 3.59Å; E216-S219 WeakPolarHBondContact O-CA 3.01Å; E216-S219 WeakPolarHBondContact O-CB 3.4Å; E216-S219 PolarHBondContact O-N 3.46Å; S219-P221 VanDerWaalsContact C-CD 3.41Å; S219-P221 WeakPolarHBondContact O-CD 3.42Å
220H78.4Confident76.8Confident107 Ų10769.9 Ų69.950%0.49539%0.391SS..SBendtrans-123.367.5176.6-55.2-75.7000110.8T146 D147 E216T146-H220 WeakPolarHBondContact CG2-CE1 3.45Å; D147-H220 IonicContact OD2-CE1 2.89Å; E216-H220 PolarHBondContact O-N 2.99Å
221P80.3Confident77.8Confident35 Ų3570.2 Ų70.223%0.22738%0.383CS..  trans-73.2150.9176.333.2-34.1000110.4F104 A217 L218 S219 P223 L226F104-P221 HydrophobicContact CE1-CG 4.26Å; F104-P221 HydrophobicContact CZ-CG 4.15Å; A217-P221 WeakPolarHBondContact O-CA 3.29Å; L218-P221 WeakPolarHBondContact O-CD 3.45Å; S219-P221 VanDerWaalsContact C-CD 3.41Å; S219-P221 WeakPolarHBondContact O-CD 3.42Å; P221-P223 WeakPolarHBondContact O-CD 3.19Å; P221-L226 HydrophobicContact CB-CB 4.39Å; P221-L226 HydrophobicContact CG-CB 4.46Å; P221-L226 HydrophobicContact CG-CD2 3.86Å
222D79.2Confident78.7Confident82 Ų8267.1 Ų67.144%0.43937%0.367SS..  trans-58120168.6176.5-39.4000108.9V224 I225 L226D222-V224 VanDerWaalsContact C-N 3.28Å; D222-V224 PolarHBondContact O-N 3.24Å; D222-V224 WeakPolarHBondContact OD1-CA 3.11Å; D222-V224 WeakPolarHBondContact OD1-CB 3.34Å; D222-V224 PolarHBondContact OD1-N 3.01Å; D222-I225 HydrophobicContact CB-CB 4.04Å; D222-I225 HydrophobicContact CB-CD1 3.86Å; D222-I225 HydrophobicContact CB-CG1 3.94Å; D222-I225 PolarHBondContact O-N 3.09Å; D222-I225 PolarHBondContact OD1-N 2.91Å; D222-I225 VanDerWaalsContact OD1-N 3.11Å; D222-L226 WeakPolarHBondContact O-CB 3.38Å; D222-L226 PolarHBondContact O-N 3.32Å
223P77.4Confident80Confident43 Ų4364 Ų6428%0.27933%0.331SS..Hα-helixtrans-63.1-33.2-174.120.6-30.4000112.9P221 K227 F314P221-P223 WeakPolarHBondContact O-CD 3.19Å; P223-K227 WeakPolarHBondContact O-CB 3.25Å; P223-K227 PolarHBondContact O-N 3.14Å; P223-F314 HydrophobicContact CB-CB 3.85Å; P223-F314 HydrophobicContact CB-CD1 4.14Å; P223-F314 HydrophobicContact CB-CG 4.41Å
224V76.6Confident80.9Confident111 Ų11161.6 Ų61.667%0.67332%0.316SS*.Hα-helixtrans-71.2-42.1180-175.40000109.9D222 R228D222-V224 VanDerWaalsContact C-N 3.28Å; D222-V224 PolarHBondContact O-N 3.24Å; D222-V224 WeakPolarHBondContact OD1-CA 3.11Å; D222-V224 WeakPolarHBondContact OD1-CB 3.34Å; D222-V224 PolarHBondContact OD1-N 3.01Å; V224-R228 VanDerWaalsContact O-CB 3.25Å; V224-R228 WeakPolarHBondContact O-CB 3.5Å; V224-R228 PolarHBondContact O-N 3.3Å; V224-R228 VanDerWaalsContact O-N 3.07Å
225I79.9Confident81.7Confident85 Ų8557.9 Ų57.944%0.43630%0.302SS..Hα-helixtrans-66.6-47.7176-59.9178.5000110.3D222 K227 R228 D229D222-I225 HydrophobicContact CB-CB 4.04Å; D222-I225 HydrophobicContact CB-CD1 3.86Å; D222-I225 HydrophobicContact CB-CG1 3.94Å; D222-I225 PolarHBondContact O-N 3.09Å; D222-I225 PolarHBondContact OD1-N 2.91Å; D222-I225 VanDerWaalsContact OD1-N 3.11Å; I225-K227 PolarHBondContact O-N 3.31Å; I225-R228 PolarHBondContact O-N 2.94Å; I225-D229 WeakPolarHBondContact O-CB 3.27Å; I225-D229 VanDerWaalsContact O-CG 3.26Å; I225-D229 PolarHBondContact O-N 3.2Å
226L82.2Confident82.4Confident22 Ų2257.8 Ų57.812%0.11530%0.303CS..Hα-helixtrans-59.6-47.6179.5-176.471.6000111.8V88 F104 P221 D222 R228 D229 H230 F314V88-L226 HydrophobicContact CG1-CD1 4.26Å; V88-L226 HydrophobicContact CG2-CD1 4.4Å; F104-L226 HydrophobicContact CE2-CD1 4.31Å; F104-L226 HydrophobicContact CE2-CD2 3.75Å; F104-L226 HydrophobicContact CZ-CD1 4.32Å; F104-L226 HydrophobicContact CZ-CD2 3.8Å; P221-L226 HydrophobicContact CB-CB 4.39Å; P221-L226 HydrophobicContact CG-CB 4.46Å; P221-L226 HydrophobicContact CG-CD2 3.86Å; D222-L226 WeakPolarHBondContact O-CB 3.38Å; D222-L226 PolarHBondContact O-N 3.32Å; L226-R228 PolarHBondContact O-N 3.11Å; L226-D229 PolarHBondContact O-N 3.15Å; L226-H230 WeakPolarHBondContact O-CB 3.45Å; L226-H230 PolarHBondContact O-N 2.91Å; L226-F314 HydrophobicContact CD2-CE1 4.34Å
227K82.8Confident83.1Confident56 Ų5654.7 Ų54.724%0.24329%0.288CS..Hα-helixtrans-62.5-43.1179.8-168.4175.8-171.3178.20111.3P223 I225 Y231 D312 F314P223-K227 WeakPolarHBondContact O-CB 3.25Å; P223-K227 PolarHBondContact O-N 3.14Å; I225-K227 PolarHBondContact O-N 3.31Å; K227-Y231 HydrophobicContact CG-CE1 4.22Å; K227-Y231 HydrophobicContact CG-CE2 4.44Å; K227-Y231 WeakPolarHBondContact O-CB 3.3Å; K227-Y231 WeakPolarHBondContact O-CD1 3.49Å; K227-Y231 VanDerWaalsContact O-CG 3.31Å; K227-Y231 PolarHBondContact O-N 2.84Å; K227-D312 IonicContact NZ-OD1 3.48Å; K227-D312 PolarHBondContact NZ-OD1 2.92Å; K227-F314 HydrophobicContact CD-CD2 3.74Å; K227-F314 HydrophobicContact CD-CE2 3.93Å; K227-F314 HydrophobicContact CD-CG 4.37Å; K227-F314 HydrophobicContact CG-CD2 4.38Å; K227-F314 HydrophobicContact CG-CE2 4.1Å; K227-F314 HydrophobicContact CG-CZ 4.49Å
228R83.8Confident83.8Confident172 Ų17252 Ų5265%0.64927%0.265SS*.Hα-helixtrans-62-49.1175.3-172.8-159.975.5140.10.1112.1V224 I225 L226 Y231 A232V224-R228 VanDerWaalsContact O-CB 3.25Å; V224-R228 WeakPolarHBondContact O-CB 3.5Å; V224-R228 PolarHBondContact O-N 3.3Å; V224-R228 VanDerWaalsContact O-N 3.07Å; I225-R228 PolarHBondContact O-N 2.94Å; L226-R228 PolarHBondContact O-N 3.11Å; R228-Y231 PolarHBondContact O-N 3.2Å; R228-A232 WeakPolarHBondContact O-CB 3.43Å; R228-A232 PolarHBondContact O-N 2.63Å
229D83.7Confident84.2Confident73 Ų7352.6 Ų52.639%0.3927%0.269SS..Hα-helixtrans-71.4-36.3-174.4-70.211.6000111I225 L226 W233I225-D229 WeakPolarHBondContact O-CB 3.27Å; I225-D229 VanDerWaalsContact O-CG 3.26Å; I225-D229 PolarHBondContact O-N 3.2Å; L226-D229 PolarHBondContact O-N 3.15Å; D229-W233 WeakPolarHBondContact O-CB 3.44Å; D229-W233 PolarHBondContact O-N 2.67Å
230H90.5Very high84.6Confident3 Ų356.1 Ų56.11%0.01428%0.282CS..Hα-helixtrans-64.2-43.1170.9-17653.5000112.2L82 F87 V88 L226 W233 L234L82-H230 PolarHBondContact O-NE2 3.2Å; F87-H230 PolarHBondContact O-CE1 3.05Å; V88-H230 HydrophobicContact CG1-CB 4.06Å; V88-H230 HydrophobicContact CG2-CB 4.32Å; L226-H230 WeakPolarHBondContact O-CB 3.45Å; L226-H230 PolarHBondContact O-N 2.91Å; H230-W233 CarbonylContact O-C 3.59Å; H230-W233 WeakPolarHBondContact O-CB 3.2Å; H230-W233 PolarHBondContact O-N 3.22Å; H230-L234 WeakPolarHBondContact O-CG 3.37Å; H230-L234 PolarHBondContact O-N 3.08Å
231Y90.4Very high84.9Confident73 Ų7351.8 Ų51.829%0.28626%0.263SS..Hα-helixtrans-68.4-37.9178.2-74.814.8000111.9L83 K227 R228 W233 L234 Q235 F266L83-Y231 HydrophobicContact CD2-CE1 4.05Å; K227-Y231 HydrophobicContact CG-CE1 4.22Å; K227-Y231 HydrophobicContact CG-CE2 4.44Å; K227-Y231 WeakPolarHBondContact O-CB 3.3Å; K227-Y231 WeakPolarHBondContact O-CD1 3.49Å; K227-Y231 VanDerWaalsContact O-CG 3.31Å; K227-Y231 PolarHBondContact O-N 2.84Å; R228-Y231 PolarHBondContact O-N 3.2Å; Y231-W233 VanDerWaalsContact C-N 3.31Å; Y231-W233 PolarHBondContact O-N 2.78Å; Y231-L234 HydrophobicContact CD1-CD1 4.36Å; Y231-L234 PolarHBondContact O-N 3.08Å; Y231-Q235 PolarHBondContact O-N 3.07Å; Y231-F266 HydrophobicContact CD1-CE1 4.11Å; Y231-F266 AromaticContact CD2-CD1 3.79Å; Y231-F266 HydrophobicContact CD2-CD1 3.79Å; Y231-F266 AromaticContact CD2-CE1 3.95Å; Y231-F266 HydrophobicContact CD2-CE1 3.95Å; Y231-F266 HydrophobicContact CE2-CD1 4.16Å; Y231-F266 HydrophobicContact CG-CD1 4.01Å; Y231-F266 AromaticContact CG-CE1 3.68Å; Y231-F266 HydrophobicContact CG-CE1 3.68Å; Y231-F266 WeakPolarHBondContact O-CZ 3.49Å
232A85.9Confident85Confident49 Ų4952.6 Ų52.641%0.40528%0.277SS..Hα-helixtrans-63.4-36.8171.300000112.2R228 T236R228-A232 WeakPolarHBondContact O-CB 3.43Å; R228-A232 PolarHBondContact O-N 2.63Å; A232-T236 WeakPolarHBondContact O-CB 3.21Å; A232-T236 PolarHBondContact O-N 3.28Å; A232-T236 VanDerWaalsContact O-N 3.08Å; A232-T236 PolarHBondContact O-OG1 3.09Å
233W90.2Very high85.2Confident11 Ų1149.8 Ų49.84%0.04226%0.261CS..Hα-helixtrans-64-46.7170.1166.3-110.5000112.2I89 D92 Q124 A127 A128 D229 H230 Y231 Q235 T236 A237I89-W233 HydrophobicContact CB-CD2 3.92Å; I89-W233 HydrophobicContact CB-CG 4.2Å; I89-W233 HydrophobicContact CB-CZ2 3.99Å; I89-W233 HydrophobicContact CG1-CD2 4.41Å; I89-W233 HydrophobicContact CG1-CZ2 3.71Å; I89-W233 HydrophobicContact CG2-CD2 4.37Å; I89-W233 HydrophobicContact CG2-CH2 4.46Å; I89-W233 HydrophobicContact CG2-CZ2 4.22Å; D92-W233 HydrophobicContact CB-CE3 4.08Å; D92-W233 HydrophobicContact CB-CZ3 4.08Å; Q124-W233 VanDerWaalsContact OE1-CD1 3.3Å; A127-W233 HydrophobicContact CB-CH2 4.16Å; A127-W233 HydrophobicContact CB-CZ2 4.02Å; A128-W233 HydrophobicContact CB-CH2 4.02Å; A128-W233 HydrophobicContact CB-CZ2 4.2Å; D229-W233 WeakPolarHBondContact O-CB 3.44Å; D229-W233 PolarHBondContact O-N 2.67Å; H230-W233 CarbonylContact O-C 3.59Å; H230-W233 WeakPolarHBondContact O-CB 3.2Å; H230-W233 PolarHBondContact O-N 3.22Å; Y231-W233 VanDerWaalsContact C-N 3.31Å; Y231-W233 PolarHBondContact O-N 2.78Å; W233-Q235 PolarHBondContact O-N 3.3Å; W233-T236 HydrophobicContact CE3-CG2 4.43Å; W233-T236 HydrophobicContact CZ3-CG2 4.31Å; W233-T236 CarbonylContact O-C 3.59Å; W233-T236 WeakPolarHBondContact O-CA 3.25Å; W233-T236 VanDerWaalsContact O-CB 3.31Å; W233-T236 WeakPolarHBondContact O-CB 3.41Å; W233-T236 PolarHBondContact O-N 3.43Å; W233-T236 VanDerWaalsContact O-N 3.1Å; W233-A237 HydrophobicContact CZ2-CB 4.13Å; W233-A237 WeakPolarHBondContact O-CB 3.47Å; W233-A237 PolarHBondContact O-N 2.83Å
234L91.8Very high85.1Confident0 Ų048.1 Ų48.10%025%0.25CC..Hα-helixtrans-61-42177.9-72.1178.7000112.3L82 L83 Q124 H230 Y231 T236 A237 L238 F265 F266L82-L234 HydrophobicContact CB-CD1 4.34Å; L82-L234 HydrophobicContact CB-CD2 4.21Å; L82-L234 HydrophobicContact CD2-CD2 3.83Å; L83-L234 HydrophobicContact CD2-CD1 4.29Å; Q124-L234 HydrophobicContact CG-CD2 4.17Å; H230-L234 WeakPolarHBondContact O-CG 3.37Å; H230-L234 PolarHBondContact O-N 3.08Å; Y231-L234 HydrophobicContact CD1-CD1 4.36Å; Y231-L234 PolarHBondContact O-N 3.08Å; L234-T236 VanDerWaalsContact C-N 3.31Å; L234-T236 PolarHBondContact O-N 3.21Å; L234-A237 WeakPolarHBondContact O-CB 3.23Å; L234-A237 PolarHBondContact O-N 2.85Å; L234-A237 VanDerWaalsContact O-N 3.16Å; L234-L238 WeakPolarHBondContact O-CG 3.24Å; L234-L238 PolarHBondContact O-N 2.75Å; L234-F265 HydrophobicContact CD1-CE1 4.25Å; L234-F266 HydrophobicContact CB-CE1 4.19Å; L234-F266 HydrophobicContact CB-CZ 3.84Å; L234-F266 HydrophobicContact CD1-CE1 4.23Å
235Q87.2Confident84.5Confident77 Ų7746.1 Ų46.136%0.3624%0.235SC..Hα-helixtrans-60-43.1172.8-174.4-179.3-0.700111.4Y231 W233 A237 L239 F266Y231-Q235 PolarHBondContact O-N 3.07Å; W233-Q235 PolarHBondContact O-N 3.3Å; Q235-A237 VanDerWaalsContact C-N 3.32Å; Q235-A237 PolarHBondContact O-N 3.5Å; Q235-L239 HydrophobicContact CG-CD1 4.36Å; Q235-L239 WeakPolarHBondContact O-CB 3.46Å; Q235-L239 WeakPolarHBondContact O-CG 3.4Å; Q235-L239 PolarHBondContact O-N 3.15Å; Q235-L239 VanDerWaalsContact O-N 3.08Å; Q235-F266 HydrophobicContact CB-CE2 4.31Å; Q235-F266 HydrophobicContact CB-CZ 4.42Å
236T87.3Confident83.6Confident39 Ų3945.1 Ų45.124%0.23923%0.232CC..Hα-helixtrans-63.6-36.7174.8-59.60000112.1A232 W233 L234 R240A232-T236 WeakPolarHBondContact O-CB 3.21Å; A232-T236 PolarHBondContact O-N 3.28Å; A232-T236 VanDerWaalsContact O-N 3.08Å; A232-T236 PolarHBondContact O-OG1 3.09Å; W233-T236 HydrophobicContact CE3-CG2 4.43Å; W233-T236 HydrophobicContact CZ3-CG2 4.31Å; W233-T236 CarbonylContact O-C 3.59Å; W233-T236 WeakPolarHBondContact O-CA 3.25Å; W233-T236 VanDerWaalsContact O-CB 3.31Å; W233-T236 WeakPolarHBondContact O-CB 3.41Å; W233-T236 PolarHBondContact O-N 3.43Å; W233-T236 VanDerWaalsContact O-N 3.1Å; L234-T236 VanDerWaalsContact C-N 3.31Å; L234-T236 PolarHBondContact O-N 3.21Å; T236-R240 VanDerWaalsContact CG2-NH2 3.33Å; T236-R240 WeakPolarHBondContact O-CB 3.13Å; T236-R240 WeakPolarHBondContact O-CG 3.26Å; T236-R240 PolarHBondContact O-N 2.97Å
237A89.9Confident82.4Confident0 Ų051.8 Ų51.80%026%0.263CS..Hα-helixtrans-69.2-47178.700000111.8F123 A127 W233 L234 Q235 L239 R240 T241F123-A237 HydrophobicContact CE1-CB 3.95Å; F123-A237 HydrophobicContact CZ-CB 4.42Å; A127-A237 HydrophobicContact CB-CB 3.5Å; W233-A237 HydrophobicContact CZ2-CB 4.13Å; W233-A237 WeakPolarHBondContact O-CB 3.47Å; W233-A237 PolarHBondContact O-N 2.83Å; L234-A237 WeakPolarHBondContact O-CB 3.23Å; L234-A237 PolarHBondContact O-N 2.85Å; L234-A237 VanDerWaalsContact O-N 3.16Å; Q235-A237 VanDerWaalsContact C-N 3.32Å; Q235-A237 PolarHBondContact O-N 3.5Å; A237-L239 PolarHBondContact O-N 2.8Å; A237-R240 PolarHBondContact O-N 2.89Å; A237-T241 WeakPolarHBondContact O-CB 3.44Å; A237-T241 WeakPolarHBondContact O-CG2 3.45Å; A237-T241 PolarHBondContact O-N 3.5Å; A237-T241 PolarHBondContact O-OG1 3.1Å
238L89.5Confident81.2Confident1 Ų152.9 Ų52.91%0.00528%0.283CS..Hα-helixtrans-58.4-44.9175-69.9161.1000111.6P73 F74 F123 L234 T241 G242 W243 L244 F265P73-L238 HydrophobicContact CB-CD2 3.95Å; P73-L238 HydrophobicContact CG-CD2 3.62Å; F74-L238 HydrophobicContact CE2-CD2 4.4Å; F123-L238 HydrophobicContact CE1-CD2 4.45Å; F123-L238 HydrophobicContact CZ-CD2 3.84Å; F123-L238 HydrophobicContact CZ-CG 4.2Å; L234-L238 WeakPolarHBondContact O-CG 3.24Å; L234-L238 PolarHBondContact O-N 2.75Å; L238-T241 WeakPolarHBondContact CA-OG1 3.46Å; L238-T241 PolarHBondContact O-N 3.35Å; L238-T241 PolarHBondContact O-OG1 2.99Å; L238-G242 PolarHBondContact O-N 2.92Å; L238-W243 HydrophobicContact CD2-CB 3.78Å; L238-W243 PolarHBondContact O-N 3.08Å; L238-L244 HydrophobicContact CB-CB 3.92Å; L238-L244 PolarHBondContact O-N 3.47Å; L238-F265 HydrophobicContact CD1-CB 4.38Å; L238-F265 HydrophobicContact CD1-CD1 3.87Å; L238-F265 HydrophobicContact CD1-CD2 3.91Å; L238-F265 HydrophobicContact CD1-CE1 4.12Å; L238-F265 HydrophobicContact CD1-CE2 4.15Å; L238-F265 HydrophobicContact CD1-CG 3.76Å; L238-F265 HydrophobicContact CD1-CZ 4.26Å; L238-F265 HydrophobicContact CD2-CD2 4.19Å; L238-F265 HydrophobicContact CD2-CE2 4.17Å
239L85.4Confident80.1Confident65 Ų6549.2 Ų49.234%0.3427%0.273SS..Hα-helixtrans-59.3-49.4173.7-79.3164000112.3Q235 A237 T241 G242 L244 T246Q235-L239 HydrophobicContact CG-CD1 4.36Å; Q235-L239 WeakPolarHBondContact O-CB 3.46Å; Q235-L239 WeakPolarHBondContact O-CG 3.4Å; Q235-L239 PolarHBondContact O-N 3.15Å; Q235-L239 VanDerWaalsContact O-N 3.08Å; A237-L239 PolarHBondContact O-N 2.8Å; L239-T241 VanDerWaalsContact C-N 3.32Å; L239-T241 PolarHBondContact O-N 3.09Å; L239-G242 PolarHBondContact O-N 2.88Å; L239-L244 HydrophobicContact CD2-CB 4.37Å; L239-L244 HydrophobicContact CD2-CD2 3.87Å; L239-L244 HydrophobicContact CG-CB 4.35Å; L239-L244 HydrophobicContact CG-CD2 3.94Å; L239-T246 HydrophobicContact CD2-CG2 4.26Å
240R85Confident78.8Confident74 Ų7448.6 Ų48.628%0.27927%0.268SS..Hα-helixtrans-68.9-28.7-178.2-75.9179-173158.212114.2D92 R130 T236 A237D92-R240 IonicContact OD1-NH1 3.27Å; D92-R240 PolarHBondContact OD1-NH1 2.69Å; D92-R240 IonicContact OD2-CZ 3.5Å; D92-R240 IonicContact OD2-NH1 2.75Å; D92-R240 PolarHBondContact OD2-NH1 2.92Å; D92-R240 IonicContact OD2-NH2 2.87Å; D92-R240 PolarHBondContact OD2-NH2 2.65Å; R130-R240 WeakPolarHBondContact CD-O 3.42Å; R130-R240 PolarHBondContact NH1-O 2.89Å; T236-R240 VanDerWaalsContact CG2-NH2 3.33Å; T236-R240 WeakPolarHBondContact O-CB 3.13Å; T236-R240 WeakPolarHBondContact O-CG 3.26Å; T236-R240 PolarHBondContact O-N 2.97Å; A237-R240 PolarHBondContact O-N 2.89Å
241T84.6Confident77.2Confident17 Ų1752.8 Ų52.810%0.10430%0.302CS..Hα-helixtrans-85.6-15.1178.350.40000112.5F123 A127 A237 L238 L239F123-T241 HydrophobicContact CE2-CG2 3.96Å; F123-T241 WeakPolarHBondContact CE2-OG1 3.48Å; F123-T241 HydrophobicContact CZ-CG2 4.34Å; F123-T241 WeakPolarHBondContact CZ-OG1 3.34Å; A127-T241 HydrophobicContact CB-CG2 3.89Å; A237-T241 WeakPolarHBondContact O-CB 3.44Å; A237-T241 WeakPolarHBondContact O-CG2 3.45Å; A237-T241 PolarHBondContact O-N 3.5Å; A237-T241 PolarHBondContact O-OG1 3.1Å; L238-T241 WeakPolarHBondContact CA-OG1 3.46Å; L238-T241 PolarHBondContact O-N 3.35Å; L238-T241 PolarHBondContact O-OG1 2.99Å; L239-T241 VanDerWaalsContact C-N 3.32Å; L239-T241 PolarHBondContact O-N 3.09Å
242G81.7Confident75.5Confident51 Ų5153.2 Ų53.253%0.52632%0.321SS..THydrogen-bonded Turntrans89.710.4178.600000114.3L238 L239L238-G242 PolarHBondContact O-N 2.92Å; L239-G242 PolarHBondContact O-N 2.88Å
243W83.1Confident73.9Confident23 Ų2355 Ų559%0.08732%0.324CS..SBendtrans-85.6-10.6176.4-73.699.2000113.6R70 V71 D72 P73 F74 F123 L238R70-W243 HydrophobicContact CG-CZ2 4.49Å; R70-W243 VanDerWaalsContact NE-CZ2 3.28Å; V71-W243 WeakPolarHBondContact O-CZ2 3.47Å; D72-W243 HydrophobicContact CB-CH2 3.75Å; D72-W243 HydrophobicContact CB-CZ2 4.25Å; D72-W243 HydrophobicContact CB-CZ3 4.5Å; D72-W243 WeakPolarHBondContact OD1-CH2 3.32Å; D72-W243 WeakPolarHBondContact OD1-CZ3 3.47Å; D72-W243 WeakPolarHBondContact OD2-CH2 3.46Å; D72-W243 WeakPolarHBondContact OD2-CZ3 3.36Å; P73-W243 VanDerWaalsContact CD-CD2 3.49Å; P73-W243 HydrophobicContact CG-CB 4.1Å; P73-W243 HydrophobicContact CG-CD2 3.74Å; P73-W243 HydrophobicContact CG-CE3 4.19Å; P73-W243 HydrophobicContact CG-CG 3.71Å; F74-W243 AromaticContact CD2-CE3 3.84Å; F74-W243 HydrophobicContact CD2-CE3 3.84Å; F74-W243 HydrophobicContact CD2-CZ3 4.27Å; F74-W243 HydrophobicContact CE2-CB 4.21Å; F74-W243 HydrophobicContact CE2-CE3 4.02Å; F123-W243 AromaticContact CE2-CD1 3.75Å; L238-W243 HydrophobicContact CD2-CB 3.78Å; L238-W243 PolarHBondContact O-N 3.08Å
244L76Confident71.9Confident9 Ų958.3 Ų58.35%0.04735%0.347CS..SBendtrans-127.2131.4164.8-161.798.5000108.8L238 L239 V262L238-L244 HydrophobicContact CB-CB 3.92Å; L238-L244 PolarHBondContact O-N 3.47Å; L239-L244 HydrophobicContact CD2-CB 4.37Å; L239-L244 HydrophobicContact CD2-CD2 3.87Å; L239-L244 HydrophobicContact CG-CB 4.35Å; L239-L244 HydrophobicContact CG-CD2 3.94Å; L244-V262 HydrophobicContact CD1-CG2 3.69Å; L244-V262 HydrophobicContact CD2-CG2 3.6Å; L244-V262 HydrophobicContact CG-CG2 4.29Å
245L64.2Low69.9Low68 Ų6864 Ų6436%0.35638%0.376SS..  trans-74.7150.6171.9-68.3173.2000110.7E249 Q250 L253L245-E249 HydrophobicContact CB-CB 3.95Å; L245-E249 HydrophobicContact CD2-CB 4.22Å; L245-E249 HydrophobicContact CG-CB 4.48Å; L245-Q250 HydrophobicContact CB-CG 3.78Å; L245-Q250 PolarHBondContact O-NE2 3.02Å; L245-L253 HydrophobicContact CD1-CD1 3.35Å
246T60.5Low68Low64 Ų6467.1 Ų67.139%0.39340%0.395SS..  trans-66.3160172.263.70000111.2L239 A248 E249 Q250L239-T246 HydrophobicContact CD2-CG2 4.26Å; T246-A248 PolarHBondContact O-N 3.44Å; T246-E249 VanDerWaalsContact CB-OE2 3.31Å; T246-E249 WeakPolarHBondContact CB-OE2 3.47Å; T246-E249 WeakPolarHBondContact CG2-OE2 3.48Å; T246-E249 PolarHBondContact N-OE2 3.45Å; T246-E249 PolarHBondContact O-N 2.92Å; T246-E249 VanDerWaalsContact OG1-CD 3.29Å; T246-E249 WeakPolarHBondContact OG1-CG 3.21Å; T246-E249 PolarHBondContact OG1-N 2.93Å; T246-E249 PolarHBondContact OG1-OE2 2.96Å; T246-Q250 WeakPolarHBondContact O-CG 3.22Å; T246-Q250 PolarHBondContact O-N 3.27Å
247E58Low66.1Low162 Ų16271.9 Ų71.976%0.75741%0.414SS*.Hα-helixtrans-56.7-35178.8-62.3-177.6157.600112.6A251E247-A251 WeakPolarHBondContact O-CB 3.43Å; E247-A251 PolarHBondContact O-N 2.71Å
248A57.1Low64.2Low79 Ų7979.3 Ų79.365%0.65344%0.442SS*.Hα-helixtrans-67-33.9175.900000113.1T246T246-A248 PolarHBondContact O-N 3.44Å
249E60.9Low62.3Low95 Ų9585.9 Ų85.944%0.44448%0.477SS..Hα-helixtrans-79.9-39176.1-69.5161.5135.300111.4L245 T246 A251 A252L245-E249 HydrophobicContact CB-CB 3.95Å; L245-E249 HydrophobicContact CD2-CB 4.22Å; L245-E249 HydrophobicContact CG-CB 4.48Å; T246-E249 VanDerWaalsContact CB-OE2 3.31Å; T246-E249 WeakPolarHBondContact CB-OE2 3.47Å; T246-E249 WeakPolarHBondContact CG2-OE2 3.48Å; T246-E249 PolarHBondContact N-OE2 3.45Å; T246-E249 PolarHBondContact O-N 2.92Å; T246-E249 VanDerWaalsContact OG1-CD 3.29Å; T246-E249 WeakPolarHBondContact OG1-CG 3.21Å; T246-E249 PolarHBondContact OG1-N 2.93Å; T246-E249 PolarHBondContact OG1-OE2 2.96Å; E249-A251 VanDerWaalsContact C-N 3.26Å; E249-A251 PolarHBondContact O-N 3.36Å; E249-A252 PolarHBondContact O-N 2.92Å
250Q56Low61.1Low61 Ų6187.5 Ų87.529%0.28548%0.483SS..Hα-helixtrans-63.5-31.3173.9-68.3-174.143.300112.5L245 T246 A252L245-Q250 HydrophobicContact CB-CG 3.78Å; L245-Q250 PolarHBondContact O-NE2 3.02Å; T246-Q250 WeakPolarHBondContact O-CG 3.22Å; T246-Q250 PolarHBondContact O-N 3.27Å; Q250-A252 PolarHBondContact O-N 3.46Å
251A55.6Low60.1Low90 Ų9085.8 Ų85.874%0.74448%0.481SS*.THydrogen-bonded Turntrans-72.1-12.7173.900000114E247 E249E247-A251 WeakPolarHBondContact O-CB 3.43Å; E247-A251 PolarHBondContact O-N 2.71Å; E249-A251 VanDerWaalsContact C-N 3.26Å; E249-A251 PolarHBondContact O-N 3.36Å
252A56.7Low59.1Low82 Ų8287.2 Ų87.268%0.67849%0.489SS*.THydrogen-bonded Turntrans-102.4-3.9-176.100000114.3E249 Q250E249-A252 PolarHBondContact O-N 2.92Å; Q250-A252 PolarHBondContact O-N 3.46Å
253L50.8Low58.3Low88 Ų8887.5 Ų87.546%0.46149%0.492SS..SBendtrans-103.5150.1-175.5-73.4176.2000113.8L245L245-L253 HydrophobicContact CD1-CD1 3.35Å
254P48Very low57.7Low80 Ų8088.6 Ų88.652%0.51951%0.506SS..  trans-56.8148.6167.9-23.834.6000112.7D256 H257P254-D256 PolarHBondContact O-N 3.39Å; P254-H257 PolarHBondContact O-N 2.74Å
255I51.6Low58.1Low120 Ų12088.2 Ų88.262%0.61550%0.504SS*.G310 helixtrans-60.3-32-172-63.4173.5000112.3H257 R258I255-H257 PolarHBondContact O-N 3.23Å; I255-H257 VanDerWaalsContact O-N 3.16Å; I255-R258 WeakPolarHBondContact O-CD 3.49Å; I255-R258 VanDerWaalsContact O-CG 3.32Å; I255-R258 WeakPolarHBondContact O-CG 3.5Å; I255-R258 PolarHBondContact O-N 3.28Å
256D47.3Very low59.1Low141 Ų14187.5 Ų87.575%0.75450%0.498SS*.G310 helixtrans-75.71.5-172.1-52.2-46.5000114.8P254P254-D256 PolarHBondContact O-N 3.39Å
257H47.2Very low59.4Low140 Ų14085.4 Ų85.465%0.64849%0.489SS*.G310 helixtrans-105.316.3177-66.4-38.1000114.2P254 I255 N259P254-H257 PolarHBondContact O-N 2.74Å; I255-H257 PolarHBondContact O-N 3.23Å; I255-H257 VanDerWaalsContact O-N 3.16Å; H257-N259 VanDerWaalsContact C-N 3.26Å; H257-N259 PolarHBondContact O-N 3.22Å; H257-N259 VanDerWaalsContact O-N 3.09Å
258R48.4Very low59.2Low156 Ų15683.3 Ų83.359%0.58949%0.49SS*.THydrogen-bonded Turntrans-76.314.6-172-81.9178.5164.7-173.8-5.8117.3I255 Q260 T261I255-R258 WeakPolarHBondContact O-CD 3.49Å; I255-R258 VanDerWaalsContact O-CG 3.32Å; I255-R258 WeakPolarHBondContact O-CG 3.5Å; I255-R258 PolarHBondContact O-N 3.28Å; R258-Q260 VanDerWaalsContact C-N 3.29Å; R258-Q260 PolarHBondContact O-N 2.89Å; R258-T261 HydrophobicContact CB-CG2 4.16Å; R258-T261 HydrophobicContact CG-CG2 4.33Å; R258-T261 WeakPolarHBondContact O-CG2 3.33Å; R258-T261 PolarHBondContact O-OG1 3.21Å; R258-T261 VanDerWaalsContact O-OG1 3.07Å
259N50.1Low58.9Low139 Ų13983.6 Ų83.674%0.74349%0.485SS*.THydrogen-bonded Turntrans-70.7-19.3-175.1-67.46.3000114.1H257H257-N259 VanDerWaalsContact C-N 3.26Å; H257-N259 PolarHBondContact O-N 3.22Å; H257-N259 VanDerWaalsContact O-N 3.09Å
260Q61Low58.2Low99 Ų9984.7 Ų84.746%0.46350%0.503SS..SBendtrans-107.360175.8-68.6-179.5-900111.4F74 R258F74-Q260 HydrophobicContact CE2-CB 4.3Å; F74-Q260 HydrophobicContact CE2-CG 3.97Å; F74-Q260 HydrophobicContact CZ-CB 4Å; F74-Q260 HydrophobicContact CZ-CG 4.04Å; R258-Q260 VanDerWaalsContact C-N 3.29Å; R258-Q260 PolarHBondContact O-N 2.89Å
261T63.2Low57.3Low37 Ų3789.8 Ų89.823%0.22753%0.527CS..  trans-105.1159.5177.646.80000112.1R258 G263 A264 F265R258-T261 HydrophobicContact CB-CG2 4.16Å; R258-T261 HydrophobicContact CG-CG2 4.33Å; R258-T261 WeakPolarHBondContact O-CG2 3.33Å; R258-T261 PolarHBondContact O-OG1 3.21Å; R258-T261 VanDerWaalsContact O-OG1 3.07Å; T261-G263 PolarHBondContact O-N 2.98Å; T261-A264 WeakPolarHBondContact O-CB 3.13Å; T261-A264 PolarHBondContact O-N 3.44Å; T261-F265 PolarHBondContact O-N 3.02Å; T261-F265 VanDerWaalsContact O-N 3.14Å
262V64.1Low56.3Low48 Ų4891.2 Ų91.229%0.29153%0.531SS..Hα-helixtrans-55.6-42.2176.2-1760000110.5L244 A264 F265 F266L244-V262 HydrophobicContact CD1-CG2 3.69Å; L244-V262 HydrophobicContact CD2-CG2 3.6Å; L244-V262 HydrophobicContact CG-CG2 4.29Å; V262-A264 VanDerWaalsContact C-N 3.33Å; V262-A264 PolarHBondContact O-N 2.76Å; V262-F265 PolarHBondContact O-N 2.92Å; V262-F266 HydrophobicContact CG1-CD2 3.65Å; V262-F266 HydrophobicContact CG1-CE2 4Å; V262-F266 WeakPolarHBondContact O-CD2 3.42Å; V262-F266 PolarHBondContact O-N 3Å
263G65Low54.9Low57 Ų5794.2 Ų94.259%0.58854%0.541SS*.Hα-helixtrans-65-30.2176.700000114.3T261 G267T261-G263 PolarHBondContact O-N 2.98Å; G263-G267 VanDerWaalsContact O-CA 3.25Å; G263-G267 WeakPolarHBondContact O-CA 3.34Å; G263-G267 PolarHBondContact O-N 3.4Å
264A71.2Confident53.9Low46 Ų4693.5 Ų93.538%0.3856%0.555SS.*Hα-helixtrans-74.1-37.1174.800000112.2T261 V262T261-A264 WeakPolarHBondContact O-CB 3.13Å; T261-A264 PolarHBondContact O-N 3.44Å; V262-A264 VanDerWaalsContact C-N 3.33Å; V262-A264 PolarHBondContact O-N 2.76Å
265F84Confident53.2Low0 Ų094.8 Ų94.80%057%0.566CS.*Hα-helixtrans-72.3-51.7178.8-175-89.2000112.5P73 F74 R79 L82 L83 L234 L238 T261 V262P73-F265 HydrophobicContact CB-CE2 4.12Å; P73-F265 WeakPolarHBondContact O-CE2 3.5Å; F74-F265 HydrophobicContact CD1-CB 4.48Å; F74-F265 HydrophobicContact CD1-CD2 4.07Å; F74-F265 HydrophobicContact CE1-CB 3.82Å; F74-F265 AromaticContact CE1-CD2 3.98Å; F74-F265 HydrophobicContact CE1-CD2 3.98Å; F74-F265 HydrophobicContact CE1-CG 4.41Å; F74-F265 HydrophobicContact CZ-CB 4.41Å; F74-F265 HydrophobicContact CZ-CD2 4.36Å; R79-F265 HydrophobicContact CG-CD2 4.19Å; R79-F265 HydrophobicContact CG-CE2 3.92Å; R79-F265 HydrophobicContact CG-CZ 4.23Å; R79-F265 PolarHBondContact NH1-O 3.08Å; L82-F265 HydrophobicContact CB-CZ 4.18Å; L82-F265 HydrophobicContact CD1-CE2 4.14Å; L82-F265 HydrophobicContact CD1-CZ 3.87Å; L83-F265 HydrophobicContact CD2-CD1 4.35Å; L83-F265 HydrophobicContact CD2-CE1 3.81Å; L83-F265 HydrophobicContact CG-CE1 4.25Å; L234-F265 HydrophobicContact CD1-CE1 4.25Å; L238-F265 HydrophobicContact CD1-CB 4.38Å; L238-F265 HydrophobicContact CD1-CD1 3.87Å; L238-F265 HydrophobicContact CD1-CD2 3.91Å; L238-F265 HydrophobicContact CD1-CE1 4.12Å; L238-F265 HydrophobicContact CD1-CE2 4.15Å; L238-F265 HydrophobicContact CD1-CG 3.76Å; L238-F265 HydrophobicContact CD1-CZ 4.26Å; L238-F265 HydrophobicContact CD2-CD2 4.19Å; L238-F265 HydrophobicContact CD2-CE2 4.17Å; T261-F265 PolarHBondContact O-N 3.02Å; T261-F265 VanDerWaalsContact O-N 3.14Å; V262-F265 PolarHBondContact O-N 2.92Å
266F83.9Confident52.1Low54 Ų5497 Ų9724%0.23758%0.579CS.*Hα-helixtrans-87.9-1.7-176.3-66.2-79.7000114L83 Y231 L234 Q235 V262L83-F266 HydrophobicContact CD2-CD1 3.54Å; L83-F266 HydrophobicContact CD2-CE1 3.84Å; Y231-F266 HydrophobicContact CD1-CE1 4.11Å; Y231-F266 AromaticContact CD2-CD1 3.79Å; Y231-F266 HydrophobicContact CD2-CD1 3.79Å; Y231-F266 AromaticContact CD2-CE1 3.95Å; Y231-F266 HydrophobicContact CD2-CE1 3.95Å; Y231-F266 HydrophobicContact CE2-CD1 4.16Å; Y231-F266 HydrophobicContact CG-CD1 4.01Å; Y231-F266 AromaticContact CG-CE1 3.68Å; Y231-F266 HydrophobicContact CG-CE1 3.68Å; Y231-F266 WeakPolarHBondContact O-CZ 3.49Å; L234-F266 HydrophobicContact CB-CE1 4.19Å; L234-F266 HydrophobicContact CB-CZ 3.84Å; L234-F266 HydrophobicContact CD1-CE1 4.23Å; Q235-F266 HydrophobicContact CB-CE2 4.31Å; Q235-F266 HydrophobicContact CB-CZ 4.42Å; V262-F266 HydrophobicContact CG1-CD2 3.65Å; V262-F266 HydrophobicContact CG1-CE2 4Å; V262-F266 WeakPolarHBondContact O-CD2 3.42Å; V262-F266 PolarHBondContact O-N 3Å
267G67.2Low51.3Low19 Ų1995.5 Ų95.520%0.19658%0.579CS.*SBendtrans-78.8171.4-179.900000114.4R79 G263R79-G267 PolarHBondContact NH1-O 3.33Å; G263-G267 VanDerWaalsContact O-CA 3.25Å; G263-G267 WeakPolarHBondContact O-CA 3.34Å; G263-G267 PolarHBondContact O-N 3.4Å
268P54.5Low50.6Low118 Ų11896 Ų9677%0.76659%0.586SS**PPolyproline II helixtrans-60.4152.6165.429.6-35.1000110.2
269P50.8Low49.8Very low85 Ų8593.4 Ų93.455%0.55259%0.592SS**PPolyproline II helixtrans-59.1140.5174.527.6-34.6000110.3E271P269-E271 PolarHBondContact O-N 3.45Å; P269-E271 VanDerWaalsContact O-N 3.08Å
270S46Very low48.9Very low119 Ų11991.2 Ų91.283%0.83259%0.588SS**  trans-75.797.7-178.756.50000111.1S272S270-S272 PolarHBondContact O-N 3.23Å
271E37.7Very low47.6Very low167 Ų16793.6 Ų93.678%0.7860%0.604SS**  trans-58126.6169.4-67.8-173.7160.600110.6P269 T273P269-E271 PolarHBondContact O-N 3.45Å; P269-E271 VanDerWaalsContact O-N 3.08Å; E271-T273 PolarHBondContact O-N 2.99Å
272S33.7Very low46.1Very low120 Ų12096.2 Ų96.284%0.83962%0.623SS**  trans-77.890.6-174.955.70000111.4S270 G274S270-S272 PolarHBondContact O-N 3.23Å; S272-G274 PolarHBondContact O-N 2.81Å
273T28Very low44.7Very low145 Ų145102 Ų10289%0.8965%0.648SS**  trans-72.364.3171.7470000112E271E271-T273 PolarHBondContact O-N 2.99Å
274G30.2Very low43.2Very low73 Ų73108.7 Ų108.775%0.75366%0.661SS**  trans-83.9125.1173.600000111.8S272S272-G274 PolarHBondContact O-N 2.81Å
275S31.5Very low41.4Very low107 Ų107115.8 Ų115.875%0.74868%0.678SS**  trans-90.6137-173.458.70000114.4
276L28.9Very low39.2Very low168 Ų168123.1 Ų123.188%0.8871%0.712SS**  trans42.7104.2140.4-65.6165.3000118.9
277S31.1Very low36.8Very low109 Ų109126.2 Ų126.276%0.76273%0.731SS**  178139.1116.758.40000114.1
278D33Very low35.5Very low149 Ų149132.3 Ų132.380%0.79776%0.759SS**  trans53.1103148.3-68.1-18.7000122.5
279S30.8Very low34.4Very low102 Ų102132.6 Ų132.671%0.71375%0.754SS**  84128.3112.974.30000123
280S31.6Very low33.6Very low93 Ų93134 Ų13465%0.6577%0.765SS**  trans80135.7136.350.50000121.7
281D33.7Very low32.7Very low150 Ų150135.9 Ų135.980%0.80276%0.758SS**  trans69.9139.4153.8-52.2-15.6000119.5
282S32.1Very low32.3Very low91 Ų91132 Ų13264%0.63675%0.749SS**  cis-168.2141.3-19.851.60000110
283E33.4Very low32Very low171 Ų171132.4 Ų132.480%0.79974%0.742SS**  trans48.7123.1146-60.8175.9158.100120.3
284F34.6Very low32Very low196 Ų196132.6 Ų132.686%0.8674%0.738SS**  -152.3149.597.4-122.3-91.8000111.3
285R33.6Very low31.9Very low196 Ų196137.1 Ų137.174%0.7474%0.739SS**  trans-105.1-164.3175.9-58.616994.81092.2107.3
286E37.4Very low31.6Very low153 Ų153138.4 Ų138.472%0.71574%0.737SS**  cis-148.613522.4-68.7-179.7151.300106.1
287D33.9Very low31.6Very low119 Ų119137.3 Ų137.364%0.63673%0.732SS**  75.8156.995.6-48.2-29.2000111.5
288D38.4Very low31.5Very low147 Ų147139.6 Ų139.679%0.78674%0.736SS**  cis-127.9147.79-72.7-65.6000108.9
289D32.1Very low31.4Very low124 Ų124138.1 Ų138.166%0.66373%0.732SS**  cis85116.849.5-15729.7000115.1F291D289-F291 WeakPolarHBondContact OD1-CE2 3.3Å; D289-F291 WeakPolarHBondContact OD2-CE2 3.31Å
290C33.5Very low31.2Very low116 Ų116139 Ų13978%0.78473%0.733SS**  trans179.5110.9133.8-161.40000115.5
291F27.9Very low31.1Very low158 Ų158141 Ų14169%0.69374%0.742SS**  trans-3160142-57.6-87.4000122.4D289D289-F291 WeakPolarHBondContact OD1-CE2 3.3Å; D289-F291 WeakPolarHBondContact OD2-CE2 3.31Å
292S28Very low30.9Very low84 Ų84141.5 Ų141.559%0.58774%0.744SS**  cis178.2167.1-21.9610000112.1
293N28.1Very low30.9Very low130 Ų130144.4 Ų144.470%0.69575%0.752SS**  trans76.1114.1151.3-71.3-53.7000121.9
294N27.3Very low30.5Very low149 Ų149143.5 Ų143.580%0.79775%0.753SS**  trans66.7136.7150.7-48.6-41.6000116.6
295Q28.1Very low30.2Very low167 Ų167141.9 Ų141.978%0.7875%0.752SS**  cis-168.6132.142.1174.8174.50.100112.7
296L26.6Very low29.8Very low135 Ų135140.2 Ų140.271%0.70776%0.756SS**  trans63.4135.5163-78.4162.8000120.3
297D28.1Very low29.2Very low144 Ų144137.3 Ų137.377%0.7775%0.753SS**  trans69.6129.2155.3-54.5-28.1000121.1
298D29.4Very low28.9Very low157 Ų157138.5 Ų138.584%0.8476%0.764SS**  trans78147.9164.5-138.7-3.5000120.9
299V30.1Very low28.4Very low118 Ų118134.2 Ų134.272%0.71576%0.755SS**  trans66.1143.4169.3-1720000119.1
300T28.4Very low28.3Very low120 Ų120136 Ų13674%0.73677%0.765SS**  trans-33154.2176.659.60000117.5
301V28.9Very low28.2Very low137 Ų137138 Ų13883%0.8377%0.767SS**  cis-152157.747.6-115.30000112.8
302D29.7Very low28.6Very low159 Ų159133.4 Ų133.485%0.8575%0.75SS**  trans-121148.8166.8-94.6-41.9000111.1
303D30.9Very low28.9Very low153 Ų153132.9 Ų132.982%0.81874%0.744SS**  trans-61.2152.8-162-62.4-42.6000119.7L305D303-L305 PolarHBondContact O-N 3.09Å
304D26.5Very low29.3Very low151 Ų151127.8 Ų127.881%0.80772%0.716SS**  trans-20.9102.9151-75.8-45000117.3
305L26.7Very low29.6Very low162 Ų162123.7 Ų123.785%0.84870%0.699SS**  trans-157.367.7151.5-120.9158.4000112.2D303 S307D303-L305 PolarHBondContact O-N 3.09Å; L305-S307 PolarHBondContact O-N 2.84Å
306I26.2Very low29.7Very low161 Ų161123.7 Ų123.783%0.82670%0.703SS**  trans-66.297.2178.1-58-179.7000110
307S25Very low29.9Very low93 Ų93122.8 Ų122.865%0.6570%0.703SS**  trans-66.7144.1176.3-162.60000111.3L305 G309L305-S307 PolarHBondContact O-N 2.84Å; S307-G309 PolarHBondContact O-N 2.88Å
308V27.1Very low29.8Very low143 Ų143120.9 Ų120.987%0.86770%0.702SS**THydrogen-bonded Turntrans-78.170.9-179.1-170.70000110.1
309G28.7Very low29.7Very low58 Ų58118.7 Ų118.760%0.59870%0.699SS**THydrogen-bonded Turntrans-132.7-42.6-175.500000115.3S307 L311S307-G309 PolarHBondContact O-N 2.88Å; G309-L311 VanDerWaalsContact C-N 3.28Å; G309-L311 PolarHBondContact O-N 3.47Å; G309-L311 VanDerWaalsContact O-N 3.13Å
310D28.4Very low29.7Very low160 Ų160124.7 Ų124.786%0.85671%0.71SS**  trans-84.516.5-165.6-66.8-43000116D312D310-D312 VanDerWaalsContact C-N 3.29Å; D310-D312 PolarHBondContact O-N 3.24Å; D310-D312 VanDerWaalsContact O-N 3.08Å
311L31.5Very low29.6Very low160 Ų160124.1 Ų124.184%0.83871%0.711SS**  trans-85.162.2175.9-74.8174.6000112.8G309G309-L311 VanDerWaalsContact C-N 3.28Å; G309-L311 PolarHBondContact O-N 3.47Å; G309-L311 VanDerWaalsContact O-N 3.13Å
312D36.3Very low29.4Very low61 Ų61121.3 Ų121.333%0.32671%0.71SS.*  trans-111.3100.6157.3-169.525.8000111.5K227 D310 F314 S315K227-D312 IonicContact NZ-OD1 3.48Å; K227-D312 PolarHBondContact NZ-OD1 2.92Å; D310-D312 VanDerWaalsContact C-N 3.29Å; D310-D312 PolarHBondContact O-N 3.24Å; D310-D312 VanDerWaalsContact O-N 3.08Å; D312-F314 PolarHBondContact O-N 3.43Å; D312-S315 PolarHBondContact O-N 3.48Å; D312-S315 PolarHBondContact O-OG 2.93Å; D312-S315 VanDerWaalsContact O-OG 3.07Å
313P35.2Very low29.4Very low72 Ų72123.4 Ų123.447%0.46872%0.715SS.*THydrogen-bonded Turntrans-60.9-3.5177.6-24.735.2000115.6
314F35.9Very low29.3Very low24 Ų24120.4 Ų120.411%0.10571%0.711CS.*THydrogen-bonded Turntrans-112.5-6-172.5-62.1-87.4000114P223 L226 K227 D312P223-F314 HydrophobicContact CB-CB 3.85Å; P223-F314 HydrophobicContact CB-CD1 4.14Å; P223-F314 HydrophobicContact CB-CG 4.41Å; L226-F314 HydrophobicContact CD2-CE1 4.34Å; K227-F314 HydrophobicContact CD-CD2 3.74Å; K227-F314 HydrophobicContact CD-CE2 3.93Å; K227-F314 HydrophobicContact CD-CG 4.37Å; K227-F314 HydrophobicContact CG-CD2 4.38Å; K227-F314 HydrophobicContact CG-CE2 4.1Å; K227-F314 HydrophobicContact CG-CZ 4.49Å; D312-F314 PolarHBondContact O-N 3.43Å
315S33.9Very low29.2Very low63 Ų63122 Ų12244%0.44171%0.714SS.*  trans-84.7-8.5-171.662.70000115.5D312 T317D312-S315 PolarHBondContact O-N 3.48Å; D312-S315 PolarHBondContact O-OG 2.93Å; D312-S315 VanDerWaalsContact O-OG 3.07Å; S315-T317 PolarHBondContact O-N 3.44Å
316L31Very low29.1Very low166 Ų166119.8 Ų119.887%0.86971%0.712SS**  trans-73.331.7-175.1-65.1176.1000115.1
317T29.8Very low29.1Very low116 Ų116117.5 Ų117.571%0.71271%0.71SS**  trans-126.131.4-175.453.60000113.8S315S315-T317 PolarHBondContact O-N 3.44Å
318S26.1Very low29.2Very low105 Ų105121.4 Ų121.473%0.73472%0.724SS**  trans-140.144.1-178.270.40000115.9
319S27.7Very low29.1Very low111 Ų111122.3 Ų122.378%0.77672%0.722SS**  trans-157.392.1166.9-84.30000112.9
320Y29Very low29Very low243 Ų243128.1 Ų128.195%0.95373%0.734SS**  -177.3151.6117-119.4-96.4000110.7
321S26.3Very low28.9Very low109 Ų109129.4 Ų129.476%0.76274%0.735SS**  trans-142.2108.9-173.8590000113.3
322G25.6Very low28.7Very low78 Ų78126.6 Ų126.680%0.80473%0.727SS**  trans70.1112.4149.800000118.9
323E29.6Very low28.3Very low203 Ų203128.9 Ų128.995%0.94974%0.744SS**  trans-131.3165.7135.2-74.5-149.9137.500110.5
324A28.4Very low27.9Very low90 Ų90130.1 Ų130.174%0.74475%0.754SS**  trans-44.8134.7-175.500000114.9
325E24.6Very low27.4Very low185 Ų185136.1 Ų136.186%0.86479%0.788SS**  68.1139.676-71.9-166154.100115.9
326S24.5Very low27.1Very low115 Ų115139.5 Ų139.580%0.80481%0.805SS**  trans70.987.8172.969.30000119.1
327S27.2Very low27Very low112 Ų112139 Ų13978%0.78380%0.801SS**  -177.499.4126.430.20000111.4L329S327-L329 PolarHBondContact O-N 2.92Å
328D26Very low26.7Very low176 Ų176142.3 Ų142.394%0.94181%0.811SS**  trans-71.7114.1160.1-67.8-71.5000108.4
329L26Very low26.7Very low161 Ų161146.7 Ų146.784%0.84382%0.817SS**  trans-141.8145.5169.4-109.9171.4000111.2S327S327-L329 PolarHBondContact O-N 2.92Å
330E25.7Very low26.6Very low180 Ų180147.4 Ų147.484%0.84182%0.817SS**  trans-78.2138.5-176.2-54.4177.2123.300110.6
331E27.5Very low26.4Very low187 Ų187144.9 Ų144.987%0.87481%0.811SS**  trans-118.9107.7153-164.3177.1-13300108.4
332C27.1Very low26.3Very low101 Ų101145.5 Ų145.568%0.68282%0.816SS**  trans-93.6-155.9-169.5-157.10000111.4
333T27.1Very low26.4Very low110 Ų110147 Ų14768%0.67581%0.813SS**  trans-52.5131.4167.544.60000112.2
334S27.2Very low26.3Very low98 Ų98142.3 Ų142.369%0.68580%0.804SS**  trans-118.178.9165.9-48.90000108.8
335D25.9Very low26.3Very low150 Ų150145.9 Ų145.980%0.80281%0.81SS**SBendtrans-176.2132.7150.9-88.7-30.1000105.4
336V27.7Very low26.4Very low133 Ų133144.1 Ų144.181%0.80681%0.806SS**SBendtrans70.5147.7-158.2-166.70000113.1
337I27.1Very low26.6Very low155 Ų155148 Ų14880%0.79581%0.811SS**  trans66.162.9-171.6-37.2-178.6000114.8
338M24.9Very low26.6Very low186 Ų186150.6 Ų150.692%0.91681%0.808SS**  trans-144.562.3156.8-102.5-62.4-100.200110.8
339K25.2Very low26.6Very low198 Ų198150.7 Ų150.786%0.86181%0.805SS**  trans-166.679.8172.5-118.6179.2-176.6-176.50112.6
340T25.8Very low26.6Very low125 Ų125149.7 Ų149.777%0.76780%0.801SS**SBendtrans180157.9151.7200000110.3
341F25Very low26.7Very low190 Ų190148.1 Ų148.183%0.83380%0.798SS**  trans61.976.3173.6-58.4-68000117.6
342S24.6Very low26.6Very low123 Ų123143.1 Ų143.186%0.8678%0.784SS**  trans-15380.5151.3-790000111.2
343S26.6Very low26.5Very low108 Ų108145.2 Ų145.276%0.75579%0.788SS**  trans-176.8142.7160.643.30000112.4
344S27.9Very low26.4Very low106 Ų106150.9 Ų150.974%0.74180%0.799SS**  trans63.7140.9172.174.60000117.4
345N29.5Very low26.5Very low164 Ų164152.8 Ų152.888%0.87780%0.802SS**  cis-138.2151-4.7-106-20.3000111.9
346L25.3Very low26.8Very low149 Ų149149.7 Ų149.778%0.7879%0.79SS**  trans-98.7125.4176.4177.680.3000109.4
347E30.2Very low26.8Very low196 Ų196152.6 Ų152.692%0.91679%0.791SS**  trans-143151.4156.4-143.3167.9-141.400112.2
348K26.7Very low26.8Very low166 Ų166150 Ų15072%0.72279%0.787SS**  trans-104.8144.4-167.8-59.7163.7-177166.60109.4
349M25.7Very low26.9Very low178 Ų178147.8 Ų147.888%0.87778%0.784SS**  179.1161.4108.2-96.1-179.5-165.800113.1
350N25.9Very low27Very low140 Ų140142.6 Ų142.675%0.74977%0.773SS**  trans-37.8156.5161.1-46.8-10.2000112.1
351D27.6Very low27.1Very low147 Ų147142.8 Ų142.879%0.78677%0.769SS**  cis-159-176.345.9-136.5-51.7000114.8
352S25.9Very low27.1Very low82 Ų82143.8 Ų143.857%0.57377%0.769SS**  trans-85.1152.2-167.473.10000116
353N25Very low27.1Very low145 Ų145143.5 Ų143.578%0.77577%0.766SS**  trans75.5156.3154.6-67.3-66000120.8
354Y25.7Very low27.1Very low229 Ų229147.3 Ų147.390%0.89877%0.772SS**  trans83.496.1163.7-103.3-101.9000121.4
355N28.6Very low27Very low139 Ų139147 Ų14774%0.74378%0.776SS**  trans-49.9168.3144.9-142.6-3.1000110.8
356P32.3Very low27Very low85 Ų85145.1 Ų145.155%0.55278%0.775SS**  cis-151.4171.71145.7-25.7000120.5
357K26.4Very low27Very low193 Ų193143.6 Ų143.684%0.83978%0.776SS**  trans66.9144.2157.2-65.8155.9-176.9176.60116
358S28.1Very low27.1Very low102 Ų102144.3 Ų144.371%0.71377%0.772SS**  cis-171.7150.243.147.40000113.9
359V27.6Very low27.3Very low139 Ų139143 Ų14384%0.84277%0.773SS**  trans62.8137.6148172.10000117.6
360S27Very low27.8Very low89 Ų89142 Ų14262%0.62277%0.766SS**  cis-172155.9-20.562.10000105.9
361N27.9Very low28.1Very low129 Ų129144.4 Ų144.469%0.6977%0.77SS**  -179.1157.254-127.4-11.8000111.1
362Y24.5Very low28.1Very low211 Ų211147.9 Ų147.983%0.82777%0.772SS**  trans5194.5161.8-68-70.1000122.2
363S25.6Very low28.4Very low116 Ų116152.5 Ų152.581%0.81178%0.784SS**  trans-158.1145.6138.258.20000113.2
364E25.5Very low28.5Very low188 Ų188150.6 Ų150.688%0.87978%0.778SS**  trans53165.1158.4-59.4-153.4124.100123.9
365A26Very low28.6Very low99 Ų99147.9 Ų147.982%0.81878%0.778SS**  trans62129.317200000119.9
366C28.8Very low28.4Very low126 Ų126145.5 Ų145.585%0.85177%0.773SS**  trans-148.6105.3161.4-95.60000111.1
367S26.6Very low28.3Very low117 Ų117148.7 Ų148.782%0.81879%0.785SS**  trans-95.5157.7158.2-175.20000109.3
368Y32Very low28.2Very low210 Ų210144.3 Ų144.382%0.82478%0.778SS**  trans-133.3123177.6-108.4-83.6000110.7
369D31.1Very low28.2Very low140 Ų140148 Ų14875%0.74979%0.785SS**  trans-145.6139.6177-178.927.7000111.7
370H34.9Very low28.3Very low156 Ų156150.9 Ų150.972%0.72279%0.788SS**  trans-157.9135.6176.7-88.811.5000106.9
371K32.4Very low28.3Very low190 Ų190150.3 Ų150.383%0.82680%0.796SS**  cis-160.5157.735.1-129166.7-173.7172.20113.1
372R28.1Very low28.3Very low220 Ų220148 Ų14883%0.8380%0.803SS**  trans-55152-178.9-53.6169.2169.9-144.5-3.2116
373Q32.6Very low28.5Very low180 Ų180144.4 Ų144.484%0.84180%0.803SS**  -171.597.5102.1-101.4179.9-1100115.8
374T26.2Very low28.7Very low104 Ų104144.8 Ų144.864%0.63880%0.803SS**  26.5117.2125.758.10000121
375L28.5Very low29Very low172 Ų172141.8 Ų141.890%0.90180%0.798SS**  -175.8159.198.6-101.5164.1000112.5
376S24.6Very low29.5Very low90 Ų90141.9 Ų141.963%0.62979%0.79SS**  trans-94.5151.8-173.556.60000113.5
377N29.2Very low29.6Very low151 Ų151142 Ų14281%0.80779%0.789SS**  -176.5163.1108.5-901.7000112.2
378S25.8Very low29.8Very low101 Ų101142.4 Ų142.471%0.70679%0.786SS**  trans-75.6151.4175.349.30000113.2
379E27.8Very low29.6Very low181 Ų181138.4 Ų138.485%0.84678%0.784SS**  -173.5-178.8109.8-102.5174-165.300112.4
380H29Very low29.3Very low199 Ų199136 Ų13692%0.92178%0.784SS**  trans-73.9156-166.5-51.5-38000115.2
381G27.5Very low29Very low76 Ų76138.3 Ų138.378%0.78479%0.792SS**  trans148.1118.814400000117.5
382G28Very low28.7Very low80 Ų80139.4 Ų139.483%0.82579%0.79SS**  trans74.9105.6143.300000119.2
383T29.1Very low28.6Very low137 Ų137134.8 Ų134.884%0.8479%0.789SS**  trans-61.4150.7148.942.90000110.1
384P29.1Very low28.3Very low124 Ų124133.1 Ų133.181%0.80578%0.781SS**  -142.8152.685.337.3-21000116.3
385T30.9Very low28.2Very low125 Ų125134.8 Ų134.877%0.76779%0.785SS**  trans-84.3-177.4161.7450000110.9
386P37.7Very low28Very low101 Ų101131.8 Ų131.866%0.65678%0.779SS**  -119.7-152.5-55.237.4-22.9000109.6
387P30.5Very low28Very low129 Ų129134.7 Ų134.784%0.83879%0.787SS**  -140.5155.8121.338-27.3000115.4
388T30.7Very low27.8Very low124 Ų124135 Ų13576%0.76179%0.788SS**  trans-108.8176.7-177.3-46.70000111.3
389V28.3Very low27.7Very low127 Ų127134.1 Ų134.177%0.7779%0.787SS**  trans97.191.9158.8-1690000118.6
390A25.4Very low27.6Very low90 Ų90132.3 Ų132.374%0.74478%0.783SS**  47.5150.2124.300000124
391K27.8Very low27.4Very low204 Ų204129.6 Ų129.689%0.88778%0.775SS**  -162.7139.5127.8-112.3165.8-172.2178.30115.4
392R26.8Very low27.3Very low213 Ų213132.4 Ų132.480%0.80477%0.772SS**  trans-73.6156.1154-82.1176.4169.6152.5-5109.6
393P26.2Very low27.2Very low122 Ų122138.8 Ų138.879%0.79277%0.772SS**  -120.5151.4109.235.6-32.9000110.3
394Q26.1Very low27.1Very low145 Ų145136.5 Ų136.568%0.67876%0.762SS**  cis75.8131.917.9-76.8-69.718.800118.9
395L23.4Very low26.9Very low140 Ų140137.1 Ų137.173%0.73376%0.763SS**  trans77.3122168.2-96.473.8000122.6
396S24.3Very low26.8Very low109 Ų109134.5 Ų134.576%0.76276%0.761SS**  93.4139.3123.970.30000121.8
397N24.2Very low26.3Very low151 Ų151136.2 Ų136.281%0.80777%0.769SS**  trans-78.6144.5168.3-57-51000110.9
398L24.4Very low26.2Very low158 Ų158134.4 Ų134.483%0.82776%0.76SS**  177.8135129.8-110.672.9000104.8
399A25.2Very low26.1Very low82 Ų82135.2 Ų135.268%0.67876%0.76SS**  49.681.969.900000113.9
400D25Very low26.4Very low143 Ų143136.5 Ų136.577%0.76576%0.757SS**  trans175.3128.3133.8-85.9-21000108.2
401L25.6Very low26.6Very low142 Ų142137.4 Ų137.474%0.74375%0.754SS**  63.895.173-82.6164.6000114.9
402N25.1Very low26.7Very low135 Ų135134.9 Ų134.972%0.72275%0.75SS**  trans80.6129.3145-70-25.4000122
403Y26.1Very low26.9Very low214 Ų214129.2 Ų129.284%0.83974%0.743SS**  trans73.9105.5145.3-86.7-108.3000122.1
404S25.6Very low27Very low89 Ų89134.6 Ų134.662%0.62275%0.747SS**  78115.7121.1-152.50000122.3
405T26.6Very low27.3Very low136 Ų136132.5 Ų132.583%0.83475%0.749SS**  trans58.4121.4137.254.50000122.3
406G27.9Very low27.6Very low70 Ų70131.2 Ų131.272%0.72275%0.751SS**  142.193.6126.800000121.8
407V26.8Very low27.9Very low137 Ų137133.2 Ų133.283%0.8375%0.753SS**  64.6108.4127.4178.50000122.3
408S28.5Very low28Very low92 Ų92130.5 Ų130.564%0.64375%0.752SS**  trans64.9119.5136.276.50000126.3
409D28.8Very low28.2Very low140 Ų140130.3 Ų130.375%0.74975%0.75SS**  85145.2118.3-67.2-30.5000127.5
410H34.4Very low28.3Very low155 Ų155132.1 Ų132.172%0.71875%0.753SS**  trans9791.9145.6-67.9-30.4000125.7
411T31Very low28.3Very low109 Ų109131.1 Ų131.167%0.66976%0.757SS**  66142.3119.860.30000126.7
412N29.3Very low28.5Very low151 Ų151128 Ų12881%0.80776%0.759SS**  trans75152.1145.6-69.7-21.1000120.9
413S30.2Very low28.7Very low94 Ų94129.3 Ų129.366%0.65777%0.766SS**  cis-174161.2-18.361.20000114.4
414R29.3Very low28.7Very low235 Ų235127.2 Ų127.289%0.88776%0.764SS**  trans86.9130.7145.8-83.2178.2172.9179.5-2.3125.4
415S32.7Very low28.6Very low101 Ų101128.5 Ų128.571%0.70677%0.767SS**  81.299.9129.3670000126.2
416S28.7Very low28.4Very low112 Ų112130.9 Ų130.978%0.78377%0.771SS**  67.4143.5106.7-48.30000126
417N31Very low28.2Very low151 Ų151130 Ų13081%0.80776%0.762SS**  trans101.786.6149.2-66.3-2.9000122.7
418A25.9Very low28.1Very low95 Ų95133.3 Ų133.379%0.78577%0.766SS**  65.5159.9110.900000124.7
419I28.2Very low28Very low153 Ų153134.8 Ų134.879%0.78577%0.767SS**  trans107.495159.2-59.4-179.4000118.7
420T27.9Very low27.9Very low121 Ų121135.4 Ų135.474%0.74277%0.765SS**  trans57.7113.8141.964.50000124.2
421S25.4Very low27.6Very low121 Ų121135.9 Ų135.985%0.84677%0.773SS**  trans51.4117.2130.366.60000121.9
422G28.7Very low27.3Very low76 Ų76135.7 Ų135.778%0.78477%0.772SS**  trans-158138.315800000110
423N29.5Very low27.2Very low164 Ų164134.5 Ų134.588%0.87778%0.775SS**  trans-83.2127.1-167.1-95.3-7.5000114.6
424H25.9Very low26.9Very low170 Ų170137.1 Ų137.179%0.78778%0.781SS**  trans62.5144.2130.4-119.6-81.3000122.3
425V24Very low26.8Very low115 Ų115135.2 Ų135.270%0.69778%0.784SS**  trans83.3127.1159.8-176.40000118.9
426M22.2Very low26.4Very low186 Ų186140.5 Ų140.592%0.91679%0.789SS**  trans65.3126.9160.4-73.3-91-8700120
427G24.1Very low26.2Very low52 Ų52142.3 Ų142.354%0.53679%0.788SS.*  trans154106.4142.800000117.8
428F25.6Very low25.9Very low206 Ų206140.9 Ų140.990%0.90478%0.781SS**  trans63.6164.8147.1-50-80.1000119.2
429N24.9Very low25.9Very low124 Ų124141.7 Ų141.766%0.66378%0.778SS**  cis165.1159.6-38-13840.5000104.9
430E26.8Very low26Very low153 Ų153141.1 Ų141.172%0.71578%0.781SS**  trans64.3147175-71.1127-112.600114.9
431D28.7Very low26Very low165 Ų165140.7 Ų140.788%0.88278%0.779SS**  cis-107.716017.3-106.4-47.7000116.4
432V25.2Very low26.3Very low105 Ų105140.9 Ų140.964%0.63678%0.777SS**  trans-111.1138.7-179.8170.90000111L434V432-L434 HydrophobicContact CG1-CG 4.42Å
433S27Very low26.4Very low125 Ų125144.1 Ų144.187%0.87478%0.781SS**  trans-151.480159.1-84.70000113.6
434L24Very low26.4Very low150 Ų150140.5 Ų140.579%0.78577%0.774SS**  trans9.8115.9140.4-66.5160.7000118.1V432V432-L434 HydrophobicContact CG1-CG 4.42Å
435M25.6Very low26.5Very low194 Ų194138.9 Ų138.996%0.95677%0.772SS**  -136.6152.6127.2-88.3-132.5168.200110
436R24.2Very low26.6Very low212 Ų212139.7 Ų139.780%0.877%0.772SS**  trans-83146.5-161.2-69.3-172.6176.4109.22.9113.9D438R436-D438 WeakPolarHBondContact CD-OD2 3.24Å
437I24.8Very low26.9Very low151 Ų151135.9 Ų135.977%0.77476%0.764SS**  trans-75.3117.1145.7-59.3167.8000106.7
438D25.1Very low27.1Very low121 Ų121139.5 Ų139.565%0.64777%0.769SS**  trans-124.7105.5165.5-86.5-55000108R436R436-D438 WeakPolarHBondContact CD-OD2 3.24Å
439P26.6Very low27.4Very low112 Ų112137.8 Ų137.873%0.72776%0.762SS**  trans-86.1123.7179.732.7-30.2000110.5
440V29.9Very low27.5Very low140 Ų140136.7 Ų136.785%0.84876%0.763SS**  trans-112.8112.7179-176.70000111.1
441T28.4Very low27.8Very low113 Ų113134.4 Ų134.469%0.69376%0.762SS**  trans-72.2159.3173.532.40000112.7
442P30.9Very low27.9Very low125 Ų125133.2 Ų133.281%0.81276%0.755SS**  trans-76.8135.7175.231.9-34.3000111.9
443T31.4Very low28Very low143 Ų143134.7 Ų134.788%0.87776%0.758SS**  trans-138.9164.616342.20000110.1
444A28.4Very low28.1Very low88 Ų88132.8 Ų132.873%0.72774%0.744SS**  trans-112.6176.4-158.600000114.8
445D28.3Very low28.4Very low137 Ų137133.6 Ų133.673%0.73374%0.744SS**  trans73.9105.1150.5-78.310.5000121.8
446N27.4Very low28.5Very low131 Ų131127.9 Ų127.970%0.70173%0.728SS**  78145.6120.9-69.7-47.4000121.9
447S28.3Very low28.7Very low107 Ų107128 Ų12875%0.74873%0.734SS**  trans80.5151.6152.397.60000116.1
448I28.1Very low29.1Very low127 Ų127123.7 Ų123.765%0.65173%0.727SS**  cis-162155-4.5-139.8168.3000112
449K30.7Very low29.2Very low171 Ų171123.8 Ų123.874%0.74373%0.732SS**  trans66.9137.7170.8-62155.2-160.6161.70115.6
450S27.8Very low29.4Very low100 Ų100127.3 Ų127.370%0.69974%0.736SS**  cis73.6162.428.887.80000115
451P33.9Very low29.3Very low105 Ų105127.7 Ų127.768%0.68273%0.729SS**  cis-119-165.3-13.625.6-2.5000112.2
452L29.9Very low29.4Very low141 Ų141127.9 Ų127.974%0.73873%0.73SS**  176.1155.880.4-85.7169.9000112.9
453I28.6Very low29.1Very low135 Ų135126 Ų12669%0.69273%0.725SS**  trans57.1106.2140.6-68.8169.5000116.7
454S27.5Very low29Very low85 Ų85127.9 Ų127.959%0.59472%0.721SS**  62.9151.282.776.50000113.6
455E30.1Very low28.9Very low168 Ų168129.7 Ų129.779%0.78572%0.719SS**  cis-153.9142.830.9-125.3134.1-10300108
456A29.2Very low28.8Very low74 Ų74128.3 Ų128.361%0.61272%0.72SS**  93125.378.600000117
457F28.5Very low28.7Very low213 Ų213126.2 Ų126.293%0.93472%0.721SS**  trans58149.2141-76.3-102.1000123.1
458G31.9Very low28.6Very low61 Ų61128.5 Ų128.563%0.62972%0.724SS**  trans106.781.9159.600000114.8
459T28.2Very low28.5Very low123 Ų123126.1 Ų126.176%0.75572%0.719SS**  52.4131.374.378.80000116.4
460K30Very low28.4Very low186 Ų186125.5 Ų125.581%0.80972%0.719SS**  trans70.7158.6156.5-70.9175.9178.7175.70116.1
461Q28Very low28.2Very low148 Ų148127.4 Ų127.469%0.69272%0.717SS**  cis-174.4167-20.2178168.75.900107
462T30.1Very low27.9Very low118 Ų118128.2 Ų128.272%0.72471%0.714SS**  trans69.3130.9-176.370.90000113.5
463A26Very low27.7Very low84 Ų84128.2 Ų128.269%0.69472%0.715SS**  cis81.2159.529.700000114.6
464F28.2Very low27.8Very low183 Ų183127.1 Ų127.180%0.80372%0.719SS**  trans72.3140.4-161.3-65.5-98.3000114.1
465N26.3Very low27.7Very low127 Ų127128.2 Ų128.268%0.67973%0.727SS**  cis154.8167.7-20.6-103-31.5000105.3
466S26.1Very low27.7Very low107 Ų107126 Ų12675%0.74873%0.729SS**  trans58.4102.4171.240.30000113.8
467A26Very low27.7Very low87 Ų87127.2 Ų127.272%0.71973%0.733SS**  60.9157.556.800000113
468N25.7Very low27.9Very low155 Ų155121.8 Ų121.883%0.82972%0.721SS**  trans67.8139.5179-62.2-7.8000112.9
469S26.7Very low27.9Very low78 Ų78125.8 Ų125.855%0.54573%0.728SS.*  cis170.3164.5-1.144.10000106.6
470H27.4Very low28Very low158 Ų158125.9 Ų125.973%0.73173%0.729SS**  trans65.3158.3165.1-58.9-74.8000112.3
471E25.1Very low28Very low140 Ų140120.9 Ų120.965%0.65472%0.717SS**  cis-160.6171.3-15.7-118.9169.6-17000111.7
472L26.3Very low28Very low121 Ų121122.5 Ų122.563%0.63472%0.722SS**  trans49.8112.5143-61.3164000120
473N25.3Very low27.9Very low141 Ų141123.3 Ų123.375%0.75472%0.721SS**  52.8106.7117.7-51.6-5.2000120.5
474S31.1Very low28Very low112 Ų112122.3 Ų122.378%0.78371%0.71SS**  -169.1111.5114.556.80000109.8
475S26.5Very low28Very low108 Ų108119 Ų11976%0.75571%0.705SS**  cis92.694.24474.90000114.5
476C29.6Very low28.1Very low123 Ų123116.2 Ų116.283%0.83171%0.706SS**  trans178.298.4148-99.30000108
477S28.2Very low28.2Very low99 Ų99120.9 Ų120.969%0.69271%0.713SS**  65.212291.668.20000113.5
478S33.3Very low28.3Very low98 Ų98122.4 Ų122.469%0.68571%0.714SS**  cis-155.4138.437.6-51.70000115.1
479N30.8Very low28.4Very low145 Ų145118.6 Ų118.678%0.77571%0.71SS**  57.3138.7124.3-57.3-6.8000121.6
480T31.4Very low28.4Very low126 Ų126120.1 Ų120.177%0.77372%0.716SS**  cis-154.1138.313.7-0.30000114.5
481S30.6Very low28.6Very low80 Ų80121.1 Ų121.156%0.55972%0.721SS**  trans5.4151.8151.255.80000121.6
482F28.3Very low28.7Very low182 Ų182118.5 Ų118.580%0.79872%0.718SS**  cis-137.9170.736.4-79.4-99.6000111.6
483L27.8Very low28.8Very low135 Ų135118.3 Ų118.371%0.70772%0.722SS**  cis81.4137.728.3-64.7173.5000115.1
484S27.5Very low29Very low64 Ų64120.6 Ų120.645%0.44873%0.725SS.*  cis-161.6117.37.71620000116.7
485T28.1Very low28.9Very low114 Ų114120.9 Ų120.970%0.69973%0.726SS**  trans12.9140133.847.30000124.7
486G28.1Very low28.9Very low68 Ų68122.5 Ų122.570%0.70173%0.726SS**  trans155.5154.2150.600000113.8
487F28.3Very low29.1Very low205 Ų205121.9 Ų121.990%0.89972%0.721SS**  cis-155.1-168.6-14.6-126.7-83000110.7
488T27.6Very low29Very low119 Ų119124 Ų12473%0.7372%0.723SS**  trans-112.5158.1-15656.60000118
489G28.7Very low28.7Very low74 Ų74123.8 Ų123.876%0.76372%0.722SS**  trans-176.6124.5157.100000112
490V27.1Very low28.6Very low111 Ų111122.4 Ų122.467%0.67372%0.715SS**  cis140.1142.9-0.5155.90000106.6
491H31.7Very low28.5Very low179 Ų179124.3 Ų124.383%0.82971%0.712SS**  trans74.1146.6178.1-70.2-49.5000118.4
492S26.8Very low28.2Very low84 Ų84128 Ų12859%0.58773%0.725SS**  cis-169.6144.9-16.8-173.40000115
493T27.8Very low28Very low117 Ų117126 Ų12672%0.71872%0.722SS**  trans70138.4145.238.30000124.6
494K29.7Very low28Very low189 Ų189125 Ų12582%0.82272%0.717SS**  trans76.4141.1160.3-63.2164.7-177.9178.10116.7
495C29.6Very low28Very low119 Ų119129.2 Ų129.280%0.80473%0.73SS**  cis-158157.1-8.6-116.70000112.7
496N27Very low27.8Very low141 Ų141130.7 Ų130.775%0.75473%0.733SS**  trans-72.5171.5164.8-95.80.9000111.6
497P33.6Very low27.8Very low110 Ų110134.5 Ų134.571%0.71474%0.735SS**  cis-133.3177.129.831.2-6.1000116.1
498L26.1Very low27.7Very low143 Ų143130.4 Ų130.475%0.74973%0.727SS**  33.5150.184-4393.6000114.9
499S26.4Very low27.6Very low94 Ų94129.7 Ų129.766%0.65773%0.727SS**  cis-170.5168.33552.20000113.9
500D29.2Very low27.5Very low116 Ų116130.9 Ų130.962%0.6272%0.724SS**  trans62.3118146.7-72.4-35000119.8
501K28.4Very low27.4Very low166 Ų166133.1 Ų133.172%0.72273%0.731SS**  72.7129.273.5-75.1-162.5-15686.90114.1
502L24.6Very low27.4Very low157 Ų157129.3 Ų129.382%0.82272%0.722SS**  trans57.1126.1151-63.9164.4000117.5
503L24.8Very low27.3Very low142 Ų142134 Ų13474%0.74373%0.732SS**  158.2144.398.6-174.959000111.2
504N27.6Very low27.1Very low112 Ų112134.1 Ų134.160%0.59973%0.733SS**  trans68.4118.5167.9-72.9-4.9000117.3
505Q26.8Very low27Very low154 Ų154131.8 Ų131.872%0.7273%0.734SS**  74.4106.170.9-73.8179.94.200111.1
506L23.3Very low26.8Very low145 Ų145134.4 Ų134.476%0.75974%0.735SS**  116.9172.581.4-90.3173.4000107.5
507I30Very low26.8Very low147 Ų147137.2 Ų137.275%0.75474%0.741SS**  trans6985.2175.1-46.4174.9000112.3
508T25.5Very low26.6Very low119 Ų119137.4 Ų137.473%0.7373%0.732SS**  64.1143.970.573.80000116.4
509S25.7Very low26.8Very low104 Ų104142.7 Ų142.773%0.72774%0.742SS**  trans92131.1157.274.50000120.7
510S27.1Very low27Very low100 Ų100148.3 Ų148.370%0.69975%0.749SS**  trans59.8127144.850.80000123.1
511L23.9Very low27.2Very low157 Ų157146 Ų14682%0.82275%0.753SS**  5.5158.1123.1-83.275.1000119.1
512P32.2Very low27.4Very low99 Ų99146 Ų14664%0.64376%0.759SS**  cis-144.9-170.1-26.942.1-24000114
513K24.3Very low27.7Very low184 Ų184143.3 Ų143.380%0.875%0.753SS**  trans65.1129152.6-74.8-174.1176.8-172.50120.9
514T24.1Very low28.1Very low118 Ų118145.1 Ų145.172%0.72476%0.755SS**  trans46.4118140.361.70000120.7
515T27.1Very low28.2Very low140 Ų140145.6 Ų145.686%0.85976%0.762SS**  -175159.9107.920.50000111.9
516E25.2Very low28.4Very low174 Ų174144.5 Ų144.581%0.81376%0.76SS**  trans-70.4165.7174.4-53.6148.8100.700112.4
517F27.6Very low28.9Very low200 Ų200144.2 Ų144.288%0.87775%0.754SS**  -161.9143.5121.9-127-83.8000113.9
518E28.9Very low28.8Very low114 Ų114145.1 Ų145.153%0.53376%0.755SS.*  trans-69.1168.7179.8-55.2178.411500114.7R520E518-R520 VanDerWaalsContact CD-NE 3.3Å; E518-R520 IonicContact OE1-CZ 3.65Å; E518-R520 IonicContact OE1-NE 3.4Å; E518-R520 PolarHBondContact OE1-NE 2.96Å; E518-R520 IonicContact OE1-NH2 2.75Å; E518-R520 PolarHBondContact OE1-NH2 2.7Å; E518-R520 WeakPolarHBondContact OE2-CD 3.33Å; E518-R520 IonicContact OE2-CZ 2.77Å; E518-R520 IonicContact OE2-NE 3.77Å; E518-R520 PolarHBondContact OE2-NE 3.06Å; E518-R520 VanDerWaalsContact OE2-NE 3.09Å
519R30.7Very low29.1Very low255 Ų255145.8 Ų145.896%0.96276%0.759SS**  trans-129.7117.9136.3-79.9-164.7174.5-171.80.6112.6
520R30.7Very low29.2Very low211 Ų211146.4 Ų146.480%0.79676%0.763SS**  trans-97.6159.3176-73.6178.4171.9-167.1-3.2113.9E518E518-R520 VanDerWaalsContact CD-NE 3.3Å; E518-R520 IonicContact OE1-CZ 3.65Å; E518-R520 IonicContact OE1-NE 3.4Å; E518-R520 PolarHBondContact OE1-NE 2.96Å; E518-R520 IonicContact OE1-NH2 2.75Å; E518-R520 PolarHBondContact OE1-NH2 2.7Å; E518-R520 WeakPolarHBondContact OE2-CD 3.33Å; E518-R520 IonicContact OE2-CZ 2.77Å; E518-R520 IonicContact OE2-NE 3.77Å; E518-R520 PolarHBondContact OE2-NE 3.06Å; E518-R520 VanDerWaalsContact OE2-NE 3.09Å
521G32.7Very low29.4Very low69 Ų69144.7 Ų144.771%0.71176%0.761SS**  trans173.1135.1158.100000108.4
522I32.6Very low29.7Very low165 Ų165145 Ų14585%0.84676%0.763SS**  cis-151.2134.230.5-76.4165.7000110.8
523S32.1Very low29.6Very low100 Ų100145.5 Ų145.570%0.69976%0.764SS**  trans39.2138.6140.1-157.50000121.9
524K31.5Very low29.7Very low181 Ų181142.8 Ų142.879%0.78776%0.763SS**  cis-179159.9-2.9-114.1-176.1177.1-178.90111.5
525V30.1Very low30Very low122 Ų122141.7 Ų141.774%0.73976%0.76SS**  trans71.2132.5142.8159.50000118.2
526I31.7Very low30.2Very low131 Ų131141.5 Ų141.567%0.67275%0.754SS**  cis-165.2159.4-1-146.2169.6000113.5
527H32.8Very low30.5Very low139 Ų139139 Ų13964%0.64475%0.746SS**  trans52.1129.4168.5-69.6-65.7000119.5
528E28Very low30.7Very low165 Ų165136.8 Ų136.877%0.77174%0.738SS**  70.8136.660.7-64.5-176.7146.400113.7
529V31.6Very low30.8Very low133 Ų133137.2 Ų137.281%0.80674%0.744SS**  cis-147.2160.143.4172.50000113.9
530S29Very low30.7Very low117 Ų117132.6 Ų132.682%0.81874%0.738SS**  trans-44.3167.3172.3-38.40000118.9
531G30.4Very low30.9Very low64 Ų64127.5 Ų127.566%0.6673%0.732SS**  cis155.5-177.5-300000114
532L29.8Very low30.8Very low165 Ų165130.8 Ų130.886%0.86473%0.733SS**  trans75150172.7-51.3131.7000117.2
533T30.1Very low30.8Very low108 Ų108126.5 Ų126.566%0.66372%0.722SS**  cis-171.4147.3-1526.50000111.9
534T28Very low30.7Very low128 Ų128128 Ų12879%0.78572%0.722SS**  trans57.5150.6147.354.80000121.7
535S30.5Very low30.9Very low95 Ų95124.3 Ų124.366%0.66473%0.726SS**  cis-177.3148.7-848.90000113.4
536N30.1Very low31Very low135 Ų135126.2 Ų126.272%0.72273%0.727SS**  trans74128140.5-77.358.3000126.4
537D30.7Very low31.1Very low122 Ų122128.2 Ų128.265%0.65274%0.737SS**  86.9110129.1-51.6-13.2000127.3
538H32.6Very low31Very low154 Ų154125.8 Ų125.871%0.71374%0.736SS**  61.9121.5126.6-70.7-82.1000127.9
539D30.3Very low31.1Very low123 Ų123124.4 Ų124.466%0.65873%0.733SS**  71.6117.6124.7-53.8-10000128.5
540L29Very low31Very low158 Ų158122.7 Ų122.783%0.82773%0.727SS**  57.8173.5125.1-70.5165.5000123.2
541P35.6Very low30.9Very low104 Ų104124.4 Ų124.468%0.67573%0.726SS**  cis-142177.5-35.339.1-20.2000118.5
542L31.3Very low30.7Very low137 Ų137126.1 Ų126.172%0.71773%0.726SS**  trans66.1167.4142.6-108.576.7000128.3I642L542-I642 HydrophobicContact CD1-CD1 3.79Å; L542-I642 HydrophobicContact CD2-CD1 4.21Å; L542-I642 HydrophobicContact CG-CD1 3.88Å
543A31.3Very low30.4Very low76 Ų76126.2 Ų126.263%0.62873%0.727SS**  trans84.4145.416300000121.2
544D30.4Very low30.3Very low130 Ų130125.5 Ų125.570%0.69573%0.732SS**  cis-169.5158.5-16.8-89.5-25.1000110.6
545A36.2Very low30.5Very low105 Ų105125 Ų12587%0.86873%0.731SS**  trans167.5145144.900000115.3
546E31.7Very low30.2Very low162 Ų162126.4 Ų126.476%0.75774%0.735SS**  trans-111173.1-174.2-52.5167.2116.900114.7
547I32.9Very low30Very low173 Ų173127.6 Ų127.689%0.88774%0.737SS**  -175151.4126-94.5158.9000112.8
548S30.9Very low29.9Very low88 Ų88129.6 Ų129.662%0.61575%0.747SS**  trans-87.2179.9-150.552.70000121.1
549D31.5Very low29.5Very low135 Ų135131.2 Ų131.272%0.72275%0.752SS**  trans103.391.2139.1-65.3-41.4000124.4
550S29.4Very low29.3Very low98 Ų98133 Ų13369%0.68576%0.76SS**  100.9126.3106.977.90000124
551I26.2Very low29.2Very low153 Ų153129.9 Ų129.979%0.78576%0.757SS**  86.7108.8128.4-72.3171.9000123.1
552C25.8Very low28.9Very low99 Ų99130.6 Ų130.667%0.66976%0.761SS**  trans68.8117.1133-66.80000126.7
553L25Very low28.7Very low167 Ų167132 Ų13287%0.87477%0.769SS**  70.5166.8121.1-67.4170.1000122.3
554A26Very low28.5Very low94 Ų94132.2 Ų132.278%0.77777%0.771SS**  trans105.4149.6170.700000116.6
555P32.9Very low28.4Very low116 Ų116133.9 Ų133.975%0.75377%0.774SS**  trans-138.4-172.5-132.936-13.5000117.2
556V24.2Very low28.1Very low126 Ų126135.3 Ų135.376%0.76477%0.768SS**  trans72.5124.1162.7-168.20000117.6
557Q25.5Very low27.9Very low160 Ų160134.9 Ų134.975%0.74877%0.766SS**  179.4127.6122.4-98.9171.547.500113.7
558N28.3Very low27.7Very low164 Ų164134.6 Ų134.688%0.87776%0.764SS**  trans-67.3128.4164.6-80.9-27.3000110.6
559K26Very low27.5Very low188 Ų188137.6 Ų137.682%0.81777%0.768SS**  trans-135.4150.5155.4-79.1-174.7179159.70111.2
560I25.7Very low27.4Very low161 Ų161138.7 Ų138.783%0.82677%0.774SS**  trans-117148.9-165.4-68166.2000109.1
561A26.9Very low27.2Very low91 Ų91144 Ų14475%0.75278%0.779SS**  trans70.7165.6168.500000115.6
562P28.6Very low27.4Very low119 Ų119143.2 Ų143.277%0.77378%0.782SS**  cis-130.2176.15.437.8-19000117.4
563L27.7Very low27.4Very low166 Ų166145.5 Ų145.587%0.86979%0.786SS**  trans-35.6155.8144-60.9150.3000112.3
564A27.3Very low27.5Very low81 Ų81142.7 Ų142.767%0.66978%0.779SS**  -164.2161.879.700000110.4
565Q28.2Very low27.5Very low165 Ų165145 Ų14577%0.77178%0.778SS**  50118.279.8-130.391.3-9.200111.4
566D29.8Very low27.1Very low136 Ų136146.9 Ų146.973%0.72778%0.782SS**  -174.9173.783.4-76.5-27.5000109.2
567E27.7Very low27.2Very low153 Ų153149.4 Ų149.472%0.71578%0.782SS**  cis-149.8160.4-28.4-112.2-167.6146.500106.8
568I29Very low27.2Very low166 Ų166149.1 Ų149.185%0.85179%0.786SS**  trans-118.5102.8162.2-64.4179.9000106.7D570I568-D570 PolarHBondContact O-N 3.1Å
569E26.9Very low27.5Very low151 Ų151146.3 Ų146.371%0.70678%0.777SS**  trans-68.3101.4-173.7-83.7-152.9100.400113.3R571E569-R571 VanDerWaalsContact C-N 3.33Å; E569-R571 PolarHBondContact O-N 3.42Å; E569-R571 VanDerWaalsContact O-N 3.11Å
570D28.5Very low27.4Very low158 Ų158144 Ų14485%0.84577%0.772SS**  trans-8567.4174.5-157.28.2000111I568I568-D570 PolarHBondContact O-N 3.1Å
571R26Very low27.4Very low209 Ų209144.1 Ų144.179%0.78977%0.769SS**  trans-136.967.7-173.1-73.1-161.8172.7-171.15117.9E569 I573E569-R571 VanDerWaalsContact C-N 3.33Å; E569-R571 PolarHBondContact O-N 3.42Å; E569-R571 VanDerWaalsContact O-N 3.11Å; R571-I573 PolarHBondContact O-N 3.36Å
572T29.2Very low27.3Very low138 Ų138147.6 Ų147.685%0.84777%0.771SS**  trans-88.384.9155.426.20000113.6
573I27.2Very low27.4Very low146 Ų146148.8 Ų148.875%0.74977%0.771SS**  trans50.4103.9136.7-56.2175.2000119R571R571-I573 PolarHBondContact O-N 3.36Å
574C25.6Very low27.4Very low108 Ų108147.1 Ų147.173%0.7377%0.769SS**  trans48.2116.3133.7-60.30000122.6
575N25.7Very low27.3Very low144 Ų144153.9 Ų153.977%0.7778%0.778SS**  34105.7126.9-67.2-31.4000119.3
576N26Very low27.3Very low154 Ų154153.7 Ų153.782%0.82478%0.78SS**  -169.9169.299.7-109.6-64.2000115.9
577K25.4Very low27Very low179 Ų179152 Ų15278%0.77878%0.779SS**  trans-72.5132.2175-55.7153.4-175.6167.90110.7
578N25.8Very low27Very low155 Ų155149.2 Ų149.283%0.82978%0.782SS**  -178.7160.1115.7-90.9-23.3000112.7
579P34.7Very low26.8Very low104 Ų104149.5 Ų149.568%0.67578%0.778SS**  trans-111.9178.6-176.437.3-24000114.5
580I24.3Very low26.8Very low140 Ų140147 Ų14772%0.71877%0.769SS**  trans74.5115165.2-36.9173.8000116.9
581H26.2Very low26.7Very low164 Ų164143 Ų14376%0.75975%0.754SS**  trans153.9100.8132.1-92.3-83.7000109.2
582M24.7Very low26.6Very low164 Ų164142.9 Ų142.981%0.80875%0.753SS**  89.5114.594-83.5-79.7104.600113.9
583L30.3Very low26.6Very low144 Ų144143.8 Ų143.875%0.75475%0.752SS**  trans-61.4163.5167.6-71.2155.7000111.6
584P27.3Very low26.5Very low130 Ų130143.7 Ų143.784%0.84475%0.751SS**  -134.1158.9103.427.1-11.6000114.9
585R25Very low26.6Very low224 Ų224145 Ų14585%0.84575%0.751SS**  trans-93.1141.9-179.5-58.1164.9170.7166.1-7.7112
586I28.6Very low26.6Very low161 Ų161144.1 Ų144.183%0.82675%0.751SS**  trans-148.292.4152.5-55.1-178.4000105.8
587S23.6Very low26.7Very low101 Ų101141.5 Ų141.571%0.70675%0.745SS**  68.288.676.877.30000115.9
588A26.7Very low26.8Very low94 Ų94141.6 Ų141.678%0.77775%0.748SS**  trans28.7137.2148.700000122.3
589F26.2Very low27Very low172 Ų172139.4 Ų139.475%0.75474%0.742SS**  -168.7141.3116.2-124.8-108.7000115.3
590D26.4Very low26.9Very low99 Ų99138.4 Ų138.453%0.52974%0.737SS.*  trans55.5-170.6156.8-127.3-56.1000122.1
591S27Very low27.8Very low74 Ų74137 Ų13752%0.51774%0.74SS.*  trans-136.9171.4-141.465.10000115.9
592R23.9Very low29Very low206 Ų206134.2 Ų134.278%0.77773%0.731SS**  trans72.782.7163.4-69.6170.9-86.8-170-8.7118.4
593L27.4Very low30.6Very low156 Ų156130.9 Ų130.982%0.81772%0.72SS**  trans-145.2125.3142.1-86.3123.4000105.4
594I27Very low32.2Very low144 Ų144127 Ų12774%0.73870%0.699SS**  49.985.572.2-51.2-178.4000112
595N26.3Very low34.4Very low136 Ų136122.9 Ų122.973%0.72767%0.672SS**  trans-157.3138.5145.1-86.6-40000105.1
596T26.2Very low36.4Very low126 Ų126115.3 Ų115.377%0.77365%0.648SS**  cis58.2362074.50000115
597S27.2Very low38.8Very low99 Ų99109.3 Ų109.369%0.69262%0.615SS**PPolyproline II helixtrans-92.2121.2151.852.50000108.6
598H28.9Very low41.3Very low181 Ų181104.7 Ų104.784%0.83858%0.583SS**PPolyproline II helixtrans-57.2139.6173.7-71.2-95.1000110.7
599P29.9Very low43.1Very low109 Ų109101.9 Ų101.971%0.70856%0.556SS**PPolyproline II helixtrans-61.2140.5154.729.8-32.6000108S601P599-S601 PolarHBondContact O-N 3.08Å
600S31.8Very low44.5Very low82 Ų8294.8 Ų94.857%0.57353%0.532SS*.PPolyproline II helixtrans-58.1136.1168.142.70000109.3D602 V603S600-D602 PolarHBondContact O-N 3.21Å; S600-V603 PolarHBondContact O-N 3.31Å
601S43.6Very low46.7Very low112 Ų11290.8 Ų90.878%0.78351%0.509SS*.THydrogen-bonded Turntrans-59.9-9.2-167.842.40000116P599P599-S601 PolarHBondContact O-N 3.08Å
602D50.6Low48.5Very low105 Ų10589.7 Ų89.756%0.56150%0.5SS*.THydrogen-bonded Turntrans-100.1-3.1-175.2-60.8-74000113.9S600 I604 K1086S600-D602 PolarHBondContact O-N 3.21Å; D602-I604 PolarHBondContact O-N 2.82Å; D602-K1086 IonicContact OD1-NZ 2.76Å; D602-K1086 PolarHBondContact OD1-NZ 2.9Å
603V59.2Low50.6Low94 Ų9485.3 Ų85.357%0.5749%0.489SS*.  trans-8697.7174.8-175.40000110.1S600 P605S600-V603 PolarHBondContact O-N 3.31Å; V603-P605 WeakPolarHBondContact O-CD 3.47Å
604I64Low52.5Low62 Ų6279.4 Ų79.432%0.31847%0.465SS..  trans-55.1122.1171.8-59.7175.5000109.3D602 A608 V609 T1087D602-I604 PolarHBondContact O-N 2.82Å; I604-A608 HydrophobicContact CG2-CB 3.71Å; I604-V609 HydrophobicContact CG2-CG2 4.28Å; I604-T1087 HydrophobicContact CG2-CG2 4.43Å
605P72.4Confident54.6Low44 Ų4476.9 Ų76.929%0.28645%0.453SS..  trans-61.3147.9178.1-25.235.6000112.7V603 W607 A608 V609V603-P605 WeakPolarHBondContact O-CD 3.47Å; P605-W607 HydrophobicContact CB-CD2 4Å; P605-W607 HydrophobicContact CB-CG 4.19Å; P605-W607 HydrophobicContact CB-CZ2 3.98Å; P605-W607 HydrophobicContact CG-CZ2 3.89Å; P605-W607 PolarHBondContact O-N 2.91Å; P605-A608 WeakPolarHBondContact O-CA 3.3Å; P605-A608 WeakPolarHBondContact O-CB 3.26Å; P605-A608 PolarHBondContact O-N 3.09Å; P605-V609 PolarHBondContact O-N 2.79Å
606N68.4Low57.2Low64 Ų6470.6 Ų70.634%0.34242%0.42SS..THydrogen-bonded Turntrans-53.4-31.3-178.8-720.9000113.9A608 C877 K881N606-A608 VanDerWaalsContact C-N 3.31Å; N606-C877 PolarHBondContact ND2-SG 3.06Å; N606-K881 WeakPolarHBondContact OD1-CE 3.31Å
607W78.3Confident59.8Low36 Ų3667.2 Ų67.214%0.13640%0.397CS..THydrogen-bonded Turntrans-77.3-12.1177.957.2-110000114.5P605 R611 D939 Y940 H941 Y1079 P1090P605-W607 HydrophobicContact CB-CD2 4Å; P605-W607 HydrophobicContact CB-CG 4.19Å; P605-W607 HydrophobicContact CB-CZ2 3.98Å; P605-W607 HydrophobicContact CG-CZ2 3.89Å; P605-W607 PolarHBondContact O-N 2.91Å; W607-R611 PolarHBondContact O-NE 3.47Å; W607-R611 PolarHBondContact O-NH2 3.38Å; W607-D939 VanDerWaalsContact CA-O 3.31Å; W607-D939 WeakPolarHBondContact CA-O 3.24Å; W607-D939 VanDerWaalsContact CB-O 3.3Å; W607-D939 WeakPolarHBondContact CB-O 3.46Å; W607-Y940 WeakPolarHBondContact O-CD1 3.43Å; W607-H941 HydrophobicContact CB-CB 3.79Å; W607-H941 AromaticContact CD1-CD2 3.86Å; W607-H941 AromaticContact CD1-CG 3.99Å; W607-H941 HydrophobicContact CD2-CB 4.17Å; W607-H941 HydrophobicContact CG-CB 3.65Å; W607-Y1079 HydrophobicContact CH2-CE2 4.07Å; W607-Y1079 WeakPolarHBondContact CH2-OH 3.5Å; W607-Y1079 HydrophobicContact CZ2-CE2 4.26Å; W607-P1090 HydrophobicContact CD2-CG 4.28Å; W607-P1090 HydrophobicContact CE3-CG 4.13Å; W607-P1090 VanDerWaalsContact CH2-CD 3.48Å; W607-P1090 HydrophobicContact CH2-CG 3.66Å; W607-P1090 HydrophobicContact CZ2-CG 3.8Å; W607-P1090 HydrophobicContact CZ3-CG 3.83Å
608A76.1Confident62.1Low3 Ų362.5 Ų62.53%0.02536%0.364CS..THydrogen-bonded Turntrans-98.8-18.2175.900000112.8I604 P605 N606 G610 R611 T1087I604-A608 HydrophobicContact CG2-CB 3.71Å; P605-A608 WeakPolarHBondContact O-CA 3.3Å; P605-A608 WeakPolarHBondContact O-CB 3.26Å; P605-A608 PolarHBondContact O-N 3.09Å; N606-A608 VanDerWaalsContact C-N 3.31Å; A608-G610 PolarHBondContact O-N 3.02Å; A608-R611 WeakPolarHBondContact O-CG 3.26Å; A608-R611 PolarHBondContact O-N 2.87Å; A608-T1087 HydrophobicContact CB-CG2 3.46Å; A608-T1087 VanDerWaalsContact CB-CG2 3.46Å
609V63.7Low63.9Low36 Ų3654.7 Ų54.722%0.21833%0.327CS..THydrogen-bonded Turntrans-58.9129.3173.6-178.70000109.4I604 P605 T884I604-V609 HydrophobicContact CG2-CG2 4.28Å; P605-V609 PolarHBondContact O-N 2.79Å; V609-T884 HydrophobicContact CB-CG2 4.47Å; V609-T884 HydrophobicContact CG1-CG2 3.82Å
610G55.5Low65.4Low23 Ų2352.6 Ų52.624%0.23731%0.31CS..THydrogen-bonded Turntrans83.44.5177.300000115.9A608 H888A608-G610 PolarHBondContact O-N 3.02Å; G610-H888 VanDerWaalsContact CA-CE1 3.45Å; G610-H888 WeakPolarHBondContact CA-CE1 3.22Å; G610-H888 WeakPolarHBondContact CA-NE2 3.41Å; G610-H888 PolarHBondContact O-CE1 3.21Å; G610-H888 VanDerWaalsContact O-CE1 3.27Å
611R72.5Confident66.6Low15 Ų1551.9 Ų51.96%0.05730%0.298CS..SBendtrans-76.3147.6166-62.1-176.7-176.3-157.2-5.8110.5W607 A608 Q613 W909 Y940 P1089 P1091W607-R611 PolarHBondContact O-NE 3.47Å; W607-R611 PolarHBondContact O-NH2 3.38Å; A608-R611 WeakPolarHBondContact O-CG 3.26Å; A608-R611 PolarHBondContact O-N 2.87Å; R611-Q613 PolarHBondContact O-N 2.78Å; R611-W909 HydrophobicContact CG-CH2 3.95Å; R611-W909 HydrophobicContact CG-CZ2 4Å; R611-Y940 HydrophobicContact CG-CD1 4.33Å; R611-Y940 HydrophobicContact CG-CE1 4.2Å; R611-Y940 PolarHBondContact NH2-O 2.68Å; R611-P1089 PolarHBondContact NH1-O 3Å; R611-P1091 VanDerWaalsContact NH2-CD 3.31Å
612P66.1Low66.4Low50 Ų5053.4 Ų53.433%0.32530%0.297SS..  trans-53.5133.9164.3-23.233.8000110.3N917P612-N917 PolarHBondContact O-ND2 3.21Å
613Q66.6Low65.8Low115 Ų11553 Ų5354%0.53730%0.295SS..  trans-106.5-174.8177.8-64-168.90.200110.8R611R611-Q613 PolarHBondContact O-N 2.78Å
614G68.4Low64.6Low31 Ų3153.5 Ų53.532%0.3229%0.293SS..SBendtrans80.3-163.4-17200000112.6K916G614-K916 WeakPolarHBondContact O-CB 3.45Å; G614-K916 WeakPolarHBondContact O-CD 3.39Å; G614-K916 WeakPolarHBondContact O-CG 3.29Å
615D71.3Confident62.8Low92 Ų9255.7 Ų55.749%0.49230%0.298SS..  trans-95.1153.5-160.8-74.3-54.6000115Q619 K916D615-Q619 VanDerWaalsContact CG-OE1 3.25Å; D615-Q619 PolarHBondContact OD1-NE2 3.36Å; D615-Q619 PolarHBondContact OD1-OE1 2.93Å; D615-K916 VanDerWaalsContact C-CD 3.43Å; D615-K916 WeakPolarHBondContact O-CD 3.47Å; D615-K916 WeakPolarHBondContact O-CE 3.46Å; D615-K916 PolarHBondContact O-NZ 3.13Å
616S80.7Confident60.7Low3 Ų358 Ų582%0.02131%0.313CS..  trans-67.4134.8177173.30000110.5H618 Q619 G912S616-H618 PolarHBondContact O-N 2.92Å; S616-H618 PolarHBondContact OG-N 2.81Å; S616-Q619 PolarHBondContact O-N 3.39Å; S616-Q619 VanDerWaalsContact O-N 3.08Å; S616-G912 PolarHBondContact OG-O 3.31Å
617I79.8Confident58.9Low56 Ų5660.3 Ų60.329%0.28732%0.324SS..THydrogen-bonded Turntrans-65.72.9170.368.8177.7000113D911 R1134 Q1138I617-D911 HydrophobicContact CG1-CB 4.3Å; I617-D911 PolarHBondContact N-OD2 2.93Å; I617-R1134 HydrophobicContact CD1-CB 3.64Å; I617-R1134 HydrophobicContact CD1-CG 4.01Å; I617-R1134 HydrophobicContact CG1-CB 4.19Å; I617-R1134 HydrophobicContact CG1-CG 4.39Å; I617-R1134 VanDerWaalsContact O-CD 3.24Å; I617-R1134 WeakPolarHBondContact O-CD 3.46Å; I617-R1134 PolarHBondContact O-NE 2.85Å; I617-R1134 PolarHBondContact O-NH1 2.99Å; I617-Q1138 HydrophobicContact CD1-CG 4.03Å
618H76.2Confident56.6Low0 Ų066.5 Ų66.50%035%0.354CS..THydrogen-bonded Turntrans-122.236.2172.2-52.2-94.1000111.9S616 Y913 R914 I1111 W1115 R1134S616-H618 PolarHBondContact O-N 2.92Å; S616-H618 PolarHBondContact OG-N 2.81Å; H618-Y913 WeakPolarHBondContact O-CD2 3.3Å; H618-R914 PolarHBondContact O-N 3.49Å; H618-R914 VanDerWaalsContact O-N 3.1Å; H618-I1111 HydrophobicContact CB-CG2 4.34Å; H618-W1115 HydrophobicContact CB-CZ3 4.29Å; H618-R1134 VanDerWaalsContact CE1-CB 3.47Å; H618-R1134 WeakPolarHBondContact CE1-CB 3.5Å
619Q67Low54.4Low16 Ų1669.9 Ų69.98%0.07537%0.372CS..SBendtrans-80.3-65.5175.3-101.1176.60.800113.6D615 S616 R914 D1084D615-Q619 VanDerWaalsContact CG-OE1 3.25Å; D615-Q619 PolarHBondContact OD1-NE2 3.36Å; D615-Q619 PolarHBondContact OD1-OE1 2.93Å; S616-Q619 PolarHBondContact O-N 3.39Å; S616-Q619 VanDerWaalsContact O-N 3.08Å; Q619-R914 HydrophobicContact CG-CB 4.23Å; Q619-R914 HydrophobicContact CG-CG 4.26Å; Q619-R914 PolarHBondContact O-NH1 3.47Å; Q619-D1084 PolarHBondContact NE2-OD1 3.19Å
620D61.4Low52.7Low66 Ų6673.5 Ų73.535%0.35340%0.399SS..  trans-124.1157.7-167.3-66.6-27.2000112.4N622 L623 R914D620-N622 VanDerWaalsContact C-N 3.31Å; D620-L623 HydrophobicContact CB-CD1 4.3Å; D620-L623 HydrophobicContact CB-CG 4.36Å; D620-R914 IonicContact OD1-CZ 3.97Å; D620-R914 IonicContact OD1-NH1 2.69Å; D620-R914 PolarHBondContact OD1-NH1 3.26Å; D620-R914 IonicContact OD1-NH2 3.36Å
621H56Low51.5Low66 Ų6677.7 Ų77.731%0.30643%0.425SS..SBendtrans-70-27.1175.2-60.4-86000112.7W791 W1115H621-W791 HydrophobicContact CB-CH2 4.43Å; H621-W791 HydrophobicContact CB-CZ2 4.36Å; H621-W791 AromaticContact CE1-CE3 3.8Å; H621-W791 AromaticContact CE1-CZ3 3.46Å; H621-W791 VanDerWaalsContact CE1-CZ3 3.46Å; H621-W791 WeakPolarHBondContact CE1-CZ3 3.48Å; H621-W791 AromaticContact ND1-CD2 3.89Å; H621-W791 AromaticContact ND1-CE3 3.36Å; H621-W791 AromaticContact ND1-CH2 3.33Å; H621-W791 VanDerWaalsContact ND1-CH2 3.33Å; H621-W791 WeakPolarHBondContact ND1-CH2 3.45Å; H621-W791 AromaticContact ND1-CZ2 3.86Å; H621-W791 AromaticContact ND1-CZ3 3.08Å; H621-W791 WeakPolarHBondContact ND1-CZ3 3.47Å; H621-W1115 AromaticContact CE1-CE2 3.75Å; H621-W1115 AromaticContact CE1-CZ2 3.76Å; H621-W1115 AromaticContact CE1-NE1 3.37Å; H621-W1115 PolarHBondContact CE1-NE1 3.25Å; H621-W1115 AromaticContact NE2-CE2 3.98Å; H621-W1115 AromaticContact NE2-NE1 3.32Å; H621-W1115 PolarHBondContact NE2-NE1 2.82Å
622N40.2Very low49.3Very low145 Ų14582.9 Ų82.978%0.77546%0.463SS*.SBendtrans-98.8-3.6-168-62.7-1.1000114.6D620 I624D620-N622 VanDerWaalsContact C-N 3.31Å; N622-I624 PolarHBondContact O-N 2.8Å
623L39.1Very low47.6Very low97 Ų9785.7 Ų85.751%0.50848%0.484SS..  trans-78.278.6175.1-73.6171.4000109.8D620D620-L623 HydrophobicContact CB-CD1 4.3Å; D620-L623 HydrophobicContact CB-CG 4.36Å
624I31.9Very low45.8Very low104 Ų10487.9 Ų87.953%0.53350%0.496SS..  trans-100.6100.5179-58.9175.4000108.7N622N622-I624 PolarHBondContact O-N 2.8Å
625Y28.2Very low44Very low107 Ų10794.1 Ų94.142%0.4252%0.522SS..  trans-82.4138.2147.9-80.5-90.9000107.9I627 N723 I727 Q788Y625-I627 PolarHBondContact O-N 3.48Å; Y625-N723 HydrophobicContact CD1-CB 4.42Å; Y625-N723 HydrophobicContact CE1-CB 4.03Å; Y625-I727 HydrophobicContact CE2-CD1 4.07Å; Y625-Q788 PolarHBondContact O-NE2 3.18Å
626P28.1Very low41.9Very low93 Ų9396 Ų9660%0.60453%0.532SS*.  trans-66.5128.2174.228.3-33.2000109.7E628P626-E628 HydrophobicContact CB-CG 4.07Å
627I30.7Very low39.3Very low113 Ų113101.2 Ų101.258%0.57957%0.569SS**  trans-100.590.4155.2-57.3177.6000104.2Y625 L629Y625-I627 PolarHBondContact O-N 3.48Å; I627-L629 HydrophobicContact CG2-CD1 3.9Å; I627-L629 PolarHBondContact O-N 2.8Å
628E28.5Very low36.8Very low165 Ų165107.8 Ų107.877%0.77160%0.598SS**  trans-69.997.6177.2-65.2-151.4155.500110.1P626 S630P626-E628 HydrophobicContact CB-CG 4.07Å; E628-S630 PolarHBondContact O-N 2.88Å
629L29.8Very low34.4Very low74 Ų74114 Ų11439%0.38764%0.636SS.*  trans-76.895.3159.1-77.896.5000107.7I627 S631 T784 M787 L819I627-L629 HydrophobicContact CG2-CD1 3.9Å; I627-L629 PolarHBondContact O-N 2.8Å; L629-S631 PolarHBondContact O-N 3.27Å; L629-S631 VanDerWaalsContact O-N 3.12Å; L629-T784 HydrophobicContact CB-CG2 3.93Å; L629-T784 HydrophobicContact CD2-CG2 4.35Å; L629-M787 HydrophobicContact CD1-CE 4.24Å; L629-L819 HydrophobicContact CD2-CD2 4.3Å
630S29.8Very low32.6Very low113 Ų113118.3 Ų118.379%0.7966%0.664SS**  trans-47.7113-177.7590000112.8E628E628-S630 PolarHBondContact O-N 2.88Å
631S28.6Very low30.9Very low111 Ų111123.6 Ų123.678%0.77669%0.686SS**  trans-78.7130.9174.354.80000111.6L629L629-S631 PolarHBondContact O-N 3.27Å; L629-S631 VanDerWaalsContact O-N 3.12Å
632S27.1Very low29.5Very low123 Ų123126.5 Ų126.586%0.8670%0.703SS**  trans-11587.4171.260.80000111.5
633S30.9Very low28.8Very low109 Ų109124.7 Ų124.776%0.76270%0.697SS**  trans-150.8122.3161.761.10000109.7
634M27.3Very low28.1Very low161 Ų161126.2 Ų126.279%0.79371%0.713SS**  trans-69.8144.4176.8-56.1178.876.500110.7
635N30.8Very low27.8Very low163 Ų163129 Ų12987%0.87273%0.728SS**  -164.7154.4119-99.6-47.6000111.9
636N27Very low27.7Very low132 Ų132131.3 Ų131.371%0.70675%0.748SS**  trans-82.5165.1-169.8-68.8-45.1000113.6
637S26.6Very low27.7Very low112 Ų112132.1 Ų132.178%0.78376%0.755SS**  trans59.4122.1156.250.40000117
638Q27.9Very low27.4Very low194 Ų194131.2 Ų131.291%0.90776%0.759SS**  cis-151.1148.624.1-107.6157.8-12.900111.2
639T26.7Very low27.2Very low129 Ų129130.5 Ų130.579%0.79176%0.76SS**  trans-93.7149.1173.4450000112.1
640T28Very low26.9Very low107 Ų107131 Ų13166%0.65677%0.769SS**  trans-152.9145.1150.8-24.10000109.1
641E26.1Very low26.7Very low177 Ų177134.7 Ų134.783%0.82777%0.767SS**  trans-102.6154.7-160-52.4174.6114.200114.2
642I26.4Very low26.5Very low127 Ų127133.1 Ų133.165%0.65175%0.749SS**  trans-133.790.5153.2-56.7-176.5000110.8L542L542-I642 HydrophobicContact CD1-CD1 3.79Å; L542-I642 HydrophobicContact CD2-CD1 4.21Å; L542-I642 HydrophobicContact CG-CD1 3.88Å
643T24.7Very low26.4Very low108 Ų108133 Ų13366%0.66374%0.744SS**  trans34.4115.9141.8-25.20000120L645T643-L645 PolarHBondContact O-N 3.03Å
644P24.7Very low26.2Very low128 Ų128134 Ų13483%0.83175%0.745SS**  trans-77.1118.1166.131.2-32.2000111.6
645L25.3Very low26.1Very low164 Ų164132.3 Ų132.386%0.85975%0.749SS**  trans-95.6117.1174.7-98.8168.1000111.7T643 S647T643-L645 PolarHBondContact O-N 3.03Å; L645-S647 PolarHBondContact O-N 3.05Å
646N27.6Very low25.9Very low155 Ų155127.8 Ų127.883%0.82974%0.741SS**  trans-70.3115.7176.9-89.4-45000112.9
647S27.8Very low25.7Very low110 Ų110132 Ų13277%0.76975%0.748SS**  trans-137.894.1155.259.30000108.4L645L645-S647 PolarHBondContact O-N 3.05Å
648S24.4Very low25.6Very low93 Ų93132.4 Ų132.465%0.6574%0.742SS**  73.9127.461-57.30000114.3
649L23.9Very low25.5Very low151 Ų151131.1 Ų131.179%0.79173%0.733SS**  trans74.9116.9165.9-53.8163.3000115.1
650S24.2Very low25.3Very low83 Ų83130 Ų13058%0.5873%0.729SS**  cis93.4170.94377.80000114.1
651Y25Very low25.3Very low192 Ų192131.2 Ų131.275%0.75373%0.732SS**  trans86.5115.7-176.4-59-70.8000114.5
652L23.9Very low25.3Very low77 Ų77128.6 Ų128.640%0.40372%0.72SS.*  cis61.6138.622.4-77.4151.4000113.7T731 S732L652-T731 HydrophobicContact CD1-CG2 3.86Å; L652-T731 HydrophobicContact CD2-CG2 4.3Å; L652-T731 HydrophobicContact CG-CG2 3.61Å; L652-S732 WeakPolarHBondContact CD1-O 3.39Å; L652-S732 WeakPolarHBondContact CD2-O 3.33Å
653V25.4Very low25.3Very low122 Ų122132.6 Ų132.674%0.73973%0.726SS**  cis-144.1158.926.5177.90000110.6
654T26.9Very low25.4Very low130 Ų130133.6 Ų133.680%0.79873%0.728SS**  trans-89131.9166.949.50000113.9
655S25.7Very low25.7Very low125 Ų125132.5 Ų132.587%0.87472%0.719SS**  trans163.1169.8141.753.50000113.3
656G24.8Very low25.8Very low67 Ų67132.6 Ų132.669%0.69172%0.715SS**  trans103.685138.500000119.7
657Y24.4Very low25.9Very low222 Ų222129.6 Ų129.687%0.87170%0.702SS**  trans13.6131.8141.5-87.1-92.4000122.3
658D24.8Very low26.2Very low120 Ų120132.5 Ų132.564%0.64270%0.703SS**  trans70.9119.5140-99.218.3000122.7
659K24.5Very low26.5Very low167 Ų167132.6 Ų132.673%0.72670%0.704SS**  trans83.8106.4141.8-64.6-177.3179.395.90122.2
660C23.8Very low26.9Very low105 Ų105130.5 Ų130.571%0.70970%0.702SS**  78.8123.8122.3-64.10000121.9
661N26.1Very low27.3Very low133 Ų133131.5 Ų131.571%0.71171%0.709SS**  trans72.7153148.1-67.855.2000118
662E26.1Very low27.7Very low122 Ų122127.5 Ų127.557%0.5771%0.709SS**  cis179.9132.8-16171.5167.1-135.400109.8
663W26.9Very low28.1Very low210 Ų210128.7 Ų128.780%0.79572%0.724SS**  trans62.5161.5168.2-61.1-33.2000118.5
664D27.2Very low28.5Very low129 Ų129128.1 Ų128.169%0.6973%0.725SS**  cis-168.2147.3-23-101.4-6.8000112.5
665V30.3Very low28.7Very low106 Ų106126.3 Ų126.364%0.64272%0.718SS**  trans70.8120.3131.1173.70000124.8
666E28.4Very low29Very low166 Ų166127.3 Ų127.378%0.77671%0.713SS**  trans67.4164.6143.6-69.5179.7-167.100123.2
667T29.1Very low29.5Very low91 Ų91131.4 Ų131.456%0.55871%0.713SS**  cis-166.4166.5-11.828.10000115.2
668H33.5Very low29.9Very low171 Ų171129.5 Ų129.579%0.79271%0.705SS**  trans67.3161.1148.8-64.1-34.7000122.3
669S31Very low30.2Very low95 Ų95128.4 Ų128.466%0.66470%0.702SS**  cis-175.9164.6-26.461.30000114.7
670S32.8Very low30.5Very low108 Ų108125.7 Ų125.776%0.75570%0.7SS**  trans66.8155.8152.551.20000122.4
671S32.6Very low31Very low103 Ų103127 Ų12772%0.7270%0.7SS**  cis-176.1169.9-15.5560000115.2
672S32.8Very low31.3Very low109 Ų109127.5 Ų127.576%0.76270%0.703SS**  trans71.3149.5151.446.20000122.7
673S33.3Very low31.6Very low102 Ų102128.2 Ų128.271%0.71372%0.715SS**  cis-176.3148-11.8520000117.1
674S33.2Very low31.5Very low109 Ų109124.3 Ų124.376%0.76272%0.715SS**  trans71.3156.7143.772.80000122.2
675S31.6Very low31.4Very low93 Ų93124.4 Ų124.465%0.6572%0.72SS**  cis177.7167.6-22.156.70000114
676L32.1Very low31.3Very low146 Ų146124.3 Ų124.376%0.76472%0.724SS**  trans80.8159.3166.1-48.2174.2000116.8
677H35.2Very low31.2Very low153 Ų153123.6 Ų123.671%0.70872%0.724SS**  cis-171.8168.6-6.4-113.410.6000110
678R32.5Very low31.1Very low181 Ų181125.8 Ų125.868%0.68373%0.732SS**  cis173.6130.5-14.8177-145.1-172.4-100.87.7114.5
679T31.4Very low30.8Very low97 Ų97122.8 Ų122.860%0.59573%0.73SS**  trans66.6156.2154.855.60000121
680T31.6Very low30.7Very low110 Ų110122.8 Ų122.868%0.67574%0.736SS**  cis-171.6160.8-0.119.50000116.1
681N34.1Very low30.5Very low133 Ų133125 Ų12571%0.71174%0.738SS**  trans87.4117.6145.3-69.1-1.5000125.3
682N31.4Very low30.3Very low143 Ų143126.7 Ų126.777%0.76574%0.739SS**  39.7152.2129.1-51.92.4000122
683T31.8Very low30.1Very low137 Ų137127.8 Ų127.884%0.8474%0.736SS**  cis-164.1-17638.1-30.10000112.6
684T26.4Very low29.9Very low129 Ų129129 Ų12979%0.79174%0.735SS**  trans-105.7166.2-166.2-36.60000115.6
685V25.1Very low29.8Very low131 Ų131132.2 Ų132.279%0.79474%0.737SS**  trans124.8132.4148.2-179.60000117.5
686S28.3Very low29.6Very low103 Ų103134.1 Ų134.172%0.7274%0.74SS**  trans-45.2167.3179.3-340000121.1
687I25.7Very low29.5Very low151 Ų151133.9 Ų133.977%0.77475%0.745SS**  -178.6133.2121.7-94.9159.6000114.9
688D27.7Very low29.1Very low137 Ų137132.3 Ų132.373%0.73375%0.75SS**  trans44.5109.6147.7-52.8-10.6000126.7
689S27.6Very low28.8Very low108 Ų108129 Ų12976%0.75576%0.755SS**  62.8116.5116.8800000126
690A28.7Very low28.6Very low95 Ų95131.4 Ų131.479%0.78576%0.764SS**  83.9159.4115.700000124.2
691I27.8Very low28.4Very low156 Ų156133.1 Ų133.180%0.877%0.769SS**  trans100.3108166.3-55.7178.2000117.2
692N28.4Very low28.2Very low137 Ų137135.7 Ų135.773%0.73378%0.776SS**  trans24.1146.4137.3-67.554.4000120.6
693N28.5Very low28Very low133 Ų133139.6 Ų139.671%0.71178%0.78SS**  cis-163.8170.534.3-13011.6000113.2
694N28.9Very low28Very low126 Ų126138.4 Ų138.467%0.67477%0.769SS**  trans-46151.3178-47.1-4000116.8
695H31.4Very low28.2Very low178 Ų178135.8 Ų135.882%0.82476%0.76SS**  -163.9157.6105.5-107.5-70.2000114.3
696N28.4Very low28.5Very low132 Ų132136 Ų13671%0.70676%0.756SS**  trans-53.4166.5176.3-44.63.4000112.3
697T28.2Very low28.6Very low142 Ų142136.8 Ų136.887%0.87175%0.752SS**  cis-146.7171.640.545.30000115.1
698C26.8Very low29Very low119 Ų119132.9 Ų132.980%0.80474%0.737SS**  trans-95.3158.9-179.9-172.70000112.3
699S26.9Very low29.2Very low112 Ų112128 Ų12878%0.78371%0.714SS**  trans-158.1150.4145.144.60000112.3
700D26.7Very low29.5Very low147 Ų147126.2 Ų126.279%0.78670%0.702SS**  trans-58.2149.1-165.8-59.5-95.7000117.4
701N28.5Very low29.9Very low147 Ų147126.6 Ų126.679%0.78669%0.69SS**  trans-165.562.8147.7-101.9-49.8000113.7
702H29Very low30.3Very low187 Ų187124.7 Ų124.787%0.86668%0.677SS**  trans-122.666.8177.3-93.6-64.1000114
703R28.2Very low30.7Very low224 Ų224124.5 Ų124.585%0.84567%0.666SS**SBendtrans-131.6-29.6164.3-80.6-167.2164108.14.6116.2
704D30.6Very low31.1Very low113 Ų113123.1 Ų123.160%0.60466%0.656SS**THydrogen-bonded Turntrans-81.7-22.7-167.3-59.5-50.6000115.8L706 L707 S708D704-L706 PolarHBondContact O-N 3.45Å; D704-L706 VanDerWaalsContact O-N 3.16Å; D704-L707 PolarHBondContact O-N 3.39Å; D704-S708 PolarHBondContact O-N 3.17Å
705A31.4Very low31.6Very low73 Ų73123.4 Ų123.460%0.60365%0.651SS**Hα-helixtrans-59.6-29.6-178.400000114.3S709A705-S709 PolarHBondContact O-N 3.16Å; A705-S709 PolarHBondContact O-OG 3.35Å
706L30.8Very low31.9Very low136 Ų136118.3 Ų118.371%0.71263%0.629SS**Hα-helixtrans-78.8-27.8-178.4-71.9171.5000113.2D704 S710D704-L706 PolarHBondContact O-N 3.45Å; D704-L706 VanDerWaalsContact O-N 3.16Å; L706-S710 PolarHBondContact O-OG 2.84Å
707L31.2Very low32.2Very low120 Ų120116 Ų11663%0.62861%0.611SS**Hα-helixtrans-77.4-46.2173.9-108.471.1000111.1D704 S709 S710 I711D704-L707 PolarHBondContact O-N 3.39Å; L707-S709 PolarHBondContact O-N 3.29Å; L707-S710 WeakPolarHBondContact O-CB 3.31Å; L707-S710 PolarHBondContact O-N 2.8Å; L707-I711 PolarHBondContact O-N 3.02Å
708S32.5Very low32.5Very low68 Ų68113.7 Ų113.748%0.47659%0.593SS.*Hα-helixtrans-57.2-50.3-179.9-61.90000111.8D704 S710 I711 E712D704-S708 PolarHBondContact O-N 3.17Å; S708-S710 PolarHBondContact O-N 3.02Å; S708-I711 PolarHBondContact O-N 3.3Å; S708-I711 VanDerWaalsContact O-N 3.1Å; S708-E712 VanDerWaalsContact O-CB 3.23Å; S708-E712 WeakPolarHBondContact O-CB 3.42Å; S708-E712 PolarHBondContact O-N 2.67Å
709S32.8Very low33Very low34 Ų34113.5 Ų113.524%0.23858%0.58CS.*Hα-helixtrans-67.2-8.2178.375.10000114.7A705 L707 R713A705-S709 PolarHBondContact O-N 3.16Å; A705-S709 PolarHBondContact O-OG 3.35Å; L707-S709 PolarHBondContact O-N 3.29Å; S709-R713 WeakPolarHBondContact O-CB 3.33Å; S709-R713 WeakPolarHBondContact O-CG 3.26Å; S709-R713 PolarHBondContact O-N 3.09Å; S709-R713 PolarHBondContact O-NE 3.25Å; S709-R713 PolarHBondContact O-NH2 2.99Å; S709-R713 PolarHBondContact OG-NH2 2.93Å
710S32.9Very low33.2Very low72 Ų72112.3 Ų112.350%0.50357%0.565SS.*Hα-helixtrans-92.3-37.9172.2-58.80000111.8L706 L707 S708 Q714L706-S710 PolarHBondContact O-OG 2.84Å; L707-S710 WeakPolarHBondContact O-CB 3.31Å; L707-S710 PolarHBondContact O-N 2.8Å; S708-S710 PolarHBondContact O-N 3.02Å; S710-Q714 PolarHBondContact O-N 2.94Å
711I37.1Very low33.6Very low103 Ų103111 Ų11153%0.52856%0.558SS.*Hα-helixtrans-71.5-38.7174.5-65.6166.6000110.5L707 S708 Q714 K715L707-I711 PolarHBondContact O-N 3.02Å; S708-I711 PolarHBondContact O-N 3.3Å; S708-I711 VanDerWaalsContact O-N 3.1Å; I711-Q714 PolarHBondContact O-N 2.85Å; I711-K715 PolarHBondContact O-N 2.74Å
712E37.6Very low33.8Very low116 Ų116106.3 Ų106.354%0.54254%0.539SS..Hα-helixtrans-70.5-38.9177.1-165.1153.4-115.400111.7S708 Q714 K715 I716S708-E712 VanDerWaalsContact O-CB 3.23Å; S708-E712 WeakPolarHBondContact O-CB 3.42Å; S708-E712 PolarHBondContact O-N 2.67Å; E712-Q714 PolarHBondContact O-N 3.21Å; E712-K715 WeakPolarHBondContact O-CB 3.48Å; E712-K715 PolarHBondContact O-N 3.04Å; E712-I716 HydrophobicContact CG-CD1 4.43Å; E712-I716 VanDerWaalsContact O-CG1 3.28Å; E712-I716 WeakPolarHBondContact O-CG1 3.35Å; E712-I716 PolarHBondContact O-N 3.09Å
713R36.2Very low33.9Very low133 Ų133100 Ų10050%0.50251%0.512SS..Hα-helixtrans-60.3-42.7166.6-93.5177.8-83.8-135.3-5.4112.4S709 I716 Y717S709-R713 WeakPolarHBondContact O-CB 3.33Å; S709-R713 WeakPolarHBondContact O-CG 3.26Å; S709-R713 PolarHBondContact O-N 3.09Å; S709-R713 PolarHBondContact O-NE 3.25Å; S709-R713 PolarHBondContact O-NH2 2.99Å; S709-R713 PolarHBondContact OG-NH2 2.93Å; R713-I716 PolarHBondContact O-N 2.81Å; R713-Y717 HydrophobicContact CB-CE2 4.09Å; R713-Y717 WeakPolarHBondContact O-CD2 3.23Å; R713-Y717 PolarHBondContact O-N 3.05Å
714Q37.9Very low34.1Very low104 Ų10495.9 Ų95.949%0.48650%0.503SS..Hα-helixtrans-62.2-44.6175.4-169.561.458.600111.7S710 I711 E712 I716 Y717 D718S710-Q714 PolarHBondContact O-N 2.94Å; I711-Q714 PolarHBondContact O-N 2.85Å; E712-Q714 PolarHBondContact O-N 3.21Å; Q714-I716 VanDerWaalsContact C-N 3.32Å; Q714-I716 PolarHBondContact O-N 2.79Å; Q714-Y717 PolarHBondContact O-N 3.38Å; Q714-Y717 VanDerWaalsContact O-N 3.12Å; Q714-D718 PolarHBondContact NE2-OD1 3Å; Q714-D718 PolarHBondContact O-N 2.99Å
715K38.2Very low34.2Very low132 Ų13296.9 Ų96.957%0.57451%0.507SS*.Hα-helixtrans-55.1-46.1171.8-75.9-179.6174.9-177.30111.9I711 E712 Y717 D718 E719I711-K715 PolarHBondContact O-N 2.74Å; E712-K715 WeakPolarHBondContact O-CB 3.48Å; E712-K715 PolarHBondContact O-N 3.04Å; K715-Y717 VanDerWaalsContact C-N 3.31Å; K715-Y717 PolarHBondContact O-N 2.9Å; K715-D718 CarbonylContact O-C 3.54Å; K715-D718 PolarHBondContact O-N 2.86Å; K715-E719 WeakPolarHBondContact O-CB 3.44Å; K715-E719 PolarHBondContact O-N 3.45Å
716I37.7Very low34Very low71 Ų7199.7 Ų99.736%0.36451%0.508SS..Hα-helixtrans-64.5-34.9178.9-69.4163.2000111.2E712 R713 Q714 I720E712-I716 HydrophobicContact CG-CD1 4.43Å; E712-I716 VanDerWaalsContact O-CG1 3.28Å; E712-I716 WeakPolarHBondContact O-CG1 3.35Å; E712-I716 PolarHBondContact O-N 3.09Å; R713-I716 PolarHBondContact O-N 2.81Å; Q714-I716 VanDerWaalsContact C-N 3.32Å; Q714-I716 PolarHBondContact O-N 2.79Å; I716-I720 HydrophobicContact CG2-CD1 3.76Å; I716-I720 HydrophobicContact CG2-CG1 4.4Å; I716-I720 VanDerWaalsContact O-CB 3.29Å; I716-I720 WeakPolarHBondContact O-CB 3.26Å; I716-I720 WeakPolarHBondContact O-CD1 3.42Å; I716-I720 WeakPolarHBondContact O-CG1 3.44Å; I716-I720 PolarHBondContact O-N 2.86Å
717Y34.3Very low33.9Very low83 Ų8398 Ų9833%0.32550%0.499SS..Hα-helixtrans-69.7-43.7172.6-65.9-56.8000112R713 Q714 K715 E719 I720 D721 E822R713-Y717 HydrophobicContact CB-CE2 4.09Å; R713-Y717 WeakPolarHBondContact O-CD2 3.23Å; R713-Y717 PolarHBondContact O-N 3.05Å; Q714-Y717 PolarHBondContact O-N 3.38Å; Q714-Y717 VanDerWaalsContact O-N 3.12Å; K715-Y717 VanDerWaalsContact C-N 3.31Å; K715-Y717 PolarHBondContact O-N 2.9Å; Y717-E719 PolarHBondContact O-N 3.23Å; Y717-I720 PolarHBondContact O-N 3.35Å; Y717-D721 PolarHBondContact O-N 2.96Å; Y717-E822 VanDerWaalsContact OH-CD 3.27Å; Y717-E822 PolarHBondContact OH-OE1 2.98Å; Y717-E822 PolarHBondContact OH-OE2 3.06Å
718D35.4Very low33.7Very low93 Ų9399 Ų9950%0.49751%0.505SS..Hα-helixtrans-62.6-33.5175.7-57.6-17.6000111.2Q714 K715 A722Q714-D718 PolarHBondContact NE2-OD1 3Å; Q714-D718 PolarHBondContact O-N 2.99Å; K715-D718 CarbonylContact O-C 3.54Å; K715-D718 PolarHBondContact O-N 2.86Å; D718-A722 WeakPolarHBondContact O-CB 3.29Å; D718-A722 PolarHBondContact O-N 2.8Å
719E36.2Very low33.3Very low115 Ų115100.4 Ų100.454%0.53752%0.515SS..Hα-helixtrans-82.3-26.6177.9-174166.2-123.500112.7K715 Y717 N723K715-E719 WeakPolarHBondContact O-CB 3.44Å; K715-E719 PolarHBondContact O-N 3.45Å; Y717-E719 PolarHBondContact O-N 3.23Å; E719-N723 WeakPolarHBondContact CG-ND2 3.36Å; E719-N723 WeakPolarHBondContact O-CB 3.42Å; E719-N723 PolarHBondContact O-N 2.77Å; E719-N723 PolarHBondContact O-ND2 2.94Å
720I32.2Very low33.2Very low88 Ų88105 Ų10545%0.45154%0.541SS..Hα-helixtrans-73-40.5168.3-76.4165000110.6I716 Y717 A722 N723 M724I716-I720 HydrophobicContact CG2-CD1 3.76Å; I716-I720 HydrophobicContact CG2-CG1 4.4Å; I716-I720 VanDerWaalsContact O-CB 3.29Å; I716-I720 WeakPolarHBondContact O-CB 3.26Å; I716-I720 WeakPolarHBondContact O-CD1 3.42Å; I716-I720 WeakPolarHBondContact O-CG1 3.44Å; I716-I720 PolarHBondContact O-N 2.86Å; Y717-I720 PolarHBondContact O-N 3.35Å; I720-A722 VanDerWaalsContact C-N 3.3Å; I720-N723 PolarHBondContact O-N 2.82Å; I720-M724 WeakPolarHBondContact O-CB 3.41Å; I720-M724 WeakPolarHBondContact O-CG 3.44Å; I720-M724 PolarHBondContact O-N 2.74Å
721D33.9Very low33Very low120 Ų120106.7 Ų106.764%0.64255%0.549SS*.Hα-helixtrans-65-34171.3-93.8-10.2000111.3Y717 I725Y717-D721 PolarHBondContact O-N 2.96Å; D721-I725 WeakPolarHBondContact O-CD1 3.36Å; D721-I725 WeakPolarHBondContact O-CG1 3.3Å
722A33.7Very low32.8Very low47 Ų47106 Ų10639%0.38855%0.553SS.*Hα-helixtrans-68.7-48.2170.800000112.9D718 I720 M724 I725 E726D718-A722 WeakPolarHBondContact O-CB 3.29Å; D718-A722 PolarHBondContact O-N 2.8Å; I720-A722 VanDerWaalsContact C-N 3.3Å; A722-M724 VanDerWaalsContact C-N 3.3Å; A722-M724 PolarHBondContact O-N 2.94Å; A722-I725 WeakPolarHBondContact O-CA 3.5Å; A722-I725 VanDerWaalsContact O-CB 3.32Å; A722-I725 WeakPolarHBondContact O-CB 3.29Å; A722-I725 PolarHBondContact O-N 2.93Å; A722-E726 PolarHBondContact O-N 3.49Å
723N32Very low32.5Very low56 Ų56106.2 Ų106.230%0.29957%0.567SS.*Hα-helixtrans-72.2-20.5-176.7-75.4-43000113.5Y625 E719 I720Y625-N723 HydrophobicContact CD1-CB 4.42Å; Y625-N723 HydrophobicContact CE1-CB 4.03Å; E719-N723 WeakPolarHBondContact CG-ND2 3.36Å; E719-N723 WeakPolarHBondContact O-CB 3.42Å; E719-N723 PolarHBondContact O-N 2.77Å; E719-N723 PolarHBondContact O-ND2 2.94Å; I720-N723 PolarHBondContact O-N 2.82Å
724M31.5Very low32.3Very low136 Ų136104.5 Ų104.567%0.6758%0.576SS**THydrogen-bonded Turntrans-73.7-12.2165.5-82.2-76.4-178.800113.6I720 A722I720-M724 WeakPolarHBondContact O-CB 3.41Å; I720-M724 WeakPolarHBondContact O-CG 3.44Å; I720-M724 PolarHBondContact O-N 2.74Å; A722-M724 VanDerWaalsContact C-N 3.3Å; A722-M724 PolarHBondContact O-N 2.94Å
725I31.8Very low32.1Very low134 Ų134106.4 Ų106.469%0.68759%0.589SS**THydrogen-bonded Turntrans-94.5-24.5174.3-65.7167.8000111.3D721 A722 I727D721-I725 WeakPolarHBondContact O-CD1 3.36Å; D721-I725 WeakPolarHBondContact O-CG1 3.3Å; A722-I725 WeakPolarHBondContact O-CA 3.5Å; A722-I725 VanDerWaalsContact O-CB 3.32Å; A722-I725 WeakPolarHBondContact O-CB 3.29Å; A722-I725 PolarHBondContact O-N 2.93Å; I725-I727 PolarHBondContact O-N 2.86Å
726E27.2Very low31.8Very low132 Ų132107 Ų10762%0.61760%0.599SS**  trans-76.233.6-177.4-64.5-140137.200116.3A722A722-E726 PolarHBondContact O-N 3.49Å
727I29.3Very low31.3Very low102 Ų102108.7 Ų108.752%0.52361%0.612SS.*SBendtrans-133.472.6164.4-46.3178.7000110.2Y625 I725Y625-I727 HydrophobicContact CE2-CD1 4.07Å; I725-I727 PolarHBondContact O-N 2.86Å
728N26.8Very low31Very low141 Ų141109.7 Ų109.775%0.75463%0.631SS**SBendtrans172.352.8150.7-95.1-60.3000113.4
729S25.6Very low30.7Very low97 Ų97109.2 Ų109.268%0.67864%0.64SS**  trans-149.447.1-17354.50000117
730T28.9Very low30.3Very low130 Ų130115 Ų11580%0.79866%0.657SS**  trans-121.7103.7165.349.80000112.6
731T30.6Very low30.2Very low108 Ų108117.2 Ų117.266%0.66367%0.67SS**  170.5150.2115.437.40000111.9L652L652-T731 HydrophobicContact CD1-CG2 3.86Å; L652-T731 HydrophobicContact CD2-CG2 4.3Å; L652-T731 HydrophobicContact CG-CG2 3.61Å
732S32.3Very low30.2Very low89 Ų89118.3 Ų118.362%0.62268%0.676SS**  trans-115.8171.6-168.556.10000114.2L652L652-S732 WeakPolarHBondContact CD1-O 3.39Å; L652-S732 WeakPolarHBondContact CD2-O 3.33Å
733S31.6Very low30.1Very low119 Ų119124 Ų12483%0.83269%0.694SS**  trans-144.5145146.659.20000110
734S31.3Very low30.1Very low98 Ų98124.9 Ų124.969%0.68572%0.717SS**  trans-81.3167.718054.20000113.1
735D34.5Very low30Very low144 Ų144124.1 Ų124.177%0.7772%0.719SS**  158.8139125.6-78.32000109.6
736D31.1Very low29.8Very low144 Ų144124.7 Ų124.777%0.7772%0.722SS**  cis-165.9173.9-17-167.38.1000109.3
737V28.2Very low29.8Very low107 Ų107124.5 Ų124.565%0.64873%0.726SS**  trans71.781.7157.6-168.90000120.9
738S27Very low29.7Very low103 Ų103125.2 Ų125.272%0.7273%0.734SS**  81.5127.8115.887.60000125.5
739A28.9Very low29.8Very low83 Ų83125 Ų12569%0.68674%0.738SS**  69.611412000000123.7
740R29Very low30Very low237 Ų237125.3 Ų125.389%0.89474%0.735SS**  -174.9151.995.7-98.9164.5-174.4156.75.4116.2
741N29.3Very low30Very low135 Ų135126.6 Ų126.672%0.72274%0.737SS**  trans-57174.6173.5-407000113.1
742D34.7Very low29.9Very low142 Ų142127.7 Ų127.776%0.75974%0.739SS**  cis-146.8145.536.8-75.8-52.3000109.8
743E31.4Very low29.9Very low167 Ų167131.1 Ų131.178%0.7875%0.75SS**  72.713268-88.2-68.2-17900116
744G31.9Very low29.8Very low75 Ų75132.1 Ų132.177%0.77375%0.747SS**  trans158.298.2-174.300000115.7
745V29.1Very low29.7Very low119 Ų119137.1 Ų137.172%0.72176%0.756SS**  trans-112-170.5-175.1-173.90000110.4
746I27.4Very low29.7Very low147 Ų147138 Ų13875%0.75476%0.756SS**  trans86.9133.5161.5-59.7168.7000115.3
747D27.5Very low29.9Very low128 Ų128135.4 Ų135.468%0.68475%0.747SS**  cis-162.3158.8-15.3-110-11000112.5
748V26.4Very low29.9Very low116 Ų116138.8 Ų138.870%0.70376%0.756SS**  trans24.5132.5134.7-174.70000120.6
749V28.4Very low30Very low138 Ų138141.6 Ų141.684%0.83676%0.757SS**  -169.7141.3116.4147.40000110.8
750V29.7Very low30.1Very low102 Ų102147.4 Ų147.462%0.61877%0.77SS**  trans-94.9158-179179.20000110
751N29.2Very low30.1Very low157 Ų157141.9 Ų141.984%0.8476%0.757SS**  trans-175.2146.1131.2-92.42.8000111.3
752D29.8Very low30.2Very low132 Ų132144.9 Ų144.971%0.70677%0.767SS**  trans-80.9172.7-179.8-40.8-94000112
753D32.3Very low29.9Very low160 Ų160146 Ų14686%0.85677%0.767SS**  -174.9146.6126.3-92.8-19.1000110.7
754D28.6Very low30Very low141 Ų141145.1 Ų145.175%0.75477%0.768SS**  trans-61158.8-170.8-52-61.7000116.1
755F28.7Very low30Very low202 Ų202147.5 Ų147.589%0.88676%0.764SS**  -177.8105113.7-114.8-104.4000113.6
756E35.9Very low30.1Very low163 Ų163147.9 Ų147.976%0.76276%0.761SS**  trans-66.5158.8141-85.2-78.9155.500108.2
757P34.1Very low30.5Very low90 Ų90148.4 Ų148.458%0.58477%0.766SS**  -160.5179.456.844-21.5000120.5
758E27.8Very low30.9Very low178 Ų178150.5 Ų150.583%0.83277%0.771SS**  trans92.6143.6134.6-95.4160.1-125.500121.4
759E29.8Very low31.3Very low161 Ų161152.1 Ų152.175%0.75277%0.771SS**  trans-98.7154.5-173.9-52.1170.4146.900110.6
760E30.8Very low31.5Very low206 Ų206155.1 Ų155.196%0.96378%0.776SS**  trans-125.7129.5145.7-80-167.2147.700109
761I29.3Very low31.5Very low121 Ų121157.4 Ų157.462%0.62178%0.78SS**  trans-107129.9-178.6-60.6163.8000107.3E763I761-E763 HydrophobicContact CG2-CG 3.9Å
762E32Very low31.7Very low197 Ų197157.3 Ų157.392%0.92178%0.779SS**  trans-129.5135.1148.1-73.3-161.3149.100109
763E28.4Very low31.8Very low165 Ų165159.5 Ų159.577%0.77179%0.786SS**  trans-96.5168.2-176.1-58.7171.4126.100110.3I761I761-E763 HydrophobicContact CG2-CG 3.9Å
764D33.4Very low31.9Very low150 Ų150155.4 Ų155.480%0.80276%0.764SS**  trans139.488.5151.9-75.1-14000113.6
765N31.8Very low32Very low125 Ų125156.2 Ų156.267%0.66877%0.768SS**  31.514299.7-68.954.5000118.7
766D31.7Very low32.3Very low126 Ų126152 Ų15267%0.67475%0.754SS**  cis-156172.2-3.4-85-36.5000108.1
767D35.5Very low32.1Very low159 Ų159151.3 Ų151.385%0.8576%0.756SS**  trans156.489.6137.3-82.2-10000112.5
768E35.1Very low32Very low171 Ų171153.3 Ų153.380%0.79976%0.762SS**  trans-3.3122.2148.9-67.6167.1-170.100117.1
769E34.9Very low32.2Very low151 Ų151151.7 Ų151.771%0.70676%0.758SS**  82124.973.4-77.8174.2-15500115.8
770E32.7Very low32.2Very low201 Ų201152.5 Ų152.594%0.93976%0.762SS**  trans-133.9113134.1-82-166.4156.800106.3
771E30Very low32.1Very low150 Ų150148.9 Ų148.970%0.70175%0.754SS**  trans-90.9120.5174.4-62-163.7125.200110.3E773E771-E773 PolarHBondContact O-N 3.3Å
772D33.5Very low32.2Very low154 Ų154147 Ų14782%0.82475%0.748SS**  trans-8692.3165.8-88.2-42.4000108.8D774D772-D774 PolarHBondContact O-N 2.66Å
773E30.6Very low32.6Very low179 Ų179144.5 Ų144.584%0.83674%0.736SS**  trans-65.9106.2166.1-67.7-176.9131.500110E771E771-E773 PolarHBondContact O-N 3.3Å
774D34.9Very low33.4Very low73 Ų73140.5 Ų140.539%0.3972%0.723SS.*  trans-122.992.9174-137.4-16.7000108.8D772 D776 S1267 L1268D772-D774 PolarHBondContact O-N 2.66Å; D774-D776 PolarHBondContact O-N 3.49Å; D774-S1267 VanDerWaalsContact OD1-CA 3.3Å; D774-S1267 WeakPolarHBondContact OD1-CA 3.25Å; D774-S1267 WeakPolarHBondContact OD1-CB 3.38Å; D774-L1268 HydrophobicContact CB-CD1 4.32Å; D774-L1268 WeakPolarHBondContact OD2-CG 3.3Å
775D32.3Very low34.5Very low158 Ų158134.5 Ų134.585%0.84569%0.691SS**  trans-58.7115.8-179-78-55.7000112.4
776D33.2Very low35.8Very low113 Ų113132.7 Ų132.760%0.60468%0.681SS**  trans-145.947.9163.1-149.1-5.9000112.7D774 N778D774-D776 PolarHBondContact O-N 3.49Å; D776-N778 PolarHBondContact O-N 2.99Å; D776-N778 PolarHBondContact OD1-ND2 3.48Å
777D31.9Very low37.4Very low150 Ų150127.4 Ų127.480%0.80265%0.652SS**  trans-74.741.5178-142.612.2000112.5L779D777-L779 VanDerWaalsContact C-N 3.27Å; D777-L779 PolarHBondContact O-N 2.98Å
778N32.6Very low38.4Very low131 Ų131123.4 Ų123.470%0.70163%0.628SS**  trans-79.273.5171.6-80.4-70.4000110.2D776 E780D776-N778 PolarHBondContact O-N 2.99Å; D776-N778 PolarHBondContact OD1-ND2 3.48Å; N778-E780 PolarHBondContact O-N 2.9Å
779L32.2Very low39.8Very low145 Ų145121.9 Ų121.976%0.75962%0.621SS**  trans-58.3100.3161.4-114.975.9000108.5D777 V781D777-L779 VanDerWaalsContact C-N 3.27Å; D777-L779 PolarHBondContact O-N 2.98Å; L779-V781 WeakPolarHBondContact O-CG2 3.44Å; L779-V781 PolarHBondContact O-N 2.87Å
780E29.4Very low41.8Very low178 Ų178117.1 Ų117.183%0.83260%0.599SS**  trans-64.696.7180-172.3174.8-138.200109.2N778 T782N778-E780 PolarHBondContact O-N 2.9Å; E780-T782 VanDerWaalsContact C-N 3.32Å; E780-T782 PolarHBondContact O-N 3.25Å
781V28.9Very low44.5Very low129 Ų129110 Ų11078%0.78256%0.563SS**  trans-66.489.8-176.7-1760000109.8L779 Q783L779-V781 WeakPolarHBondContact O-CG2 3.44Å; L779-V781 PolarHBondContact O-N 2.87Å; V781-Q783 PolarHBondContact O-N 3.26Å
782T32.4Very low47.5Very low83 Ų83103.6 Ų103.651%0.50953%0.534SS..  trans-56.4111.9170.3460000109.1E780 T784E780-T782 VanDerWaalsContact C-N 3.32Å; E780-T782 PolarHBondContact O-N 3.25Å; T782-T784 PolarHBondContact O-N 3.44Å
783Q39.4Very low50.4Low143 Ų14397.9 Ų97.967%0.66850%0.503SS*.  trans-64.1101.7176.2-70.2-174.6-5900109.8V781 I785V781-Q783 PolarHBondContact O-N 3.26Å; Q783-I785 PolarHBondContact O-N 2.9Å
784T44.9Very low53.4Low81 Ų8189.6 Ų89.650%0.49747%0.465SS..  trans-63.6101.1174.1-55.40000109.7L629 T782 I786L629-T784 HydrophobicContact CB-CG2 3.93Å; L629-T784 HydrophobicContact CD2-CG2 4.35Å; T782-T784 PolarHBondContact O-N 3.44Å; T784-I786 PolarHBondContact O-N 3.49Å; T784-I786 VanDerWaalsContact O-N 3.1Å
785I56Low56.2Low24 Ų2489 Ų8912%0.12346%0.462CS..  trans-69.1108.8171.8-53175.2000107.9Q783 M787 E812 A815 L816Q783-I785 PolarHBondContact O-N 2.9Å; I785-M787 HydrophobicContact CB-CG 4.17Å; I785-M787 HydrophobicContact CG2-CG 3.68Å; I785-M787 PolarHBondContact O-N 3.41Å; I785-E812 HydrophobicContact CD1-CB 4.39Å; I785-E812 HydrophobicContact CD1-CG 3.86Å; I785-E812 VanDerWaalsContact CD1-O 3.26Å; I785-E812 WeakPolarHBondContact CD1-O 3.04Å; I785-A815 HydrophobicContact CD1-CB 3.72Å; I785-A815 HydrophobicContact CG1-CB 4.03Å; I785-L816 HydrophobicContact CD1-CG 4.35Å
786I59.2Low59.1Low88 Ų8884.6 Ų84.645%0.45144%0.436SS..  trans-73.177.4167.8-50.4-179.5000107.8T784 Q788 E789 H790T784-I786 PolarHBondContact O-N 3.49Å; T784-I786 VanDerWaalsContact O-N 3.1Å; I786-Q788 PolarHBondContact O-N 2.98Å; I786-E789 HydrophobicContact CG2-CB 4.41Å; I786-E789 HydrophobicContact CG2-CG 3.77Å; I786-E789 PolarHBondContact O-N 3.15Å; I786-E789 VanDerWaalsContact O-N 3.09Å; I786-H790 PolarHBondContact O-ND1 2.99Å
787M65.1Low62Low15 Ų1579.4 Ų79.47%0.07441%0.408CS..THydrogen-bonded Turntrans-57.9-21.3-171.7-75.6178.1-82.300113.4L629 I785 L816 L819 N1127 P1129 A1133L629-M787 HydrophobicContact CD1-CE 4.24Å; I785-M787 HydrophobicContact CB-CG 4.17Å; I785-M787 HydrophobicContact CG2-CG 3.68Å; I785-M787 PolarHBondContact O-N 3.41Å; M787-L816 HydrophobicContact CG-CD2 4.47Å; M787-L816 HydrophobicContact SD-CD2 3.61Å; M787-L819 HydrophobicContact CE-CD1 3.77Å; M787-L819 HydrophobicContact CE-CD2 3.81Å; M787-L819 HydrophobicContact CE-CG 4.44Å; M787-L819 HydrophobicContact SD-CD1 3.94Å; M787-N1127 PolarHBondContact O-ND2 3.46Å; M787-P1129 HydrophobicContact CG-CB 4.37Å; M787-A1133 HydrophobicContact SD-CB 3.79Å
788Q57.4Low64.9Low74 Ų7472.5 Ų72.535%0.34637%0.371SS..THydrogen-bonded Turntrans-74.9-23.4-179.2-61.5-176.40.300113.3Y625 I786 W791Y625-Q788 PolarHBondContact O-NE2 3.18Å; I786-Q788 PolarHBondContact O-N 2.98Å; Q788-W791 PolarHBondContact O-NE1 3.01Å
789E65Low67.8Low139 Ų13971.3 Ų71.365%0.6536%0.362SS*.THydrogen-bonded Turntrans-89.2-16.7-176.1-66.6177.8164.200113.6I786 W791I786-E789 HydrophobicContact CG2-CB 4.41Å; I786-E789 HydrophobicContact CG2-CG 3.77Å; I786-E789 PolarHBondContact O-N 3.15Å; I786-E789 VanDerWaalsContact O-N 3.09Å; E789-W791 PolarHBondContact O-N 3.22Å
790H76.8Confident70.7Confident52 Ų5265.7 Ų65.724%0.24133%0.331CS..  trans-79.544.8-170.4-71.467.7000114.1I786 M792 N1127 P1129I786-H790 PolarHBondContact O-ND1 2.99Å; H790-M792 HydrophobicContact CB-CE 4.42Å; H790-N1127 WeakPolarHBondContact O-CB 3.18Å; H790-N1127 PolarHBondContact O-ND2 3.24Å; H790-P1129 HydrophobicContact CB-CG 4.41Å
791W88.8Confident73.7Confident52 Ų5257.2 Ų57.220%0.19729%0.292CS..  trans-88109.4175.5-67.597.3000111.5H621 Q788 E789 W1115 K1125 N1127 L1130H621-W791 HydrophobicContact CB-CH2 4.43Å; H621-W791 HydrophobicContact CB-CZ2 4.36Å; H621-W791 AromaticContact CE1-CE3 3.8Å; H621-W791 AromaticContact CE1-CZ3 3.46Å; H621-W791 VanDerWaalsContact CE1-CZ3 3.46Å; H621-W791 WeakPolarHBondContact CE1-CZ3 3.48Å; H621-W791 AromaticContact ND1-CD2 3.89Å; H621-W791 AromaticContact ND1-CE3 3.36Å; H621-W791 AromaticContact ND1-CH2 3.33Å; H621-W791 VanDerWaalsContact ND1-CH2 3.33Å; H621-W791 WeakPolarHBondContact ND1-CH2 3.45Å; H621-W791 AromaticContact ND1-CZ2 3.86Å; H621-W791 AromaticContact ND1-CZ3 3.08Å; H621-W791 WeakPolarHBondContact ND1-CZ3 3.47Å; Q788-W791 PolarHBondContact O-NE1 3.01Å; E789-W791 PolarHBondContact O-N 3.22Å; W791-W1115 AromaticContact CH2-CH2 3.45Å; W791-W1115 HydrophobicContact CH2-CH2 3.45Å; W791-W1115 VanDerWaalsContact CH2-CH2 3.45Å; W791-W1115 AromaticContact CH2-CZ2 3.51Å; W791-W1115 HydrophobicContact CH2-CZ2 3.51Å; W791-W1115 HydrophobicContact CH2-CZ3 4.34Å; W791-W1115 AromaticContact CZ3-CH2 3.69Å; W791-W1115 HydrophobicContact CZ3-CH2 3.69Å; W791-W1115 AromaticContact CZ3-CZ2 3.49Å; W791-W1115 HydrophobicContact CZ3-CZ2 3.49Å; W791-W1115 VanDerWaalsContact CZ3-CZ2 3.49Å; W791-W1115 HydrophobicContact CZ3-CZ3 4.33Å; W791-K1125 HydrophobicContact CB-CD 4.43Å; W791-N1127 HydrophobicContact CD2-CB 3.85Å; W791-N1127 HydrophobicContact CE3-CB 3.73Å; W791-N1127 HydrophobicContact CG-CB 4.39Å; W791-N1127 HydrophobicContact CH2-CB 4.44Å; W791-N1127 HydrophobicContact CZ3-CB 4.03Å; W791-L1130 HydrophobicContact CZ2-CD2 4.09Å
792M92.5Very high76.7Confident15 Ų1555.5 Ų55.57%0.07428%0.275CS..BIsolated β-bridgetrans-122.5131.9-172.4-66171.6-83.500111.7H790 E796 L797 H800 K1125 I1126H790-M792 HydrophobicContact CB-CE 4.42Å; M792-E796 WeakPolarHBondContact CA-OE2 3.4Å; M792-E796 HydrophobicContact CB-CB 3.89Å; M792-E796 HydrophobicContact CG-CB 4.13Å; M792-L797 HydrophobicContact CB-CB 4.33Å; M792-L797 HydrophobicContact CB-CD1 4.42Å; M792-L797 HydrophobicContact CE-CD1 4.04Å; M792-L797 HydrophobicContact SD-CD1 4.04Å; M792-H800 HydrophobicContact SD-CB 3.53Å; M792-H800 VanDerWaalsContact SD-CB 3.53Å; M792-K1125 WeakPolarHBondContact O-CA 3.42Å; M792-I1126 PolarHBondContact N-O 3.41Å; M792-I1126 WeakPolarHBondContact O-CG1 3.48Å; M792-I1126 PolarHBondContact O-N 3.14Å
793N93.9Very high79.5Confident33 Ų3357.1 Ų57.118%0.17628%0.281CS..  trans-77.8168.8162.582.664.6000110.7N795 E796 L797 E1123 H1124 K1125N793-N795 PolarHBondContact O-N 3.17Å; N793-N795 WeakPolarHBondContact OD1-CB 3.49Å; N793-N795 PolarHBondContact OD1-N 3.11Å; N793-E796 PolarHBondContact N-OE2 2.84Å; N793-E796 WeakPolarHBondContact ND2-CG 3.31Å; N793-E796 PolarHBondContact ND2-OE1 3.09Å; N793-E796 VanDerWaalsContact ND2-OE1 3.11Å; N793-E796 PolarHBondContact ND2-OE2 3.21Å; N793-E796 PolarHBondContact O-N 3.2Å; N793-E796 PolarHBondContact OD1-N 2.99Å; N793-L797 WeakPolarHBondContact O-CB 3.43Å; N793-L797 PolarHBondContact O-N 3.37Å; N793-E1123 VanDerWaalsContact CB-O 3.24Å; N793-E1123 WeakPolarHBondContact CB-O 3.34Å; N793-H1124 WeakPolarHBondContact CA-O 3.4Å; N793-K1125 HydrophobicContact CB-CG 4.05Å
794P94.4Very high81.8Confident6 Ų652.7 Ų52.74%0.03926%0.263CS..Hα-helixtrans-58.2-24.8-175.4-29.137.8000116.3V798 L1116 A1160 L1165 L1166P794-V798 PolarHBondContact O-N 3.14Å; P794-L1116 HydrophobicContact CG-CD2 3.94Å; P794-A1160 HydrophobicContact CB-CB 3.9Å; P794-A1160 HydrophobicContact CG-CB 4.03Å; P794-L1165 HydrophobicContact CG-CB 4.12Å; P794-L1166 HydrophobicContact CB-CB 4.01Å; P794-L1166 HydrophobicContact CB-CD1 4.42Å; P794-L1166 HydrophobicContact CB-CD2 4.31Å; P794-L1166 HydrophobicContact CB-CG 4.48Å
795N93.9Very high84Confident61 Ų6149.7 Ų49.733%0.32625%0.249SC..Hα-helixtrans-82-39.9173.9-65.4-100.2000111.5N793 L797 V798 Q799 K1170N793-N795 PolarHBondContact O-N 3.17Å; N793-N795 WeakPolarHBondContact OD1-CB 3.49Å; N793-N795 PolarHBondContact OD1-N 3.11Å; N795-L797 VanDerWaalsContact C-N 3.26Å; N795-L797 PolarHBondContact O-N 3.5Å; N795-V798 PolarHBondContact O-N 3.44Å; N795-Q799 PolarHBondContact O-N 3.38Å; N795-K1170 PolarHBondContact OD1-NZ 2.91Å
796E93.9Very high85.6Confident65 Ų6550.9 Ų50.930%0.30426%0.255SS..Hα-helixtrans-63-35173-71.1159.8175.300110.9M792 N793 Q799 H800 K1125M792-E796 WeakPolarHBondContact CA-OE2 3.4Å; M792-E796 HydrophobicContact CB-CB 3.89Å; M792-E796 HydrophobicContact CG-CB 4.13Å; N793-E796 PolarHBondContact N-OE2 2.84Å; N793-E796 WeakPolarHBondContact ND2-CG 3.31Å; N793-E796 PolarHBondContact ND2-OE1 3.09Å; N793-E796 VanDerWaalsContact ND2-OE1 3.11Å; N793-E796 PolarHBondContact ND2-OE2 3.21Å; N793-E796 PolarHBondContact O-N 3.2Å; N793-E796 PolarHBondContact OD1-N 2.99Å; E796-Q799 PolarHBondContact O-N 3.36Å; E796-H800 WeakPolarHBondContact O-CB 3.3Å; E796-H800 PolarHBondContact O-N 3.35Å; E796-K1125 WeakPolarHBondContact OE2-CE 3.36Å
797L93.2Very high87.1Confident3 Ų352 Ų522%0.01627%0.266CS..Hα-helixtrans-67.4-38.1176.8-168.569.3000112.8M792 N793 N795 I801 I1128 Y1153 I1156 I1157M792-L797 HydrophobicContact CB-CB 4.33Å; M792-L797 HydrophobicContact CB-CD1 4.42Å; M792-L797 HydrophobicContact CE-CD1 4.04Å; M792-L797 HydrophobicContact SD-CD1 4.04Å; N793-L797 WeakPolarHBondContact O-CB 3.43Å; N793-L797 PolarHBondContact O-N 3.37Å; N795-L797 VanDerWaalsContact C-N 3.26Å; N795-L797 PolarHBondContact O-N 3.5Å; L797-I801 WeakPolarHBondContact O-CG1 3.42Å; L797-I801 PolarHBondContact O-N 3Å; L797-I1128 HydrophobicContact CD1-CD1 3.87Å; L797-I1128 HydrophobicContact CD2-CD1 4.29Å; L797-Y1153 HydrophobicContact CD1-CD1 3.72Å; L797-Y1153 HydrophobicContact CD1-CE1 3.49Å; L797-Y1153 VanDerWaalsContact CD1-CE1 3.49Å; L797-Y1153 HydrophobicContact CG-CD1 4.28Å; L797-Y1153 HydrophobicContact CG-CE1 4.48Å; L797-I1156 HydrophobicContact CD2-CG2 3.88Å; L797-I1157 HydrophobicContact CD2-CD1 4.32Å; L797-I1157 HydrophobicContact CD2-CG1 3.81Å; L797-I1157 HydrophobicContact CG-CD1 4.37Å; L797-I1157 HydrophobicContact CG-CG1 4.37Å
798V94.1Very high88.2Confident5 Ų552.3 Ų52.33%0.0327%0.273CS..Hα-helixtrans-64.2-47.5170.2160.40000110.2P794 N795 H800 I801 E802 I1157 L1166 A1174P794-V798 PolarHBondContact O-N 3.14Å; N795-V798 PolarHBondContact O-N 3.44Å; V798-H800 VanDerWaalsContact C-N 3.3Å; V798-H800 PolarHBondContact O-N 3.21Å; V798-I801 PolarHBondContact O-N 3.46Å; V798-E802 WeakPolarHBondContact O-CG 3.18Å; V798-E802 PolarHBondContact O-N 3.5Å; V798-I1157 HydrophobicContact CG2-CD1 4.19Å; V798-L1166 HydrophobicContact CG2-CD1 4.11Å; V798-L1166 HydrophobicContact CG2-CD2 3.66Å; V798-L1166 HydrophobicContact CG2-CG 4.47Å; V798-A1174 HydrophobicContact CB-CB 4.35Å; V798-A1174 HydrophobicContact CG1-CB 3.91Å; V798-A1174 HydrophobicContact CG2-CB 4.31Å
799Q92.5Very high89.9Confident107 Ų10748.8 Ų48.850%0.526%0.256SS..Hα-helixtrans-63.1-34.9178.9-170.3178.8-5.100112.4N795 E796 E802 N803N795-Q799 PolarHBondContact O-N 3.38Å; E796-Q799 PolarHBondContact O-N 3.36Å; Q799-E802 PolarHBondContact O-N 2.95Å; Q799-N803 WeakPolarHBondContact O-CB 3.35Å; Q799-N803 PolarHBondContact O-N 3.24Å; Q799-N803 PolarHBondContact O-ND2 2.91Å
800H92.8Very high91.2Very high27 Ų2744.6 Ų44.613%0.12524%0.239CC..Hα-helixtrans-60.8-47.6173.4-172.665.7000111.5M792 E796 V798 E802 N803 V804 E812 Y1153M792-H800 HydrophobicContact SD-CB 3.53Å; M792-H800 VanDerWaalsContact SD-CB 3.53Å; E796-H800 WeakPolarHBondContact O-CB 3.3Å; E796-H800 PolarHBondContact O-N 3.35Å; V798-H800 VanDerWaalsContact C-N 3.3Å; V798-H800 PolarHBondContact O-N 3.21Å; H800-E802 VanDerWaalsContact C-N 3.34Å; H800-E802 PolarHBondContact O-N 3.45Å; H800-N803 PolarHBondContact O-N 3.34Å; H800-V804 WeakPolarHBondContact O-CG2 3.34Å; H800-V804 PolarHBondContact O-N 2.88Å; H800-E812 IonicContact CD2-OE2 3.18Å; H800-E812 IonicContact CE1-OE2 2.9Å; H800-E812 PolarHBondContact CE1-OE2 2.87Å; H800-E812 IonicContact NE2-OE2 3.94Å; H800-E812 PolarHBondContact NE2-OE2 3.37Å; H800-Y1153 AromaticContact CD2-CE1 3.91Å
801I92.9Very high91.8Very high0 Ų044.4 Ų44.40%024%0.243CC..Hα-helixtrans-62.5-40.8176.2-65.8162.8000111.5L797 V798 N803 G805 L809 Y1153 I1157 A1174 L1178L797-I801 WeakPolarHBondContact O-CG1 3.42Å; L797-I801 PolarHBondContact O-N 3Å; V798-I801 PolarHBondContact O-N 3.46Å; I801-N803 VanDerWaalsContact C-N 3.32Å; I801-N803 PolarHBondContact O-N 3.36Å; I801-G805 VanDerWaalsContact O-CA 3.27Å; I801-G805 WeakPolarHBondContact O-CA 3.45Å; I801-G805 PolarHBondContact O-N 3.38Å; I801-L809 HydrophobicContact CG1-CD1 4.39Å; I801-Y1153 HydrophobicContact CD1-CD1 4.1Å; I801-Y1153 HydrophobicContact CG1-CD1 4.09Å; I801-I1157 HydrophobicContact CD1-CD1 3.23Å; I801-A1174 HydrophobicContact CB-CB 4.07Å; I801-A1174 HydrophobicContact CD1-CB 4.46Å; I801-A1174 HydrophobicContact CG2-CB 3.88Å; I801-A1174 WeakPolarHBondContact CG2-O 3.08Å; I801-L1178 HydrophobicContact CD1-CD1 4.06Å; I801-L1178 HydrophobicContact CG1-CD1 4.47Å; I801-L1178 HydrophobicContact CG2-CD1 4.05Å; I801-L1178 HydrophobicContact CG2-CD2 3.92Å; I801-L1178 HydrophobicContact CG2-CG 3.83Å
802E91.5Very high91.9Very high92 Ų9242.6 Ų42.643%0.4324%0.237SC..Hα-helixtrans-63.6-35.9175.4-70.4172.517300112.3V798 Q799 H800 A1174 L1177V798-E802 WeakPolarHBondContact O-CG 3.18Å; V798-E802 PolarHBondContact O-N 3.5Å; Q799-E802 PolarHBondContact O-N 2.95Å; H800-E802 VanDerWaalsContact C-N 3.34Å; H800-E802 PolarHBondContact O-N 3.45Å; E802-A1174 HydrophobicContact CG-CB 4.25Å; E802-L1177 HydrophobicContact CB-CD1 4.5Å; E802-L1177 HydrophobicContact CG-CD1 4.16Å
803N90.5Very high92Very high118 Ų11843 Ų4363%0.63124%0.238SC*.Hα-helixtrans-76.4-46.5178.9-71.9-20.7000113.4Q799 H800 I801Q799-N803 WeakPolarHBondContact O-CB 3.35Å; Q799-N803 PolarHBondContact O-N 3.24Å; Q799-N803 PolarHBondContact O-ND2 2.91Å; H800-N803 PolarHBondContact O-N 3.34Å; I801-N803 VanDerWaalsContact C-N 3.32Å; I801-N803 PolarHBondContact O-N 3.36Å
804V88.8Confident91.8Very high49 Ų4944.2 Ų44.230%0.29725%0.248SC..Hα-helixtrans-100.1-23.5-169.4-44.80000113.4H800 G808 L809H800-V804 WeakPolarHBondContact O-CG2 3.34Å; H800-V804 PolarHBondContact O-N 2.88Å; V804-G808 VanDerWaalsContact O-CA 3.27Å; V804-G808 WeakPolarHBondContact O-CA 3.3Å; V804-G808 PolarHBondContact O-N 3.22Å; V804-L809 HydrophobicContact CG2-CD2 3.98Å; V804-L809 HydrophobicContact CG2-CG 4.07Å
805G90.7Very high91.5Very high19 Ų1945 Ų4520%0.19626%0.255CS..Hα-helixtrans60.2-172-179.100000114.7I801 T807 G808 L809I801-G805 VanDerWaalsContact O-CA 3.27Å; I801-G805 WeakPolarHBondContact O-CA 3.45Å; I801-G805 PolarHBondContact O-N 3.38Å; G805-T807 VanDerWaalsContact C-N 3.29Å; G805-T807 PolarHBondContact O-N 3.44Å; G805-G808 PolarHBondContact O-N 2.84Å; G805-L809 PolarHBondContact O-N 2.99Å; G805-L809 VanDerWaalsContact O-N 3.16Å
806L90.8Very high91.2Very high49 Ų4942.1 Ų42.126%0.25724%0.24SC..Hα-helixtrans-60.5-38177.9-177.559.2000112.2N810 V1150 L1178L806-N810 PolarHBondContact O-N 3.02Å; L806-N810 VanDerWaalsContact O-N 3.08Å; L806-N810 PolarHBondContact O-ND2 3.4Å; L806-V1150 HydrophobicContact CD1-CG1 4.07Å; L806-V1150 HydrophobicContact CD1-CG2 3.84Å; L806-L1178 HydrophobicContact CB-CD2 4.39Å; L806-L1178 HydrophobicContact CD1-CD2 4.33Å
807T89.5Confident90.8Very high112 Ų11242.1 Ų42.169%0.68724%0.244SC*.Hα-helixtrans-63.9-46.7178.1-50.40000111.8G805 L809 N810 S811G805-T807 VanDerWaalsContact C-N 3.29Å; G805-T807 PolarHBondContact O-N 3.44Å; T807-L809 PolarHBondContact O-N 3Å; T807-N810 WeakPolarHBondContact O-CB 3.35Å; T807-N810 PolarHBondContact O-N 3.11Å; T807-N810 VanDerWaalsContact O-N 3.1Å; T807-S811 PolarHBondContact O-N 3.22Å; T807-S811 PolarHBondContact O-OG 2.92Å
808G88.5Confident90.3Very high20 Ų2047.9 Ų47.921%0.20627%0.271CS..Hα-helixtrans-63.7-40.5178.400000113V804 G805 N810 S811 E812V804-G808 VanDerWaalsContact O-CA 3.27Å; V804-G808 WeakPolarHBondContact O-CA 3.3Å; V804-G808 PolarHBondContact O-N 3.22Å; G805-G808 PolarHBondContact O-N 2.84Å; G808-N810 VanDerWaalsContact C-N 3.28Å; G808-N810 PolarHBondContact O-N 3.37Å; G808-S811 WeakPolarHBondContact O-CB 3.43Å; G808-S811 PolarHBondContact O-N 3.14Å; G808-S811 VanDerWaalsContact O-N 3.17Å; G808-E812 WeakPolarHBondContact O-CB 3.27Å; G808-E812 PolarHBondContact O-N 3.18Å
809L92.7Very high89.5Confident0 Ų049.8 Ų49.80%028%0.281CS..Hα-helixtrans-65.7-28.3173-65.5-176.5000113.2I801 V804 G805 T807 Y813 V1150 Y1153 L1178I801-L809 HydrophobicContact CG1-CD1 4.39Å; V804-L809 HydrophobicContact CG2-CD2 3.98Å; V804-L809 HydrophobicContact CG2-CG 4.07Å; G805-L809 PolarHBondContact O-N 2.99Å; G805-L809 VanDerWaalsContact O-N 3.16Å; T807-L809 PolarHBondContact O-N 3Å; L809-Y813 WeakPolarHBondContact O-CB 2.99Å; L809-Y813 PolarHBondContact O-N 3.35Å; L809-V1150 HydrophobicContact CB-CG2 3.94Å; L809-V1150 HydrophobicContact CD1-CG2 4.14Å; L809-Y1153 HydrophobicContact CD1-CD1 4.46Å; L809-Y1153 HydrophobicContact CD1-CG 4.29Å; L809-Y1153 HydrophobicContact CD2-CD1 4.29Å; L809-Y1153 HydrophobicContact CD2-CD2 4.39Å; L809-Y1153 HydrophobicContact CD2-CE1 3.92Å; L809-Y1153 HydrophobicContact CD2-CE2 4.07Å; L809-L1178 HydrophobicContact CD1-CD2 3.79Å
810N92.4Very high88.4Confident52 Ų5253.3 Ų53.328%0.27829%0.294SS..Hα-helixtrans-70.3-40.3171-74.6-55.5000111.7L806 T807 G808 S814 S1146L806-N810 PolarHBondContact O-N 3.02Å; L806-N810 VanDerWaalsContact O-N 3.08Å; L806-N810 PolarHBondContact O-ND2 3.4Å; T807-N810 WeakPolarHBondContact O-CB 3.35Å; T807-N810 PolarHBondContact O-N 3.11Å; T807-N810 VanDerWaalsContact O-N 3.1Å; G808-N810 VanDerWaalsContact C-N 3.28Å; G808-N810 PolarHBondContact O-N 3.37Å; N810-S814 WeakPolarHBondContact O-CB 3.35Å; N810-S814 PolarHBondContact O-N 2.81Å; N810-S814 PolarHBondContact O-OG 2.99Å; N810-S1146 WeakPolarHBondContact OD1-CB 3.41Å; N810-S1146 PolarHBondContact OD1-OG 3.47Å
811S89.6Confident87Confident48 Ų4854.5 Ų54.534%0.33630%0.302SS..Hα-helixtrans-64.7-43.7172.8-600000111.8T807 G808 Y813 S814 A815T807-S811 PolarHBondContact O-N 3.22Å; T807-S811 PolarHBondContact O-OG 2.92Å; G808-S811 WeakPolarHBondContact O-CB 3.43Å; G808-S811 PolarHBondContact O-N 3.14Å; G808-S811 VanDerWaalsContact O-N 3.17Å; S811-Y813 PolarHBondContact O-N 2.84Å; S811-S814 WeakPolarHBondContact O-CA 3.31Å; S811-S814 WeakPolarHBondContact O-CB 3.47Å; S811-S814 PolarHBondContact O-N 3.32Å; S811-A815 PolarHBondContact O-N 3.4Å
812E91.2Very high85.5Confident13 Ų1360.5 Ų60.56%0.06133%0.33CS..Hα-helixtrans-58.3-47.8177.8-162.9-173.486.700110.8I785 H800 G808 S814 L816 P1129 Y1149 Y1153I785-E812 HydrophobicContact CD1-CB 4.39Å; I785-E812 HydrophobicContact CD1-CG 3.86Å; I785-E812 VanDerWaalsContact CD1-O 3.26Å; I785-E812 WeakPolarHBondContact CD1-O 3.04Å; H800-E812 IonicContact CD2-OE2 3.18Å; H800-E812 IonicContact CE1-OE2 2.9Å; H800-E812 PolarHBondContact CE1-OE2 2.87Å; H800-E812 IonicContact NE2-OE2 3.94Å; H800-E812 PolarHBondContact NE2-OE2 3.37Å; G808-E812 WeakPolarHBondContact O-CB 3.27Å; G808-E812 PolarHBondContact O-N 3.18Å; E812-S814 VanDerWaalsContact C-N 3.31Å; E812-S814 PolarHBondContact O-N 3.08Å; E812-L816 WeakPolarHBondContact O-CG 3.4Å; E812-L816 PolarHBondContact O-N 2.87Å; E812-P1129 HydrophobicContact CG-CG 4.37Å; E812-Y1149 HydrophobicContact CB-CE1 4.41Å; E812-Y1149 HydrophobicContact CG-CE1 4.39Å; E812-Y1149 WeakPolarHBondContact OE1-CE1 3.02Å; E812-Y1149 VanDerWaalsContact OE1-CZ 3.22Å; E812-Y1149 PolarHBondContact OE1-OH 3.45Å; E812-Y1153 PolarHBondContact OE1-OH 3.42Å
813Y93.5Very high84.5Confident25 Ų2559.1 Ų59.110%0.09832%0.321CS..Hα-helixtrans-59.9-38.6171.1175.2-98.4000113.1L809 S811 L816 V817 V1143 Q1144 V1145 Y1149L809-Y813 WeakPolarHBondContact O-CB 2.99Å; L809-Y813 PolarHBondContact O-N 3.35Å; S811-Y813 PolarHBondContact O-N 2.84Å; Y813-L816 WeakPolarHBondContact O-CB 3.39Å; Y813-L816 PolarHBondContact O-N 3.07Å; Y813-V817 HydrophobicContact CD1-CG2 4.19Å; Y813-V817 HydrophobicContact CE1-CG2 3.53Å; Y813-V817 HydrophobicContact CE2-CG2 3.91Å; Y813-V817 WeakPolarHBondContact O-CG2 3.4Å; Y813-V817 PolarHBondContact O-N 2.98Å; Y813-V817 VanDerWaalsContact O-N 3.08Å; Y813-V817 WeakPolarHBondContact OH-CG2 3.39Å; Y813-V1143 HydrophobicContact CE2-CG1 4.15Å; Y813-V1143 PolarHBondContact OH-O 3.3Å; Y813-Q1144 PolarHBondContact OH-O 3.13Å; Y813-V1145 WeakPolarHBondContact OH-CA 3.17Å; Y813-V1145 PolarHBondContact OH-N 3.33Å; Y813-Y1149 HydrophobicContact CD2-CD1 4.43Å; Y813-Y1149 HydrophobicContact CD2-CD2 4.09Å; Y813-Y1149 AromaticContact CD2-CG 3.78Å; Y813-Y1149 HydrophobicContact CD2-CG 3.78Å; Y813-Y1149 HydrophobicContact CG-CG 4.33Å
814S90.2Very high83.9Confident57 Ų5757.5 Ų57.540%0.39932%0.316SS..Hα-helixtrans-67.3-42.3-175.2-61.40000112.2N810 S811 E812 V817 Q818N810-S814 WeakPolarHBondContact O-CB 3.35Å; N810-S814 PolarHBondContact O-N 2.81Å; N810-S814 PolarHBondContact O-OG 2.99Å; S811-S814 WeakPolarHBondContact O-CA 3.31Å; S811-S814 WeakPolarHBondContact O-CB 3.47Å; S811-S814 PolarHBondContact O-N 3.32Å; E812-S814 VanDerWaalsContact C-N 3.31Å; E812-S814 PolarHBondContact O-N 3.08Å; S814-V817 WeakPolarHBondContact O-CB 3.32Å; S814-V817 PolarHBondContact O-N 3.4Å; S814-V817 VanDerWaalsContact O-N 3.14Å; S814-Q818 WeakPolarHBondContact O-CG 3.2Å; S814-Q818 PolarHBondContact O-N 3.28Å
815A87.6Confident83.7Confident22 Ų2258.1 Ų58.118%0.18232%0.315CS..Hα-helixtrans-69.5-34.7173.800000112.3I785 S811 V817 Q818 L819I785-A815 HydrophobicContact CD1-CB 3.72Å; I785-A815 HydrophobicContact CG1-CB 4.03Å; S811-A815 PolarHBondContact O-N 3.4Å; A815-V817 PolarHBondContact O-N 3.05Å; A815-Q818 PolarHBondContact O-N 3.4Å; A815-L819 PolarHBondContact O-N 2.77Å
816L87.7Confident83.3Confident2 Ų262.3 Ų62.31%0.0133%0.332CS..Hα-helixtrans-61.3-20.7169.5-70.4171.5000113.7I785 M787 E812 Y813 L819 P1129 V1132 A1133 R1136 Y1149I785-L816 HydrophobicContact CD1-CG 4.35Å; M787-L816 HydrophobicContact CG-CD2 4.47Å; M787-L816 HydrophobicContact SD-CD2 3.61Å; E812-L816 WeakPolarHBondContact O-CG 3.4Å; E812-L816 PolarHBondContact O-N 2.87Å; Y813-L816 WeakPolarHBondContact O-CB 3.39Å; Y813-L816 PolarHBondContact O-N 3.07Å; L816-L819 HydrophobicContact CD2-CD1 4Å; L816-P1129 HydrophobicContact CD1-CB 4.21Å; L816-P1129 HydrophobicContact CD2-CB 4.32Å; L816-V1132 HydrophobicContact CD1-CG1 4.41Å; L816-A1133 HydrophobicContact CD2-CB 4.12Å; L816-R1136 PolarHBondContact O-NE 3.43Å; L816-R1136 VanDerWaalsContact O-NE 3.14Å; L816-Y1149 HydrophobicContact CD1-CD2 4.36Å; L816-Y1149 HydrophobicContact CD1-CE1 4.47Å; L816-Y1149 HydrophobicContact CD1-CE2 3.47Å; L816-Y1149 VanDerWaalsContact CD1-CE2 3.47Å; L816-Y1149 WeakPolarHBondContact CD1-OH 3.36Å
817V86.2Confident83Confident65 Ų6560 Ų6039%0.39432%0.32SS..Hα-helixtrans-83.4-30.5172171.20000112.7Y813 S814 A815 L819Y813-V817 HydrophobicContact CD1-CG2 4.19Å; Y813-V817 HydrophobicContact CE1-CG2 3.53Å; Y813-V817 HydrophobicContact CE2-CG2 3.91Å; Y813-V817 WeakPolarHBondContact O-CG2 3.4Å; Y813-V817 PolarHBondContact O-N 2.98Å; Y813-V817 VanDerWaalsContact O-N 3.08Å; Y813-V817 WeakPolarHBondContact OH-CG2 3.39Å; S814-V817 WeakPolarHBondContact O-CB 3.32Å; S814-V817 PolarHBondContact O-N 3.4Å; S814-V817 VanDerWaalsContact O-N 3.14Å; A815-V817 PolarHBondContact O-N 3.05Å; V817-L819 VanDerWaalsContact C-N 3.32Å; V817-L819 PolarHBondContact O-N 2.8Å
818Q82.7Confident83Confident124 Ų12455.3 Ų55.358%0.57929%0.29SS*.Hα-helixtrans-74.8-17.4179.4-68.4171.8-6.400113.7S814 A815 K820S814-Q818 WeakPolarHBondContact O-CG 3.2Å; S814-Q818 PolarHBondContact O-N 3.28Å; A815-Q818 PolarHBondContact O-N 3.4Å; Q818-K820 PolarHBondContact O-N 2.93Å
819L78.2Confident82.9Confident45 Ų4560.1 Ų60.124%0.23631%0.305CS..  trans-55.2118.9175.5-63177.3000112L629 M787 A815 L816 V817 A1133L629-L819 HydrophobicContact CD2-CD2 4.3Å; M787-L819 HydrophobicContact CE-CD1 3.77Å; M787-L819 HydrophobicContact CE-CD2 3.81Å; M787-L819 HydrophobicContact CE-CG 4.44Å; M787-L819 HydrophobicContact SD-CD1 3.94Å; A815-L819 PolarHBondContact O-N 2.77Å; L816-L819 HydrophobicContact CD2-CD1 4Å; V817-L819 VanDerWaalsContact C-N 3.32Å; V817-L819 PolarHBondContact O-N 2.8Å; L819-A1133 HydrophobicContact CD1-CB 4.02Å
820K68.3Low82.5Confident180 Ų18062.4 Ų62.478%0.78332%0.316SS*.  trans-82.9126.3176.6-66179.2-178.1174.50110.5Q818Q818-K820 PolarHBondContact O-N 2.93Å
821N64.5Low81.9Confident53 Ų5365 Ų6528%0.28333%0.328SS..  trans-113.4105.6171.2-67.5-26.5000108.8Y823 R1136 S1137N821-Y823 HydrophobicContact CB-CD2 3.98Å; N821-Y823 HydrophobicContact CB-CE2 4.15Å; N821-Y823 PolarHBondContact O-N 3.07Å; N821-R1136 PolarHBondContact ND2-O 2.88Å; N821-S1137 WeakPolarHBondContact ND2-CA 3.11Å
822E61.1Low81.6Confident126 Ų12667.8 Ų67.859%0.58934%0.339SS*.  trans-85.651.3-170.7-60.1-159.2-150.300113.3Y717Y717-E822 VanDerWaalsContact OH-CD 3.27Å; Y717-E822 PolarHBondContact OH-OE1 2.98Å; Y717-E822 PolarHBondContact OH-OE2 3.06Å
823Y69.3Low81.5Confident62 Ų6267.2 Ų67.224%0.24334%0.336CS..  trans-90.8138.8177.6-64.8-61000113.6N821 H825 H845 A847 S1137N821-Y823 HydrophobicContact CB-CD2 3.98Å; N821-Y823 HydrophobicContact CB-CE2 4.15Å; N821-Y823 PolarHBondContact O-N 3.07Å; Y823-H825 PolarHBondContact O-CE1 3.37Å; Y823-H825 PolarHBondContact O-ND1 3.31Å; Y823-H845 WeakPolarHBondContact CB-ND1 3.43Å; Y823-H845 HydrophobicContact CD2-CB 4.5Å; Y823-H845 AromaticContact CD2-CD2 3.76Å; Y823-H845 AromaticContact CD2-CE1 3.93Å; Y823-H845 AromaticContact CD2-CG 3.91Å; Y823-H845 AromaticContact CD2-NE2 3.82Å; Y823-H845 HydrophobicContact CG-CB 4.44Å; Y823-A847 HydrophobicContact CD1-CB 3.89Å; Y823-A847 HydrophobicContact CE1-CB 4.18Å; Y823-S1137 WeakPolarHBondContact CE2-O 3.33Å
824T78.3Confident81.2Confident84 Ų8473 Ų7352%0.51536%0.358SS..  trans-60.7155169.752.60000112.5D846T824-D846 PolarHBondContact O-N 2.78Å
825H83.8Confident81.1Confident63 Ų6373.3 Ų73.329%0.29236%0.361SS..  trans-155.735.4-172.946.7-103.6000110.5Y823 F828 K829 I843 D846Y823-H825 PolarHBondContact O-CE1 3.37Å; Y823-H825 PolarHBondContact O-ND1 3.31Å; H825-F828 HydrophobicContact CB-CB 4.28Å; H825-F828 HydrophobicContact CB-CD1 4.46Å; H825-F828 PolarHBondContact O-N 3.32Å; H825-K829 VanDerWaalsContact CD2-CD 3.48Å; H825-K829 WeakPolarHBondContact CD2-CD 3.32Å; H825-K829 WeakPolarHBondContact CD2-CE 3.49Å; H825-K829 PolarHBondContact CD2-NZ 3.45Å; H825-K829 PolarHBondContact O-N 3.27Å; H825-I843 HydrophobicContact CB-CG2 3.71Å; H825-D846 VanDerWaalsContact C-OD2 3.24Å; H825-D846 VanDerWaalsContact CA-OD2 3.25Å; H825-D846 WeakPolarHBondContact CA-OD2 3.49Å; H825-D846 PolarHBondContact N-OD2 2.83Å
826I82.4Confident81.4Confident107 Ų10773.7 Ų73.755%0.54936%0.358SS..Hα-helixtrans-59.6-47.8178.3-54.8171.9000109.5F828 K829 H830 D846 L900I826-F828 VanDerWaalsContact C-N 3.29Å; I826-F828 PolarHBondContact O-N 3.02Å; I826-K829 PolarHBondContact O-N 2.85Å; I826-H830 WeakPolarHBondContact O-CB 3.41Å; I826-H830 PolarHBondContact O-N 3.36Å; I826-D846 WeakPolarHBondContact CA-OD2 3.44Å; I826-D846 PolarHBondContact N-OD2 3.44Å; I826-L900 HydrophobicContact CG2-CD2 4.16Å
827A85.9Confident81.6Confident0 Ų073.9 Ų73.90%036%0.359CS..Hα-helixtrans-64.1-36.6179.200000111.9N833 D846 L900 Y904A827-N833 VanDerWaalsContact O-CB 3.25Å; A827-N833 WeakPolarHBondContact O-CB 3.14Å; A827-N833 PolarHBondContact O-ND2 3.34Å; A827-D846 WeakPolarHBondContact CB-OD1 3.17Å; A827-D846 PolarHBondContact N-OD1 3.09Å; A827-D846 PolarHBondContact N-OD2 2.63Å; A827-D846 VanDerWaalsContact N-OD2 3.16Å; A827-L900 HydrophobicContact CB-CD1 3.61Å; A827-L900 HydrophobicContact CB-CG 4.11Å; A827-Y904 HydrophobicContact CB-CD2 3.59Å; A827-Y904 HydrophobicContact CB-CE2 3.94Å; A827-Y904 HydrophobicContact CB-CG 4.49Å
828F89.6Confident82Confident14 Ų1471.8 Ų71.86%0.06134%0.344CS..Hα-helixtrans-67.8-42.1176.1170.8-102.3000113H825 I826 N837 V842 I843 C844 H906H825-F828 HydrophobicContact CB-CB 4.28Å; H825-F828 HydrophobicContact CB-CD1 4.46Å; H825-F828 PolarHBondContact O-N 3.32Å; I826-F828 VanDerWaalsContact C-N 3.29Å; I826-F828 PolarHBondContact O-N 3.02Å; F828-N837 WeakPolarHBondContact CD2-ND2 3.46Å; F828-N837 HydrophobicContact CE2-CB 4.16Å; F828-N837 WeakPolarHBondContact CE2-ND2 3.31Å; F828-N837 PolarHBondContact O-ND2 3.19Å; F828-N837 VanDerWaalsContact O-ND2 3.1Å; F828-V842 WeakPolarHBondContact CE2-O 3.21Å; F828-V842 VanDerWaalsContact CZ-O 3.23Å; F828-V842 WeakPolarHBondContact CZ-O 3.42Å; F828-I843 HydrophobicContact CD1-CG2 4.45Å; F828-I843 HydrophobicContact CE1-CB 4.46Å; F828-I843 HydrophobicContact CE1-CG1 4.13Å; F828-C844 HydrophobicContact CB-CB 4.15Å; F828-C844 HydrophobicContact CD2-CB 4.01Å; F828-C844 HydrophobicContact CG-CB 4.34Å; F828-H906 AromaticContact CD2-CD2 3.79Å; F828-H906 AromaticContact CD2-NE2 3.79Å; F828-H906 AromaticContact CE2-CD2 3.77Å; F828-H906 AromaticContact CE2-NE2 3.56Å
829K85.4Confident82.4Confident121 Ų12166.7 Ų66.753%0.52632%0.32SS..Hα-helixtrans-76.3-22.8179.2-78.5-174.9178.2164.40113.7H825 I826 I831 R834H825-K829 VanDerWaalsContact CD2-CD 3.48Å; H825-K829 WeakPolarHBondContact CD2-CD 3.32Å; H825-K829 WeakPolarHBondContact CD2-CE 3.49Å; H825-K829 PolarHBondContact CD2-NZ 3.45Å; H825-K829 PolarHBondContact O-N 3.27Å; I826-K829 PolarHBondContact O-N 2.85Å; K829-I831 PolarHBondContact O-N 2.97Å; K829-R834 PolarHBondContact O-NE 2.85Å; K829-R834 PolarHBondContact O-NH2 3.27Å
830H84.1Confident82.8Confident47 Ų4768.2 Ų68.222%0.21833%0.333CS..SBendtrans-53.8133.8-176.2-172.7-94.9000112.5I826 L832 N833 R834 L900 V901I826-H830 WeakPolarHBondContact O-CB 3.41Å; I826-H830 PolarHBondContact O-N 3.36Å; H830-L832 VanDerWaalsContact C-N 3.33Å; H830-L832 PolarHBondContact O-N 3.22Å; H830-N833 PolarHBondContact O-N 3.07Å; H830-R834 PolarHBondContact O-N 3.01Å; H830-L900 HydrophobicContact CB-CD2 4.26Å; H830-V901 WeakPolarHBondContact CE1-CG2 3.48Å; H830-V901 WeakPolarHBondContact ND1-CG2 3.05Å
831I80.2Confident83.6Confident106 Ų10662.2 Ų62.254%0.54431%0.31SS..G310 helixtrans-60.1-39.3-163.8-166.7166.5000113.6K829 N833 R834K829-I831 PolarHBondContact O-N 2.97Å; I831-N833 VanDerWaalsContact C-N 3.32Å; I831-N833 PolarHBondContact O-N 2.6Å; I831-R834 WeakPolarHBondContact O-CB 3.39Å; I831-R834 PolarHBondContact O-N 2.95Å
832L83.9Confident84.8Confident108 Ų10860 Ų6057%0.56530%0.298SS*.G310 helixtrans-74.6-17.7178.6-58.7-178.5000113.7H830 S835 V901H830-L832 VanDerWaalsContact C-N 3.33Å; H830-L832 PolarHBondContact O-N 3.22Å; L832-S835 PolarHBondContact O-OG 3.4Å; L832-V901 HydrophobicContact CB-CG1 3.84Å; L832-V901 HydrophobicContact CB-CG2 3.79Å; L832-V901 HydrophobicContact CD1-CG1 4.31Å; L832-V901 HydrophobicContact CD1-CG2 4.2Å; L832-V901 HydrophobicContact CG-CG2 4.49Å
833N89.5Confident86.2Confident0 Ų055.7 Ų55.70%028%0.279CS..G310 helixtrans-88.9-14.2176.9-71.2-17.6000112.6A827 H830 I831 S835 K836 N837 L900 V901 Y904A827-N833 VanDerWaalsContact O-CB 3.25Å; A827-N833 WeakPolarHBondContact O-CB 3.14Å; A827-N833 PolarHBondContact O-ND2 3.34Å; H830-N833 PolarHBondContact O-N 3.07Å; I831-N833 VanDerWaalsContact C-N 3.32Å; I831-N833 PolarHBondContact O-N 2.6Å; N833-S835 PolarHBondContact O-N 2.98Å; N833-K836 WeakPolarHBondContact O-CA 3.48Å; N833-K836 WeakPolarHBondContact O-CB 3.49Å; N833-K836 PolarHBondContact O-N 3.48Å; N833-N837 PolarHBondContact O-N 2.84Å; N833-N837 PolarHBondContact O-ND2 3.03Å; N833-N837 PolarHBondContact O-OD1 2.83Å; N833-L900 PolarHBondContact ND2-O 3.11Å; N833-V901 WeakPolarHBondContact OD1-CA 3.18Å; N833-Y904 HydrophobicContact CB-CD1 3.7Å; N833-Y904 HydrophobicContact CB-CE1 3.98Å; N833-Y904 HydrophobicContact CB-CG 4.3Å; N833-Y904 VanDerWaalsContact CG-CD1 3.49Å; N833-Y904 WeakPolarHBondContact ND2-CB 3.42Å
834R87Confident87.3Confident147 Ų14752.8 Ų52.856%0.55527%0.267SS*.G310 helixtrans-59.2-29.5177.5-62.6178.7-174.2179.32.5113.1K829 H830 I831 K836 N837 R1206K829-R834 PolarHBondContact O-NE 2.85Å; K829-R834 PolarHBondContact O-NH2 3.27Å; H830-R834 PolarHBondContact O-N 3.01Å; I831-R834 WeakPolarHBondContact O-CB 3.39Å; I831-R834 PolarHBondContact O-N 2.95Å; R834-K836 VanDerWaalsContact C-N 3.3Å; R834-N837 PolarHBondContact O-N 3.07Å; R834-R1206 PolarHBondContact O-NH1 2.99Å
835S87.2Confident87.8Confident64 Ų6448.9 Ų48.945%0.44824%0.243SC..G310 helixtrans-71-21.1173.1560000113.3L832 N833 R1206L832-S835 PolarHBondContact O-OG 3.4Å; N833-S835 PolarHBondContact O-N 2.98Å; S835-R1206 PolarHBondContact O-NH1 2.87Å; S835-R1206 PolarHBondContact O-NH2 3.25Å
836K93.3Very high87.8Confident30 Ų3046.6 Ų46.613%0.1323%0.233CC..G310 helixtrans-85.3-12.6173.9-58.2-170176.7-159.20113.6N833 R834 V901 Y904 Q923 L926 T929 D932N833-K836 WeakPolarHBondContact O-CA 3.48Å; N833-K836 WeakPolarHBondContact O-CB 3.49Å; N833-K836 PolarHBondContact O-N 3.48Å; R834-K836 VanDerWaalsContact C-N 3.3Å; K836-V901 PolarHBondContact NZ-O 3.45Å; K836-Y904 HydrophobicContact CB-CD1 4.4Å; K836-Y904 HydrophobicContact CB-CE1 4.38Å; K836-Y904 HydrophobicContact CD-CD1 4.07Å; K836-Y904 VanDerWaalsContact CD-O 3.32Å; K836-Y904 WeakPolarHBondContact CD-O 3.47Å; K836-Y904 PolarHBondContact NZ-O 3.38Å; K836-Q923 PolarHBondContact O-NE2 3.34Å; K836-L926 WeakPolarHBondContact O-CD1 3.21Å; K836-T929 HydrophobicContact CB-CG2 3.83Å; K836-T929 HydrophobicContact CG-CG2 4.07Å; K836-D932 WeakPolarHBondContact CE-OD2 3.36Å; K836-D932 IonicContact NZ-OD2 2.64Å; K836-D932 PolarHBondContact NZ-OD2 3.25Å
837N93.6Very high88Confident6 Ų644.6 Ų44.63%0.03223%0.233CC..  trans-100.7112.3-173.2-58.2-17.7000112.3F828 N833 R834 Y839 Y904 H906 R1206F828-N837 WeakPolarHBondContact CD2-ND2 3.46Å; F828-N837 HydrophobicContact CE2-CB 4.16Å; F828-N837 WeakPolarHBondContact CE2-ND2 3.31Å; F828-N837 PolarHBondContact O-ND2 3.19Å; F828-N837 VanDerWaalsContact O-ND2 3.1Å; N833-N837 PolarHBondContact O-N 2.84Å; N833-N837 PolarHBondContact O-ND2 3.03Å; N833-N837 PolarHBondContact O-OD1 2.83Å; R834-N837 PolarHBondContact O-N 3.07Å; N837-Y839 PolarHBondContact O-N 3.2Å; N837-Y904 VanDerWaalsContact OD1-CE1 3.32Å; N837-Y904 WeakPolarHBondContact OD1-CE1 3.4Å; N837-Y904 PolarHBondContact OD1-OH 3.41Å; N837-H906 PolarHBondContact OD1-CD2 3.42Å; N837-R1206 VanDerWaalsContact C-NH1 3.34Å; N837-R1206 VanDerWaalsContact O-CD 3.27Å; N837-R1206 WeakPolarHBondContact O-CD 3.42Å; N837-R1206 PolarHBondContact O-NH1 2.78Å
838R93.4Very high88.1Confident21 Ų2145.7 Ų45.78%0.07924%0.239CC..SBendtrans-60-32.6-178.5179.9178-74.7-88.7-2.4112.7Q923 G924 P925 L926 S957 K958 S1097R838-Q923 VanDerWaalsContact CB-OE1 3.29Å; R838-G924 PolarHBondContact NE-O 2.91Å; R838-G924 PolarHBondContact NH2-O 3.27Å; R838-P925 PolarHBondContact NH2-O 3.14Å; R838-L926 HydrophobicContact CB-CD1 4.39Å; R838-L926 HydrophobicContact CB-CD2 4.02Å; R838-L926 HydrophobicContact CB-CG 4.32Å; R838-L926 HydrophobicContact CG-CD2 4.15Å; R838-S957 PolarHBondContact NH1-O 3.15Å; R838-S957 PolarHBondContact NH1-OG 2.78Å; R838-S957 VanDerWaalsContact NH1-OG 3.09Å; R838-K958 PolarHBondContact NE-O 3.42Å; R838-K958 PolarHBondContact NH1-O 3.5Å; R838-S1097 WeakPolarHBondContact CD-O 3.32Å
839Y91.1Very high88.3Confident16 Ų1645.5 Ų45.56%0.06324%0.238CC..BIsolated β-bridgetrans-128.7142.9-178.4-63.9-73.2000109.3N837 D841 V842 S1097 A1098 S1203 P1205N837-Y839 PolarHBondContact O-N 3.2Å; Y839-D841 WeakPolarHBondContact CB-OD1 3.43Å; Y839-V842 HydrophobicContact CD2-CG2 4.31Å; Y839-V842 HydrophobicContact CG-CG2 4.11Å; Y839-S1097 PolarHBondContact OH-OG 3.48Å; Y839-A1098 HydrophobicContact CD2-CB 3.8Å; Y839-A1098 HydrophobicContact CE2-CB 3.84Å; Y839-S1203 VanDerWaalsContact CD1-C 3.5Å; Y839-S1203 WeakPolarHBondContact CD1-O 3.49Å; Y839-S1203 WeakPolarHBondContact CD1-OG 3.48Å; Y839-S1203 VanDerWaalsContact CE1-O 3.23Å; Y839-S1203 WeakPolarHBondContact CE1-O 3.3Å; Y839-S1203 VanDerWaalsContact CE1-OG 3.22Å; Y839-S1203 WeakPolarHBondContact CE1-OG 3.3Å; Y839-P1205 HydrophobicContact CE1-CB 4.36Å
840C87.5Confident88.6Confident77 Ų7739.7 Ų39.752%0.5221%0.213SC..SBendtrans-96.1-8.6-175.553.30000114.7
841D84.6Confident88.9Confident55 Ų5539.1 Ų39.129%0.29421%0.209SC..SBendtrans-105.8-25-179.741.817.3000112.7Y839 I843 S1203 L1204Y839-D841 WeakPolarHBondContact CB-OD1 3.43Å; D841-I843 PolarHBondContact O-N 3.36Å; D841-S1203 WeakPolarHBondContact OD2-CA 3.46Å; D841-L1204 PolarHBondContact OD1-N 2.87Å; D841-L1204 VanDerWaalsContact OD2-CB 3.31Å; D841-L1204 WeakPolarHBondContact OD2-CB 3.07Å; D841-L1204 PolarHBondContact OD2-N 3.21Å
842V90.2Very high89.4Confident5 Ų534.2 Ų34.23%0.0318%0.184CC..SBendtrans-74.492.9172.5-177.30000109.7F828 Y839 H906 A1098 I1100F828-V842 WeakPolarHBondContact CE2-O 3.21Å; F828-V842 VanDerWaalsContact CZ-O 3.23Å; F828-V842 WeakPolarHBondContact CZ-O 3.42Å; Y839-V842 HydrophobicContact CD2-CG2 4.31Å; Y839-V842 HydrophobicContact CG-CG2 4.11Å; V842-H906 PolarHBondContact O-NE2 3.26Å; V842-A1098 HydrophobicContact CG1-CB 4.32Å; V842-A1098 HydrophobicContact CG2-CB 3.95Å; V842-I1100 HydrophobicContact CG1-CD1 4.15Å; V842-I1100 HydrophobicContact CG1-CG2 3.7Å; V842-I1100 HydrophobicContact CG2-CD1 3.99Å
843I90Very high89.3Confident37 Ų3729.9 Ų29.919%0.1916%0.161CC..  trans-63.6143.3179.9-60.9173.5000111H825 F828 D841 F1140H825-I843 HydrophobicContact CB-CG2 3.71Å; F828-I843 HydrophobicContact CD1-CG2 4.45Å; F828-I843 HydrophobicContact CE1-CB 4.46Å; F828-I843 HydrophobicContact CE1-CG1 4.13Å; D841-I843 PolarHBondContact O-N 3.36Å; I843-F1140 HydrophobicContact CB-CB 4.24Å; I843-F1140 HydrophobicContact CB-CD1 3.81Å; I843-F1140 HydrophobicContact CB-CE1 4.37Å; I843-F1140 HydrophobicContact CB-CG 4Å; I843-F1140 HydrophobicContact CD1-CD1 4.36Å; I843-F1140 HydrophobicContact CD1-CE1 4.11Å; I843-F1140 HydrophobicContact CD1-CE2 4.48Å; I843-F1140 HydrophobicContact CD1-CZ 4.17Å; I843-F1140 HydrophobicContact CG1-CD1 4.2Å; I843-F1140 HydrophobicContact CG1-CE1 4.26Å
844C92.1Very high88.3Confident0 Ų030.8 Ų30.80%017%0.167CC..  trans-107.5112.9162.8-175.50000107.2F828 Y904 N908F828-C844 HydrophobicContact CB-CB 4.15Å; F828-C844 HydrophobicContact CD2-CB 4.01Å; F828-C844 HydrophobicContact CG-CB 4.34Å; C844-Y904 WeakPolarHBondContact CB-OH 3.19Å; C844-N908 PolarHBondContact SG-OD1 3.18Å
845H88.5Confident87.2Confident2 Ų225.3 Ų25.31%0.00915%0.148CC..  trans-65.2137.1176.7-65-43.2000110.3Y823 R849 N908 S1137 F1140Y823-H845 WeakPolarHBondContact CB-ND1 3.43Å; Y823-H845 HydrophobicContact CD2-CB 4.5Å; Y823-H845 AromaticContact CD2-CD2 3.76Å; Y823-H845 AromaticContact CD2-CE1 3.93Å; Y823-H845 AromaticContact CD2-CG 3.91Å; Y823-H845 AromaticContact CD2-NE2 3.82Å; Y823-H845 HydrophobicContact CG-CB 4.44Å; H845-R849 WeakPolarHBondContact O-CB 3.49Å; H845-R849 PolarHBondContact O-N 3.47Å; H845-N908 PolarHBondContact O-ND2 2.93Å; H845-S1137 PolarHBondContact CD2-O 2.88Å; H845-F1140 AromaticContact CE1-CD2 3.63Å; H845-F1140 WeakPolarHBondContact NE2-CB 3.43Å; H845-F1140 AromaticContact NE2-CD2 3.77Å
846D85.3Confident85.7Confident16 Ų1624 Ų249%0.08614%0.136CC..SBendtrans-73.8-32.4179.3-84.6-40.8000112.8T824 H825 I826 A827 T848 R849T824-D846 PolarHBondContact O-N 2.78Å; H825-D846 VanDerWaalsContact C-OD2 3.24Å; H825-D846 VanDerWaalsContact CA-OD2 3.25Å; H825-D846 WeakPolarHBondContact CA-OD2 3.49Å; H825-D846 PolarHBondContact N-OD2 2.83Å; I826-D846 WeakPolarHBondContact CA-OD2 3.44Å; I826-D846 PolarHBondContact N-OD2 3.44Å; A827-D846 WeakPolarHBondContact CB-OD1 3.17Å; A827-D846 PolarHBondContact N-OD1 3.09Å; A827-D846 PolarHBondContact N-OD2 2.63Å; A827-D846 VanDerWaalsContact N-OD2 3.16Å; D846-T848 VanDerWaalsContact C-N 3.3Å; D846-T848 PolarHBondContact O-N 3.29Å; D846-R849 WeakPolarHBondContact O-CG 3.41Å; D846-R849 VanDerWaalsContact OD1-CD 3.3Å; D846-R849 WeakPolarHBondContact OD1-CD 3.39Å; D846-R849 IonicContact OD1-NE 3.08Å; D846-R849 PolarHBondContact OD1-NE 2.8Å
847A84.9Confident83.4Confident65 Ų6526.8 Ų26.854%0.53715%0.152SC..THydrogen-bonded Turntrans-60.5-36.9-179.100000113.3Y823Y823-A847 HydrophobicContact CD1-CB 3.89Å; Y823-A847 HydrophobicContact CE1-CB 4.18Å
848T90Very high80.7Confident22 Ų2231.2 Ų31.214%0.13518%0.183CC..THydrogen-bonded Turntrans-112.26.7-175.8590000113.7D846 N908 W909 Q1138D846-T848 VanDerWaalsContact C-N 3.3Å; D846-T848 PolarHBondContact O-N 3.29Å; T848-N908 CarbonylContact O-C 3.58Å; T848-N908 VanDerWaalsContact O-CA 3.27Å; T848-N908 WeakPolarHBondContact O-CA 3.16Å; T848-N908 PolarHBondContact OG1-ND2 2.61Å; T848-W909 VanDerWaalsContact O-CD1 3.32Å; T848-W909 PolarHBondContact O-N 3.16Å; T848-Q1138 HydrophobicContact CG2-CB 4.42Å; T848-Q1138 HydrophobicContact CG2-CG 4.42Å; T848-Q1138 PolarHBondContact OG1-O 3.22Å
849R92.6Very high77.9Confident10 Ų1032.4 Ų32.44%0.03820%0.195CC..EExtended strand (participates in β ladder)trans-67.2153.4-175.969-179.9170.266.26.4112.5H845 D846 Y851 A907 N908H845-R849 WeakPolarHBondContact O-CB 3.49Å; H845-R849 PolarHBondContact O-N 3.47Å; D846-R849 WeakPolarHBondContact O-CG 3.41Å; D846-R849 VanDerWaalsContact OD1-CD 3.3Å; D846-R849 WeakPolarHBondContact OD1-CD 3.39Å; D846-R849 IonicContact OD1-NE 3.08Å; D846-R849 PolarHBondContact OD1-NE 2.8Å; R849-Y851 HydrophobicContact CG-CD2 4.31Å; R849-Y851 HydrophobicContact CG-CE2 3.84Å; R849-Y851 VanDerWaalsContact NH1-CD1 3.29Å; R849-Y851 VanDerWaalsContact NH1-CZ 3.31Å; R849-Y851 WeakPolarHBondContact O-CD2 3.45Å; R849-Y851 VanDerWaalsContact O-CE2 3.24Å; R849-Y851 WeakPolarHBondContact O-CE2 3.19Å; R849-A907 CarbonylContact C-O 3.58Å; R849-A907 VanDerWaalsContact CA-O 3.31Å; R849-A907 WeakPolarHBondContact CA-O 3.42Å; R849-N908 PolarHBondContact N-ND2 2.97Å
850V92.9Very high75.6Confident0 Ų034.2 Ų34.20%021%0.206CC..EExtended strand (participates in β ladder)trans-80147.6170.4-173.60000109.8I905 A907 W909 I920 M936 Y940V850-I905 HydrophobicContact CB-CG2 4.21Å; V850-I905 HydrophobicContact CG1-CG2 4.44Å; V850-A907 HydrophobicContact CB-CB 4.07Å; V850-A907 HydrophobicContact CG2-CB 3.84Å; V850-A907 PolarHBondContact N-O 3.34Å; V850-W909 HydrophobicContact CG1-CZ2 4.35Å; V850-W909 HydrophobicContact CG2-CD2 4.18Å; V850-W909 HydrophobicContact CG2-CG 4.33Å; V850-I920 HydrophobicContact CG1-CD1 4.36Å; V850-I920 HydrophobicContact CG2-CD1 4.18Å; V850-I920 HydrophobicContact CG2-CG1 4.03Å; V850-I920 HydrophobicContact CG2-CG2 3.81Å; V850-M936 HydrophobicContact CB-SD 4.32Å; V850-M936 HydrophobicContact CG1-CG 3.79Å; V850-M936 HydrophobicContact CG1-SD 3.96Å; V850-Y940 HydrophobicContact CG1-CD2 3.86Å; V850-Y940 HydrophobicContact CG1-CE2 3.29Å
851Y90.3Very high73.3Confident34 Ų3433 Ų3313%0.13319%0.193CC..EExtended strand (participates in β ladder)trans-118125.6-177.2-69.1-120.7000108.7R849 H891 N903 Y940R849-Y851 HydrophobicContact CG-CD2 4.31Å; R849-Y851 HydrophobicContact CG-CE2 3.84Å; R849-Y851 VanDerWaalsContact NH1-CD1 3.29Å; R849-Y851 VanDerWaalsContact NH1-CZ 3.31Å; R849-Y851 WeakPolarHBondContact O-CD2 3.45Å; R849-Y851 VanDerWaalsContact O-CE2 3.24Å; R849-Y851 WeakPolarHBondContact O-CE2 3.19Å; Y851-H891 PolarHBondContact OH-CE1 2.94Å; Y851-N903 WeakPolarHBondContact CA-O 3.31Å; Y851-Y940 VanDerWaalsContact O-CE2 3.3Å; Y851-Y940 WeakPolarHBondContact O-CE2 3.24Å; Y851-Y940 PolarHBondContact O-OH 2.74Å
852L90Very high71Confident4 Ų433 Ų332%0.02120%0.198CC..  trans-72.3132.2169.6-55.9177000108.9N903 I905 D932 M936L852-N903 PolarHBondContact N-O 3.43Å; L852-N903 WeakPolarHBondContact O-CB 3.44Å; L852-N903 VanDerWaalsContact O-CG 3.26Å; L852-N903 PolarHBondContact O-ND2 3.2Å; L852-I905 HydrophobicContact CD1-CB 4.36Å; L852-I905 HydrophobicContact CD2-CB 4.15Å; L852-I905 HydrophobicContact CD2-CD1 4.35Å; L852-I905 HydrophobicContact CD2-CG2 3.88Å; L852-I905 HydrophobicContact CG-CB 4.21Å; L852-I905 HydrophobicContact CG-CG2 4.1Å; L852-D932 HydrophobicContact CD1-CB 3.84Å; L852-D932 WeakPolarHBondContact CD2-O 3.4Å; L852-M936 HydrophobicContact CD2-CB 3.95Å
853Q81.4Confident68.6Low16 Ų1641.3 Ų41.38%0.07523%0.229CC..  trans-73.5156174.5-60.6-165.914.500110.3L855 T884 Q935 D939Q853-L855 PolarHBondContact O-N 3.17Å; Q853-L855 VanDerWaalsContact O-N 3.13Å; Q853-T884 PolarHBondContact OE1-OG1 3.43Å; Q853-Q935 PolarHBondContact O-NE2 3.34Å; Q853-D939 WeakPolarHBondContact CB-OD2 3.19Å; Q853-D939 HydrophobicContact CG-CB 4.14Å; Q853-D939 PolarHBondContact N-OD2 2.94Å
854P69.6Low66.5Low19 Ų1942.5 Ų42.512%0.12324%0.235CC..  trans-71.2110.5173.8-16.230.9000110.5L856 L883 L887P854-L856 PolarHBondContact O-N 2.99Å; P854-L883 HydrophobicContact CB-CD2 3.85Å; P854-L883 HydrophobicContact CG-CD2 3.94Å; P854-L883 HydrophobicContact CG-CG 4.31Å; P854-L887 HydrophobicContact CG-CD1 3.4Å
855L63.6Low64.1Low33 Ų3346.1 Ų46.117%0.17326%0.26CS..PPolyproline II helixtrans-56.2120.8161.5-65.5178.4000108.6Q853 L857 Q935Q853-L855 PolarHBondContact O-N 3.17Å; Q853-L855 VanDerWaalsContact O-N 3.13Å; L855-L857 PolarHBondContact O-N 2.99Å; L855-Q935 HydrophobicContact CD1-CG 4.32Å; L855-Q935 HydrophobicContact CD2-CG 4.05Å; L855-Q935 HydrophobicContact CG-CG 4.22Å
856L54.4Low61.9Low36 Ų3651.8 Ų51.819%0.18830%0.295CS..PPolyproline II helixtrans-69.2116.1174-65.4177000108.4P854 I861 L876 Q880 L883P854-L856 PolarHBondContact O-N 2.99Å; L856-I861 HydrophobicContact CB-CD1 4.47Å; L856-I861 HydrophobicContact CB-CG1 4.18Å; L856-L876 HydrophobicContact CD1-CG 4.49Å; L856-Q880 HydrophobicContact CD1-CB 4.22Å; L856-L883 HydrophobicContact CD2-CD2 4.07Å
857L45.5Very low59.7Low89 Ų8955.1 Ų55.147%0.46632%0.319SS..PPolyproline II helixtrans-66.4152.5175.8-8868000109.7L855 S859 D860 I861L855-L857 PolarHBondContact O-N 2.99Å; L857-S859 WeakPolarHBondContact CB-OG 3.48Å; L857-S859 PolarHBondContact O-N 3.06Å; L857-S859 VanDerWaalsContact O-N 3.1Å; L857-D860 PolarHBondContact N-OD2 2.92Å; L857-D860 WeakPolarHBondContact O-CA 3.48Å; L857-D860 WeakPolarHBondContact O-CB 3.22Å; L857-D860 PolarHBondContact O-N 3.42Å; L857-I861 WeakPolarHBondContact O-CG1 3.45Å; L857-I861 PolarHBondContact O-N 3.29Å
858S36Very low57.4Low98 Ų9863.2 Ų63.269%0.68534%0.336SS*.Hα-helixtrans-56.7-25.3171.655.80000113S862S858-S862 WeakPolarHBondContact O-CB 3.42Å; S858-S862 PolarHBondContact O-N 3.05Å; S858-S862 PolarHBondContact O-OG 3.35Å
859S36.5Very low54.6Low47 Ų4766.4 Ų66.433%0.32936%0.359SS..Hα-helixtrans-67.4-32.617056.10000113.9L857 S862 R863L857-S859 WeakPolarHBondContact CB-OG 3.48Å; L857-S859 PolarHBondContact O-N 3.06Å; L857-S859 VanDerWaalsContact O-N 3.1Å; S859-S862 WeakPolarHBondContact CA-OG 3.47Å; S859-S862 PolarHBondContact O-OG 3.49Å; S859-R863 WeakPolarHBondContact O-CD 3.43Å; S859-R863 VanDerWaalsContact O-CG 3.23Å; S859-R863 WeakPolarHBondContact O-CG 3.44Å; S859-R863 PolarHBondContact O-N 2.89Å; S859-R863 VanDerWaalsContact O-N 3.07Å
860D41.4Very low51.9Low53 Ų5373.1 Ų73.128%0.28340%0.396SS..Hα-helixtrans-82.8-40.2-179.3-54.9-32000109.5L857 S862 R863 I864L857-D860 PolarHBondContact N-OD2 2.92Å; L857-D860 WeakPolarHBondContact O-CA 3.48Å; L857-D860 WeakPolarHBondContact O-CB 3.22Å; L857-D860 PolarHBondContact O-N 3.42Å; D860-S862 VanDerWaalsContact C-N 3.29Å; D860-S862 PolarHBondContact O-N 3.04Å; D860-R863 PolarHBondContact O-N 3.24Å; D860-I864 WeakPolarHBondContact O-CB 3.1Å; D860-I864 WeakPolarHBondContact O-CD1 3.1Å; D860-I864 VanDerWaalsContact O-CG1 3.25Å; D860-I864 WeakPolarHBondContact O-CG1 3.47Å; D860-I864 PolarHBondContact O-N 2.93Å
861I40.4Very low49Very low52 Ų5281.3 Ų81.327%0.26743%0.434SS..Hα-helixtrans-56.9-43.1168.2-58.2176.3000110.5L856 L857 I864 S865 L876L856-I861 HydrophobicContact CB-CD1 4.47Å; L856-I861 HydrophobicContact CB-CG1 4.18Å; L857-I861 WeakPolarHBondContact O-CG1 3.45Å; L857-I861 PolarHBondContact O-N 3.29Å; I861-I864 PolarHBondContact O-N 2.76Å; I861-S865 WeakPolarHBondContact O-CB 3.25Å; I861-S865 PolarHBondContact O-N 3.43Å; I861-S865 PolarHBondContact O-OG 2.84Å; I861-L876 HydrophobicContact CG1-CD1 4.24Å; I861-L876 HydrophobicContact CG2-CD1 4.09Å
862S35.4Very low46.8Very low56 Ų5683.3 Ų83.339%0.39245%0.447SS..Hα-helixtrans-67.9-40.5177.5740000112.4S858 S859 D860 I864 S865 T866S858-S862 WeakPolarHBondContact O-CB 3.42Å; S858-S862 PolarHBondContact O-N 3.05Å; S858-S862 PolarHBondContact O-OG 3.35Å; S859-S862 WeakPolarHBondContact CA-OG 3.47Å; S859-S862 PolarHBondContact O-OG 3.49Å; D860-S862 VanDerWaalsContact C-N 3.29Å; D860-S862 PolarHBondContact O-N 3.04Å; S862-I864 PolarHBondContact O-N 2.77Å; S862-S865 WeakPolarHBondContact CA-OG 3.34Å; S862-S865 PolarHBondContact O-N 2.83Å; S862-S865 PolarHBondContact O-OG 2.82Å; S862-T866 VanDerWaalsContact O-CG2 3.28Å; S862-T866 WeakPolarHBondContact O-CG2 3.38Å; S862-T866 PolarHBondContact O-N 2.87Å; S862-T866 PolarHBondContact O-OG1 3.47Å
863R40.4Very low44.5Very low178 Ų17888.5 Ų88.567%0.67248%0.481SS*.Hα-helixtrans-60.7-45.7174-75.1166.4178.7-178.3-1.7112.1S859 D860 S865 T866S859-R863 WeakPolarHBondContact O-CD 3.43Å; S859-R863 VanDerWaalsContact O-CG 3.23Å; S859-R863 WeakPolarHBondContact O-CG 3.44Å; S859-R863 PolarHBondContact O-N 2.89Å; S859-R863 VanDerWaalsContact O-N 3.07Å; D860-R863 PolarHBondContact O-N 3.24Å; R863-S865 PolarHBondContact O-N 3.4Å; R863-T866 PolarHBondContact O-N 3.35Å; R863-T866 PolarHBondContact O-OG1 2.78Å
864I44.8Very low42.6Very low63 Ų6391 Ų9132%0.32350%0.497SS..Hα-helixtrans-62.6-41177.4-66.9163.3000111.2D860 I861 S862 S867 A879D860-I864 WeakPolarHBondContact O-CB 3.1Å; D860-I864 WeakPolarHBondContact O-CD1 3.1Å; D860-I864 VanDerWaalsContact O-CG1 3.25Å; D860-I864 WeakPolarHBondContact O-CG1 3.47Å; D860-I864 PolarHBondContact O-N 2.93Å; I861-I864 PolarHBondContact O-N 2.76Å; S862-I864 PolarHBondContact O-N 2.77Å; I864-S867 PolarHBondContact O-OG 3.29Å; I864-S867 VanDerWaalsContact O-OG 3.12Å; I864-A879 HydrophobicContact CD1-CB 4.22Å
865S42.1Very low41.3Very low75 Ų7593.7 Ų93.752%0.52451%0.513SS..Hα-helixtrans-82.9-13.5-179.853.80000115.1I861 S862 R863 S867I861-S865 WeakPolarHBondContact O-CB 3.25Å; I861-S865 PolarHBondContact O-N 3.43Å; I861-S865 PolarHBondContact O-OG 2.84Å; S862-S865 WeakPolarHBondContact CA-OG 3.34Å; S862-S865 PolarHBondContact O-N 2.83Å; S862-S865 PolarHBondContact O-OG 2.82Å; R863-S865 PolarHBondContact O-N 3.4Å; S865-S867 PolarHBondContact O-N 2.93Å
866T41.9Very low40.2Very low121 Ų12194.4 Ų94.474%0.74252%0.517SS*.THydrogen-bonded Turntrans-70.9-10.1171.6490000114.1S862 R863S862-T866 VanDerWaalsContact O-CG2 3.28Å; S862-T866 WeakPolarHBondContact O-CG2 3.38Å; S862-T866 PolarHBondContact O-N 2.87Å; S862-T866 PolarHBondContact O-OG1 3.47Å; R863-T866 PolarHBondContact O-N 3.35Å; R863-T866 PolarHBondContact O-OG1 2.78Å
867S40.2Very low39.5Very low86 Ų8694.6 Ų94.660%0.60152%0.521SS*.SBendtrans-106.196.2173.653.60000112.5I864 S865I864-S867 PolarHBondContact O-OG 3.29Å; I864-S867 VanDerWaalsContact O-OG 3.12Å; S865-S867 PolarHBondContact O-N 2.93Å
868R36.9Very low39.5Very low236 Ų23694.2 Ų94.289%0.89152%0.52SS*.SBendtrans80.8135.9-175.8-59.8178.5168.6165.9-3.4115.1
869S31.4Very low39.8Very low89 Ų8991 Ų9162%0.62250%0.499SS*.SBendtrans-81.6154.4174.554.50000112
870D34.1Very low40.2Very low151 Ų15191.1 Ų91.181%0.80749%0.494SS*.SBendtrans6539.6155.2-45.8-37.4000118.8
871E33.4Very low40.5Very low171 Ų17192.5 Ų92.580%0.79950%0.498SS*.  trans-133137.4172.6-70.6-64.1177.800116.7
872D43.4Very low40.8Very low77 Ų7793.2 Ų93.241%0.41251%0.508SS..  trans9.5125.4166.3-163.1-0.8000122.3T874 V875D872-T874 PolarHBondContact O-N 2.92Å; D872-T874 WeakPolarHBondContact OD1-CG2 3.32Å; D872-T874 PolarHBondContact OD1-N 2.91Å; D872-T874 WeakPolarHBondContact OD2-CB 3.47Å; D872-T874 WeakPolarHBondContact OD2-CG2 3.36Å; D872-T874 PolarHBondContact OD2-OG1 3.35Å; D872-V875 WeakPolarHBondContact O-CG2 3.3Å; D872-V875 PolarHBondContact O-N 2.73Å; D872-V875 VanDerWaalsContact O-N 3.11Å
873P41Very low41.3Very low112 Ų11293.8 Ų93.873%0.72751%0.506SS*.THydrogen-bonded Turntrans-57.8-15.4168.225.3-36.5000116V875 L876 C877P873-V875 PolarHBondContact O-N 3.47Å; P873-L876 PolarHBondContact O-N 3.15Å; P873-C877 PolarHBondContact O-N 3.17Å
874T42.4Very low41.5Very low68 Ų6885.6 Ų85.642%0.41748%0.476SS..Hα-helixtrans-58.3-28.1171.266.20000112.8D872 C877 N878D872-T874 PolarHBondContact O-N 2.92Å; D872-T874 WeakPolarHBondContact OD1-CG2 3.32Å; D872-T874 PolarHBondContact OD1-N 2.91Å; D872-T874 WeakPolarHBondContact OD2-CB 3.47Å; D872-T874 WeakPolarHBondContact OD2-CG2 3.36Å; D872-T874 PolarHBondContact OD2-OG1 3.35Å; T874-C877 WeakPolarHBondContact O-CB 3.38Å; T874-C877 PolarHBondContact O-N 3.23Å; T874-N878 WeakPolarHBondContact O-CB 3.41Å; T874-N878 PolarHBondContact O-N 3.14Å; T874-N878 PolarHBondContact O-ND2 3.43Å
875V41.5Very low41.5Very low76 Ų7684.9 Ų84.946%0.46148%0.479SS..Hα-helixtrans-64.8-41.7179.6-179.30000111.3D872 P873 N878 A879D872-V875 WeakPolarHBondContact O-CG2 3.3Å; D872-V875 PolarHBondContact O-N 2.73Å; D872-V875 VanDerWaalsContact O-N 3.11Å; P873-V875 PolarHBondContact O-N 3.47Å; V875-N878 PolarHBondContact O-N 2.9Å; V875-A879 PolarHBondContact O-N 2.89Å
876L41.8Very low41.4Very low48 Ų4889.8 Ų89.825%0.25149%0.486SS..Hα-helixtrans-64.9-43.9178.2-156.980000111L856 I861 P873 N878 A879 Q880L856-L876 HydrophobicContact CD1-CG 4.49Å; I861-L876 HydrophobicContact CG1-CD1 4.24Å; I861-L876 HydrophobicContact CG2-CD1 4.09Å; P873-L876 PolarHBondContact O-N 3.15Å; L876-N878 VanDerWaalsContact C-N 3.31Å; L876-N878 PolarHBondContact O-N 2.73Å; L876-A879 PolarHBondContact O-N 2.74Å; L876-Q880 PolarHBondContact O-N 3.43Å
877C39.6Very low41.5Very low41 Ų4185.9 Ų85.928%0.27746%0.46SS..Hα-helixtrans-58.4-41.6174.2-178.80000111.6N606 P873 T874 Q880 K881N606-C877 PolarHBondContact ND2-SG 3.06Å; P873-C877 PolarHBondContact O-N 3.17Å; T874-C877 WeakPolarHBondContact O-CB 3.38Å; T874-C877 PolarHBondContact O-N 3.23Å; C877-Q880 PolarHBondContact O-N 2.97Å; C877-K881 VanDerWaalsContact O-CG 3.32Å; C877-K881 WeakPolarHBondContact O-CG 3.08Å; C877-K881 PolarHBondContact O-N 2.88Å; C877-K881 WeakPolarHBondContact SG-CE 3.33Å
878N45Very low41.8Very low80 Ų8084.1 Ų84.143%0.42844%0.443SS..Hα-helixtrans-72.8-33.5178.5-67.6-21.7000113.3T874 V875 L876 K881 S882T874-N878 WeakPolarHBondContact O-CB 3.41Å; T874-N878 PolarHBondContact O-N 3.14Å; T874-N878 PolarHBondContact O-ND2 3.43Å; V875-N878 PolarHBondContact O-N 2.9Å; L876-N878 VanDerWaalsContact C-N 3.31Å; L876-N878 PolarHBondContact O-N 2.73Å; N878-K881 PolarHBondContact OD1-NZ 3.28Å; N878-S882 PolarHBondContact O-N 3.06Å
879A41.5Very low42Very low31 Ų3183.4 Ų83.426%0.25644%0.44SS..Hα-helixtrans-63.2-4417100000111.6I864 V875 L876 S882 L883I864-A879 HydrophobicContact CD1-CB 4.22Å; V875-A879 PolarHBondContact O-N 2.89Å; L876-A879 PolarHBondContact O-N 2.74Å; A879-S882 PolarHBondContact O-N 3.48Å; A879-L883 PolarHBondContact O-N 2.9Å; A879-L883 VanDerWaalsContact O-N 3.1Å
880Q44.8Very low42.2Very low49 Ų4982 Ų8223%0.22943%0.428CS..Hα-helixtrans-63.7-45.7176-168.3170-17.500111.8L856 L876 C877 S882 L883 T884L856-Q880 HydrophobicContact CD1-CB 4.22Å; L876-Q880 PolarHBondContact O-N 3.43Å; C877-Q880 PolarHBondContact O-N 2.97Å; Q880-S882 VanDerWaalsContact C-N 3.29Å; Q880-S882 PolarHBondContact O-N 2.83Å; Q880-L883 PolarHBondContact O-N 2.85Å; Q880-L883 VanDerWaalsContact O-N 3.16Å; Q880-T884 PolarHBondContact O-N 3.34Å; Q880-T884 PolarHBondContact O-OG1 2.96Å
881K47.8Very low42.6Very low82 Ų8280.2 Ų80.236%0.35742%0.415SS..Hα-helixtrans-53.2-44.9172.7-72.7170.9-163.8161.20112.4N606 C877 N878 A885N606-K881 WeakPolarHBondContact OD1-CE 3.31Å; C877-K881 VanDerWaalsContact O-CG 3.32Å; C877-K881 WeakPolarHBondContact O-CG 3.08Å; C877-K881 PolarHBondContact O-N 2.88Å; C877-K881 WeakPolarHBondContact SG-CE 3.33Å; N878-K881 PolarHBondContact OD1-NZ 3.28Å; K881-A885 WeakPolarHBondContact O-CB 3.27Å; K881-A885 PolarHBondContact O-N 2.76Å
882S47.7Very low42.7Very low68 Ų6878.3 Ų78.348%0.47642%0.42SS..Hα-helixtrans-63.9-40.6179.8-167.80000112.2N878 A879 Q880 R886N878-S882 PolarHBondContact O-N 3.06Å; A879-S882 PolarHBondContact O-N 3.48Å; Q880-S882 VanDerWaalsContact C-N 3.29Å; Q880-S882 PolarHBondContact O-N 2.83Å; S882-R886 WeakPolarHBondContact O-CG 3.23Å; S882-R886 PolarHBondContact O-N 3.12Å; S882-R886 VanDerWaalsContact O-N 3.07Å
883L46.1Very low42.2Very low68 Ų6876.8 Ų76.836%0.35642%0.418SS..Hα-helixtrans-69-44.7178.3-168.666.8000112P854 L856 A879 Q880 R886 L887P854-L883 HydrophobicContact CB-CD2 3.85Å; P854-L883 HydrophobicContact CG-CD2 3.94Å; P854-L883 HydrophobicContact CG-CG 4.31Å; L856-L883 HydrophobicContact CD2-CD2 4.07Å; A879-L883 PolarHBondContact O-N 2.9Å; A879-L883 VanDerWaalsContact O-N 3.1Å; Q880-L883 PolarHBondContact O-N 2.85Å; Q880-L883 VanDerWaalsContact O-N 3.16Å; L883-R886 PolarHBondContact O-N 3.02Å; L883-L887 PolarHBondContact O-N 2.79Å
884T43.9Very low42.1Very low5 Ų577.8 Ų77.83%0.03143%0.425CS..Hα-helixtrans-63.8-45.6175.7-54.20000110.8V609 Q853 Q880 R886 L887 H888V609-T884 HydrophobicContact CB-CG2 4.47Å; V609-T884 HydrophobicContact CG1-CG2 3.82Å; Q853-T884 PolarHBondContact OE1-OG1 3.43Å; Q880-T884 PolarHBondContact O-N 3.34Å; Q880-T884 PolarHBondContact O-OG1 2.96Å; T884-R886 VanDerWaalsContact C-N 3.29Å; T884-R886 PolarHBondContact O-N 3.49Å; T884-L887 PolarHBondContact O-N 3.21Å; T884-L887 VanDerWaalsContact O-N 3.11Å; T884-H888 PolarHBondContact O-CD2 3.19Å; T884-H888 VanDerWaalsContact O-CD2 3.26Å; T884-H888 PolarHBondContact O-N 2.98Å
885A44.6Very low42.8Very low48 Ų4877.4 Ų77.440%0.39742%0.419SS..Hα-helixtrans-60.9-3417700000113.3K881 R889K881-A885 WeakPolarHBondContact O-CB 3.27Å; K881-A885 PolarHBondContact O-N 2.76Å; A885-R889 PolarHBondContact O-N 2.88Å
886R41.3Very low43.6Very low178 Ų17876.9 Ų76.967%0.67242%0.419SS*.Hα-helixtrans-65.1-41.9173.1-81.7179.7170-142.7-5.4112.4S882 L883 T884 H888 R889S882-R886 WeakPolarHBondContact O-CG 3.23Å; S882-R886 PolarHBondContact O-N 3.12Å; S882-R886 VanDerWaalsContact O-N 3.07Å; L883-R886 PolarHBondContact O-N 3.02Å; T884-R886 VanDerWaalsContact C-N 3.29Å; T884-R886 PolarHBondContact O-N 3.49Å; R886-H888 VanDerWaalsContact C-N 3.3Å; R886-H888 PolarHBondContact O-N 3.25Å; R886-R889 PolarHBondContact O-N 3.23Å
887L43.8Very low44.4Very low39 Ų3977.3 Ų77.320%0.20443%0.43CS..Hα-helixtrans-64.8-31-179.8-76.6164.8000113.6P854 L883 T884 T890 T899P854-L887 HydrophobicContact CG-CD1 3.4Å; L883-L887 PolarHBondContact O-N 2.79Å; T884-L887 PolarHBondContact O-N 3.21Å; T884-L887 VanDerWaalsContact O-N 3.11Å; L887-T890 PolarHBondContact O-OG1 2.92Å; L887-T899 HydrophobicContact CD2-CG2 3.62Å
888H45.6Very low45.7Very low50 Ų5081.7 Ų81.723%0.23145%0.446CS..Hα-helixtrans-88.1-14.6178.1-68.8-74.2000114.1G610 T884 R886 T890 H891G610-H888 VanDerWaalsContact CA-CE1 3.45Å; G610-H888 WeakPolarHBondContact CA-CE1 3.22Å; G610-H888 WeakPolarHBondContact CA-NE2 3.41Å; G610-H888 PolarHBondContact O-CE1 3.21Å; G610-H888 VanDerWaalsContact O-CE1 3.27Å; T884-H888 PolarHBondContact O-CD2 3.19Å; T884-H888 VanDerWaalsContact O-CD2 3.26Å; T884-H888 PolarHBondContact O-N 2.98Å; R886-H888 VanDerWaalsContact C-N 3.3Å; R886-H888 PolarHBondContact O-N 3.25Å; H888-T890 VanDerWaalsContact C-N 3.32Å; H888-H891 PolarHBondContact O-CD2 3.39Å
889R40.6Very low47Very low220 Ų22079.6 Ų79.683%0.8344%0.436SS*.THydrogen-bonded Turntrans-77.8-12.2172.7-86.5-171.3176.3-178.1-0.8114.4A885 R886A885-R889 PolarHBondContact O-N 2.88Å; R886-R889 PolarHBondContact O-N 3.23Å
890T36.6Very low48.7Very low59 Ų5979.2 Ų79.236%0.36243%0.429SS..THydrogen-bonded Turntrans-103.230.5-171.255.60000114.2L887 H888 S892 A893L887-T890 PolarHBondContact O-OG1 2.92Å; H888-T890 VanDerWaalsContact C-N 3.32Å; T890-S892 PolarHBondContact O-N 3.42Å; T890-A893 PolarHBondContact O-N 2.75Å
891H42.6Very low50.4Low115 Ų11578.1 Ų78.153%0.53243%0.426SS..THydrogen-bonded Turntrans-65.6-28.6172.6-85.2-108.7000112.6Y851 H888Y851-H891 PolarHBondContact OH-CE1 2.94Å; H888-H891 PolarHBondContact O-CD2 3.39Å
892S35.3Very low52Low131 Ų13178.6 Ų78.692%0.91643%0.428SS*.THydrogen-bonded Turntrans-91.87.7177.5-40.50000114.3T890T890-S892 PolarHBondContact O-N 3.42Å
893A33.3Very low53.9Low44 Ų4475.9 Ų75.936%0.36441%0.408SS..SBendtrans-123.5149.3-179.200000110.1T890 I895T890-A893 PolarHBondContact O-N 2.75Å; A893-I895 PolarHBondContact O-N 3.1Å
894P38.4Very low56.1Low134 Ų13472.7 Ų72.787%0.8739%0.391SS*.  trans-61.5104.3-179.323.8-33.3000110.9S896P894-S896 PolarHBondContact O-N 2.89Å; P894-S896 VanDerWaalsContact O-N 3.12Å
895I56.4Low58.5Low59 Ų5972.7 Ų72.730%0.30339%0.391SS..  trans-60.9115.8176.7-59.7175.9000107.6A893 A897 T899 L900A893-I895 PolarHBondContact O-N 3.1Å; I895-A897 PolarHBondContact O-N 3.12Å; I895-T899 HydrophobicContact CG2-CG2 3.82Å; I895-L900 HydrophobicContact CG2-CB 4.38Å
896S58.6Low61Low65 Ų6570.5 Ų70.546%0.45537%0.373SS..  trans-56141.6-177.274.80000111.2P894 H898 T899 L900P894-S896 PolarHBondContact O-N 2.89Å; P894-S896 VanDerWaalsContact O-N 3.12Å; S896-H898 PolarHBondContact O-N 2.86Å; S896-T899 WeakPolarHBondContact O-CA 3.4Å; S896-T899 WeakPolarHBondContact O-CB 3.5Å; S896-T899 PolarHBondContact O-N 2.83Å; S896-T899 PolarHBondContact OG-N 3.03Å; S896-T899 PolarHBondContact OG-OG1 3.25Å; S896-L900 PolarHBondContact O-N 2.98Å
897A58.6Low63.7Low58 Ų5862 Ų6248%0.47934%0.341SS..Hα-helixtrans-55.1-30.1-177.300000112.7I895 V901I895-A897 PolarHBondContact O-N 3.12Å; A897-V901 VanDerWaalsContact O-CG2 3.27Å; A897-V901 WeakPolarHBondContact O-CG2 3.07Å; A897-V901 PolarHBondContact O-N 3.07Å
898H67.7Low66.2Low133 Ų13360.2 Ų60.262%0.61633%0.331SS*.Hα-helixtrans-61.3-49.6170.7173.2-90.1000112.6S896 V901 K902S896-H898 PolarHBondContact O-N 2.86Å; H898-V901 PolarHBondContact O-N 2.81Å; H898-K902 WeakPolarHBondContact O-CB 3.25Å; H898-K902 PolarHBondContact O-N 2.98Å
899T72.1Confident68.6Low36 Ų3658.2 Ų58.222%0.22132%0.322CS..Hα-helixtrans-65.9-39177.3-59.60000111.8L887 I895 S896 V901 N903L887-T899 HydrophobicContact CD2-CG2 3.62Å; I895-T899 HydrophobicContact CG2-CG2 3.82Å; S896-T899 WeakPolarHBondContact O-CA 3.4Å; S896-T899 WeakPolarHBondContact O-CB 3.5Å; S896-T899 PolarHBondContact O-N 2.83Å; S896-T899 PolarHBondContact OG-N 3.03Å; S896-T899 PolarHBondContact OG-OG1 3.25Å; T899-V901 PolarHBondContact O-N 3.01Å; T899-N903 WeakPolarHBondContact O-CB 3.23Å; T899-N903 PolarHBondContact O-N 3.38Å; T899-N903 VanDerWaalsContact O-N 3.12Å
900L76.3Confident71.2Confident22 Ų2247.7 Ų47.712%0.11528%0.282CS..Hα-helixtrans-60.4-24.4175.9-168.171000113.1I826 A827 H830 N833 I895 S896 Y904I826-L900 HydrophobicContact CG2-CD2 4.16Å; A827-L900 HydrophobicContact CB-CD1 3.61Å; A827-L900 HydrophobicContact CB-CG 4.11Å; H830-L900 HydrophobicContact CB-CD2 4.26Å; N833-L900 PolarHBondContact ND2-O 3.11Å; I895-L900 HydrophobicContact CG2-CB 4.38Å; S896-L900 PolarHBondContact O-N 2.98Å; L900-Y904 WeakPolarHBondContact O-CB 3.46Å
901V80.9Confident73.9Confident27 Ų2745 Ų4516%0.16427%0.265CS..Hα-helixtrans-98.1-46.2179172.30000112.3H830 L832 N833 K836 A897 H898 T899 N903 Y904H830-V901 WeakPolarHBondContact CE1-CG2 3.48Å; H830-V901 WeakPolarHBondContact ND1-CG2 3.05Å; L832-V901 HydrophobicContact CB-CG1 3.84Å; L832-V901 HydrophobicContact CB-CG2 3.79Å; L832-V901 HydrophobicContact CD1-CG1 4.31Å; L832-V901 HydrophobicContact CD1-CG2 4.2Å; L832-V901 HydrophobicContact CG-CG2 4.49Å; N833-V901 WeakPolarHBondContact OD1-CA 3.18Å; K836-V901 PolarHBondContact NZ-O 3.45Å; A897-V901 VanDerWaalsContact O-CG2 3.27Å; A897-V901 WeakPolarHBondContact O-CG2 3.07Å; A897-V901 PolarHBondContact O-N 3.07Å; H898-V901 PolarHBondContact O-N 2.81Å; T899-V901 PolarHBondContact O-N 3.01Å; V901-N903 VanDerWaalsContact C-N 3.33Å; V901-N903 PolarHBondContact O-N 3.04Å; V901-Y904 PolarHBondContact O-N 2.72Å
902K81.5Confident76.4Confident92 Ų9239.5 Ų39.540%0.424%0.24SC..Hα-helixtrans-62.1-42.1-177.6-172.8174179.7179.60111.4H898 Y904H898-K902 WeakPolarHBondContact O-CB 3.25Å; H898-K902 PolarHBondContact O-N 2.98Å; K902-Y904 PolarHBondContact O-N 3.44Å
903N87.4Confident79.1Confident11 Ų1133.5 Ų33.56%0.05920%0.197CC..THydrogen-bonded Turntrans-90.86.2-173.3-61.425000113.4Y851 L852 T899 V901Y851-N903 WeakPolarHBondContact CA-O 3.31Å; L852-N903 PolarHBondContact N-O 3.43Å; L852-N903 WeakPolarHBondContact O-CB 3.44Å; L852-N903 VanDerWaalsContact O-CG 3.26Å; L852-N903 PolarHBondContact O-ND2 3.2Å; T899-N903 WeakPolarHBondContact O-CB 3.23Å; T899-N903 PolarHBondContact O-N 3.38Å; T899-N903 VanDerWaalsContact O-N 3.12Å; V901-N903 VanDerWaalsContact C-N 3.33Å; V901-N903 PolarHBondContact O-N 3.04Å
904Y92.5Very high81.8Confident0 Ų033 Ų330%019%0.186CC..EExtended strand (participates in β ladder)trans-92.8131.2-174.1-179.4-95.1000113.8A827 N833 K836 N837 C844 L900 V901 K902A827-Y904 HydrophobicContact CB-CD2 3.59Å; A827-Y904 HydrophobicContact CB-CE2 3.94Å; A827-Y904 HydrophobicContact CB-CG 4.49Å; N833-Y904 HydrophobicContact CB-CD1 3.7Å; N833-Y904 HydrophobicContact CB-CE1 3.98Å; N833-Y904 HydrophobicContact CB-CG 4.3Å; N833-Y904 VanDerWaalsContact CG-CD1 3.49Å; N833-Y904 WeakPolarHBondContact ND2-CB 3.42Å; K836-Y904 HydrophobicContact CB-CD1 4.4Å; K836-Y904 HydrophobicContact CB-CE1 4.38Å; K836-Y904 HydrophobicContact CD-CD1 4.07Å; K836-Y904 VanDerWaalsContact CD-O 3.32Å; K836-Y904 WeakPolarHBondContact CD-O 3.47Å; K836-Y904 PolarHBondContact NZ-O 3.38Å; N837-Y904 VanDerWaalsContact OD1-CE1 3.32Å; N837-Y904 WeakPolarHBondContact OD1-CE1 3.4Å; N837-Y904 PolarHBondContact OD1-OH 3.41Å; C844-Y904 WeakPolarHBondContact CB-OH 3.19Å; L900-Y904 WeakPolarHBondContact O-CB 3.46Å; V901-Y904 PolarHBondContact O-N 2.72Å; K902-Y904 PolarHBondContact O-N 3.44Å
905I95.3Very high84.3Confident6 Ų626.8 Ų26.83%0.03115%0.145CC..EExtended strand (participates in β ladder)trans-135.4147.4165.1-176.1163.1000108.9V850 L852 A907 D932 M936V850-I905 HydrophobicContact CB-CG2 4.21Å; V850-I905 HydrophobicContact CG1-CG2 4.44Å; L852-I905 HydrophobicContact CD1-CB 4.36Å; L852-I905 HydrophobicContact CD2-CB 4.15Å; L852-I905 HydrophobicContact CD2-CD1 4.35Å; L852-I905 HydrophobicContact CD2-CG2 3.88Å; L852-I905 HydrophobicContact CG-CB 4.21Å; L852-I905 HydrophobicContact CG-CG2 4.1Å; I905-A907 VanDerWaalsContact C-N 3.29Å; I905-A907 HydrophobicContact CG2-CB 4.33Å; I905-A907 PolarHBondContact O-N 3.29Å; I905-D932 HydrophobicContact CD1-CB 4.29Å; I905-M936 HydrophobicContact CD1-CB 4.12Å; I905-M936 HydrophobicContact CD1-SD 3.91Å; I905-M936 HydrophobicContact CG2-SD 4.15Å
906H96.5Very high85.9Confident2 Ų225.6 Ų25.61%0.00914%0.138CC..EExtended strand (participates in β ladder)trans-80.276.8178.4-166.2-49.5000111.5F828 N837 V842 T922 Q923 R1139F828-H906 AromaticContact CD2-CD2 3.79Å; F828-H906 AromaticContact CD2-NE2 3.79Å; F828-H906 AromaticContact CE2-CD2 3.77Å; F828-H906 AromaticContact CE2-NE2 3.56Å; N837-H906 PolarHBondContact OD1-CD2 3.42Å; V842-H906 PolarHBondContact O-NE2 3.26Å; H906-T922 PolarHBondContact O-OG1 3.46Å; H906-Q923 HydrophobicContact CB-CG 4.17Å; H906-Q923 PolarHBondContact O-N 2.83Å; H906-R1139 PolarHBondContact CE1-NH1 2.88Å; H906-R1139 VanDerWaalsContact CE1-NH1 3.29Å; H906-R1139 PolarHBondContact CE1-NH2 3.1Å; H906-R1139 PolarHBondContact ND1-NH1 2.94Å; H906-R1139 PolarHBondContact ND1-NH2 3.25Å
907A97.3Very high87.5Confident0 Ų022.6 Ų22.60%012%0.117CC..EExtended strand (participates in β ladder)trans-148.4145.117900000110.2R849 V850 I905 I920 C921 M936R849-A907 CarbonylContact C-O 3.58Å; R849-A907 VanDerWaalsContact CA-O 3.31Å; R849-A907 WeakPolarHBondContact CA-O 3.42Å; V850-A907 HydrophobicContact CB-CB 4.07Å; V850-A907 HydrophobicContact CG2-CB 3.84Å; V850-A907 PolarHBondContact N-O 3.34Å; I905-A907 VanDerWaalsContact C-N 3.29Å; I905-A907 HydrophobicContact CG2-CB 4.33Å; I905-A907 PolarHBondContact O-N 3.29Å; A907-I920 HydrophobicContact CB-CG2 3.76Å; A907-C921 WeakPolarHBondContact CA-O 3.17Å; A907-M936 HydrophobicContact CB-SD 3.78Å
908N96.4Very high89.3Confident0 Ų019.9 Ų19.90%09%0.094CC..EExtended strand (participates in β ladder)trans-122.1146.1172-62.988.9000111C844 H845 T848 R849 C921 Q1138 R1139C844-N908 PolarHBondContact SG-OD1 3.18Å; H845-N908 PolarHBondContact O-ND2 2.93Å; T848-N908 CarbonylContact O-C 3.58Å; T848-N908 VanDerWaalsContact O-CA 3.27Å; T848-N908 WeakPolarHBondContact O-CA 3.16Å; T848-N908 PolarHBondContact OG1-ND2 2.61Å; R849-N908 PolarHBondContact N-ND2 2.97Å; N908-C921 PolarHBondContact N-O 2.7Å; N908-C921 PolarHBondContact O-N 3.26Å; N908-Q1138 WeakPolarHBondContact CB-O 3.48Å; N908-R1139 HydrophobicContact CB-CB 4.45Å; N908-R1139 WeakPolarHBondContact OD1-CD 3.47Å; N908-R1139 PolarHBondContact OD1-NH1 3.03Å
909W95.5Very high90.7Very high8 Ų813.7 Ų13.73%0.037%0.066CC..EExtended strand (participates in β ladder)trans-63.4138.5161.7-62.7110.2000110R611 T848 V850 N917 I920 Y940 P1091R611-W909 HydrophobicContact CG-CH2 3.95Å; R611-W909 HydrophobicContact CG-CZ2 4Å; T848-W909 VanDerWaalsContact O-CD1 3.32Å; T848-W909 PolarHBondContact O-N 3.16Å; V850-W909 HydrophobicContact CG1-CZ2 4.35Å; V850-W909 HydrophobicContact CG2-CD2 4.18Å; V850-W909 HydrophobicContact CG2-CG 4.33Å; W909-N917 HydrophobicContact CD2-CB 4.29Å; W909-N917 HydrophobicContact CE3-CB 3.62Å; W909-N917 HydrophobicContact CZ3-CB 4.01Å; W909-I920 HydrophobicContact CD2-CG1 4.35Å; W909-I920 HydrophobicContact CE3-CD1 4.25Å; W909-I920 HydrophobicContact CE3-CG1 3.61Å; W909-I920 HydrophobicContact CH2-CD1 3.89Å; W909-I920 HydrophobicContact CH2-CG1 4.19Å; W909-I920 HydrophobicContact CZ3-CD1 3.73Å; W909-I920 HydrophobicContact CZ3-CG1 3.55Å; W909-Y940 AromaticContact CH2-CD1 3.56Å; W909-Y940 HydrophobicContact CH2-CD1 3.56Å; W909-Y940 HydrophobicContact CH2-CD2 4.31Å; W909-Y940 AromaticContact CH2-CE1 3.84Å; W909-Y940 HydrophobicContact CH2-CE1 3.84Å; W909-Y940 AromaticContact CH2-CG 3.79Å; W909-Y940 HydrophobicContact CH2-CG 3.79Å; W909-Y940 AromaticContact CZ2-CD1 3.76Å; W909-Y940 HydrophobicContact CZ2-CD1 3.76Å; W909-Y940 HydrophobicContact CZ2-CD2 4.35Å; W909-Y940 AromaticContact CZ2-CE1 3.5Å; W909-Y940 HydrophobicContact CZ2-CE1 3.5Å; W909-Y940 HydrophobicContact CZ2-CE2 4.13Å; W909-Y940 HydrophobicContact CZ2-CG 4.15Å; W909-Y940 AromaticContact CZ2-CZ 3.67Å; W909-P1091 HydrophobicContact CH2-CG 4.47Å; W909-P1091 HydrophobicContact CZ3-CB 4.11Å; W909-P1091 HydrophobicContact CZ3-CG 3.89Å
910V95.4Very high91.9Very high0 Ų012 Ų120%06%0.055CC..EExtended strand (participates in β ladder)trans-137.4136.5170.6-177.30000108.5N917 A918 F919 C921 V1107 V1135 Q1138 R1139V910-N917 CarbonylContact O-C 3.54Å; V910-A918 PolarHBondContact O-N 3.11Å; V910-F919 HydrophobicContact CB-CB 4.31Å; V910-F919 PolarHBondContact N-O 3.02Å; V910-F919 PolarHBondContact O-N 3.45Å; V910-C921 HydrophobicContact CG2-CB 3.96Å; V910-V1107 HydrophobicContact CG1-CG1 4.09Å; V910-V1135 HydrophobicContact CG1-CG1 4.24Å; V910-V1135 HydrophobicContact CG1-CG2 4.28Å; V910-Q1138 HydrophobicContact CG1-CB 4.42Å; V910-Q1138 HydrophobicContact CG2-CB 4.1Å; V910-R1139 HydrophobicContact CG2-CB 3.77Å
911D94.8Very high93Very high1 Ų111 Ų111%0.0055%0.05CC..EExtended strand (participates in β ladder)trans-73.7157.5177.8-68.8-25.5000111.4I617 K916 N917 Q1138I617-D911 HydrophobicContact CG1-CB 4.3Å; I617-D911 PolarHBondContact N-OD2 2.93Å; D911-K916 VanDerWaalsContact OD1-CA 3.31Å; D911-K916 WeakPolarHBondContact OD1-CA 3.39Å; D911-K916 VanDerWaalsContact OD1-CD 3.27Å; D911-K916 WeakPolarHBondContact OD1-CD 3.37Å; D911-K916 WeakPolarHBondContact OD1-CE 3.48Å; D911-K916 IonicContact OD1-NZ 2.8Å; D911-K916 WeakPolarHBondContact OD2-CE 3.32Å; D911-K916 IonicContact OD2-NZ 3.94Å; D911-K916 PolarHBondContact OD2-NZ 3.46Å; D911-N917 PolarHBondContact OD1-N 2.88Å; D911-Q1138 VanDerWaalsContact CG-NE2 3.34Å; D911-Q1138 PolarHBondContact OD2-NE2 2.91Å
912G93.9Very high93.8Very high0 Ų09.8 Ų9.80%04%0.043CC..EExtended strand (participates in β ladder)trans-118175.6170.600000110.9S616 R914 Q915 A918S616-G912 PolarHBondContact OG-O 3.31Å; G912-R914 PolarHBondContact O-N 3.02Å; G912-R914 VanDerWaalsContact O-N 3.14Å; G912-Q915 PolarHBondContact N-O 3.17Å; G912-Q915 PolarHBondContact O-N 2.69Å; G912-A918 VanDerWaalsContact N-CB 3.33Å
913Y93Very high94.6Very high6 Ų65.7 Ų5.72%0.0243%0.025CC..THydrogen-bonded Turntrans-54.2121.9174-174.8-116000110.4H618 Q915 K1114 W1115 D1118H618-Y913 WeakPolarHBondContact O-CD2 3.3Å; Y913-Q915 PolarHBondContact O-N 3.05Å; Y913-K1114 HydrophobicContact CD1-CB 3.95Å; Y913-K1114 HydrophobicContact CG-CB 4.27Å; Y913-W1115 HydrophobicContact CD1-CB 4.42Å; Y913-W1115 HydrophobicContact CD2-CB 3.8Å; Y913-W1115 AromaticContact CD2-CD2 3.59Å; Y913-W1115 HydrophobicContact CD2-CD2 3.59Å; Y913-W1115 AromaticContact CD2-CE3 3.73Å; Y913-W1115 HydrophobicContact CD2-CE3 3.73Å; Y913-W1115 AromaticContact CD2-CG 3.66Å; Y913-W1115 HydrophobicContact CD2-CG 3.66Å; Y913-W1115 HydrophobicContact CD2-CZ3 4.33Å; Y913-W1115 HydrophobicContact CE1-CB 4.4Å; Y913-W1115 HydrophobicContact CE1-CG 4.45Å; Y913-W1115 HydrophobicContact CE2-CB 3.84Å; Y913-W1115 AromaticContact CE2-CD1 3.41Å; Y913-W1115 VanDerWaalsContact CE2-CD1 3.41Å; Y913-W1115 AromaticContact CE2-CD2 3.29Å; Y913-W1115 HydrophobicContact CE2-CD2 3.29Å; Y913-W1115 AromaticContact CE2-CE2 3.42Å; Y913-W1115 VanDerWaalsContact CE2-CE2 3.42Å; Y913-W1115 AromaticContact CE2-CE3 3.88Å; Y913-W1115 HydrophobicContact CE2-CE3 3.88Å; Y913-W1115 AromaticContact CE2-CG 3.27Å; Y913-W1115 HydrophobicContact CE2-CG 3.27Å; Y913-W1115 HydrophobicContact CE2-CH2 4.49Å; Y913-W1115 HydrophobicContact CE2-CZ2 4.04Å; Y913-W1115 HydrophobicContact CE2-CZ3 4.45Å; Y913-W1115 AromaticContact CE2-NE1 3.56Å; Y913-W1115 HydrophobicContact CG-CB 4.12Å; Y913-W1115 HydrophobicContact CG-CG 4.43Å; Y913-W1115 AromaticContact CZ-CD1 3.48Å; Y913-W1115 VanDerWaalsContact CZ-CD1 3.48Å; Y913-W1115 AromaticContact CZ-CG 3.7Å; Y913-W1115 AromaticContact CZ-NE1 3.87Å; Y913-D1118 HydrophobicContact CE1-CB 3.93Å; Y913-D1118 PolarHBondContact OH-OD2 3.5Å
914R89.4Confident95Very high33 Ų335.1 Ų5.113%0.1252%0.022CC..THydrogen-bonded Turntrans4721.8-173.9-54.7-169.273.783.71116.8H618 Q619 D620 G912 E1083 D1084 R1120H618-R914 PolarHBondContact O-N 3.49Å; H618-R914 VanDerWaalsContact O-N 3.1Å; Q619-R914 HydrophobicContact CG-CB 4.23Å; Q619-R914 HydrophobicContact CG-CG 4.26Å; Q619-R914 PolarHBondContact O-NH1 3.47Å; D620-R914 IonicContact OD1-CZ 3.97Å; D620-R914 IonicContact OD1-NH1 2.69Å; D620-R914 PolarHBondContact OD1-NH1 3.26Å; D620-R914 IonicContact OD1-NH2 3.36Å; G912-R914 PolarHBondContact O-N 3.02Å; G912-R914 VanDerWaalsContact O-N 3.14Å; R914-E1083 HydrophobicContact CB-CB 4.1Å; R914-E1083 HydrophobicContact CB-CG 4.01Å; R914-E1083 WeakPolarHBondContact O-CA 3.44Å; R914-D1084 IonicContact CZ-OD1 2.67Å; R914-D1084 IonicContact CZ-OD2 2.98Å; R914-D1084 VanDerWaalsContact CZ-OD2 3.28Å; R914-D1084 IonicContact NE-OD1 3.64Å; R914-D1084 IonicContact NE-OD2 3.93Å; R914-D1084 PolarHBondContact NE-OD2 3Å; R914-D1084 IonicContact NH2-OD1 2.67Å; R914-D1084 IonicContact NH2-OD2 2.91Å; R914-D1084 PolarHBondContact NH2-OD2 3.45Å; R914-D1084 PolarHBondContact O-N 3.01Å; R914-R1120 VanDerWaalsContact CD-NH2 3.31Å
915Q91.3Very high95.2Very high4 Ų45.2 Ų5.22%0.0192%0.023CC..EExtended strand (participates in β ladder)trans-136.9111.7-175.6-177.9-177.88.200112.5G912 Y913 A918 Y1070 Y1082G912-Q915 PolarHBondContact N-O 3.17Å; G912-Q915 PolarHBondContact O-N 2.69Å; Y913-Q915 PolarHBondContact O-N 3.05Å; Q915-A918 HydrophobicContact CB-CB 4.03Å; Q915-A918 VanDerWaalsContact CD-CB 3.48Å; Q915-A918 HydrophobicContact CG-CB 3.73Å; Q915-Y1070 PolarHBondContact NE2-OH 3.26Å; Q915-Y1082 HydrophobicContact CB-CD2 4.13Å; Q915-Y1082 WeakPolarHBondContact CG-O 3.48Å
916K89.8Confident95.2Very high33 Ų335.5 Ų5.514%0.1432%0.024CC..EExtended strand (participates in β ladder)trans-66.1136.4173.6-164.282.2-165.1168.50110.9G614 D615 D911 A918 P1088G614-K916 WeakPolarHBondContact O-CB 3.45Å; G614-K916 WeakPolarHBondContact O-CD 3.39Å; G614-K916 WeakPolarHBondContact O-CG 3.29Å; D615-K916 VanDerWaalsContact C-CD 3.43Å; D615-K916 WeakPolarHBondContact O-CD 3.47Å; D615-K916 WeakPolarHBondContact O-CE 3.46Å; D615-K916 PolarHBondContact O-NZ 3.13Å; D911-K916 VanDerWaalsContact OD1-CA 3.31Å; D911-K916 WeakPolarHBondContact OD1-CA 3.39Å; D911-K916 VanDerWaalsContact OD1-CD 3.27Å; D911-K916 WeakPolarHBondContact OD1-CD 3.37Å; D911-K916 WeakPolarHBondContact OD1-CE 3.48Å; D911-K916 IonicContact OD1-NZ 2.8Å; D911-K916 WeakPolarHBondContact OD2-CE 3.32Å; D911-K916 IonicContact OD2-NZ 3.94Å; D911-K916 PolarHBondContact OD2-NZ 3.46Å; K916-A918 PolarHBondContact O-N 2.76Å; K916-P1088 HydrophobicContact CB-CG 3.87Å; K916-P1088 WeakPolarHBondContact O-CB 3.4Å
917N92.2Very high95.1Very high3 Ų36.8 Ų6.82%0.0163%0.034CC..EExtended strand (participates in β ladder)trans53.534.4179.3-50.6-62.1000114P612 W909 V910 D911 F919 P1091P612-N917 PolarHBondContact O-ND2 3.21Å; W909-N917 HydrophobicContact CD2-CB 4.29Å; W909-N917 HydrophobicContact CE3-CB 3.62Å; W909-N917 HydrophobicContact CZ3-CB 4.01Å; V910-N917 CarbonylContact O-C 3.54Å; D911-N917 PolarHBondContact OD1-N 2.88Å; N917-F919 PolarHBondContact O-N 2.92Å; N917-F919 VanDerWaalsContact O-N 3.14Å; N917-P1091 WeakPolarHBondContact O-CB 3.48Å
918A95.2Very high94.8Very high1 Ų18.9 Ų8.91%0.0084%0.043CC..EExtended strand (participates in β ladder)trans-56-30.8-179.800000112.9V910 G912 Q915 K916 P1091 V1092V910-A918 PolarHBondContact O-N 3.11Å; G912-A918 VanDerWaalsContact N-CB 3.33Å; Q915-A918 HydrophobicContact CB-CB 4.03Å; Q915-A918 VanDerWaalsContact CD-CB 3.48Å; Q915-A918 HydrophobicContact CG-CB 3.73Å; K916-A918 PolarHBondContact O-N 2.76Å; A918-P1091 WeakPolarHBondContact O-CA 3.41Å; A918-V1092 PolarHBondContact O-N 2.99Å
919F97.9Very high94.7Very high3 Ų39.1 Ų9.11%0.0135%0.045CC..EExtended strand (participates in β ladder)trans-124.4151.8-177.4-49.3-75.5000113.2V910 N917 V1092 V1094 V1107 D1110 I1111V910-F919 HydrophobicContact CB-CB 4.31Å; V910-F919 PolarHBondContact N-O 3.02Å; V910-F919 PolarHBondContact O-N 3.45Å; N917-F919 PolarHBondContact O-N 2.92Å; N917-F919 VanDerWaalsContact O-N 3.14Å; F919-V1092 VanDerWaalsContact CA-O 3.26Å; F919-V1092 WeakPolarHBondContact CA-O 3.34Å; F919-V1092 HydrophobicContact CD1-CB 4.11Å; F919-V1092 HydrophobicContact CE1-CB 4.47Å; F919-V1094 HydrophobicContact CD1-CG2 3.83Å; F919-V1094 HydrophobicContact CE1-CG2 4.48Å; F919-V1107 HydrophobicContact CD1-CG2 4.21Å; F919-V1107 HydrophobicContact CD2-CG1 3.74Å; F919-V1107 HydrophobicContact CD2-CG2 4.08Å; F919-V1107 HydrophobicContact CE1-CG2 4.45Å; F919-V1107 HydrophobicContact CE2-CB 4.48Å; F919-V1107 HydrophobicContact CE2-CG1 3.71Å; F919-V1107 HydrophobicContact CE2-CG2 4.32Å; F919-V1107 HydrophobicContact CG-CG1 4.49Å; F919-V1107 HydrophobicContact CG-CG2 4.02Å; F919-V1107 HydrophobicContact CZ-CG1 4.44Å; F919-V1107 HydrophobicContact CZ-CG2 4.48Å; F919-D1110 HydrophobicContact CZ-CB 4.2Å; F919-D1110 WeakPolarHBondContact CZ-OD2 3.47Å; F919-I1111 HydrophobicContact CE2-CG1 4.4Å
920I98Very high94.7Very high0 Ų08.7 Ų8.70%04%0.043CC..EExtended strand (participates in β ladder)trans-109.4114.2153.7-68.1172.8000107.7V850 A907 W909 M936 Y940 P1091 V1092 V1093 V1094V850-I920 HydrophobicContact CG1-CD1 4.36Å; V850-I920 HydrophobicContact CG2-CD1 4.18Å; V850-I920 HydrophobicContact CG2-CG1 4.03Å; V850-I920 HydrophobicContact CG2-CG2 3.81Å; A907-I920 HydrophobicContact CB-CG2 3.76Å; W909-I920 HydrophobicContact CD2-CG1 4.35Å; W909-I920 HydrophobicContact CE3-CD1 4.25Å; W909-I920 HydrophobicContact CE3-CG1 3.61Å; W909-I920 HydrophobicContact CH2-CD1 3.89Å; W909-I920 HydrophobicContact CH2-CG1 4.19Å; W909-I920 HydrophobicContact CZ3-CD1 3.73Å; W909-I920 HydrophobicContact CZ3-CG1 3.55Å; I920-M936 HydrophobicContact CD1-CG 4.35Å; I920-M936 HydrophobicContact CD1-SD 4.38Å; I920-M936 HydrophobicContact CG2-CE 3.81Å; I920-M936 HydrophobicContact CG2-SD 3.81Å; I920-Y940 HydrophobicContact CD1-CD2 4.44Å; I920-P1091 HydrophobicContact CD1-CB 4.42Å; I920-P1091 HydrophobicContact CD1-CG 3.67Å; I920-P1091 HydrophobicContact CG1-CB 4.1Å; I920-P1091 HydrophobicContact CG1-CG 3.91Å; I920-V1092 PolarHBondContact N-O 2.97Å; I920-V1093 HydrophobicContact CB-CG2 4.19Å; I920-V1093 HydrophobicContact CD1-CG2 4.41Å; I920-V1094 PolarHBondContact O-N 3.46Å
921C98.5Very high94.6Very high0 Ų08.7 Ų8.70%04%0.043CC..EExtended strand (participates in β ladder)trans-91.7116.1174.2-70.40000110A907 N908 V910 V1094 T1103 R1139A907-C921 WeakPolarHBondContact CA-O 3.17Å; N908-C921 PolarHBondContact N-O 2.7Å; N908-C921 PolarHBondContact O-N 3.26Å; V910-C921 HydrophobicContact CG2-CB 3.96Å; C921-V1094 WeakPolarHBondContact CA-O 3.41Å; C921-T1103 HydrophobicContact CB-CG2 3.95Å; C921-R1139 HydrophobicContact CB-CB 4.33Å; C921-R1139 HydrophobicContact CB-CG 3.88Å
922T98.5Very high94.6Very high3 Ų38.8 Ų8.82%0.0184%0.044CC..EExtended strand (participates in β ladder)trans-134.6159.5-173-172.10000113H906 F933 M936 V1093 V1094 H1095 G1099H906-T922 PolarHBondContact O-OG1 3.46Å; T922-F933 HydrophobicContact CG2-CE2 4.15Å; T922-M936 HydrophobicContact CG2-CE 4.33Å; T922-V1093 HydrophobicContact CG2-CG1 3.88Å; T922-V1094 PolarHBondContact N-O 3.09Å; T922-V1094 VanDerWaalsContact N-O 3.15Å; T922-H1095 HydrophobicContact CG2-CB 3.72Å; T922-H1095 WeakPolarHBondContact O-CA 3.36Å; T922-H1095 WeakPolarHBondContact O-CB 3.37Å; T922-G1099 WeakPolarHBondContact O-CA 3.07Å
923Q97.1Very high94.7Very high5 Ų58.9 Ų8.92%0.0234%0.044CC..PPolyproline II helixtrans-67.9161.917167175.213.700111.7K836 R838 H906 P925K836-Q923 PolarHBondContact O-NE2 3.34Å; R838-Q923 VanDerWaalsContact CB-OE1 3.29Å; H906-Q923 HydrophobicContact CB-CG 4.17Å; H906-Q923 PolarHBondContact O-N 2.83Å; Q923-P925 WeakPolarHBondContact O-CD 3.38Å
924G97.2Very high94.9Very high0 Ų08.7 Ų8.70%04%0.043CC..PPolyproline II helixtrans-65.3120.1168.600000110.4R838 C1096 S1097R838-G924 PolarHBondContact NE-O 2.91Å; R838-G924 PolarHBondContact NH2-O 3.27Å; G924-C1096 VanDerWaalsContact CA-O 3.22Å; G924-C1096 WeakPolarHBondContact CA-O 3.38Å; G924-C1096 PolarHBondContact N-O 2.78Å; G924-C1096 VanDerWaalsContact N-O 3.11Å; G924-S1097 PolarHBondContact N-O 2.77Å
925P97.2Very high95.1Very high2 Ų27.5 Ų7.51%0.0134%0.039CC..PPolyproline II helixtrans-48.7141.4-173.4-33.837.9000114.1R838 Q923 F933 Y960 Y962R838-P925 PolarHBondContact NH2-O 3.14Å; Q923-P925 WeakPolarHBondContact O-CD 3.38Å; P925-F933 HydrophobicContact CB-CB 4.3Å; P925-F933 HydrophobicContact CB-CG 4.32Å; P925-F933 HydrophobicContact CG-CB 4.01Å; P925-F933 HydrophobicContact CG-CD1 3.98Å; P925-F933 HydrophobicContact CG-CD2 3.48Å; P925-F933 VanDerWaalsContact CG-CD2 3.48Å; P925-F933 HydrophobicContact CG-CE1 4.32Å; P925-F933 HydrophobicContact CG-CE2 3.84Å; P925-F933 HydrophobicContact CG-CG 3.54Å; P925-F933 HydrophobicContact CG-CZ 4.24Å; P925-Y960 WeakPolarHBondContact O-CB 3.2Å; P925-Y960 PolarHBondContact O-N 3.43Å; P925-Y962 HydrophobicContact CB-CD1 4.08Å; P925-Y962 HydrophobicContact CB-CG 4.48Å; P925-Y962 HydrophobicContact CG-CD1 3.73Å; P925-Y962 HydrophobicContact CG-CE1 4.05Å; P925-Y962 HydrophobicContact CG-CG 4.23Å
926L95.2Very high95.3Very high11 Ų117.3 Ų7.36%0.0584%0.038CC..PPolyproline II helixtrans-89.8164.5172.9-66.9164.6000110K836 R838 E928 T929 V930K836-L926 WeakPolarHBondContact O-CD1 3.21Å; R838-L926 HydrophobicContact CB-CD1 4.39Å; R838-L926 HydrophobicContact CB-CD2 4.02Å; R838-L926 HydrophobicContact CB-CG 4.32Å; R838-L926 HydrophobicContact CG-CD2 4.15Å; L926-E928 PolarHBondContact O-N 3.03Å; L926-T929 HydrophobicContact CB-CG2 4.16Å; L926-T929 HydrophobicContact CD1-CG2 4.09Å; L926-T929 PolarHBondContact N-OG1 2.71Å; L926-T929 PolarHBondContact O-N 2.86Å; L926-T929 VanDerWaalsContact O-N 3.17Å; L926-V930 PolarHBondContact O-N 3.29Å
927S92.8Very high95.6Very high30 Ų305.8 Ų5.821%0.213%0.032CC..G310 helixtrans-54.8-39.3165.925.90000111.4T929 T978 G979S927-T929 VanDerWaalsContact C-N 3.31Å; S927-T929 PolarHBondContact O-N 3.2Å; S927-T978 CarbonylContact O-C 3.5Å; S927-T978 WeakPolarHBondContact O-CA 3.47Å; S927-G979 PolarHBondContact O-N 2.95Å
928E91.1Very high95.7Very high44 Ų446.3 Ų6.321%0.2063%0.033CC..G310 helixtrans-78.5-9.5-179-54.573.5-121.200114L926 T978 R1206L926-E928 PolarHBondContact O-N 3.03Å; E928-T978 HydrophobicContact CG-CG2 4.18Å; E928-R1206 IonicContact OE2-NH2 3.52Å; E928-R1206 PolarHBondContact OE2-NH2 3.32Å
929T94.9Very high95.6Very high4 Ų46.8 Ų6.83%0.0254%0.036CC..G310 helixtrans-127.217.9-174.975.40000112.9K836 L926 S927 F933K836-T929 HydrophobicContact CB-CG2 3.83Å; K836-T929 HydrophobicContact CG-CG2 4.07Å; L926-T929 HydrophobicContact CB-CG2 4.16Å; L926-T929 HydrophobicContact CD1-CG2 4.09Å; L926-T929 PolarHBondContact N-OG1 2.71Å; L926-T929 PolarHBondContact O-N 2.86Å; L926-T929 VanDerWaalsContact O-N 3.17Å; S927-T929 VanDerWaalsContact C-N 3.31Å; S927-T929 PolarHBondContact O-N 3.2Å; T929-F933 WeakPolarHBondContact O-CB 3.45Å; T929-F933 PolarHBondContact O-N 3.4Å
930V95.1Very high95.3Very high0 Ų06.6 Ų6.60%04%0.035CC..Hα-helixtrans-74.6-36.5-176.766.50000112.2L926 W934 Y960 F973L926-V930 PolarHBondContact O-N 3.29Å; V930-W934 VanDerWaalsContact O-CD1 3.28Å; V930-W934 PolarHBondContact O-N 3.45Å; V930-Y960 HydrophobicContact CB-CD1 4.42Å; V930-Y960 HydrophobicContact CG2-CD1 4.3Å; V930-Y960 HydrophobicContact CG2-CE1 4.44Å; V930-F973 HydrophobicContact CB-CD1 4.23Å; V930-F973 HydrophobicContact CB-CE1 4.29Å; V930-F973 HydrophobicContact CG1-CD1 3.52Å; V930-F973 HydrophobicContact CG1-CE1 3.81Å; V930-F973 HydrophobicContact CG1-CG 4.38Å; V930-F973 HydrophobicContact CG2-CD1 3.67Å; V930-F973 HydrophobicContact CG2-CD2 4.41Å; V930-F973 HydrophobicContact CG2-CE1 3.45Å; V930-F973 VanDerWaalsContact CG2-CE1 3.45Å; V930-F973 HydrophobicContact CG2-CE2 4.24Å; V930-F973 HydrophobicContact CG2-CG 4.14Å; V930-F973 HydrophobicContact CG2-CZ 3.76Å
931G93.5Very high95.1Very high0 Ų08.6 Ų8.60%04%0.044CC..Hα-helixtrans-64.5-53.917000000111.5F933 W934 Q935 S974G931-F933 PolarHBondContact O-N 2.95Å; G931-W934 PolarHBondContact O-N 2.76Å; G931-Q935 PolarHBondContact O-N 2.97Å; G931-S974 WeakPolarHBondContact CA-O 3.32Å
932D94.8Very high95Very high3 Ų38.7 Ų8.72%0.0165%0.045CC..Hα-helixtrans-49.7-41.9175.2-63.429.7000112.6K836 L852 I905 Q935 M936 S976K836-D932 WeakPolarHBondContact CE-OD2 3.36Å; K836-D932 IonicContact NZ-OD2 2.64Å; K836-D932 PolarHBondContact NZ-OD2 3.25Å; L852-D932 HydrophobicContact CD1-CB 3.84Å; L852-D932 WeakPolarHBondContact CD2-O 3.4Å; I905-D932 HydrophobicContact CD1-CB 4.29Å; D932-Q935 PolarHBondContact O-N 3.49Å; D932-M936 PolarHBondContact O-N 2.68Å; D932-S976 PolarHBondContact OD1-N 3.11Å
933F97.3Very high94.9Very high1 Ų19 Ų90%0.0045%0.047CC..Hα-helixtrans-63.9-50.8175.1176-96.4000112.2T922 P925 T929 G931 Q935 M936 I937 I945 Y962 V1093T922-F933 HydrophobicContact CG2-CE2 4.15Å; P925-F933 HydrophobicContact CB-CB 4.3Å; P925-F933 HydrophobicContact CB-CG 4.32Å; P925-F933 HydrophobicContact CG-CB 4.01Å; P925-F933 HydrophobicContact CG-CD1 3.98Å; P925-F933 HydrophobicContact CG-CD2 3.48Å; P925-F933 VanDerWaalsContact CG-CD2 3.48Å; P925-F933 HydrophobicContact CG-CE1 4.32Å; P925-F933 HydrophobicContact CG-CE2 3.84Å; P925-F933 HydrophobicContact CG-CG 3.54Å; P925-F933 HydrophobicContact CG-CZ 4.24Å; T929-F933 WeakPolarHBondContact O-CB 3.45Å; T929-F933 PolarHBondContact O-N 3.4Å; G931-F933 PolarHBondContact O-N 2.95Å; F933-Q935 VanDerWaalsContact C-N 3.26Å; F933-Q935 PolarHBondContact O-N 3.1Å; F933-M936 HydrophobicContact CD2-CE 4.11Å; F933-M936 HydrophobicContact CE2-CE 4.22Å; F933-M936 WeakPolarHBondContact O-CB 3.43Å; F933-M936 PolarHBondContact O-N 3.47Å; F933-M936 VanDerWaalsContact O-N 3.09Å; F933-I937 HydrophobicContact CD1-CG1 4.31Å; F933-I937 HydrophobicContact CE1-CD1 4.15Å; F933-I937 HydrophobicContact CE1-CG1 3.99Å; F933-I937 HydrophobicContact CE2-CD1 4.3Å; F933-I937 HydrophobicContact CZ-CD1 3.92Å; F933-I937 HydrophobicContact CZ-CG1 4.28Å; F933-I937 WeakPolarHBondContact O-CG1 3.32Å; F933-I937 PolarHBondContact O-N 2.88Å; F933-I945 HydrophobicContact CE1-CD1 4.12Å; F933-I945 HydrophobicContact CZ-CD1 4.11Å; F933-I945 HydrophobicContact CZ-CG2 4.21Å; F933-Y962 HydrophobicContact CD1-CD2 4.1Å; F933-Y962 HydrophobicContact CD1-CE2 4.45Å; F933-Y962 HydrophobicContact CD1-CG 4.43Å; F933-Y962 AromaticContact CE1-CD2 3.61Å; F933-Y962 HydrophobicContact CE1-CD2 3.61Å; F933-Y962 AromaticContact CE1-CE2 3.54Å; F933-Y962 HydrophobicContact CE1-CE2 3.54Å; F933-Y962 HydrophobicContact CE1-CG 4.25Å; F933-Y962 HydrophobicContact CZ-CD2 4.42Å; F933-Y962 AromaticContact CZ-CE2 3.98Å; F933-Y962 HydrophobicContact CZ-CE2 3.98Å; F933-V1093 HydrophobicContact CE2-CG1 4.06Å; F933-V1093 HydrophobicContact CZ-CG1 4.42Å
934W96.5Very high95Very high2 Ų28.7 Ų8.71%0.0085%0.045CC..Hα-helixtrans-65-30.6178.1-78.7117.5000113.2V930 G931 I937 W938 I945 Y962 W963 F973 F1008 I1010 L1026 I1028V930-W934 VanDerWaalsContact O-CD1 3.28Å; V930-W934 PolarHBondContact O-N 3.45Å; G931-W934 PolarHBondContact O-N 2.76Å; W934-I937 HydrophobicContact CE3-CB 4Å; W934-I937 HydrophobicContact CE3-CG1 3.8Å; W934-I937 HydrophobicContact CE3-CG2 4.19Å; W934-I937 HydrophobicContact CZ3-CB 4.37Å; W934-I937 HydrophobicContact CZ3-CG1 4.06Å; W934-I937 HydrophobicContact CZ3-CG2 4.12Å; W934-I937 PolarHBondContact O-N 3.27Å; W934-W938 PolarHBondContact O-N 3.17Å; W934-I945 HydrophobicContact CH2-CD1 3.94Å; W934-I945 HydrophobicContact CZ3-CD1 3.95Å; W934-Y962 AromaticContact CZ2-CD2 3.74Å; W934-Y962 HydrophobicContact CZ2-CD2 3.74Å; W934-Y962 HydrophobicContact CZ2-CE2 4.26Å; W934-Y962 PolarHBondContact NE1-O 2.86Å; W934-W963 HydrophobicContact CZ2-CB 4.25Å; W934-F973 AromaticContact CD1-CD2 3.35Å; W934-F973 AromaticContact CD1-CE2 3.77Å; W934-F973 HydrophobicContact CG-CD2 4.34Å; W934-F973 AromaticContact NE1-CD2 3.59Å; W934-F973 AromaticContact NE1-CE2 3.49Å; W934-F1008 HydrophobicContact CB-CD2 4.17Å; W934-F1008 HydrophobicContact CB-CG 4.39Å; W934-I1010 HydrophobicContact CB-CD1 4.42Å; W934-I1010 HydrophobicContact CD2-CD1 3.42Å; W934-I1010 VanDerWaalsContact CD2-CD1 3.42Å; W934-I1010 HydrophobicContact CD2-CG1 4.05Å; W934-I1010 HydrophobicContact CE3-CD1 3.74Å; W934-I1010 HydrophobicContact CG-CD1 3.73Å; W934-I1010 HydrophobicContact CG-CG1 4.29Å; W934-I1010 HydrophobicContact CH2-CD1 4.41Å; W934-I1010 HydrophobicContact CH2-CG2 3.94Å; W934-I1010 HydrophobicContact CZ2-CD1 4.12Å; W934-I1010 HydrophobicContact CZ2-CG1 4.1Å; W934-I1010 HydrophobicContact CZ2-CG2 3.67Å; W934-I1010 HydrophobicContact CZ3-CD1 4.23Å; W934-L1026 HydrophobicContact CH2-CD1 3.75Å; W934-L1026 HydrophobicContact CZ2-CD1 4.31Å; W934-I1028 HydrophobicContact CE3-CG2 3.89Å; W934-I1028 HydrophobicContact CH2-CG2 4.27Å; W934-I1028 HydrophobicContact CZ3-CG2 3.57Å
935Q93.9Very high95Very high9 Ų98.7 Ų8.74%0.0425%0.045CC..Hα-helixtrans-64.5-43.4170.3-157.9-159.7-55.800111.5Q853 L855 G931 D932 F933 I937 W938 D939 S975 F1008Q853-Q935 PolarHBondContact O-NE2 3.34Å; L855-Q935 HydrophobicContact CD1-CG 4.32Å; L855-Q935 HydrophobicContact CD2-CG 4.05Å; L855-Q935 HydrophobicContact CG-CG 4.22Å; G931-Q935 PolarHBondContact O-N 2.97Å; D932-Q935 PolarHBondContact O-N 3.49Å; F933-Q935 VanDerWaalsContact C-N 3.26Å; F933-Q935 PolarHBondContact O-N 3.1Å; Q935-I937 VanDerWaalsContact C-N 3.33Å; Q935-I937 PolarHBondContact O-N 3.31Å; Q935-W938 WeakPolarHBondContact O-CA 3.38Å; Q935-W938 WeakPolarHBondContact O-CB 3.49Å; Q935-W938 PolarHBondContact O-N 3.13Å; Q935-D939 PolarHBondContact NE2-OD2 3.25Å; Q935-D939 WeakPolarHBondContact O-CB 3.44Å; Q935-D939 VanDerWaalsContact O-CG 3.27Å; Q935-D939 PolarHBondContact O-N 2.89Å; Q935-S975 WeakPolarHBondContact CB-OG 3.27Å; Q935-S975 PolarHBondContact OE1-OG 3.12Å; Q935-F1008 HydrophobicContact CB-CE2 3.84Å; Q935-F1008 HydrophobicContact CB-CZ 4.14Å; Q935-F1008 HydrophobicContact CG-CE2 4.06Å; Q935-F1008 HydrophobicContact CG-CZ 4Å
936M95.3Very high95.1Very high0 Ų08.6 Ų8.60%05%0.045CC..Hα-helixtrans-60.3-40.4174.6-173.2-170.973.300112.3V850 L852 I905 A907 I920 T922 D932 F933 W938 Y940 V1093V850-M936 HydrophobicContact CB-SD 4.32Å; V850-M936 HydrophobicContact CG1-CG 3.79Å; V850-M936 HydrophobicContact CG1-SD 3.96Å; L852-M936 HydrophobicContact CD2-CB 3.95Å; I905-M936 HydrophobicContact CD1-CB 4.12Å; I905-M936 HydrophobicContact CD1-SD 3.91Å; I905-M936 HydrophobicContact CG2-SD 4.15Å; A907-M936 HydrophobicContact CB-SD 3.78Å; I920-M936 HydrophobicContact CD1-CG 4.35Å; I920-M936 HydrophobicContact CD1-SD 4.38Å; I920-M936 HydrophobicContact CG2-CE 3.81Å; I920-M936 HydrophobicContact CG2-SD 3.81Å; T922-M936 HydrophobicContact CG2-CE 4.33Å; D932-M936 PolarHBondContact O-N 2.68Å; F933-M936 HydrophobicContact CD2-CE 4.11Å; F933-M936 HydrophobicContact CE2-CE 4.22Å; F933-M936 WeakPolarHBondContact O-CB 3.43Å; F933-M936 PolarHBondContact O-N 3.47Å; F933-M936 VanDerWaalsContact O-N 3.09Å; M936-W938 VanDerWaalsContact C-N 3.28Å; M936-W938 PolarHBondContact O-N 3.04Å; M936-Y940 HydrophobicContact CG-CD2 4.2Å; M936-Y940 PolarHBondContact O-N 3.48Å; M936-V1093 HydrophobicContact CE-CG1 3.93Å; M936-V1093 HydrophobicContact CE-CG2 4.36Å
937I96.6Very high95.2Very high1 Ų18.2 Ų8.21%0.0054%0.043CC..Hα-helixtrans-59.2-42172.3-56.7-50.1000110.7F933 W934 Q935 H941 C942 I945 I1028 V1039 V1093F933-I937 HydrophobicContact CD1-CG1 4.31Å; F933-I937 HydrophobicContact CE1-CD1 4.15Å; F933-I937 HydrophobicContact CE1-CG1 3.99Å; F933-I937 HydrophobicContact CE2-CD1 4.3Å; F933-I937 HydrophobicContact CZ-CD1 3.92Å; F933-I937 HydrophobicContact CZ-CG1 4.28Å; F933-I937 WeakPolarHBondContact O-CG1 3.32Å; F933-I937 PolarHBondContact O-N 2.88Å; W934-I937 HydrophobicContact CE3-CB 4Å; W934-I937 HydrophobicContact CE3-CG1 3.8Å; W934-I937 HydrophobicContact CE3-CG2 4.19Å; W934-I937 HydrophobicContact CZ3-CB 4.37Å; W934-I937 HydrophobicContact CZ3-CG1 4.06Å; W934-I937 HydrophobicContact CZ3-CG2 4.12Å; W934-I937 PolarHBondContact O-N 3.27Å; Q935-I937 VanDerWaalsContact C-N 3.33Å; Q935-I937 PolarHBondContact O-N 3.31Å; I937-H941 PolarHBondContact O-N 3.45Å; I937-H941 VanDerWaalsContact O-N 3.16Å; I937-C942 HydrophobicContact CD1-CB 4.28Å; I937-C942 HydrophobicContact CG2-CB 4.24Å; I937-C942 PolarHBondContact O-N 3.05Å; I937-I945 HydrophobicContact CD1-CD1 3.81Å; I937-I945 HydrophobicContact CD1-CG1 3.87Å; I937-I945 HydrophobicContact CG1-CD1 4.03Å; I937-I1028 HydrophobicContact CG2-CD1 3.99Å; I937-V1039 HydrophobicContact CG2-CG2 3.96Å; I937-V1093 HydrophobicContact CD1-CB 4.18Å; I937-V1093 HydrophobicContact CD1-CG1 4.19Å; I937-V1093 HydrophobicContact CD1-CG2 3.71Å
938W94.3Very high95.4Very high13 Ų136.8 Ų6.85%0.0493%0.033CC..Hα-helixtrans-71.1-53.2-177.9-172.5-88.9000113.5W934 Q935 M936 Y940 H941 F1008 I1028 H1030 E1035 R1037W934-W938 PolarHBondContact O-N 3.17Å; Q935-W938 WeakPolarHBondContact O-CA 3.38Å; Q935-W938 WeakPolarHBondContact O-CB 3.49Å; Q935-W938 PolarHBondContact O-N 3.13Å; M936-W938 VanDerWaalsContact C-N 3.28Å; M936-W938 PolarHBondContact O-N 3.04Å; W938-Y940 PolarHBondContact O-N 2.63Å; W938-H941 PolarHBondContact O-N 2.7Å; W938-H941 VanDerWaalsContact O-N 3.17Å; W938-F1008 HydrophobicContact CB-CE1 3.69Å; W938-F1008 HydrophobicContact CB-CZ 3.97Å; W938-F1008 AromaticContact CD2-CE1 3.92Å; W938-F1008 HydrophobicContact CD2-CE1 3.92Å; W938-F1008 HydrophobicContact CE3-CD1 4.45Å; W938-F1008 HydrophobicContact CE3-CE1 4.15Å; W938-F1008 AromaticContact CG-CE1 3.68Å; W938-F1008 HydrophobicContact CG-CE1 3.68Å; W938-F1008 HydrophobicContact CG-CZ 4.21Å; W938-I1028 HydrophobicContact CE3-CD1 3.89Å; W938-I1028 HydrophobicContact CE3-CG1 4.21Å; W938-I1028 HydrophobicContact CZ3-CD1 4.23Å; W938-I1028 HydrophobicContact CZ3-CG1 4.1Å; W938-H1030 AromaticContact CD1-CD2 3.95Å; W938-H1030 HydrophobicContact CD2-CB 4.1Å; W938-H1030 AromaticContact CE2-CD2 3.66Å; W938-H1030 HydrophobicContact CE3-CB 4.14Å; W938-H1030 HydrophobicContact CH2-CB 3.61Å; W938-H1030 HydrophobicContact CZ2-CB 3.52Å; W938-H1030 HydrophobicContact CZ3-CB 3.91Å; W938-H1030 AromaticContact NE1-CD2 3.48Å; W938-H1030 PolarHBondContact NE1-CD2 2.86Å; W938-E1035 HydrophobicContact CH2-CB 3.47Å; W938-E1035 VanDerWaalsContact CH2-CB 3.47Å; W938-E1035 HydrophobicContact CZ2-CB 3.6Å; W938-E1035 HydrophobicContact CZ2-CG 4.43Å; W938-E1035 VanDerWaalsContact CZ2-OE2 3.29Å; W938-E1035 WeakPolarHBondContact CZ2-OE2 3.34Å; W938-R1037 VanDerWaalsContact CE2-NH2 3.34Å; W938-R1037 HydrophobicContact CH2-CG 4.03Å; W938-R1037 VanDerWaalsContact CZ2-CZ 3.48Å; W938-R1037 VanDerWaalsContact CZ2-NH2 3.25Å; W938-R1037 HydrophobicContact CZ3-CB 4.46Å; W938-R1037 HydrophobicContact CZ3-CG 3.99Å; W938-R1037 PolarHBondContact O-NH1 3.5Å
939D91.1Very high95.5Very high11 Ų115 Ų56%0.0592%0.024CC..Hα-helixtrans-58.4-39-175.1-71-8.9000111.2W607 Q853 Q935W607-D939 VanDerWaalsContact CA-O 3.31Å; W607-D939 WeakPolarHBondContact CA-O 3.24Å; W607-D939 VanDerWaalsContact CB-O 3.3Å; W607-D939 WeakPolarHBondContact CB-O 3.46Å; Q853-D939 WeakPolarHBondContact CB-OD2 3.19Å; Q853-D939 HydrophobicContact CG-CB 4.14Å; Q853-D939 PolarHBondContact N-OD2 2.94Å; Q935-D939 PolarHBondContact NE2-OD2 3.25Å; Q935-D939 WeakPolarHBondContact O-CB 3.44Å; Q935-D939 VanDerWaalsContact O-CG 3.27Å; Q935-D939 PolarHBondContact O-N 2.89Å
940Y92.5Very high95.3Very high0 Ų010.6 Ų10.60%05%0.045CC..THydrogen-bonded Turntrans-101.78.9-178.5-63.5-67.1000114.4W607 R611 V850 Y851 W909 I920 M936 W938 C942W607-Y940 WeakPolarHBondContact O-CD1 3.43Å; R611-Y940 HydrophobicContact CG-CD1 4.33Å; R611-Y940 HydrophobicContact CG-CE1 4.2Å; R611-Y940 PolarHBondContact NH2-O 2.68Å; V850-Y940 HydrophobicContact CG1-CD2 3.86Å; V850-Y940 HydrophobicContact CG1-CE2 3.29Å; Y851-Y940 VanDerWaalsContact O-CE2 3.3Å; Y851-Y940 WeakPolarHBondContact O-CE2 3.24Å; Y851-Y940 PolarHBondContact O-OH 2.74Å; W909-Y940 AromaticContact CH2-CD1 3.56Å; W909-Y940 HydrophobicContact CH2-CD1 3.56Å; W909-Y940 HydrophobicContact CH2-CD2 4.31Å; W909-Y940 AromaticContact CH2-CE1 3.84Å; W909-Y940 HydrophobicContact CH2-CE1 3.84Å; W909-Y940 AromaticContact CH2-CG 3.79Å; W909-Y940 HydrophobicContact CH2-CG 3.79Å; W909-Y940 AromaticContact CZ2-CD1 3.76Å; W909-Y940 HydrophobicContact CZ2-CD1 3.76Å; W909-Y940 HydrophobicContact CZ2-CD2 4.35Å; W909-Y940 AromaticContact CZ2-CE1 3.5Å; W909-Y940 HydrophobicContact CZ2-CE1 3.5Å; W909-Y940 HydrophobicContact CZ2-CE2 4.13Å; W909-Y940 HydrophobicContact CZ2-CG 4.15Å; W909-Y940 AromaticContact CZ2-CZ 3.67Å; I920-Y940 HydrophobicContact CD1-CD2 4.44Å; M936-Y940 HydrophobicContact CG-CD2 4.2Å; M936-Y940 PolarHBondContact O-N 3.48Å; W938-Y940 PolarHBondContact O-N 2.63Å; Y940-C942 PolarHBondContact O-N 2.98Å
941H93.9Very high95Very high42 Ų4213.2 Ų13.219%0.1946%0.059CC..THydrogen-bonded Turntrans54.237.4174.3-161.4-63.6000113.3W607 I937 W938 P943 P1090W607-H941 HydrophobicContact CB-CB 3.79Å; W607-H941 AromaticContact CD1-CD2 3.86Å; W607-H941 AromaticContact CD1-CG 3.99Å; W607-H941 HydrophobicContact CD2-CB 4.17Å; W607-H941 HydrophobicContact CG-CB 3.65Å; I937-H941 PolarHBondContact O-N 3.45Å; I937-H941 VanDerWaalsContact O-N 3.16Å; W938-H941 PolarHBondContact O-N 2.7Å; W938-H941 VanDerWaalsContact O-N 3.17Å; H941-P943 VanDerWaalsContact O-CD 3.25Å; H941-P943 WeakPolarHBondContact O-CD 3.27Å; H941-P1090 HydrophobicContact CB-CG 4.38Å; H941-P1090 WeakPolarHBondContact O-CB 3.32Å
942C96Very high94.7Very high2 Ų218.2 Ų18.21%0.0149%0.085CC..  trans-68115.3-171.8-50.30000111I937 Y940 V1039 V1093I937-C942 HydrophobicContact CD1-CB 4.28Å; I937-C942 HydrophobicContact CG2-CB 4.24Å; I937-C942 PolarHBondContact O-N 3.05Å; Y940-C942 PolarHBondContact O-N 2.98Å; C942-V1039 WeakPolarHBondContact O-CG2 3.4Å; C942-V1093 HydrophobicContact CB-CG2 3.64Å; C942-V1093 VanDerWaalsContact SG-CG2 3.59Å
943P96.8Very high94.2Very high8 Ų818.1 Ų18.15%0.0528%0.084CC..  trans-82.9-18.9-173.732.6-35.7000112.8H941 V1039 E1040 Y1070 E1073H941-P943 VanDerWaalsContact O-CD 3.25Å; H941-P943 WeakPolarHBondContact O-CD 3.27Å; P943-V1039 CarbonylContact O-C 3.54Å; P943-V1039 WeakPolarHBondContact O-CA 3.31Å; P943-E1040 PolarHBondContact O-N 3.43Å; P943-Y1070 HydrophobicContact CG-CD2 4.28Å; P943-Y1070 HydrophobicContact CG-CE2 4.17Å; P943-E1073 HydrophobicContact CB-CB 3.79Å; P943-E1073 HydrophobicContact CB-CG 4.1Å; P943-E1073 HydrophobicContact CG-CB 4.31Å
944I98.5Very high93.3Very high0 Ų020.9 Ų20.90%011%0.107CC..EExtended strand (participates in β ladder)trans-135.4138-175.6-57.1-174.2000110.9V946 E1040 F1042 V1066 T1069 Y1070 V1092 V1093I944-V946 HydrophobicContact CG2-CG2 3.99Å; I944-E1040 VanDerWaalsContact CA-O 3.31Å; I944-E1040 WeakPolarHBondContact CA-O 3.31Å; I944-E1040 HydrophobicContact CG1-CB 4.38Å; I944-F1042 HydrophobicContact CG2-CD2 3.76Å; I944-F1042 HydrophobicContact CG2-CE2 3.91Å; I944-V1066 HydrophobicContact CD1-CG1 4.5Å; I944-V1066 HydrophobicContact CG2-CG1 4.26Å; I944-T1069 HydrophobicContact CD1-CG2 3.78Å; I944-T1069 HydrophobicContact CG1-CG2 4.45Å; I944-Y1070 HydrophobicContact CD1-CD2 4.19Å; I944-V1092 HydrophobicContact CB-CG1 4.21Å; I944-V1092 HydrophobicContact CB-CG2 4.42Å; I944-V1092 HydrophobicContact CG2-CG1 4.05Å; I944-V1093 PolarHBondContact O-N 2.96Å
945I98.7Very high92.3Very high0 Ų029.4 Ų29.40%015%0.147CC..EExtended strand (participates in β ladder)trans-119.5128.1169.5-58.6166.9000108.6F933 W934 I937 Y962 V1039 E1040 H1041 F1042 V1093F933-I945 HydrophobicContact CE1-CD1 4.12Å; F933-I945 HydrophobicContact CZ-CD1 4.11Å; F933-I945 HydrophobicContact CZ-CG2 4.21Å; W934-I945 HydrophobicContact CH2-CD1 3.94Å; W934-I945 HydrophobicContact CZ3-CD1 3.95Å; I937-I945 HydrophobicContact CD1-CD1 3.81Å; I937-I945 HydrophobicContact CD1-CG1 3.87Å; I937-I945 HydrophobicContact CG1-CD1 4.03Å; I945-Y962 WeakPolarHBondContact CG2-OH 3.41Å; I945-V1039 HydrophobicContact CD1-CG1 3.79Å; I945-V1039 HydrophobicContact CG1-CG1 3.82Å; I945-E1040 PolarHBondContact N-O 3.35Å; I945-H1041 WeakPolarHBondContact O-CA 3.44Å; I945-F1042 PolarHBondContact O-N 3.46Å; I945-V1093 CarbonylContact C-O 3.5Å; I945-V1093 WeakPolarHBondContact CA-O 3.37Å; I945-V1093 HydrophobicContact CG1-CB 4.36Å
946V98.6Very high91.6Very high0 Ų034 Ų340%016%0.164CC..EExtended strand (participates in β ladder)trans-114.6111.3177-172.40000109.5I944 I948 L1062 V1066 V1092 V1093 V1094 H1095 Y1106I944-V946 HydrophobicContact CG2-CG2 3.99Å; V946-I948 HydrophobicContact CG1-CD1 3.99Å; V946-I948 HydrophobicContact CG1-CG1 3.82Å; V946-L1062 HydrophobicContact CG1-CD2 4.24Å; V946-V1066 HydrophobicContact CG2-CG1 4.01Å; V946-V1066 HydrophobicContact CG2-CG2 3.82Å; V946-V1092 HydrophobicContact CG2-CG1 3.69Å; V946-V1093 PolarHBondContact N-O 2.83Å; V946-V1094 HydrophobicContact CB-CG1 4.38Å; V946-V1094 HydrophobicContact CB-CG2 4.4Å; V946-H1095 PolarHBondContact O-N 3.34Å; V946-Y1106 HydrophobicContact CG1-CE2 4.17Å
947M97.9Very high91.3Very high3 Ų337 Ų372%0.01519%0.185CC..EExtended strand (participates in β ladder)trans-104.9107.2-178.6172.9159.517500110.5T949 I951 C959 Y962 W963 F1042 F1044 H1095M947-T949 HydrophobicContact CE-CG2 3.95Å; M947-T949 WeakPolarHBondContact CE-O 3.49Å; M947-T949 HydrophobicContact CG-CG2 4.35Å; M947-I951 HydrophobicContact CE-CG1 3.95Å; M947-C959 HydrophobicContact CE-CB 3.8Å; M947-Y962 HydrophobicContact SD-CE1 3.97Å; M947-W963 HydrophobicContact CE-CH2 3.62Å; M947-W963 HydrophobicContact CE-CZ3 3.9Å; M947-W963 HydrophobicContact SD-CE3 4.44Å; M947-W963 HydrophobicContact SD-CH2 3.4Å; M947-W963 WeakPolarHBondContact SD-CH2 3.14Å; M947-W963 HydrophobicContact SD-CZ2 4.36Å; M947-W963 HydrophobicContact SD-CZ3 3.45Å; M947-W963 WeakPolarHBondContact SD-CZ3 3.29Å; M947-F1042 PolarHBondContact N-O 2.96Å; M947-F1044 PolarHBondContact O-N 3.29Å; M947-H1095 WeakPolarHBondContact CB-NE2 3.18Å; M947-H1095 VanDerWaalsContact CG-CE1 3.44Å; M947-H1095 WeakPolarHBondContact CG-CE1 3.38Å; M947-H1095 WeakPolarHBondContact CG-NE2 3.3Å; M947-H1095 VanDerWaalsContact SD-CE1 3.55Å
948I95.8Very high91.1Very high0 Ų037.6 Ų37.60%019%0.187CC..  trans-106.948.9-174.4-41.2-176.4000110.4V946 F1044 W1047 V1094 H1095 R1102 Y1106V946-I948 HydrophobicContact CG1-CD1 3.99Å; V946-I948 HydrophobicContact CG1-CG1 3.82Å; I948-F1044 HydrophobicContact CG2-CB 4.49Å; I948-F1044 HydrophobicContact CG2-CD1 3.84Å; I948-W1047 HydrophobicContact CG2-CD2 4.45Å; I948-W1047 HydrophobicContact CG2-CE3 3.56Å; I948-W1047 HydrophobicContact CG2-CZ3 4.02Å; I948-V1094 HydrophobicContact CD1-CG1 4.04Å; I948-H1095 PolarHBondContact N-O 2.85Å; I948-R1102 HydrophobicContact CB-CB 4.38Å; I948-R1102 HydrophobicContact CG2-CB 4Å; I948-R1102 WeakPolarHBondContact O-CD 3.5Å; I948-R1102 PolarHBondContact O-NH1 2.89Å; I948-Y1106 HydrophobicContact CD1-CD1 4.34Å; I948-Y1106 HydrophobicContact CD1-CD2 3.52Å; I948-Y1106 HydrophobicContact CD1-CE2 4.46Å; I948-Y1106 HydrophobicContact CD1-CG 3.46Å; I948-Y1106 VanDerWaalsContact CD1-CG 3.46Å
949T92.7Very high91.1Very high5 Ų537 Ų373%0.03119%0.185CC..SBendtrans-163.1152.2179.8-158.90000109.8M947 E953 K958 C959 R1102M947-T949 HydrophobicContact CE-CG2 3.95Å; M947-T949 WeakPolarHBondContact CE-O 3.49Å; M947-T949 HydrophobicContact CG-CG2 4.35Å; T949-E953 WeakPolarHBondContact CA-OE1 3.38Å; T949-E953 WeakPolarHBondContact CB-OE1 3.41Å; T949-E953 PolarHBondContact OG1-OE1 2.98Å; T949-K958 HydrophobicContact CG2-CB 4.27Å; T949-K958 WeakPolarHBondContact OG1-CB 3.18Å; T949-C959 HydrophobicContact CG2-CB 4.28Å; T949-R1102 PolarHBondContact OG1-NH1 2.95Å
950R91.4Very high91.2Very high123 Ų12340 Ų4046%0.46420%0.197SC..  trans-82.3155166.2-57.2175177.3-143.5-2.6109L952 E953 K958 F1045R950-L952 WeakPolarHBondContact CB-O 3.19Å; R950-L952 PolarHBondContact O-N 3.4Å; R950-E953 HydrophobicContact CB-CG 3.81Å; R950-E953 HydrophobicContact CG-CG 4.46Å; R950-E953 PolarHBondContact N-OE1 3.35Å; R950-K958 WeakPolarHBondContact O-CB 3.42Å; R950-F1045 HydrophobicContact CG-CB 4.24Å; R950-F1045 PolarHBondContact NE-O 3.42Å; R950-F1045 VanDerWaalsContact NE-O 3.12Å; R950-F1045 PolarHBondContact NH2-O 2.82Å
951I89.5Confident91.2Very high55 Ų5542.3 Ų42.328%0.28221%0.208SC..SBendtrans-58.3-41177.2-64.3171.4000110.8M947 S957 K958 C959 L961 W963M947-I951 HydrophobicContact CE-CG1 3.95Å; I951-S957 WeakPolarHBondContact O-CA 3.39Å; I951-K958 PolarHBondContact O-N 2.85Å; I951-C959 WeakPolarHBondContact CG2-O 3.4Å; I951-C959 PolarHBondContact O-N 2.83Å; I951-L961 HydrophobicContact CD1-CB 4.1Å; I951-L961 HydrophobicContact CD1-CD1 3.58Å; I951-L961 HydrophobicContact CD1-CG 4.42Å; I951-W963 HydrophobicContact CD1-CH2 3.74Å; I951-W963 HydrophobicContact CD1-CZ2 4.45Å; I951-W963 HydrophobicContact CD1-CZ3 4.22Å; I951-W963 HydrophobicContact CG1-CH2 3.94Å; I951-W963 HydrophobicContact CG1-CZ3 4.37Å
952L87.3Confident91.3Very high104 Ų10440.3 Ų40.355%0.54520%0.199SC..EExtended strand (participates in β ladder)trans-123.7131.1175-75.4161.5000109.9R950 R956R950-L952 WeakPolarHBondContact CB-O 3.19Å; R950-L952 PolarHBondContact O-N 3.4Å; L952-R956 WeakPolarHBondContact CA-O 3.39Å
953E83.5Confident91.3Very high2 Ų241.2 Ų41.21%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-139.5132.2176.9-68.2179.3-166.300107.2T949 R950 Q955 R956 K958 D1049 R1102T949-E953 WeakPolarHBondContact CA-OE1 3.38Å; T949-E953 WeakPolarHBondContact CB-OE1 3.41Å; T949-E953 PolarHBondContact OG1-OE1 2.98Å; R950-E953 HydrophobicContact CB-CG 3.81Å; R950-E953 HydrophobicContact CG-CG 4.46Å; R950-E953 PolarHBondContact N-OE1 3.35Å; E953-Q955 PolarHBondContact O-N 3.25Å; E953-Q955 VanDerWaalsContact O-N 3.08Å; E953-R956 PolarHBondContact N-O 3.04Å; E953-R956 VanDerWaalsContact N-O 3.09Å; E953-R956 WeakPolarHBondContact O-CB 3.35Å; E953-R956 PolarHBondContact O-N 3.39Å; E953-K958 HydrophobicContact CB-CD 4.33Å; E953-K958 HydrophobicContact CB-CG 3.78Å; E953-K958 HydrophobicContact CG-CG 3.84Å; E953-K958 WeakPolarHBondContact OE2-CE 3.47Å; E953-K958 IonicContact OE2-NZ 3.87Å; E953-K958 PolarHBondContact OE2-NZ 3.34Å; E953-K958 VanDerWaalsContact OE2-NZ 3.08Å; E953-D1049 WeakPolarHBondContact CA-OD2 3.27Å; E953-D1049 HydrophobicContact CB-CB 4.4Å; E953-D1049 WeakPolarHBondContact CB-OD1 3.4Å; E953-D1049 WeakPolarHBondContact CG-OD1 3.35Å; E953-R1102 IonicContact OE1-CZ 2.78Å; E953-R1102 IonicContact OE1-NH1 2.69Å; E953-R1102 PolarHBondContact OE1-NH1 2.91Å; E953-R1102 IonicContact OE1-NH2 2.69Å; E953-R1102 PolarHBondContact OE1-NH2 3.17Å; E953-R1102 IonicContact OE2-CZ 3.16Å; E953-R1102 IonicContact OE2-NH1 3.87Å; E953-R1102 PolarHBondContact OE2-NH1 3.09Å; E953-R1102 IonicContact OE2-NH2 3.19Å; E953-R1102 PolarHBondContact OE2-NH2 3.16Å
954A78.6Confident91.1Very high58 Ų5840.8 Ų40.848%0.47920%0.2SC..THydrogen-bonded Turntrans46.238.8-176.100000114.3R956 D1049A954-R956 PolarHBondContact O-N 2.9Å; A954-D1049 PolarHBondContact N-OD2 2.99Å
955Q75.2Confident90.6Very high182 Ų18243.3 Ų43.385%0.8521%0.213SC*.THydrogen-bonded Turntrans60.322.2-174.6-55.6-64.5-22.100115.1E953E953-Q955 PolarHBondContact O-N 3.25Å; E953-Q955 VanDerWaalsContact O-N 3.08Å
956R80.4Confident90.3Very high104 Ų10447 Ų4739%0.39224%0.235SC..EExtended strand (participates in β ladder)trans-112.4135.6172.4-60.1179.6177.5-173.3-1.4109.9L952 E953 A954 K958L952-R956 WeakPolarHBondContact CA-O 3.39Å; E953-R956 PolarHBondContact N-O 3.04Å; E953-R956 VanDerWaalsContact N-O 3.09Å; E953-R956 WeakPolarHBondContact O-CB 3.35Å; E953-R956 PolarHBondContact O-N 3.39Å; A954-R956 PolarHBondContact O-N 2.9Å; R956-K958 PolarHBondContact O-N 3.45Å
957S88.1Confident89.9Confident63 Ų6351.7 Ų51.744%0.44126%0.257SS..EExtended strand (participates in β ladder)trans-68.5120.7168.9165.30000109.6R838 I951 C959R838-S957 PolarHBondContact NH1-O 3.15Å; R838-S957 PolarHBondContact NH1-OG 2.78Å; R838-S957 VanDerWaalsContact NH1-OG 3.09Å; I951-S957 WeakPolarHBondContact O-CA 3.39Å; S957-C959 PolarHBondContact OG-O 3.36Å
958K92Very high89.6Confident14 Ų1456.5 Ų56.56%0.06128%0.283CS..SBendtrans-98.3-28.9170-56.5-83.1-173.9139.10110.9R838 T949 R950 I951 E953 R956 S1097 S1201R838-K958 PolarHBondContact NE-O 3.42Å; R838-K958 PolarHBondContact NH1-O 3.5Å; T949-K958 HydrophobicContact CG2-CB 4.27Å; T949-K958 WeakPolarHBondContact OG1-CB 3.18Å; R950-K958 WeakPolarHBondContact O-CB 3.42Å; I951-K958 PolarHBondContact O-N 2.85Å; E953-K958 HydrophobicContact CB-CD 4.33Å; E953-K958 HydrophobicContact CB-CG 3.78Å; E953-K958 HydrophobicContact CG-CG 3.84Å; E953-K958 WeakPolarHBondContact OE2-CE 3.47Å; E953-K958 IonicContact OE2-NZ 3.87Å; E953-K958 PolarHBondContact OE2-NZ 3.34Å; E953-K958 VanDerWaalsContact OE2-NZ 3.08Å; R956-K958 PolarHBondContact O-N 3.45Å; K958-S1097 VanDerWaalsContact CA-OG 3.3Å; K958-S1097 WeakPolarHBondContact CA-OG 3.48Å; K958-S1097 WeakPolarHBondContact CB-OG 3.35Å; K958-S1097 WeakPolarHBondContact CD-OG 3.5Å; K958-S1097 PolarHBondContact O-OG 2.77Å; K958-S1201 PolarHBondContact NZ-OG 3.26Å
959C93.9Very high89.5Confident1 Ų158.3 Ų58.31%0.00729%0.292CS..  trans-139.2164.8176.7-160.10000110.9M947 T949 I951 S957M947-C959 HydrophobicContact CE-CB 3.8Å; T949-C959 HydrophobicContact CG2-CB 4.28Å; I951-C959 WeakPolarHBondContact CG2-O 3.4Å; I951-C959 PolarHBondContact O-N 2.83Å; S957-C959 PolarHBondContact OG-O 3.36Å
960Y93.4Very high89.6Confident75 Ų7562.4 Ų62.429%0.29431%0.309SS..  trans-95.1157.5160.1-177-100.2000109.5P925 V930 Y962P925-Y960 WeakPolarHBondContact O-CB 3.2Å; P925-Y960 PolarHBondContact O-N 3.43Å; V930-Y960 HydrophobicContact CB-CD1 4.42Å; V930-Y960 HydrophobicContact CG2-CD1 4.3Å; V930-Y960 HydrophobicContact CG2-CE1 4.44Å; Y960-Y962 WeakPolarHBondContact O-CD1 3.45Å; Y960-Y962 PolarHBondContact O-N 3.08Å
961L93.1Very high89.7Confident47 Ų4757.6 Ų57.625%0.24629%0.292CS..  trans-76.687.7173.1-177.865.2000109.2I951 W963 D965I951-L961 HydrophobicContact CD1-CB 4.1Å; I951-L961 HydrophobicContact CD1-CD1 3.58Å; I951-L961 HydrophobicContact CD1-CG 4.42Å; L961-W963 HydrophobicContact CD1-CD2 4.25Å; L961-W963 HydrophobicContact CD1-CE3 4.24Å; L961-W963 HydrophobicContact CD1-CH2 4.28Å; L961-W963 HydrophobicContact CD1-CZ2 4.3Å; L961-W963 HydrophobicContact CD1-CZ3 4.25Å; L961-W963 VanDerWaalsContact CD1-O 3.23Å; L961-W963 WeakPolarHBondContact CD1-O 3.41Å; L961-W963 WeakPolarHBondContact CG-O 3.42Å; L961-D965 HydrophobicContact CD1-CB 4.2Å
962Y95.4Very high89.9Confident0 Ų056.9 Ų56.90%029%0.286CS..  trans-87.4-7.7-177.763.2-99.1000114P925 F933 W934 I945 M947 Y960 F973 H1041 H1095P925-Y962 HydrophobicContact CB-CD1 4.08Å; P925-Y962 HydrophobicContact CB-CG 4.48Å; P925-Y962 HydrophobicContact CG-CD1 3.73Å; P925-Y962 HydrophobicContact CG-CE1 4.05Å; P925-Y962 HydrophobicContact CG-CG 4.23Å; F933-Y962 HydrophobicContact CD1-CD2 4.1Å; F933-Y962 HydrophobicContact CD1-CE2 4.45Å; F933-Y962 HydrophobicContact CD1-CG 4.43Å; F933-Y962 AromaticContact CE1-CD2 3.61Å; F933-Y962 HydrophobicContact CE1-CD2 3.61Å; F933-Y962 AromaticContact CE1-CE2 3.54Å; F933-Y962 HydrophobicContact CE1-CE2 3.54Å; F933-Y962 HydrophobicContact CE1-CG 4.25Å; F933-Y962 HydrophobicContact CZ-CD2 4.42Å; F933-Y962 AromaticContact CZ-CE2 3.98Å; F933-Y962 HydrophobicContact CZ-CE2 3.98Å; W934-Y962 AromaticContact CZ2-CD2 3.74Å; W934-Y962 HydrophobicContact CZ2-CD2 3.74Å; W934-Y962 HydrophobicContact CZ2-CE2 4.26Å; W934-Y962 PolarHBondContact NE1-O 2.86Å; I945-Y962 WeakPolarHBondContact CG2-OH 3.41Å; M947-Y962 HydrophobicContact SD-CE1 3.97Å; Y960-Y962 WeakPolarHBondContact O-CD1 3.45Å; Y960-Y962 PolarHBondContact O-N 3.08Å; Y962-F973 WeakPolarHBondContact O-CE2 3.2Å; Y962-F973 WeakPolarHBondContact O-CZ 3.33Å; Y962-H1041 AromaticContact CE2-CD2 3.98Å; Y962-H1041 AromaticContact CE2-NE2 3.69Å; Y962-H1041 AromaticContact CZ-NE2 3.48Å; Y962-H1041 PolarHBondContact OH-CD2 3.33Å; Y962-H1041 PolarHBondContact OH-NE2 3.16Å; Y962-H1095 AromaticContact CE1-CE1 3.88Å; Y962-H1095 AromaticContact CE1-NE2 3.4Å; Y962-H1095 WeakPolarHBondContact CE1-NE2 3.44Å; Y962-H1095 AromaticContact CZ-NE2 3.49Å; Y962-H1095 PolarHBondContact OH-CD2 2.87Å; Y962-H1095 PolarHBondContact OH-NE2 3.4Å
963W95.8Very high90.2Very high21 Ų2151.9 Ų51.98%0.0826%0.26CS..SBendtrans-130.7153.6-179.176102.9000110.9W934 M947 I951 L961 D965 L971 L1026 H1041W934-W963 HydrophobicContact CZ2-CB 4.25Å; M947-W963 HydrophobicContact CE-CH2 3.62Å; M947-W963 HydrophobicContact CE-CZ3 3.9Å; M947-W963 HydrophobicContact SD-CE3 4.44Å; M947-W963 HydrophobicContact SD-CH2 3.4Å; M947-W963 WeakPolarHBondContact SD-CH2 3.14Å; M947-W963 HydrophobicContact SD-CZ2 4.36Å; M947-W963 HydrophobicContact SD-CZ3 3.45Å; M947-W963 WeakPolarHBondContact SD-CZ3 3.29Å; I951-W963 HydrophobicContact CD1-CH2 3.74Å; I951-W963 HydrophobicContact CD1-CZ2 4.45Å; I951-W963 HydrophobicContact CD1-CZ3 4.22Å; I951-W963 HydrophobicContact CG1-CH2 3.94Å; I951-W963 HydrophobicContact CG1-CZ3 4.37Å; L961-W963 HydrophobicContact CD1-CD2 4.25Å; L961-W963 HydrophobicContact CD1-CE3 4.24Å; L961-W963 HydrophobicContact CD1-CH2 4.28Å; L961-W963 HydrophobicContact CD1-CZ2 4.3Å; L961-W963 HydrophobicContact CD1-CZ3 4.25Å; L961-W963 VanDerWaalsContact CD1-O 3.23Å; L961-W963 WeakPolarHBondContact CD1-O 3.41Å; L961-W963 WeakPolarHBondContact CG-O 3.42Å; W963-D965 PolarHBondContact O-N 3.09Å; W963-L971 VanDerWaalsContact C-CD1 3.45Å; W963-L1026 HydrophobicContact CB-CD1 3.82Å; W963-L1026 HydrophobicContact CB-CD2 4.44Å; W963-L1026 HydrophobicContact CG-CD1 4.41Å; W963-H1041 AromaticContact CD2-CE1 3.69Å; W963-H1041 AromaticContact CD2-NE2 3.95Å; W963-H1041 AromaticContact CE2-CE1 3.51Å; W963-H1041 AromaticContact CZ2-CE1 3.79Å; W963-H1041 AromaticContact NE1-CE1 3.81Å; W963-H1041 AromaticContact NE1-ND1 3.96Å
964P93.9Very high90.5Very high0 Ų052.2 Ų52.20%026%0.263CS..  trans-63.9117.8170.418.2-26.1000111.9Q969 L971 I1010 N1012 L1026P964-Q969 HydrophobicContact CB-CB 3.74Å; P964-Q969 HydrophobicContact CB-CG 3.87Å; P964-Q969 WeakPolarHBondContact CB-O 3.49Å; P964-L971 HydrophobicContact CB-CD1 4.47Å; P964-L971 HydrophobicContact CB-CG 4.21Å; P964-L971 HydrophobicContact CG-CG 4.49Å; P964-I1010 HydrophobicContact CG-CG2 4.32Å; P964-N1012 HydrophobicContact CB-CB 3.96Å; P964-N1012 HydrophobicContact CG-CB 3.86Å; P964-N1012 PolarHBondContact O-ND2 3.36Å; P964-L1026 HydrophobicContact CG-CD2 4.37Å
965D88.5Confident90.6Very high53 Ų5350.2 Ų50.228%0.28325%0.245SC..SBendtrans-79.7-15.7179.962.9-38.7000113.6L961 W963 Q969 T1441L961-D965 HydrophobicContact CD1-CB 4.2Å; W963-D965 PolarHBondContact O-N 3.09Å; D965-Q969 PolarHBondContact OD1-OE1 2.98Å; D965-T1441 WeakPolarHBondContact OD2-CB 3.46Å; D965-T1441 WeakPolarHBondContact OD2-CG2 3.44Å; D965-T1441 PolarHBondContact OD2-OG1 3.13Å
966V90.7Very high90.6Very high76 Ų7647 Ų4746%0.46124%0.243SC..SBendtrans-108.3135.9178.2-174.50000110.9Q969 N1012V966-Q969 HydrophobicContact CB-CB 4.17Å; V966-Q969 WeakPolarHBondContact O-CB 3.48Å; V966-Q969 PolarHBondContact O-N 2.86Å; V966-Q969 VanDerWaalsContact O-N 3.1Å; V966-N1012 VanDerWaalsContact O-CB 3.31Å; V966-N1012 WeakPolarHBondContact O-CB 3.49Å
967E91.6Very high90.6Very high99 Ų9944.6 Ų44.646%0.46324%0.236SC..THydrogen-bonded Turntrans-56140175.7-157.8-163.7101.300111.9Q969E967-Q969 PolarHBondContact O-N 2.58Å
968N91.9Very high90.4Very high104 Ų10445.2 Ų45.256%0.55624%0.237SC*.THydrogen-bonded Turntrans66.6-2-173.9-51.4-93.8000115.5N1012N968-N1012 WeakPolarHBondContact CA-O 3.41Å; N968-N1012 PolarHBondContact N-O 3.27Å
969Q92.5Very high90Very high39 Ų3944.9 Ų44.918%0.18224%0.237CC..  trans-70.6149.5171.4-173.9-170.19.300110.9P964 D965 V966 E967 E1011 N1012P964-Q969 HydrophobicContact CB-CB 3.74Å; P964-Q969 HydrophobicContact CB-CG 3.87Å; P964-Q969 WeakPolarHBondContact CB-O 3.49Å; D965-Q969 PolarHBondContact OD1-OE1 2.98Å; V966-Q969 HydrophobicContact CB-CB 4.17Å; V966-Q969 WeakPolarHBondContact O-CB 3.48Å; V966-Q969 PolarHBondContact O-N 2.86Å; V966-Q969 VanDerWaalsContact O-N 3.1Å; E967-Q969 PolarHBondContact O-N 2.58Å; Q969-E1011 WeakPolarHBondContact O-CA 3.3Å; Q969-N1012 PolarHBondContact O-N 3.42Å; Q969-N1012 VanDerWaalsContact O-N 3.13Å
970K94.4Very high89.5Confident90 Ų9047.1 Ų47.139%0.39125%0.253SS..EExtended strand (participates in β ladder)trans-128.5135.5-177.5-61.4-175.4-169.8-123.50110.7L1009 I1010 E1011K970-L1009 HydrophobicContact CB-CD1 3.78Å; K970-L1009 HydrophobicContact CD-CD1 4.13Å; K970-L1009 HydrophobicContact CG-CD1 4.16Å; K970-I1010 CarbonylContact C-O 3.48Å; K970-I1010 VanDerWaalsContact CA-O 3.3Å; K970-I1010 WeakPolarHBondContact CA-O 3.34Å; K970-E1011 VanDerWaalsContact CE-CD 3.45Å; K970-E1011 VanDerWaalsContact CE-OE1 3.23Å; K970-E1011 WeakPolarHBondContact CE-OE1 3.46Å; K970-E1011 HydrophobicContact CG-CB 4.11Å; K970-E1011 HydrophobicContact CG-CG 4.03Å; K970-E1011 IonicContact NZ-OE1 3.45Å; K970-E1011 PolarHBondContact NZ-OE1 3.3Å; K970-E1011 IonicContact NZ-OE2 3.31Å; K970-E1011 PolarHBondContact NZ-OE2 3.07Å
971L94Very high89.1Confident22 Ų2244.8 Ų44.812%0.11525%0.245CC..EExtended strand (participates in β ladder)trans-124.3149.7173.4-59.3-177.6000109.8W963 P964 F973 I1010W963-L971 VanDerWaalsContact C-CD1 3.45Å; P964-L971 HydrophobicContact CB-CD1 4.47Å; P964-L971 HydrophobicContact CB-CG 4.21Å; P964-L971 HydrophobicContact CG-CG 4.49Å; L971-F973 HydrophobicContact CB-CE2 3.73Å; L971-F973 HydrophobicContact CB-CZ 3.81Å; L971-F973 HydrophobicContact CD1-CE2 4.3Å; L971-F973 HydrophobicContact CD1-CZ 3.87Å; L971-F973 HydrophobicContact CG-CZ 4.49Å; L971-I1010 PolarHBondContact N-O 3.28Å; L971-I1010 PolarHBondContact O-N 2.94Å
972Y94.6Very high88.5Confident40 Ų4049.7 Ų49.716%0.15726%0.262CS..EExtended strand (participates in β ladder)trans-120.9137.8-178.9-64.5-96000110C980 L981 A983 P1006 F1008 L1009 L1031Y972-C980 PolarHBondContact N-SG 2.87Å; Y972-C980 VanDerWaalsContact N-SG 3.36Å; Y972-C980 CarbonylContact O-C 3.55Å; Y972-C980 WeakPolarHBondContact O-CA 3.22Å; Y972-C980 PolarHBondContact O-SG 3.48Å; Y972-C980 VanDerWaalsContact O-SG 3.39Å; Y972-L981 PolarHBondContact O-N 3.36Å; Y972-A983 HydrophobicContact CD2-CB 4.22Å; Y972-A983 HydrophobicContact CE2-CB 3.5Å; Y972-A983 VanDerWaalsContact CE2-CB 3.5Å; Y972-P1006 HydrophobicContact CD1-CB 4.2Å; Y972-P1006 HydrophobicContact CD1-CG 3.95Å; Y972-P1006 HydrophobicContact CG-CG 4.48Å; Y972-F1008 CarbonylContact C-O 3.52Å; Y972-F1008 WeakPolarHBondContact CA-O 3.43Å; Y972-L1009 HydrophobicContact CD1-CB 4.13Å; Y972-L1009 HydrophobicContact CD1-CD1 4.35Å; Y972-L1009 HydrophobicContact CE1-CB 4.02Å; Y972-L1009 HydrophobicContact CE1-CD1 3.9Å; Y972-L1009 HydrophobicContact CE1-CD2 4.39Å; Y972-L1009 HydrophobicContact CE1-CG 4.32Å; Y972-L1009 HydrophobicContact CE2-CD1 4.25Å; Y972-L1031 HydrophobicContact CD1-CD1 4.01Å; Y972-L1031 HydrophobicContact CE1-CD1 4.37Å
973F92.5Very high87.6Confident0 Ų052.4 Ų52.40%028%0.284CS..EExtended strand (participates in β ladder)trans-139.4159.4-179.1-58.3-67.7000111.8V930 W934 Y962 L971 C980 D1007 F1008 I1010V930-F973 HydrophobicContact CB-CD1 4.23Å; V930-F973 HydrophobicContact CB-CE1 4.29Å; V930-F973 HydrophobicContact CG1-CD1 3.52Å; V930-F973 HydrophobicContact CG1-CE1 3.81Å; V930-F973 HydrophobicContact CG1-CG 4.38Å; V930-F973 HydrophobicContact CG2-CD1 3.67Å; V930-F973 HydrophobicContact CG2-CD2 4.41Å; V930-F973 HydrophobicContact CG2-CE1 3.45Å; V930-F973 VanDerWaalsContact CG2-CE1 3.45Å; V930-F973 HydrophobicContact CG2-CE2 4.24Å; V930-F973 HydrophobicContact CG2-CG 4.14Å; V930-F973 HydrophobicContact CG2-CZ 3.76Å; W934-F973 AromaticContact CD1-CD2 3.35Å; W934-F973 AromaticContact CD1-CE2 3.77Å; W934-F973 HydrophobicContact CG-CD2 4.34Å; W934-F973 AromaticContact NE1-CD2 3.59Å; W934-F973 AromaticContact NE1-CE2 3.49Å; Y962-F973 WeakPolarHBondContact O-CE2 3.2Å; Y962-F973 WeakPolarHBondContact O-CZ 3.33Å; L971-F973 HydrophobicContact CB-CE2 3.73Å; L971-F973 HydrophobicContact CB-CZ 3.81Å; L971-F973 HydrophobicContact CD1-CE2 4.3Å; L971-F973 HydrophobicContact CD1-CZ 3.87Å; L971-F973 HydrophobicContact CG-CZ 4.49Å; F973-C980 HydrophobicContact CD1-CB 4.46Å; F973-C980 HydrophobicContact CE1-CB 3.82Å; F973-C980 HydrophobicContact CZ-CB 4.44Å; F973-D1007 PolarHBondContact O-N 3.33Å; F973-F1008 PolarHBondContact N-O 3.22Å; F973-F1008 PolarHBondContact O-N 3.14Å; F973-I1010 HydrophobicContact CD2-CD1 4.44Å; F973-I1010 HydrophobicContact CD2-CG1 3.61Å; F973-I1010 HydrophobicContact CE2-CG1 3.72Å
974S90.2Very high86.3Confident9 Ų955.3 Ų55.36%0.06331%0.305CS..  trans-145.1142.8173.4173.10000110.1G931 H977 D1007G931-S974 WeakPolarHBondContact CA-O 3.32Å; S974-H977 WeakPolarHBondContact O-CB 3.26Å; S974-H977 PolarHBondContact O-N 3.49Å; S974-D1007 WeakPolarHBondContact CA-OD2 3.33Å; S974-D1007 WeakPolarHBondContact CB-OD2 3.25Å; S974-D1007 PolarHBondContact OG-OD2 3.36Å
975S80.2Confident84.6Confident16 Ų1659.5 Ų59.511%0.11233%0.331CS..THydrogen-bonded Turntrans-64.9137.7176.3-64.90000110.2Q935 H977 D1007Q935-S975 WeakPolarHBondContact CB-OG 3.27Å; Q935-S975 PolarHBondContact OE1-OG 3.12Å; S975-H977 VanDerWaalsContact C-N 3.26Å; S975-H977 PolarHBondContact O-N 2.91Å; S975-D1007 PolarHBondContact N-OD2 3.3Å
976S75.1Confident82.9Confident114 Ų11462.9 Ų62.980%0.79736%0.359SS*.THydrogen-bonded Turntrans70.51.7-166.5-24.60000116.5D932D932-S976 PolarHBondContact OD1-N 3.11Å
977H82.1Confident81Confident53 Ų5362.8 Ų62.825%0.24536%0.362CS..  trans-97.2140.3171.6-168.9-91.1000112.4S974 S975 G979 L981 V1004S974-H977 WeakPolarHBondContact O-CB 3.26Å; S974-H977 PolarHBondContact O-N 3.49Å; S975-H977 VanDerWaalsContact C-N 3.26Å; S975-H977 PolarHBondContact O-N 2.91Å; H977-G979 PolarHBondContact ND1-O 3.24Å; H977-L981 HydrophobicContact CB-CD1 4.45Å; H977-L981 VanDerWaalsContact CE1-CD2 3.48Å; H977-L981 WeakPolarHBondContact CE1-CD2 3.11Å; H977-V1004 HydrophobicContact CB-CG1 4.5Å
978T82.7Confident79Confident77 Ų7763.4 Ų63.447%0.47237%0.368SS..  trans-89.4114.8178.6-59.70000111.1S927 E928S927-T978 CarbonylContact O-C 3.5Å; S927-T978 WeakPolarHBondContact O-CA 3.47Å; E928-T978 HydrophobicContact CG-CG2 4.18Å
979G84Confident76.8Confident6 Ų669.4 Ų69.46%0.06238%0.383CS..SBendtrans74.8-173.217800000114.5S927 H977S927-G979 PolarHBondContact O-N 2.95Å; H977-G979 PolarHBondContact ND1-O 3.24Å
980C83.9Confident74.3Confident49 Ų4971.8 Ų71.833%0.33140%0.404SS..PPolyproline II helixtrans-69.7138.5-178.9-169.50000112.2Y972 F973Y972-C980 PolarHBondContact N-SG 2.87Å; Y972-C980 VanDerWaalsContact N-SG 3.36Å; Y972-C980 CarbonylContact O-C 3.55Å; Y972-C980 WeakPolarHBondContact O-CA 3.22Å; Y972-C980 PolarHBondContact O-SG 3.48Å; Y972-C980 VanDerWaalsContact O-SG 3.39Å; F973-C980 HydrophobicContact CD1-CB 4.46Å; F973-C980 HydrophobicContact CE1-CB 3.82Å; F973-C980 HydrophobicContact CZ-CB 4.44Å
981L85.2Confident71.6Confident25 Ų2573.7 Ų73.713%0.13142%0.418CS..BIsolated β-bridgetrans-89.2163171-75.7165.8000111.7Y972 H977 V1004 P1006Y972-L981 PolarHBondContact O-N 3.36Å; H977-L981 HydrophobicContact CB-CD1 4.45Å; H977-L981 VanDerWaalsContact CE1-CD2 3.48Å; H977-L981 WeakPolarHBondContact CE1-CD2 3.11Å; L981-V1004 HydrophobicContact CD1-CG1 4.14Å; L981-V1004 HydrophobicContact CD2-CB 4.29Å; L981-P1006 HydrophobicContact CB-CB 4.38Å; L981-P1006 HydrophobicContact CD1-CB 3.77Å
982Y79.1Confident68.9Low151 Ų15181.2 Ų81.259%0.59246%0.459SS*.PPolyproline II helixtrans-74.4156.2168.9-67.8-86.4000111.3I1435 V1436Y982-I1435 HydrophobicContact CE1-CG2 4.28Å; Y982-V1436 HydrophobicContact CD1-CB 4.03Å; Y982-V1436 HydrophobicContact CD1-CG2 4.48Å; Y982-V1436 HydrophobicContact CE1-CB 3.94Å; Y982-V1436 VanDerWaalsContact CE1-O 3.3Å; Y982-V1436 WeakPolarHBondContact CE1-O 3.5Å
983A77.6Confident66.1Low56 Ų5683.6 Ų83.646%0.46348%0.481SS..PPolyproline II helixtrans-63.8137.4171.500000110.7Y972 T985Y972-A983 HydrophobicContact CD2-CB 4.22Å; Y972-A983 HydrophobicContact CE2-CB 3.5Å; Y972-A983 VanDerWaalsContact CE2-CB 3.5Å; A983-T985 PolarHBondContact O-N 3.01Å
984P68.6Low63.3Low82 Ų8292.9 Ų92.953%0.53252%0.522SS..PPolyproline II helixtrans-57.4127.4176.9-26.335.1000112.5P1006P984-P1006 HydrophobicContact CG-CG 3.77Å
985T56.9Low60.5Low89 Ų8997.4 Ų97.455%0.54655%0.554SS.*PPolyproline II helixtrans-70134.1178.325.70000111.7A983 S987 D988A983-T985 PolarHBondContact O-N 3.01Å; T985-S987 PolarHBondContact O-N 3.29Å; T985-S987 VanDerWaalsContact O-N 3.09Å; T985-D988 WeakPolarHBondContact CB-OD2 3.12Å; T985-D988 PolarHBondContact O-N 2.99Å; T985-D988 VanDerWaalsContact O-OD2 3.14Å; T985-D988 PolarHBondContact OG1-OD2 3.34Å
986S53.8Low58.4Low124 Ų124106.3 Ų106.387%0.86759%0.59SS**G310 helixtrans-68.3-9.2-175.548.20000114.4
987S50Low56.4Low74 Ų74109.7 Ų109.752%0.51759%0.591SS.*G310 helixtrans-71.3-27.4176.244.10000114.5T985 R989 S990T985-S987 PolarHBondContact O-N 3.29Å; T985-S987 VanDerWaalsContact O-N 3.09Å; S987-R989 PolarHBondContact O-N 3.43Å; S987-S990 PolarHBondContact O-OG 3.38Å
988D49.2Very low53.9Low111 Ų111112.2 Ų112.259%0.59462%0.615SS**G310 helixtrans-765.3-164.2-58.8-48.1000114.7T985T985-D988 WeakPolarHBondContact CB-OD2 3.12Å; T985-D988 PolarHBondContact O-N 2.99Å; T985-D988 VanDerWaalsContact O-OD2 3.14Å; T985-D988 PolarHBondContact OG1-OD2 3.34Å
989R45.6Very low51.5Low230 Ų230114.2 Ų114.287%0.86863%0.632SS**G310 helixtrans-966.6-177.5-74.4-173.5167.1-167.6-5.5115.6S987S987-R989 PolarHBondContact O-N 3.43Å
990S40.5Very low49Very low90 Ų90118.8 Ų118.863%0.62966%0.663SS**SBendtrans-120-15.1-164.962.10000118.5S987S987-S990 PolarHBondContact O-OG 3.38Å
991N37.1Very low46.7Very low129 Ų129123.6 Ų123.669%0.6969%0.685SS**  trans-114.496.2-169.5-77-27.4000114.9S993N991-S993 VanDerWaalsContact C-N 3.27Å; N991-S993 PolarHBondContact O-N 3.4Å
992N37.7Very low44.8Very low181 Ų181129.7 Ų129.797%0.96872%0.718SS**  trans-73.870.6169.2-100.9-20000111.8
993S36.3Very low43.8Very low90 Ų90129.9 Ų129.963%0.62973%0.729SS**  trans-152.531.3178.169.60000115.3N991 S995N991-S993 VanDerWaalsContact C-N 3.27Å; N991-S993 PolarHBondContact O-N 3.4Å; S993-S995 PolarHBondContact O-N 2.94Å; S993-S995 VanDerWaalsContact O-N 3.14Å
994F32.8Very low43.5Very low195 Ų195130 Ų13086%0.85572%0.724SS**  trans-86.380.2-179.2-111.8-90.7000113.4
995S32.3Very low44Very low104 Ų104131 Ų13173%0.72773%0.729SS**SBendtrans-143.4139.6159.273.50000109.5S993S993-S995 PolarHBondContact O-N 2.94Å; S993-S995 VanDerWaalsContact O-N 3.14Å
996K35.8Very low45.5Very low202 Ų202127.3 Ų127.388%0.87871%0.706SS**SBendtrans60.967.3-169.7-61.5-177.1173.6-177.70115.8
997F33.4Very low47.2Very low185 Ų185122.1 Ų122.181%0.81167%0.669SS**  trans-150.388.1142.1-120.1-77.2000109.8
998S30.2Very low49.3Very low106 Ų106118.7 Ų118.774%0.74165%0.645SS**  trans-98.8157.4169.4-58.90000109.6
999S31.8Very low51.5Low119 Ų119114.3 Ų114.383%0.83262%0.621SS**SBendtrans76.554.7166.8-47.70000117.8
1000S31.6Very low54Low103 Ų103103.4 Ų103.472%0.7258%0.58SS**SBendtrans-177.9149.1131.733.90000112.8
1001N36.2Very low56.7Low150 Ų15099.9 Ų99.980%0.80255%0.554SS**  trans65.7134.4178.6-61.6-11.2000117.2N1003N1001-N1003 PolarHBondContact O-N 3.21Å
1002N43.9Very low59.5Low153 Ų15393.8 Ų93.882%0.81852%0.521SS*.  trans-95.893.4-168.2-67.2-12.7000112.5V1004N1002-V1004 VanDerWaalsContact C-N 3.32Å; N1002-V1004 HydrophobicContact CB-CG2 4.39Å; N1002-V1004 PolarHBondContact O-N 2.78Å; N1002-V1004 VanDerWaalsContact O-N 3.07Å
1003N58.6Low62.3Low155 Ų15588 Ų8883%0.82949%0.493SS*.  trans-80.278.9166.4-77.712.1000110.6N1001N1001-N1003 PolarHBondContact O-N 3.21Å
1004V70.4Confident65.1Low57 Ų5788 Ų8835%0.34548%0.481SS..PPolyproline II helixtrans-78.1120.4171.8-179.80000109.5H977 L981 N1002H977-V1004 HydrophobicContact CB-CG1 4.5Å; L981-V1004 HydrophobicContact CD1-CG1 4.14Å; L981-V1004 HydrophobicContact CD2-CB 4.29Å; N1002-V1004 VanDerWaalsContact C-N 3.32Å; N1002-V1004 HydrophobicContact CB-CG2 4.39Å; N1002-V1004 PolarHBondContact O-N 2.78Å; N1002-V1004 VanDerWaalsContact O-N 3.07Å
1005T80.4Confident68Low103 Ų10381.2 Ų81.263%0.63246%0.457SS*.PPolyproline II helixtrans-76128.8172.651.10000110.2
1006P88.1Confident71Confident12 Ų1281 Ų818%0.07845%0.445CS..PPolyproline II helixtrans-66.8142.6176.525.9-32.7000112.4Y972 L981 P984 L1031Y972-P1006 HydrophobicContact CD1-CB 4.2Å; Y972-P1006 HydrophobicContact CD1-CG 3.95Å; Y972-P1006 HydrophobicContact CG-CG 4.48Å; L981-P1006 HydrophobicContact CB-CB 4.38Å; L981-P1006 HydrophobicContact CD1-CB 3.77Å; P984-P1006 HydrophobicContact CG-CG 3.77Å; P1006-L1031 HydrophobicContact CB-CD1 3.88Å; P1006-L1031 HydrophobicContact CG-CD1 3.81Å; P1006-L1031 WeakPolarHBondContact O-CD1 3.46Å
1007D89.2Confident73.6Confident16 Ų1675 Ų759%0.08643%0.428CS..SBendtrans-88.4-36.8176-58.8-51000111.7F973 S974 S975 H1030 L1031 Q1032F973-D1007 PolarHBondContact O-N 3.33Å; S974-D1007 WeakPolarHBondContact CA-OD2 3.33Å; S974-D1007 WeakPolarHBondContact CB-OD2 3.25Å; S974-D1007 PolarHBondContact OG-OD2 3.36Å; S975-D1007 PolarHBondContact N-OD2 3.3Å; D1007-H1030 CarbonylContact O-C 3.59Å; D1007-H1030 WeakPolarHBondContact O-CA 3.44Å; D1007-H1030 PolarHBondContact O-ND1 2.78Å; D1007-L1031 PolarHBondContact O-N 3.26Å; D1007-Q1032 PolarHBondContact O-OE1 3.1Å; D1007-Q1032 PolarHBondContact OD1-NE2 3.31Å
1008F94.1Very high76.2Confident1 Ų169.8 Ų69.80%0.00441%0.409CS..EExtended strand (participates in β ladder)trans-126.5136.8-173.4-58.8-71.1000111.6W934 Q935 W938 Y972 F973 I1010 T1029 H1030W934-F1008 HydrophobicContact CB-CD2 4.17Å; W934-F1008 HydrophobicContact CB-CG 4.39Å; Q935-F1008 HydrophobicContact CB-CE2 3.84Å; Q935-F1008 HydrophobicContact CB-CZ 4.14Å; Q935-F1008 HydrophobicContact CG-CE2 4.06Å; Q935-F1008 HydrophobicContact CG-CZ 4Å; W938-F1008 HydrophobicContact CB-CE1 3.69Å; W938-F1008 HydrophobicContact CB-CZ 3.97Å; W938-F1008 AromaticContact CD2-CE1 3.92Å; W938-F1008 HydrophobicContact CD2-CE1 3.92Å; W938-F1008 HydrophobicContact CE3-CD1 4.45Å; W938-F1008 HydrophobicContact CE3-CE1 4.15Å; W938-F1008 AromaticContact CG-CE1 3.68Å; W938-F1008 HydrophobicContact CG-CE1 3.68Å; W938-F1008 HydrophobicContact CG-CZ 4.21Å; Y972-F1008 CarbonylContact C-O 3.52Å; Y972-F1008 WeakPolarHBondContact CA-O 3.43Å; F973-F1008 PolarHBondContact N-O 3.22Å; F973-F1008 PolarHBondContact O-N 3.14Å; F1008-I1010 HydrophobicContact CB-CD1 4.17Å; F1008-T1029 WeakPolarHBondContact CA-O 3.05Å; F1008-H1030 HydrophobicContact CD1-CB 4.3Å; F1008-H1030 HydrophobicContact CE1-CB 4.14Å; F1008-H1030 AromaticContact CE1-CG 3.92Å
1009L95.7Very high78.7Confident20 Ų2067.1 Ų67.111%0.10540%0.398CS..EExtended strand (participates in β ladder)trans-109.4125.9164.7157.164.1000108.3K970 Y972 I1028 T1029 L1031K970-L1009 HydrophobicContact CB-CD1 3.78Å; K970-L1009 HydrophobicContact CD-CD1 4.13Å; K970-L1009 HydrophobicContact CG-CD1 4.16Å; Y972-L1009 HydrophobicContact CD1-CB 4.13Å; Y972-L1009 HydrophobicContact CD1-CD1 4.35Å; Y972-L1009 HydrophobicContact CE1-CB 4.02Å; Y972-L1009 HydrophobicContact CE1-CD1 3.9Å; Y972-L1009 HydrophobicContact CE1-CD2 4.39Å; Y972-L1009 HydrophobicContact CE1-CG 4.32Å; Y972-L1009 HydrophobicContact CE2-CD1 4.25Å; L1009-I1028 WeakPolarHBondContact O-CA 3.5Å; L1009-T1029 PolarHBondContact N-O 3.41Å; L1009-T1029 PolarHBondContact O-N 2.87Å; L1009-L1031 HydrophobicContact CB-CD1 4.15Å; L1009-L1031 HydrophobicContact CB-CD2 3.89Å; L1009-L1031 HydrophobicContact CB-CG 4.2Å; L1009-L1031 HydrophobicContact CD2-CD2 4.49Å
1010I97.1Very high81.6Confident0 Ų063.3 Ų63.30%037%0.368CS..EExtended strand (participates in β ladder)trans-111.7130.8176.5-39.1-59.8000108.5W934 P964 K970 L971 F973 F1008 R1027 I1028W934-I1010 HydrophobicContact CB-CD1 4.42Å; W934-I1010 HydrophobicContact CD2-CD1 3.42Å; W934-I1010 VanDerWaalsContact CD2-CD1 3.42Å; W934-I1010 HydrophobicContact CD2-CG1 4.05Å; W934-I1010 HydrophobicContact CE3-CD1 3.74Å; W934-I1010 HydrophobicContact CG-CD1 3.73Å; W934-I1010 HydrophobicContact CG-CG1 4.29Å; W934-I1010 HydrophobicContact CH2-CD1 4.41Å; W934-I1010 HydrophobicContact CH2-CG2 3.94Å; W934-I1010 HydrophobicContact CZ2-CD1 4.12Å; W934-I1010 HydrophobicContact CZ2-CG1 4.1Å; W934-I1010 HydrophobicContact CZ2-CG2 3.67Å; W934-I1010 HydrophobicContact CZ3-CD1 4.23Å; P964-I1010 HydrophobicContact CG-CG2 4.32Å; K970-I1010 CarbonylContact C-O 3.48Å; K970-I1010 VanDerWaalsContact CA-O 3.3Å; K970-I1010 WeakPolarHBondContact CA-O 3.34Å; L971-I1010 PolarHBondContact N-O 3.28Å; L971-I1010 PolarHBondContact O-N 2.94Å; F973-I1010 HydrophobicContact CD2-CD1 4.44Å; F973-I1010 HydrophobicContact CD2-CG1 3.61Å; F973-I1010 HydrophobicContact CE2-CG1 3.72Å; F1008-I1010 HydrophobicContact CB-CD1 4.17Å; I1010-R1027 WeakPolarHBondContact CA-O 3.27Å; I1010-I1028 HydrophobicContact CD1-CB 4.37Å; I1010-I1028 HydrophobicContact CD1-CG2 3.69Å; I1010-I1028 HydrophobicContact CG2-CG2 4.44Å
1011E97.1Very high84.6Confident16 Ų1658.8 Ų58.88%0.07534%0.335CS..EExtended strand (participates in β ladder)trans-133.1131.1-177.6174.2175.2-167.500110.8Q969 K970 V1013 L1026 R1027Q969-E1011 WeakPolarHBondContact O-CA 3.3Å; K970-E1011 VanDerWaalsContact CE-CD 3.45Å; K970-E1011 VanDerWaalsContact CE-OE1 3.23Å; K970-E1011 WeakPolarHBondContact CE-OE1 3.46Å; K970-E1011 HydrophobicContact CG-CB 4.11Å; K970-E1011 HydrophobicContact CG-CG 4.03Å; K970-E1011 IonicContact NZ-OE1 3.45Å; K970-E1011 PolarHBondContact NZ-OE1 3.3Å; K970-E1011 IonicContact NZ-OE2 3.31Å; K970-E1011 PolarHBondContact NZ-OE2 3.07Å; E1011-V1013 PolarHBondContact O-N 3.48Å; E1011-L1026 CarbonylContact O-C 3.5Å; E1011-L1026 WeakPolarHBondContact O-CA 3.43Å; E1011-R1027 HydrophobicContact CB-CB 4.29Å; E1011-R1027 PolarHBondContact N-O 2.7Å; E1011-R1027 PolarHBondContact O-N 3.07Å; E1011-R1027 IonicContact OE1-CZ 3.25Å; E1011-R1027 IonicContact OE1-NH2 2.7Å; E1011-R1027 PolarHBondContact OE1-NH2 2.92Å; E1011-R1027 IonicContact OE2-CZ 2.86Å; E1011-R1027 VanDerWaalsContact OE2-CZ 3.26Å; E1011-R1027 IonicContact OE2-NE 2.7Å; E1011-R1027 PolarHBondContact OE2-NE 3.42Å; E1011-R1027 IonicContact OE2-NH2 2.79Å; E1011-R1027 PolarHBondContact OE2-NH2 3.12Å
1012N97.1Very high87.4Confident1 Ų152.3 Ų52.31%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-80.1114.4172.7-173.3-34.7000108.7P964 V966 N968 Q969 K1014 T1024 L1026P964-N1012 HydrophobicContact CB-CB 3.96Å; P964-N1012 HydrophobicContact CG-CB 3.86Å; P964-N1012 PolarHBondContact O-ND2 3.36Å; V966-N1012 VanDerWaalsContact O-CB 3.31Å; V966-N1012 WeakPolarHBondContact O-CB 3.49Å; N968-N1012 WeakPolarHBondContact CA-O 3.41Å; N968-N1012 PolarHBondContact N-O 3.27Å; Q969-N1012 PolarHBondContact O-N 3.42Å; Q969-N1012 VanDerWaalsContact O-N 3.13Å; N1012-K1014 PolarHBondContact OD1-N 3.48Å; N1012-K1014 PolarHBondContact OD1-O 2.96Å; N1012-T1024 VanDerWaalsContact ND2-CG2 3.32Å; N1012-T1024 WeakPolarHBondContact ND2-CG2 3.47Å; N1012-L1026 HydrophobicContact CB-CD2 4.27Å
1013V96.8Very high89.9Confident61 Ų6147.3 Ų47.337%0.3728%0.275SS..EExtended strand (participates in β ladder)trans-92.3-32.6-177.2-176.50000111.5E1011 T1025 R1027E1011-V1013 PolarHBondContact O-N 3.48Å; V1013-T1025 HydrophobicContact CB-CG2 4.07Å; V1013-T1025 WeakPolarHBondContact CB-O 3.29Å; V1013-T1025 PolarHBondContact N-O 3.32Å; V1013-R1027 HydrophobicContact CG2-CB 3.54Å
1014K95.4Very high91.8Very high88 Ų8840.1 Ų40.138%0.38324%0.236SC..EExtended strand (participates in β ladder)trans-162.8141.5-173.7-168.8-165.2-174.2-155.80108.9N1012 E1016 T1024 T1025N1012-K1014 PolarHBondContact OD1-N 3.48Å; N1012-K1014 PolarHBondContact OD1-O 2.96Å; K1014-E1016 WeakPolarHBondContact CE-OE1 3.42Å; K1014-E1016 WeakPolarHBondContact CE-OE2 3.32Å; K1014-E1016 IonicContact NZ-OE1 2.7Å; K1014-E1016 PolarHBondContact NZ-OE1 3.47Å; K1014-E1016 IonicContact NZ-OE2 3.32Å; K1014-E1016 PolarHBondContact NZ-OE2 2.83Å; K1014-T1024 CarbonylContact O-C 3.18Å; K1014-T1024 VanDerWaalsContact O-CA 3.31Å; K1014-T1024 WeakPolarHBondContact O-CA 3.42Å; K1014-T1024 WeakPolarHBondContact O-CG2 3.4Å; K1014-T1025 PolarHBondContact O-N 3.11Å
1015C93.6Very high93.1Very high53 Ų5338.7 Ų38.736%0.35823%0.228SC..EExtended strand (participates in β ladder)trans-134.3129.8169.6-167.20000111.6Q1023 T1024C1015-Q1023 WeakPolarHBondContact CA-O 3.3Å; C1015-T1024 HydrophobicContact CB-CG2 4.35Å; C1015-T1024 PolarHBondContact SG-OG1 3.29Å
1016E93.4Very high93.9Very high101 Ų10133.8 Ų33.847%0.47220%0.198SC..EExtended strand (participates in β ladder)trans-127155.2175.8-76.1172.1154.500110.3K1014 A1022 Q1023K1014-E1016 WeakPolarHBondContact CE-OE1 3.42Å; K1014-E1016 WeakPolarHBondContact CE-OE2 3.32Å; K1014-E1016 IonicContact NZ-OE1 2.7Å; K1014-E1016 PolarHBondContact NZ-OE1 3.47Å; K1014-E1016 IonicContact NZ-OE2 3.32Å; K1014-E1016 PolarHBondContact NZ-OE2 2.83Å; E1016-A1022 CarbonylContact O-C 3.43Å; E1016-A1022 WeakPolarHBondContact O-CA 2.99Å; E1016-A1022 WeakPolarHBondContact O-CB 3.41Å; E1016-Q1023 PolarHBondContact N-O 3.12Å; E1016-Q1023 PolarHBondContact O-N 3.35Å
1017S91.4Very high94.4Very high75 Ų7537.7 Ų37.752%0.52421%0.211SC..EExtended strand (participates in β ladder)trans-154134.9-177.5-175.50000111.7F1021S1017-F1021 WeakPolarHBondContact CA-O 3.49Å; S1017-F1021 WeakPolarHBondContact CB-O 3.49Å; S1017-F1021 PolarHBondContact OG-O 3.32Å
1018N87.1Confident94.8Very high76 Ų7637.1 Ų37.141%0.40621%0.208SC..  trans-99.4-2.4178.860.73.1000113.7N1020 F1021 D1061N1018-N1020 PolarHBondContact OD1-N 3.02Å; N1018-F1021 PolarHBondContact N-O 3.11Å; N1018-F1021 WeakPolarHBondContact ND2-CE1 3.25Å; N1018-F1021 WeakPolarHBondContact ND2-CZ 3.41Å; N1018-F1021 PolarHBondContact OD1-N 3.46Å; N1018-F1021 PolarHBondContact OD1-O 3.1Å; N1018-F1021 VanDerWaalsContact OD1-O 3.1Å; N1018-D1061 PolarHBondContact ND2-OD2 3.1Å
1019G84.5Confident94.8Very high49 Ų4938 Ų3851%0.50521%0.214SC..SBendtrans93.5-6-175.100000115.3F1045G1019-F1045 WeakPolarHBondContact O-CE2 3.48Å
1020N91.1Very high94.7Very high39 Ų3937.7 Ų37.721%0.20921%0.211CC..SBendtrans-108.1-40.3170.1-80.7-45.2000112.5N1018 F1044 F1045 S1046 G1058N1018-N1020 PolarHBondContact OD1-N 3.02Å; N1020-F1044 HydrophobicContact CB-CE2 4.18Å; N1020-F1044 VanDerWaalsContact O-CD2 3.3Å; N1020-F1044 WeakPolarHBondContact O-CD2 3.48Å; N1020-F1045 WeakPolarHBondContact O-CD2 3.45Å; N1020-F1045 PolarHBondContact O-N 2.65Å; N1020-F1045 VanDerWaalsContact O-N 3.09Å; N1020-S1046 WeakPolarHBondContact CA-OG 3.41Å; N1020-S1046 PolarHBondContact O-N 3.37Å; N1020-S1046 WeakPolarHBondContact OD1-CB 3.46Å; N1020-S1046 PolarHBondContact OD1-OG 3Å; N1020-G1058 WeakPolarHBondContact ND2-CA 3.33Å
1021F95.2Very high94.4Very high8 Ų839.9 Ų39.94%0.03522%0.223CC..EExtended strand (participates in β ladder)trans-137.7173.2171.554.5-89000111.5S1017 N1018 F1042 A1043 F1044 D1061 L1062S1017-F1021 WeakPolarHBondContact CA-O 3.49Å; S1017-F1021 WeakPolarHBondContact CB-O 3.49Å; S1017-F1021 PolarHBondContact OG-O 3.32Å; N1018-F1021 PolarHBondContact N-O 3.11Å; N1018-F1021 WeakPolarHBondContact ND2-CE1 3.25Å; N1018-F1021 WeakPolarHBondContact ND2-CZ 3.41Å; N1018-F1021 PolarHBondContact OD1-N 3.46Å; N1018-F1021 PolarHBondContact OD1-O 3.1Å; N1018-F1021 VanDerWaalsContact OD1-O 3.1Å; F1021-F1042 AromaticContact CD2-CD1 3.89Å; F1021-F1042 HydrophobicContact CD2-CD1 3.89Å; F1021-F1042 AromaticContact CE2-CD1 3.82Å; F1021-F1042 HydrophobicContact CE2-CD1 3.82Å; F1021-F1042 HydrophobicContact CE2-CE1 4.07Å; F1021-A1043 CarbonylContact C-O 3.57Å; F1021-A1043 WeakPolarHBondContact CA-O 3.48Å; F1021-A1043 VanDerWaalsContact CB-O 3.3Å; F1021-A1043 WeakPolarHBondContact CB-O 3.33Å; F1021-F1044 HydrophobicContact CB-CB 4.27Å; F1021-F1044 HydrophobicContact CB-CD2 4.18Å; F1021-F1044 HydrophobicContact CD1-CD2 4.35Å; F1021-D1061 HydrophobicContact CE1-CB 4.37Å; F1021-L1062 HydrophobicContact CB-CD1 4.16Å; F1021-L1062 HydrophobicContact CD1-CB 3.8Å; F1021-L1062 HydrophobicContact CD1-CD1 3.83Å; F1021-L1062 HydrophobicContact CD1-CG 4.42Å; F1021-L1062 HydrophobicContact CD2-CD1 4.13Å; F1021-L1062 HydrophobicContact CE1-CB 3.81Å; F1021-L1062 HydrophobicContact CE1-CD1 4.21Å; F1021-L1062 HydrophobicContact CE2-CD1 4.5Å; F1021-L1062 HydrophobicContact CG-CD1 3.79Å
1022A95.3Very high93.8Very high15 Ų1542.8 Ų42.812%0.12424%0.236CC..EExtended strand (participates in β ladder)trans-117136.7162.300000109.2E1016 F1042 A1043 F1045E1016-A1022 CarbonylContact O-C 3.43Å; E1016-A1022 WeakPolarHBondContact O-CA 2.99Å; E1016-A1022 WeakPolarHBondContact O-CB 3.41Å; A1022-F1042 CarbonylContact O-C 3.55Å; A1022-F1042 WeakPolarHBondContact O-CA 3.47Å; A1022-A1043 PolarHBondContact N-O 2.91Å; A1022-A1043 PolarHBondContact O-N 3.3Å; A1022-F1045 HydrophobicContact CB-CE1 4.06Å
1023Q96.8Very high93.3Very high47 Ų4745.9 Ų45.922%0.2225%0.253CS..EExtended strand (participates in β ladder)trans-102.6127.9169.1179.4175-9.700108.3C1015 E1016 E1040 H1041 F1042C1015-Q1023 WeakPolarHBondContact CA-O 3.3Å; E1016-Q1023 PolarHBondContact N-O 3.12Å; E1016-Q1023 PolarHBondContact O-N 3.35Å; Q1023-E1040 WeakPolarHBondContact CG-OE2 3.42Å; Q1023-E1040 PolarHBondContact NE2-OE2 3.21Å; Q1023-H1041 CarbonylContact C-O 3.55Å; Q1023-H1041 WeakPolarHBondContact CA-O 3.33Å; Q1023-F1042 HydrophobicContact CB-CD1 4.11Å; Q1023-F1042 HydrophobicContact CB-CE1 3.93Å; Q1023-F1042 HydrophobicContact CB-CZ 4.49Å; Q1023-F1042 VanDerWaalsContact CD-CZ 3.4Å; Q1023-F1042 HydrophobicContact CG-CD1 4.23Å; Q1023-F1042 HydrophobicContact CG-CE1 3.74Å; Q1023-F1042 HydrophobicContact CG-CE2 4.32Å; Q1023-F1042 HydrophobicContact CG-CZ 3.79Å
1024T97.3Very high92.9Very high4 Ų449.7 Ų49.73%0.02527%0.266CS..EExtended strand (participates in β ladder)trans-128.8116.8-176.4-50.80000110.2N1012 K1014 C1015 L1026 H1041N1012-T1024 VanDerWaalsContact ND2-CG2 3.32Å; N1012-T1024 WeakPolarHBondContact ND2-CG2 3.47Å; K1014-T1024 CarbonylContact O-C 3.18Å; K1014-T1024 VanDerWaalsContact O-CA 3.31Å; K1014-T1024 WeakPolarHBondContact O-CA 3.42Å; K1014-T1024 WeakPolarHBondContact O-CG2 3.4Å; C1015-T1024 HydrophobicContact CB-CG2 4.35Å; C1015-T1024 PolarHBondContact SG-OG1 3.29Å; T1024-L1026 HydrophobicContact CG2-CD2 3.69Å; T1024-L1026 HydrophobicContact CG2-CG 4.22Å; T1024-L1026 PolarHBondContact O-N 3.23Å; T1024-H1041 PolarHBondContact N-O 3.36Å; T1024-H1041 WeakPolarHBondContact O-CB 3.38Å; T1024-H1041 PolarHBondContact O-N 3.3Å
1025T97.8Very high92.7Very high27 Ų2749.8 Ų49.817%0.16627%0.268CS..EExtended strand (participates in β ladder)trans-74.6110.2171-57.70000108.5V1013 K1014 E1040V1013-T1025 HydrophobicContact CB-CG2 4.07Å; V1013-T1025 WeakPolarHBondContact CB-O 3.29Å; V1013-T1025 PolarHBondContact N-O 3.32Å; K1014-T1025 PolarHBondContact O-N 3.11Å; T1025-E1040 WeakPolarHBondContact CA-OE1 3.4Å; T1025-E1040 WeakPolarHBondContact CB-OE1 3.47Å; T1025-E1040 VanDerWaalsContact CG2-OE1 3.24Å; T1025-E1040 WeakPolarHBondContact CG2-OE1 3.18Å; T1025-E1040 PolarHBondContact OG1-OE1 3.26Å; T1025-E1040 PolarHBondContact OG1-OE2 3.29Å
1026L98.1Very high92.7Very high0 Ų051.1 Ų51.10%027%0.274CS..EExtended strand (participates in β ladder)trans-100133.6175.6-61.5178.9000110.3W934 W963 P964 E1011 N1012 T1024 T1038 V1039 H1041W934-L1026 HydrophobicContact CH2-CD1 3.75Å; W934-L1026 HydrophobicContact CZ2-CD1 4.31Å; W963-L1026 HydrophobicContact CB-CD1 3.82Å; W963-L1026 HydrophobicContact CB-CD2 4.44Å; W963-L1026 HydrophobicContact CG-CD1 4.41Å; P964-L1026 HydrophobicContact CG-CD2 4.37Å; E1011-L1026 CarbonylContact O-C 3.5Å; E1011-L1026 WeakPolarHBondContact O-CA 3.43Å; N1012-L1026 HydrophobicContact CB-CD2 4.27Å; T1024-L1026 HydrophobicContact CG2-CD2 3.69Å; T1024-L1026 HydrophobicContact CG2-CG 4.22Å; T1024-L1026 PolarHBondContact O-N 3.23Å; L1026-T1038 CarbonylContact O-C 3.58Å; L1026-T1038 WeakPolarHBondContact O-CA 3.48Å; L1026-V1039 PolarHBondContact N-O 3.35Å; L1026-V1039 PolarHBondContact O-N 3.18Å; L1026-H1041 HydrophobicContact CD1-CB 3.72Å; L1026-H1041 HydrophobicContact CG-CB 4.12Å
1027R97.7Very high92.8Very high94 Ų9448.7 Ų48.736%0.35526%0.261SS..EExtended strand (participates in β ladder)trans-97.2118.9168.2169.5161.465.7-1611109.1I1010 E1011 V1013 V1036I1010-R1027 WeakPolarHBondContact CA-O 3.27Å; E1011-R1027 HydrophobicContact CB-CB 4.29Å; E1011-R1027 PolarHBondContact N-O 2.7Å; E1011-R1027 PolarHBondContact O-N 3.07Å; E1011-R1027 IonicContact OE1-CZ 3.25Å; E1011-R1027 IonicContact OE1-NH2 2.7Å; E1011-R1027 PolarHBondContact OE1-NH2 2.92Å; E1011-R1027 IonicContact OE2-CZ 2.86Å; E1011-R1027 VanDerWaalsContact OE2-CZ 3.26Å; E1011-R1027 IonicContact OE2-NE 2.7Å; E1011-R1027 PolarHBondContact OE2-NE 3.42Å; E1011-R1027 IonicContact OE2-NH2 2.79Å; E1011-R1027 PolarHBondContact OE2-NH2 3.12Å; V1013-R1027 HydrophobicContact CG2-CB 3.54Å; R1027-V1036 HydrophobicContact CG-CG1 3.69Å
1028I97Very high93Very high4 Ų448.9 Ų48.92%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-102.6131.3172.959.4176.6000109.8W934 I937 W938 L1009 I1010 V1036 R1037 V1039W934-I1028 HydrophobicContact CE3-CG2 3.89Å; W934-I1028 HydrophobicContact CH2-CG2 4.27Å; W934-I1028 HydrophobicContact CZ3-CG2 3.57Å; I937-I1028 HydrophobicContact CG2-CD1 3.99Å; W938-I1028 HydrophobicContact CE3-CD1 3.89Å; W938-I1028 HydrophobicContact CE3-CG1 4.21Å; W938-I1028 HydrophobicContact CZ3-CD1 4.23Å; W938-I1028 HydrophobicContact CZ3-CG1 4.1Å; L1009-I1028 WeakPolarHBondContact O-CA 3.5Å; I1010-I1028 HydrophobicContact CD1-CB 4.37Å; I1010-I1028 HydrophobicContact CD1-CG2 3.69Å; I1010-I1028 HydrophobicContact CG2-CG2 4.44Å; I1028-V1036 CarbonylContact O-C 3.55Å; I1028-V1036 WeakPolarHBondContact O-CA 3.32Å; I1028-R1037 HydrophobicContact CD1-CB 4.17Å; I1028-R1037 HydrophobicContact CG1-CB 3.85Å; I1028-R1037 WeakPolarHBondContact CG1-O 3.33Å; I1028-R1037 PolarHBondContact N-O 3.48Å; I1028-R1037 PolarHBondContact O-N 3.41Å; I1028-V1039 HydrophobicContact CD1-CG2 3.59Å; I1028-V1039 HydrophobicContact CG1-CG2 4.11Å; I1028-V1039 HydrophobicContact CG2-CG2 4.48Å
1029T96.1Very high93.5Very high21 Ų2145.4 Ų45.413%0.12924%0.24CC..EExtended strand (participates in β ladder)trans-125.7120.7178.9-54.70000109F1008 L1009 L1031 E1035 V1036F1008-T1029 WeakPolarHBondContact CA-O 3.05Å; L1009-T1029 PolarHBondContact N-O 3.41Å; L1009-T1029 PolarHBondContact O-N 2.87Å; T1029-L1031 HydrophobicContact CG2-CD2 4.26Å; T1029-E1035 WeakPolarHBondContact CA-O 3.25Å; T1029-V1036 HydrophobicContact CG2-CG2 3.97Å
1030H92.6Very high94.2Very high13 Ų1344 Ų446%0.0622%0.221CC..EExtended strand (participates in β ladder)trans-84.3115.1172.7-172.2-10.9000108.8W938 D1007 F1008 Q1032 L1033 H1034 E1035W938-H1030 AromaticContact CD1-CD2 3.95Å; W938-H1030 HydrophobicContact CD2-CB 4.1Å; W938-H1030 AromaticContact CE2-CD2 3.66Å; W938-H1030 HydrophobicContact CE3-CB 4.14Å; W938-H1030 HydrophobicContact CH2-CB 3.61Å; W938-H1030 HydrophobicContact CZ2-CB 3.52Å; W938-H1030 HydrophobicContact CZ3-CB 3.91Å; W938-H1030 AromaticContact NE1-CD2 3.48Å; W938-H1030 PolarHBondContact NE1-CD2 2.86Å; D1007-H1030 CarbonylContact O-C 3.59Å; D1007-H1030 WeakPolarHBondContact O-CA 3.44Å; D1007-H1030 PolarHBondContact O-ND1 2.78Å; F1008-H1030 HydrophobicContact CD1-CB 4.3Å; F1008-H1030 HydrophobicContact CE1-CB 4.14Å; F1008-H1030 AromaticContact CE1-CG 3.92Å; H1030-Q1032 PolarHBondContact CE1-OE1 3.01Å; H1030-Q1032 PolarHBondContact ND1-OE1 3.22Å; H1030-Q1032 PolarHBondContact O-N 3.2Å; H1030-L1033 HydrophobicContact CB-CB 4.37Å; H1030-L1033 VanDerWaalsContact CD2-CD1 3.45Å; H1030-L1033 WeakPolarHBondContact CD2-CD1 3.25Å; H1030-L1033 PolarHBondContact O-N 3.39Å; H1030-H1034 WeakPolarHBondContact O-CA 3.33Å; H1030-H1034 PolarHBondContact O-N 3.45Å; H1030-E1035 PolarHBondContact N-O 2.98Å
1031L90.8Very high94.5Very high45 Ų4542.1 Ų42.124%0.23621%0.211CC..THydrogen-bonded Turntrans-74-24.2-163.5-67.3171.2000113.6Y972 P1006 D1007 L1009 T1029 H1034Y972-L1031 HydrophobicContact CD1-CD1 4.01Å; Y972-L1031 HydrophobicContact CE1-CD1 4.37Å; P1006-L1031 HydrophobicContact CB-CD1 3.88Å; P1006-L1031 HydrophobicContact CG-CD1 3.81Å; P1006-L1031 WeakPolarHBondContact O-CD1 3.46Å; D1007-L1031 PolarHBondContact O-N 3.26Å; L1009-L1031 HydrophobicContact CB-CD1 4.15Å; L1009-L1031 HydrophobicContact CB-CD2 3.89Å; L1009-L1031 HydrophobicContact CB-CG 4.2Å; L1009-L1031 HydrophobicContact CD2-CD2 4.49Å; T1029-L1031 HydrophobicContact CG2-CD2 4.26Å; L1031-H1034 PolarHBondContact O-CE1 3.27Å; L1031-H1034 PolarHBondContact O-ND1 3.21Å
1032Q84.2Confident94.6Very high78 Ų7841.8 Ų41.836%0.36421%0.209SC..THydrogen-bonded Turntrans-83.8-42.1173-62.286.4-16.700113.2D1007 H1030D1007-Q1032 PolarHBondContact O-OE1 3.1Å; D1007-Q1032 PolarHBondContact OD1-NE2 3.31Å; H1030-Q1032 PolarHBondContact CE1-OE1 3.01Å; H1030-Q1032 PolarHBondContact ND1-OE1 3.22Å; H1030-Q1032 PolarHBondContact O-N 3.2Å
1033L86.9Confident94.7Very high66 Ų6641.8 Ų41.835%0.34621%0.209SC..THydrogen-bonded Turntrans-80.2-18.9-180-63.5-177.1000113.1H1030 E1035H1030-L1033 HydrophobicContact CB-CB 4.37Å; H1030-L1033 VanDerWaalsContact CD2-CD1 3.45Å; H1030-L1033 WeakPolarHBondContact CD2-CD1 3.25Å; H1030-L1033 PolarHBondContact O-N 3.39Å; L1033-E1035 HydrophobicContact CB-CB 4.42Å; L1033-E1035 HydrophobicContact CB-CG 4.32Å; L1033-E1035 PolarHBondContact O-N 2.95Å; L1033-E1035 VanDerWaalsContact O-N 3.09Å
1034H87.7Confident94.6Very high140 Ų14039.8 Ų39.865%0.64820%0.2SC*.  trans59.110.9-171.4-55.6-27.1000114.7H1030 L1031H1030-H1034 WeakPolarHBondContact O-CA 3.33Å; H1030-H1034 PolarHBondContact O-N 3.45Å; L1031-H1034 PolarHBondContact O-CE1 3.27Å; L1031-H1034 PolarHBondContact O-ND1 3.21Å
1035E91.7Very high94.2Very high90 Ų9041.7 Ų41.742%0.42121%0.208SC..  trans-70.3149.3168.9-75.2-174.5-159.800111.6W938 T1029 H1030 L1033 R1037W938-E1035 HydrophobicContact CH2-CB 3.47Å; W938-E1035 VanDerWaalsContact CH2-CB 3.47Å; W938-E1035 HydrophobicContact CZ2-CB 3.6Å; W938-E1035 HydrophobicContact CZ2-CG 4.43Å; W938-E1035 VanDerWaalsContact CZ2-OE2 3.29Å; W938-E1035 WeakPolarHBondContact CZ2-OE2 3.34Å; T1029-E1035 WeakPolarHBondContact CA-O 3.25Å; H1030-E1035 PolarHBondContact N-O 2.98Å; L1033-E1035 HydrophobicContact CB-CB 4.42Å; L1033-E1035 HydrophobicContact CB-CG 4.32Å; L1033-E1035 PolarHBondContact O-N 2.95Å; L1033-E1035 VanDerWaalsContact O-N 3.09Å; E1035-R1037 IonicContact OE2-CZ 3.19Å; E1035-R1037 IonicContact OE2-NE 3.42Å; E1035-R1037 IonicContact OE2-NH2 2.76Å; E1035-R1037 PolarHBondContact OE2-NH2 2.82Å
1036V94.8Very high93.5Very high82 Ų8242.4 Ų42.450%0.49721%0.214SC..EExtended strand (participates in β ladder)trans-131.2136.2179.3179.20000109R1027 I1028 T1029R1027-V1036 HydrophobicContact CG-CG1 3.69Å; I1028-V1036 CarbonylContact O-C 3.55Å; I1028-V1036 WeakPolarHBondContact O-CA 3.32Å; T1029-V1036 HydrophobicContact CG2-CG2 3.97Å
1037R95Very high93.1Very high49 Ų4942.6 Ų42.619%0.18522%0.215CC..EExtended strand (participates in β ladder)trans-135.5160.5174.4-53.2179.8-167160.16110.5W938 I1028 E1035W938-R1037 VanDerWaalsContact CE2-NH2 3.34Å; W938-R1037 HydrophobicContact CH2-CG 4.03Å; W938-R1037 VanDerWaalsContact CZ2-CZ 3.48Å; W938-R1037 VanDerWaalsContact CZ2-NH2 3.25Å; W938-R1037 HydrophobicContact CZ3-CB 4.46Å; W938-R1037 HydrophobicContact CZ3-CG 3.99Å; W938-R1037 PolarHBondContact O-NH1 3.5Å; I1028-R1037 HydrophobicContact CD1-CB 4.17Å; I1028-R1037 HydrophobicContact CG1-CB 3.85Å; I1028-R1037 WeakPolarHBondContact CG1-O 3.33Å; I1028-R1037 PolarHBondContact N-O 3.48Å; I1028-R1037 PolarHBondContact O-N 3.41Å; E1035-R1037 IonicContact OE2-CZ 3.19Å; E1035-R1037 IonicContact OE2-NE 3.42Å; E1035-R1037 IonicContact OE2-NH2 2.76Å; E1035-R1037 PolarHBondContact OE2-NH2 2.82Å
1038T96.1Very high92.2Very high80 Ų8040.3 Ų40.349%0.49121%0.212SC..EExtended strand (participates in β ladder)trans-106.4142.9173.844.40000110.3L1026L1026-T1038 CarbonylContact O-C 3.58Å; L1026-T1038 WeakPolarHBondContact O-CA 3.48Å
1039V97.6Very high90.6Very high2 Ų242.8 Ų42.81%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-136.6128.1176.9179.70000108.8I937 C942 P943 I945 L1026 I1028I937-V1039 HydrophobicContact CG2-CG2 3.96Å; C942-V1039 WeakPolarHBondContact O-CG2 3.4Å; P943-V1039 CarbonylContact O-C 3.54Å; P943-V1039 WeakPolarHBondContact O-CA 3.31Å; I945-V1039 HydrophobicContact CD1-CG1 3.79Å; I945-V1039 HydrophobicContact CG1-CG1 3.82Å; L1026-V1039 PolarHBondContact N-O 3.35Å; L1026-V1039 PolarHBondContact O-N 3.18Å; I1028-V1039 HydrophobicContact CD1-CG2 3.59Å; I1028-V1039 HydrophobicContact CG1-CG2 4.11Å; I1028-V1039 HydrophobicContact CG2-CG2 4.48Å
1040E97.9Very high89.1Confident20 Ų2047.2 Ų47.29%0.09325%0.245CC..EExtended strand (participates in β ladder)trans-88.7121.3176-67.6-63.5129.900110.1P943 I944 I945 Q1023 T1025 F1042 T1069P943-E1040 PolarHBondContact O-N 3.43Å; I944-E1040 VanDerWaalsContact CA-O 3.31Å; I944-E1040 WeakPolarHBondContact CA-O 3.31Å; I944-E1040 HydrophobicContact CG1-CB 4.38Å; I945-E1040 PolarHBondContact N-O 3.35Å; Q1023-E1040 WeakPolarHBondContact CG-OE2 3.42Å; Q1023-E1040 PolarHBondContact NE2-OE2 3.21Å; T1025-E1040 WeakPolarHBondContact CA-OE1 3.4Å; T1025-E1040 WeakPolarHBondContact CB-OE1 3.47Å; T1025-E1040 VanDerWaalsContact CG2-OE1 3.24Å; T1025-E1040 WeakPolarHBondContact CG2-OE1 3.18Å; T1025-E1040 PolarHBondContact OG1-OE1 3.26Å; T1025-E1040 PolarHBondContact OG1-OE2 3.29Å; E1040-F1042 HydrophobicContact CB-CE2 3.88Å; E1040-T1069 HydrophobicContact CB-CG2 4.06Å; E1040-T1069 HydrophobicContact CG-CG2 3.86Å
1041H98.1Very high88.6Confident0 Ų047.9 Ų47.90%026%0.255CS..EExtended strand (participates in β ladder)trans-109.9114.5-175.5178.7-92.2000110.7I945 Y962 W963 Q1023 T1024 L1026I945-H1041 WeakPolarHBondContact O-CA 3.44Å; Y962-H1041 AromaticContact CE2-CD2 3.98Å; Y962-H1041 AromaticContact CE2-NE2 3.69Å; Y962-H1041 AromaticContact CZ-NE2 3.48Å; Y962-H1041 PolarHBondContact OH-CD2 3.33Å; Y962-H1041 PolarHBondContact OH-NE2 3.16Å; W963-H1041 AromaticContact CD2-CE1 3.69Å; W963-H1041 AromaticContact CD2-NE2 3.95Å; W963-H1041 AromaticContact CE2-CE1 3.51Å; W963-H1041 AromaticContact CZ2-CE1 3.79Å; W963-H1041 AromaticContact NE1-CE1 3.81Å; W963-H1041 AromaticContact NE1-ND1 3.96Å; Q1023-H1041 CarbonylContact C-O 3.55Å; Q1023-H1041 WeakPolarHBondContact CA-O 3.33Å; T1024-H1041 PolarHBondContact N-O 3.36Å; T1024-H1041 WeakPolarHBondContact O-CB 3.38Å; T1024-H1041 PolarHBondContact O-N 3.3Å; L1026-H1041 HydrophobicContact CD1-CB 3.72Å; L1026-H1041 HydrophobicContact CG-CB 4.12Å
1042F98.1Very high88.5Confident0 Ų047.5 Ų47.50%026%0.255CS..EExtended strand (participates in β ladder)trans-103.8110.5-179.9-67.7-97.9000110.3I944 I945 M947 F1021 A1022 Q1023 E1040 L1062 V1066 T1069I944-F1042 HydrophobicContact CG2-CD2 3.76Å; I944-F1042 HydrophobicContact CG2-CE2 3.91Å; I945-F1042 PolarHBondContact O-N 3.46Å; M947-F1042 PolarHBondContact N-O 2.96Å; F1021-F1042 AromaticContact CD2-CD1 3.89Å; F1021-F1042 HydrophobicContact CD2-CD1 3.89Å; F1021-F1042 AromaticContact CE2-CD1 3.82Å; F1021-F1042 HydrophobicContact CE2-CD1 3.82Å; F1021-F1042 HydrophobicContact CE2-CE1 4.07Å; A1022-F1042 CarbonylContact O-C 3.55Å; A1022-F1042 WeakPolarHBondContact O-CA 3.47Å; Q1023-F1042 HydrophobicContact CB-CD1 4.11Å; Q1023-F1042 HydrophobicContact CB-CE1 3.93Å; Q1023-F1042 HydrophobicContact CB-CZ 4.49Å; Q1023-F1042 VanDerWaalsContact CD-CZ 3.4Å; Q1023-F1042 HydrophobicContact CG-CD1 4.23Å; Q1023-F1042 HydrophobicContact CG-CE1 3.74Å; Q1023-F1042 HydrophobicContact CG-CE2 4.32Å; Q1023-F1042 HydrophobicContact CG-CZ 3.79Å; E1040-F1042 HydrophobicContact CB-CE2 3.88Å; F1042-L1062 HydrophobicContact CB-CD1 3.86Å; F1042-L1062 HydrophobicContact CD1-CD1 4.07Å; F1042-L1062 HydrophobicContact CG-CD1 4.32Å; F1042-V1066 HydrophobicContact CB-CG2 4.27Å; F1042-V1066 HydrophobicContact CD1-CG2 3.95Å; F1042-V1066 HydrophobicContact CD2-CG2 3.8Å; F1042-V1066 HydrophobicContact CE1-CG2 4.22Å; F1042-V1066 HydrophobicContact CE2-CG2 4.07Å; F1042-V1066 HydrophobicContact CG-CG2 3.74Å; F1042-V1066 HydrophobicContact CZ-CG2 4.27Å; F1042-T1069 HydrophobicContact CE2-CG2 4.25Å; F1042-T1069 HydrophobicContact CZ-CG2 4.19Å
1043A96Very high88.8Confident16 Ų1644.2 Ų44.213%0.13224%0.24CC..EExtended strand (participates in β ladder)trans-104.4100.7178.800000111.1F1021 A1022 F1045F1021-A1043 CarbonylContact C-O 3.57Å; F1021-A1043 WeakPolarHBondContact CA-O 3.48Å; F1021-A1043 VanDerWaalsContact CB-O 3.3Å; F1021-A1043 WeakPolarHBondContact CB-O 3.33Å; A1022-A1043 PolarHBondContact N-O 2.91Å; A1022-A1043 PolarHBondContact O-N 3.3Å; A1043-F1045 VanDerWaalsContact O-CD1 3.24Å; A1043-F1045 WeakPolarHBondContact O-CD1 3.48Å
1044F95.1Very high88.7Confident4 Ų449.5 Ų49.52%0.01826%0.263CS..EExtended strand (participates in β ladder)trans-86.6122.1178.8-176-104.8000111.8M947 I948 N1020 F1021 W1047 G1058 L1062M947-F1044 PolarHBondContact O-N 3.29Å; I948-F1044 HydrophobicContact CG2-CB 4.49Å; I948-F1044 HydrophobicContact CG2-CD1 3.84Å; N1020-F1044 HydrophobicContact CB-CE2 4.18Å; N1020-F1044 VanDerWaalsContact O-CD2 3.3Å; N1020-F1044 WeakPolarHBondContact O-CD2 3.48Å; F1021-F1044 HydrophobicContact CB-CB 4.27Å; F1021-F1044 HydrophobicContact CB-CD2 4.18Å; F1021-F1044 HydrophobicContact CD1-CD2 4.35Å; F1044-W1047 HydrophobicContact CD1-CB 4.05Å; F1044-W1047 HydrophobicContact CD1-CE3 4.37Å; F1044-W1047 HydrophobicContact CE1-CB 3.78Å; F1044-W1047 AromaticContact CE1-CE3 4Å; F1044-W1047 HydrophobicContact CE1-CE3 4Å; F1044-W1047 VanDerWaalsContact CE1-N 3.31Å; F1044-G1058 WeakPolarHBondContact CE2-O 3.46Å; F1044-L1062 HydrophobicContact CB-CD2 3.79Å; F1044-L1062 HydrophobicContact CD2-CB 4.42Å; F1044-L1062 HydrophobicContact CD2-CD2 4.02Å; F1044-L1062 HydrophobicContact CG-CD2 3.95Å
1045F88.1Confident88.9Confident44 Ų4446.6 Ų46.619%0.19326%0.255CS..  trans-121.6-2.5-17445.6-107.2000114.3R950 G1019 N1020 A1022 A1043 W1047R950-F1045 HydrophobicContact CG-CB 4.24Å; R950-F1045 PolarHBondContact NE-O 3.42Å; R950-F1045 VanDerWaalsContact NE-O 3.12Å; R950-F1045 PolarHBondContact NH2-O 2.82Å; G1019-F1045 WeakPolarHBondContact O-CE2 3.48Å; N1020-F1045 WeakPolarHBondContact O-CD2 3.45Å; N1020-F1045 PolarHBondContact O-N 2.65Å; N1020-F1045 VanDerWaalsContact O-N 3.09Å; A1022-F1045 HydrophobicContact CB-CE1 4.06Å; A1043-F1045 VanDerWaalsContact O-CD1 3.24Å; A1043-F1045 WeakPolarHBondContact O-CD1 3.48Å; F1045-W1047 VanDerWaalsContact C-N 3.27Å; F1045-W1047 PolarHBondContact O-N 2.94Å
1046S85Confident89Confident43 Ų4342.7 Ų42.730%0.30124%0.238SC..  trans-78.2-0.2172-730000114.7N1020 P1048N1020-S1046 WeakPolarHBondContact CA-OG 3.41Å; N1020-S1046 PolarHBondContact O-N 3.37Å; N1020-S1046 WeakPolarHBondContact OD1-CB 3.46Å; N1020-S1046 PolarHBondContact OD1-OG 3Å; S1046-P1048 WeakPolarHBondContact O-CD 3.49Å
1047W89Confident88.9Confident3 Ų345.4 Ų45.41%0.01125%0.245CC..SBendtrans-77.8124.8168.6-149.7-56.9000110.6I948 F1044 F1045 G1051 T1052 P1053 L1059 R1102 T1105 Q1148 F1151I948-W1047 HydrophobicContact CG2-CD2 4.45Å; I948-W1047 HydrophobicContact CG2-CE3 3.56Å; I948-W1047 HydrophobicContact CG2-CZ3 4.02Å; F1044-W1047 HydrophobicContact CD1-CB 4.05Å; F1044-W1047 HydrophobicContact CD1-CE3 4.37Å; F1044-W1047 HydrophobicContact CE1-CB 3.78Å; F1044-W1047 AromaticContact CE1-CE3 4Å; F1044-W1047 HydrophobicContact CE1-CE3 4Å; F1044-W1047 VanDerWaalsContact CE1-N 3.31Å; F1045-W1047 VanDerWaalsContact C-N 3.27Å; F1045-W1047 PolarHBondContact O-N 2.94Å; W1047-G1051 PolarHBondContact NE1-O 2.87Å; W1047-T1052 HydrophobicContact CZ2-CG2 4.05Å; W1047-P1053 HydrophobicContact CD2-CG 3.94Å; W1047-P1053 HydrophobicContact CE3-CG 4.19Å; W1047-P1053 HydrophobicContact CG-CG 4.13Å; W1047-L1059 HydrophobicContact CZ3-CD2 4.42Å; W1047-R1102 HydrophobicContact CD2-CB 4.27Å; W1047-R1102 VanDerWaalsContact CD2-CD 3.45Å; W1047-R1102 HydrophobicContact CD2-CG 3.74Å; W1047-R1102 HydrophobicContact CE3-CB 4.12Å; W1047-R1102 HydrophobicContact CE3-CG 4.12Å; W1047-R1102 HydrophobicContact CG-CG 4.25Å; W1047-R1102 HydrophobicContact CH2-CB 3.99Å; W1047-R1102 HydrophobicContact CH2-CG 4.11Å; W1047-R1102 HydrophobicContact CZ2-CB 4.13Å; W1047-R1102 HydrophobicContact CZ2-CG 3.72Å; W1047-R1102 HydrophobicContact CZ3-CB 3.99Å; W1047-R1102 HydrophobicContact CZ3-CG 4.3Å; W1047-T1105 HydrophobicContact CH2-CG2 3.79Å; W1047-Q1148 HydrophobicContact CZ2-CG 4.49Å; W1047-F1151 HydrophobicContact CH2-CD1 4.47Å; W1047-F1151 HydrophobicContact CH2-CE1 4.46Å
1048P79.7Confident88.9Confident47 Ų4743.2 Ų43.231%0.30524%0.238SC..  trans-69.6157.3177.927.2-35.2000113.8S1046 H1050 T1052 R1102S1046-P1048 WeakPolarHBondContact O-CD 3.49Å; P1048-H1050 WeakPolarHBondContact CB-O 3.4Å; P1048-H1050 WeakPolarHBondContact CG-O 3.48Å; P1048-H1050 PolarHBondContact O-N 3.19Å; P1048-T1052 VanDerWaalsContact CG-O 3.31Å; P1048-T1052 WeakPolarHBondContact CG-O 3.47Å; P1048-R1102 PolarHBondContact O-NH2 3.42Å
1049D62.5Low88.9Confident55 Ų5539.4 Ų39.429%0.29421%0.214SC..SBendtrans-62.3-25.4177.5-70.57.3000112.9E953 A954E953-D1049 WeakPolarHBondContact CA-OD2 3.27Å; E953-D1049 HydrophobicContact CB-CB 4.4Å; E953-D1049 WeakPolarHBondContact CB-OD1 3.4Å; E953-D1049 WeakPolarHBondContact CG-OD1 3.35Å; A954-D1049 PolarHBondContact N-OD2 2.99Å
1050H65.2Low88.8Confident114 Ų11439.9 Ų39.953%0.52822%0.217SC..SBendtrans-129.1140.1176.3-63.4-92.3000109.8P1048 Y1199P1048-H1050 WeakPolarHBondContact CB-O 3.4Å; P1048-H1050 WeakPolarHBondContact CG-O 3.48Å; P1048-H1050 PolarHBondContact O-N 3.19Å; H1050-Y1199 PolarHBondContact CE1-O 2.81Å; H1050-Y1199 PolarHBondContact ND1-O 2.87Å
1051G80.8Confident88.7Confident28 Ų2841.8 Ų41.829%0.28923%0.228SC..SBendtrans72.8-148.6178.500000114.9W1047W1047-G1051 PolarHBondContact NE1-O 2.87Å
1052T89.3Confident88.7Confident36 Ų3641.8 Ų41.822%0.22123%0.228CC..  trans-120.4163-178.544.90000111.1W1047 P1048 S1147 Q1148 F1151W1047-T1052 HydrophobicContact CZ2-CG2 4.05Å; P1048-T1052 VanDerWaalsContact CG-O 3.31Å; P1048-T1052 WeakPolarHBondContact CG-O 3.47Å; T1052-S1147 VanDerWaalsContact CG2-O 3.29Å; T1052-S1147 WeakPolarHBondContact CG2-O 3.47Å; T1052-Q1148 HydrophobicContact CG2-CB 4.49Å; T1052-Q1148 HydrophobicContact CG2-CG 3.94Å; T1052-F1151 HydrophobicContact CG2-CB 3.78Å; T1052-F1151 HydrophobicContact CG2-CD1 4.43Å; T1052-F1151 HydrophobicContact CG2-CD2 4.44Å; T1052-F1151 HydrophobicContact CG2-CG 3.98Å
1053P90.6Very high88.6Confident9 Ų941.8 Ų41.86%0.05823%0.228CC..  trans-56141.2173.9-24.735.2000111.9W1047 T1055 F1151W1047-P1053 HydrophobicContact CD2-CG 3.94Å; W1047-P1053 HydrophobicContact CE3-CG 4.19Å; W1047-P1053 HydrophobicContact CG-CG 4.13Å; P1053-T1055 WeakPolarHBondContact CB-O 2.97Å; P1053-T1055 PolarHBondContact O-N 2.98Å; P1053-F1151 HydrophobicContact CB-CE2 4.07Å; P1053-F1151 HydrophobicContact CB-CZ 3.8Å; P1053-F1151 HydrophobicContact CG-CE1 4.2Å; P1053-F1151 HydrophobicContact CG-CE2 4.34Å; P1053-F1151 HydrophobicContact CG-CZ 3.74Å; P1053-F1151 WeakPolarHBondContact O-CE2 3.4Å
1054Q85.6Confident88.6Confident178 Ų17844.1 Ų44.183%0.83224%0.24SC*.SBendtrans-69.5-23.6176.4-71.4-178.2-36.100112.8R1154Q1054-R1154 PolarHBondContact O-NH1 2.88Å; Q1054-R1154 PolarHBondContact O-NH2 2.8Å
1055T90.3Very high88.6Confident78 Ų7845.2 Ų45.248%0.47925%0.249SC..  trans-129.5150.7173.961.80000110.5P1053P1053-T1055 WeakPolarHBondContact CB-O 2.97Å; P1053-T1055 PolarHBondContact O-N 2.98Å
1056T94.1Very high89.1Confident9 Ų943.2 Ų43.26%0.05524%0.24CC..SBendtrans-88.3-23.9-179.749.90000113.1G1058 L1059 L1060 F1151 R1154 A1155 D1158T1056-G1058 VanDerWaalsContact C-N 3.34Å; T1056-G1058 PolarHBondContact O-N 3.5Å; T1056-L1059 WeakPolarHBondContact O-CA 3.07Å; T1056-L1059 WeakPolarHBondContact O-CB 3.39Å; T1056-L1059 PolarHBondContact O-N 2.15Å; T1056-L1060 PolarHBondContact O-N 2.94Å; T1056-F1151 HydrophobicContact CG2-CE2 3.75Å; T1056-F1151 HydrophobicContact CG2-CZ 3.83Å; T1056-R1154 HydrophobicContact CG2-CG 3.87Å; T1056-A1155 HydrophobicContact CG2-CB 3.94Å; T1056-D1158 WeakPolarHBondContact CB-OD2 3.41Å; T1056-D1158 WeakPolarHBondContact CG2-OD2 3.5Å; T1056-D1158 WeakPolarHBondContact OG1-CB 3.48Å; T1056-D1158 VanDerWaalsContact OG1-CG 3.26Å; T1056-D1158 PolarHBondContact OG1-OD2 3.03Å
1057E93.3Very high89.6Confident138 Ų13843 Ų4365%0.64523%0.234SC*.Hα-helixtrans-37.9-56.1-179.9-177-177.4-164.700113.4L1059 L1060 D1061E1057-L1059 VanDerWaalsContact C-N 3.28Å; E1057-L1059 PolarHBondContact O-N 3.01Å; E1057-L1060 PolarHBondContact O-N 2.93Å; E1057-D1061 VanDerWaalsContact O-CB 3.31Å; E1057-D1061 WeakPolarHBondContact O-CB 3.38Å; E1057-D1061 PolarHBondContact O-N 3.42Å
1058G94.2Very high90Very high3 Ų347.8 Ų47.83%0.03126%0.259CS..Hα-helixtrans-65.9-24.9-178.700000115N1020 F1044 T1056 L1062N1020-G1058 WeakPolarHBondContact ND2-CA 3.33Å; F1044-G1058 WeakPolarHBondContact CE2-O 3.46Å; T1056-G1058 VanDerWaalsContact C-N 3.34Å; T1056-G1058 PolarHBondContact O-N 3.5Å; G1058-L1062 WeakPolarHBondContact O-CB 3.34Å; G1058-L1062 PolarHBondContact O-N 3.06Å
1059L95.6Very high90.8Very high1 Ų146.5 Ų46.51%0.00525%0.25CS..Hα-helixtrans-80.9-38.2173.3-177.264.5000111.4W1047 T1056 E1057 L1062 L1063 Y1106 F1151W1047-L1059 HydrophobicContact CZ3-CD2 4.42Å; T1056-L1059 WeakPolarHBondContact O-CA 3.07Å; T1056-L1059 WeakPolarHBondContact O-CB 3.39Å; T1056-L1059 PolarHBondContact O-N 2.15Å; E1057-L1059 VanDerWaalsContact C-N 3.28Å; E1057-L1059 PolarHBondContact O-N 3.01Å; L1059-L1062 HydrophobicContact CD1-CD2 4.14Å; L1059-L1062 WeakPolarHBondContact O-CB 3.49Å; L1059-L1062 PolarHBondContact O-N 3.49Å; L1059-L1063 VanDerWaalsContact O-CB 3.25Å; L1059-L1063 WeakPolarHBondContact O-CB 3.38Å; L1059-L1063 PolarHBondContact O-N 2.93Å; L1059-Y1106 HydrophobicContact CD1-CD2 3.92Å; L1059-F1151 HydrophobicContact CD2-CE1 3.7Å
1060L96.5Very high92.4Very high11 Ų1144.2 Ų44.26%0.05824%0.238CC..Hα-helixtrans-69.7-37.2177.5-64.3179.9000111.8T1056 E1057 L1063 T1064 V1109 D1158 F1159T1056-L1060 PolarHBondContact O-N 2.94Å; E1057-L1060 PolarHBondContact O-N 2.93Å; L1060-L1063 PolarHBondContact O-N 3.06Å; L1060-T1064 WeakPolarHBondContact O-CB 3.42Å; L1060-T1064 PolarHBondContact O-N 3.41Å; L1060-T1064 PolarHBondContact O-OG1 2.83Å; L1060-V1109 HydrophobicContact CD2-CG1 4.42Å; L1060-D1158 HydrophobicContact CD1-CB 4.02Å; L1060-F1159 HydrophobicContact CD1-CB 4.34Å; L1060-F1159 HydrophobicContact CD2-CB 4.09Å; L1060-F1159 HydrophobicContact CD2-CD2 4.48Å
1061D95.6Very high93.9Very high61 Ų6142.2 Ų42.233%0.32623%0.231SC..Hα-helixtrans-63.6-43.2171.6-179.728.4000111.8N1018 F1021 E1057 S1065N1018-D1061 PolarHBondContact ND2-OD2 3.1Å; F1021-D1061 HydrophobicContact CE1-CB 4.37Å; E1057-D1061 VanDerWaalsContact O-CB 3.31Å; E1057-D1061 WeakPolarHBondContact O-CB 3.38Å; E1057-D1061 PolarHBondContact O-N 3.42Å; D1061-S1065 VanDerWaalsContact O-CB 3.25Å; D1061-S1065 WeakPolarHBondContact O-CB 3.38Å; D1061-S1065 PolarHBondContact O-N 3.02Å; D1061-S1065 PolarHBondContact O-OG 3.47Å
1062L97.2Very high94.6Very high0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-60-50.8172.717571.4000111.4V946 F1021 F1042 F1044 G1058 L1059 S1065 V1066 Y1106V946-L1062 HydrophobicContact CG1-CD2 4.24Å; F1021-L1062 HydrophobicContact CB-CD1 4.16Å; F1021-L1062 HydrophobicContact CD1-CB 3.8Å; F1021-L1062 HydrophobicContact CD1-CD1 3.83Å; F1021-L1062 HydrophobicContact CD1-CG 4.42Å; F1021-L1062 HydrophobicContact CD2-CD1 4.13Å; F1021-L1062 HydrophobicContact CE1-CB 3.81Å; F1021-L1062 HydrophobicContact CE1-CD1 4.21Å; F1021-L1062 HydrophobicContact CE2-CD1 4.5Å; F1021-L1062 HydrophobicContact CG-CD1 3.79Å; F1042-L1062 HydrophobicContact CB-CD1 3.86Å; F1042-L1062 HydrophobicContact CD1-CD1 4.07Å; F1042-L1062 HydrophobicContact CG-CD1 4.32Å; F1044-L1062 HydrophobicContact CB-CD2 3.79Å; F1044-L1062 HydrophobicContact CD2-CB 4.42Å; F1044-L1062 HydrophobicContact CD2-CD2 4.02Å; F1044-L1062 HydrophobicContact CG-CD2 3.95Å; G1058-L1062 WeakPolarHBondContact O-CB 3.34Å; G1058-L1062 PolarHBondContact O-N 3.06Å; L1059-L1062 HydrophobicContact CD1-CD2 4.14Å; L1059-L1062 WeakPolarHBondContact O-CB 3.49Å; L1059-L1062 PolarHBondContact O-N 3.49Å; L1062-S1065 PolarHBondContact O-N 3.3Å; L1062-V1066 HydrophobicContact CD1-CG2 4.15Å; L1062-V1066 HydrophobicContact CG-CG2 4.45Å; L1062-V1066 WeakPolarHBondContact O-CB 3.28Å; L1062-V1066 VanDerWaalsContact O-CG2 3.32Å; L1062-V1066 WeakPolarHBondContact O-CG2 3.5Å; L1062-V1066 PolarHBondContact O-N 2.95Å; L1062-Y1106 HydrophobicContact CD2-CD2 4.22Å; L1062-Y1106 HydrophobicContact CD2-CE2 4Å; L1062-Y1106 HydrophobicContact CG-CE2 4.27Å
1063L96.6Very high94.8Very high0 Ų044.6 Ų44.60%023%0.234CC..Hα-helixtrans-60-47-178.9175.2156.1000111.1L1059 L1060 S1065 V1066 Q1067 Y1106 V1109 D1110 T1113L1059-L1063 VanDerWaalsContact O-CB 3.25Å; L1059-L1063 WeakPolarHBondContact O-CB 3.38Å; L1059-L1063 PolarHBondContact O-N 2.93Å; L1060-L1063 PolarHBondContact O-N 3.06Å; L1063-S1065 PolarHBondContact O-N 3.08Å; L1063-V1066 PolarHBondContact O-N 3.06Å; L1063-Q1067 VanDerWaalsContact CD2-NE2 3.35Å; L1063-Q1067 WeakPolarHBondContact O-CB 3.27Å; L1063-Q1067 VanDerWaalsContact O-CG 3.26Å; L1063-Q1067 WeakPolarHBondContact O-CG 3.37Å; L1063-Q1067 PolarHBondContact O-N 3.17Å; L1063-Y1106 HydrophobicContact CB-CE2 4.47Å; L1063-V1109 HydrophobicContact CD1-CB 4.38Å; L1063-V1109 HydrophobicContact CD1-CG1 3.73Å; L1063-D1110 HydrophobicContact CD1-CB 4.33Å; L1063-T1113 HydrophobicContact CD1-CG2 4.44Å
1064T95.8Very high95Very high64 Ų6444.2 Ų44.239%0.39323%0.232SC..Hα-helixtrans-61.3-45.4176.4-55.40000111.2L1060 Q1067 L1068L1060-T1064 WeakPolarHBondContact O-CB 3.42Å; L1060-T1064 PolarHBondContact O-N 3.41Å; L1060-T1064 PolarHBondContact O-OG1 2.83Å; T1064-Q1067 PolarHBondContact O-N 3.27Å; T1064-L1068 HydrophobicContact CG2-CD1 3.96Å; T1064-L1068 HydrophobicContact CG2-CG 4.46Å; T1064-L1068 WeakPolarHBondContact O-CB 3.43Å; T1064-L1068 VanDerWaalsContact O-CG 3.32Å; T1064-L1068 WeakPolarHBondContact O-CG 3.5Å; T1064-L1068 PolarHBondContact O-N 3.22Å
1065S96.8Very high95.4Very high28 Ų2842.2 Ų42.220%0.19622%0.223CC..Hα-helixtrans-64.3-41.5179.1-63.20000112.6D1061 L1062 L1063 T1069D1061-S1065 VanDerWaalsContact O-CB 3.25Å; D1061-S1065 WeakPolarHBondContact O-CB 3.38Å; D1061-S1065 PolarHBondContact O-N 3.02Å; D1061-S1065 PolarHBondContact O-OG 3.47Å; L1062-S1065 PolarHBondContact O-N 3.3Å; L1063-S1065 PolarHBondContact O-N 3.08Å; S1065-T1069 VanDerWaalsContact O-CB 3.27Å; S1065-T1069 WeakPolarHBondContact O-CB 3.23Å; S1065-T1069 PolarHBondContact O-N 2.65Å; S1065-T1069 PolarHBondContact O-OG1 2.88Å
1066V97.8Very high95.4Very high2 Ų245.3 Ų45.31%0.01223%0.23CC..Hα-helixtrans-66.8-45.1175.5169.10000111.1I944 V946 F1042 L1062 L1063 T1069 Y1070 V1092 Y1106I944-V1066 HydrophobicContact CD1-CG1 4.5Å; I944-V1066 HydrophobicContact CG2-CG1 4.26Å; V946-V1066 HydrophobicContact CG2-CG1 4.01Å; V946-V1066 HydrophobicContact CG2-CG2 3.82Å; F1042-V1066 HydrophobicContact CB-CG2 4.27Å; F1042-V1066 HydrophobicContact CD1-CG2 3.95Å; F1042-V1066 HydrophobicContact CD2-CG2 3.8Å; F1042-V1066 HydrophobicContact CE1-CG2 4.22Å; F1042-V1066 HydrophobicContact CE2-CG2 4.07Å; F1042-V1066 HydrophobicContact CG-CG2 3.74Å; F1042-V1066 HydrophobicContact CZ-CG2 4.27Å; L1062-V1066 HydrophobicContact CD1-CG2 4.15Å; L1062-V1066 HydrophobicContact CG-CG2 4.45Å; L1062-V1066 WeakPolarHBondContact O-CB 3.28Å; L1062-V1066 VanDerWaalsContact O-CG2 3.32Å; L1062-V1066 WeakPolarHBondContact O-CG2 3.5Å; L1062-V1066 PolarHBondContact O-N 2.95Å; L1063-V1066 PolarHBondContact O-N 3.06Å; V1066-T1069 PolarHBondContact O-N 3.16Å; V1066-Y1070 VanDerWaalsContact O-CB 3.26Å; V1066-Y1070 WeakPolarHBondContact O-CB 3.35Å; V1066-Y1070 PolarHBondContact O-N 3.27Å; V1066-V1092 HydrophobicContact CG1-CG1 4.38Å; V1066-Y1106 WeakPolarHBondContact CB-OH 3.47Å; V1066-Y1106 VanDerWaalsContact CG1-OH 3.31Å; V1066-Y1106 WeakPolarHBondContact CG1-OH 3.31Å
1067Q95.9Very high95.1Very high39 Ų3948.2 Ų48.218%0.18224%0.244CC..Hα-helixtrans-63.6-45.9-180-73.9177.31.600112.2L1063 T1064 T1069 Y1070 L1071 D1110L1063-Q1067 VanDerWaalsContact CD2-NE2 3.35Å; L1063-Q1067 WeakPolarHBondContact O-CB 3.27Å; L1063-Q1067 VanDerWaalsContact O-CG 3.26Å; L1063-Q1067 WeakPolarHBondContact O-CG 3.37Å; L1063-Q1067 PolarHBondContact O-N 3.17Å; T1064-Q1067 PolarHBondContact O-N 3.27Å; Q1067-T1069 PolarHBondContact O-N 3.47Å; Q1067-Y1070 PolarHBondContact O-N 2.66Å; Q1067-L1071 WeakPolarHBondContact O-CG 3.28Å; Q1067-L1071 PolarHBondContact O-N 3.38Å; Q1067-D1110 PolarHBondContact NE2-OD1 3.46Å
1068L95.8Very high95Very high103 Ų10344.6 Ų44.654%0.53924%0.244SC..Hα-helixtrans-62.7-42.6175.6-70.2173.3000111.7T1064 Y1070 N1072T1064-L1068 HydrophobicContact CG2-CD1 3.96Å; T1064-L1068 HydrophobicContact CG2-CG 4.46Å; T1064-L1068 WeakPolarHBondContact O-CB 3.43Å; T1064-L1068 VanDerWaalsContact O-CG 3.32Å; T1064-L1068 WeakPolarHBondContact O-CG 3.5Å; T1064-L1068 PolarHBondContact O-N 3.22Å; L1068-Y1070 VanDerWaalsContact C-N 3.34Å; L1068-N1072 VanDerWaalsContact O-CG 3.31Å; L1068-N1072 PolarHBondContact O-N 2.91Å; L1068-N1072 PolarHBondContact O-ND2 3.12Å
1069T97Very high94.8Very high19 Ų1945.9 Ų45.912%0.11725%0.248CC..Hα-helixtrans-63.8-41.3175.9-56.30000110.8I944 E1040 F1042 S1065 V1066 Q1067 L1071 N1072 E1073I944-T1069 HydrophobicContact CD1-CG2 3.78Å; I944-T1069 HydrophobicContact CG1-CG2 4.45Å; E1040-T1069 HydrophobicContact CB-CG2 4.06Å; E1040-T1069 HydrophobicContact CG-CG2 3.86Å; F1042-T1069 HydrophobicContact CE2-CG2 4.25Å; F1042-T1069 HydrophobicContact CZ-CG2 4.19Å; S1065-T1069 VanDerWaalsContact O-CB 3.27Å; S1065-T1069 WeakPolarHBondContact O-CB 3.23Å; S1065-T1069 PolarHBondContact O-N 2.65Å; S1065-T1069 PolarHBondContact O-OG1 2.88Å; V1066-T1069 PolarHBondContact O-N 3.16Å; Q1067-T1069 PolarHBondContact O-N 3.47Å; T1069-L1071 PolarHBondContact O-N 2.91Å; T1069-N1072 PolarHBondContact O-N 2.81Å; T1069-E1073 HydrophobicContact CG2-CG 4.35Å; T1069-E1073 WeakPolarHBondContact O-CG 3.49Å; T1069-E1073 PolarHBondContact O-N 3.43Å
1070Y97.1Very high94.4Very high7 Ų756 Ų563%0.02729%0.292CS..Hα-helixtrans-62.3-46.5-179.6-173.6-115.7000112.3Q915 P943 I944 V1066 Q1067 L1068 N1072 E1073 I1074 P1090 V1092Q915-Y1070 PolarHBondContact NE2-OH 3.26Å; P943-Y1070 HydrophobicContact CG-CD2 4.28Å; P943-Y1070 HydrophobicContact CG-CE2 4.17Å; I944-Y1070 HydrophobicContact CD1-CD2 4.19Å; V1066-Y1070 VanDerWaalsContact O-CB 3.26Å; V1066-Y1070 WeakPolarHBondContact O-CB 3.35Å; V1066-Y1070 PolarHBondContact O-N 3.27Å; Q1067-Y1070 PolarHBondContact O-N 2.66Å; L1068-Y1070 VanDerWaalsContact C-N 3.34Å; Y1070-N1072 VanDerWaalsContact C-N 3.32Å; Y1070-N1072 PolarHBondContact O-N 2.9Å; Y1070-E1073 PolarHBondContact O-N 2.82Å; Y1070-I1074 HydrophobicContact CD1-CD1 4.49Å; Y1070-I1074 HydrophobicContact CD2-CG2 4.17Å; Y1070-I1074 HydrophobicContact CE1-CD1 4.2Å; Y1070-I1074 HydrophobicContact CE1-CG2 4.14Å; Y1070-I1074 HydrophobicContact CE2-CG2 3.75Å; Y1070-I1074 WeakPolarHBondContact O-CG2 3.21Å; Y1070-I1074 PolarHBondContact O-N 3.24Å; Y1070-P1090 VanDerWaalsContact CE2-O 3.27Å; Y1070-P1090 WeakPolarHBondContact CE2-O 3.24Å; Y1070-P1090 PolarHBondContact OH-O 2.94Å; Y1070-V1092 HydrophobicContact CD2-CG2 3.46Å; Y1070-V1092 VanDerWaalsContact CD2-CG2 3.46Å; Y1070-V1092 HydrophobicContact CE2-CG2 3.62Å; Y1070-V1092 HydrophobicContact CG-CG2 4.01Å
1071L95.1Very high94Very high72 Ų7257 Ų5738%0.37730%0.3SS..Hα-helixtrans-55.8-46.7174.4-70.8169.8000111.4Q1067 T1069 E1073 I1074 E1075 Y1082Q1067-L1071 WeakPolarHBondContact O-CG 3.28Å; Q1067-L1071 PolarHBondContact O-N 3.38Å; T1069-L1071 PolarHBondContact O-N 2.91Å; L1071-E1073 PolarHBondContact O-N 2.77Å; L1071-I1074 WeakPolarHBondContact O-CG1 3.37Å; L1071-I1074 PolarHBondContact O-N 2.85Å; L1071-E1075 WeakPolarHBondContact O-CB 3.23Å; L1071-E1075 PolarHBondContact O-N 3.2Å; L1071-Y1082 HydrophobicContact CD2-CD1 3.85Å; L1071-Y1082 HydrophobicContact CD2-CE1 4.3Å
1072N95.8Very high93.7Very high87 Ų8755.9 Ų55.947%0.46529%0.292SS..Hα-helixtrans-63.6-38177.5-67.8-40.9000113L1068 T1069 Y1070 K1076L1068-N1072 VanDerWaalsContact O-CG 3.31Å; L1068-N1072 PolarHBondContact O-N 2.91Å; L1068-N1072 PolarHBondContact O-ND2 3.12Å; T1069-N1072 PolarHBondContact O-N 2.81Å; Y1070-N1072 VanDerWaalsContact C-N 3.32Å; Y1070-N1072 PolarHBondContact O-N 2.9Å; N1072-K1076 WeakPolarHBondContact O-CE 3.26Å; N1072-K1076 WeakPolarHBondContact O-CG 3.47Å; N1072-K1076 PolarHBondContact O-N 3.3Å
1073E94.7Very high93.1Very high27 Ų2757 Ų5713%0.12630%0.297CS..Hα-helixtrans-74.2-36.6178.6-62.7-41.3126.200112.9P943 T1069 Y1070 L1071 K1076P943-E1073 HydrophobicContact CB-CB 3.79Å; P943-E1073 HydrophobicContact CB-CG 4.1Å; P943-E1073 HydrophobicContact CG-CB 4.31Å; T1069-E1073 HydrophobicContact CG2-CG 4.35Å; T1069-E1073 WeakPolarHBondContact O-CG 3.49Å; T1069-E1073 PolarHBondContact O-N 3.43Å; Y1070-E1073 PolarHBondContact O-N 2.82Å; L1071-E1073 PolarHBondContact O-N 2.77Å; E1073-K1076 IonicContact OE1-NZ 3.09Å; E1073-K1076 PolarHBondContact OE1-NZ 2.91Å; E1073-K1076 WeakPolarHBondContact OE2-CD 3.5Å; E1073-K1076 WeakPolarHBondContact OE2-CE 3.13Å; E1073-K1076 IonicContact OE2-NZ 3.8Å; E1073-K1076 PolarHBondContact OE2-NZ 3.46Å
1074I93.8Very high91.8Very high2 Ų260.4 Ų60.41%0.0132%0.315CS..Hα-helixtrans-74.3-31.1176.871.9176.1000112Y1070 L1071 K1076 L1077 G1078 Y1079 P1089Y1070-I1074 HydrophobicContact CD1-CD1 4.49Å; Y1070-I1074 HydrophobicContact CD2-CG2 4.17Å; Y1070-I1074 HydrophobicContact CE1-CD1 4.2Å; Y1070-I1074 HydrophobicContact CE1-CG2 4.14Å; Y1070-I1074 HydrophobicContact CE2-CG2 3.75Å; Y1070-I1074 WeakPolarHBondContact O-CG2 3.21Å; Y1070-I1074 PolarHBondContact O-N 3.24Å; L1071-I1074 WeakPolarHBondContact O-CG1 3.37Å; L1071-I1074 PolarHBondContact O-N 2.85Å; I1074-K1076 VanDerWaalsContact C-N 3.34Å; I1074-K1076 PolarHBondContact O-N 3.3Å; I1074-L1077 CarbonylContact O-C 3.43Å; I1074-L1077 WeakPolarHBondContact O-CA 3.27Å; I1074-L1077 WeakPolarHBondContact O-CB 3.42Å; I1074-L1077 PolarHBondContact O-N 3.04Å; I1074-G1078 PolarHBondContact O-N 3.22Å; I1074-Y1079 HydrophobicContact CB-CD2 4.46Å; I1074-Y1079 HydrophobicContact CB-CG 4.43Å; I1074-Y1079 WeakPolarHBondContact O-CB 3.44Å; I1074-Y1079 PolarHBondContact O-N 3.48Å; I1074-P1089 HydrophobicContact CB-CB 4.23Å; I1074-P1089 HydrophobicContact CD1-CB 4.48Å; I1074-P1089 HydrophobicContact CD1-CG 4.14Å; I1074-P1089 HydrophobicContact CG2-CB 3.74Å; I1074-P1089 HydrophobicContact CG2-CG 4.49Å
1075E93.5Very high90.9Very high136 Ų13661.2 Ų61.264%0.63632%0.315SS*.Hα-helixtrans-61.2-41173.1-172.6179.9-157.200111.7L1071 L1077 G1078 Y1079L1071-E1075 WeakPolarHBondContact O-CB 3.23Å; L1071-E1075 PolarHBondContact O-N 3.2Å; E1075-L1077 PolarHBondContact O-N 2.96Å; E1075-L1077 VanDerWaalsContact O-N 3.17Å; E1075-G1078 PolarHBondContact O-N 3.4Å; E1075-Y1079 WeakPolarHBondContact CA-O 3.22Å
1076K92Very high89.9Confident143 Ų14367.3 Ų67.362%0.62234%0.338SS*.Hα-helixtrans-60.7-23.4173.1-65.8169.3-153.3173.60113.3N1072 E1073 I1074N1072-K1076 WeakPolarHBondContact O-CE 3.26Å; N1072-K1076 WeakPolarHBondContact O-CG 3.47Å; N1072-K1076 PolarHBondContact O-N 3.3Å; E1073-K1076 IonicContact OE1-NZ 3.09Å; E1073-K1076 PolarHBondContact OE1-NZ 2.91Å; E1073-K1076 WeakPolarHBondContact OE2-CD 3.5Å; E1073-K1076 WeakPolarHBondContact OE2-CE 3.13Å; E1073-K1076 IonicContact OE2-NZ 3.8Å; E1073-K1076 PolarHBondContact OE2-NZ 3.46Å; I1074-K1076 VanDerWaalsContact C-N 3.34Å; I1074-K1076 PolarHBondContact O-N 3.3Å
1077L87.6Confident89.1Confident69 Ų6968.4 Ų68.436%0.36134%0.344SS..THydrogen-bonded Turntrans-92.62.1175.3-59.7176.4000112.9I1074 E1075 Y1079 P1090I1074-L1077 CarbonylContact O-C 3.43Å; I1074-L1077 WeakPolarHBondContact O-CA 3.27Å; I1074-L1077 WeakPolarHBondContact O-CB 3.42Å; I1074-L1077 PolarHBondContact O-N 3.04Å; E1075-L1077 PolarHBondContact O-N 2.96Å; E1075-L1077 VanDerWaalsContact O-N 3.17Å; L1077-Y1079 HydrophobicContact CB-CD2 4.17Å; L1077-P1090 HydrophobicContact CD1-CG 3.76Å
1078G90.3Very high88.6Confident62 Ų6267.5 Ų67.564%0.63934%0.341SS*.THydrogen-bonded Turntrans94.12.8177.100000115.4I1074 E1075I1074-G1078 PolarHBondContact O-N 3.22Å; E1075-G1078 PolarHBondContact O-N 3.4Å
1079Y90Very high88.4Confident31 Ų3162.6 Ų62.612%0.12232%0.316CS..  trans-81.8126.4177.7-74.3-87.9000111.5W607 I1074 E1075 L1077 Q1085 T1087 P1089W607-Y1079 HydrophobicContact CH2-CE2 4.07Å; W607-Y1079 WeakPolarHBondContact CH2-OH 3.5Å; W607-Y1079 HydrophobicContact CZ2-CE2 4.26Å; I1074-Y1079 HydrophobicContact CB-CD2 4.46Å; I1074-Y1079 HydrophobicContact CB-CG 4.43Å; I1074-Y1079 WeakPolarHBondContact O-CB 3.44Å; I1074-Y1079 PolarHBondContact O-N 3.48Å; E1075-Y1079 WeakPolarHBondContact CA-O 3.22Å; L1077-Y1079 HydrophobicContact CB-CD2 4.17Å; Y1079-Q1085 HydrophobicContact CD1-CG 4.03Å; Y1079-Q1085 HydrophobicContact CE1-CB 4.33Å; Y1079-Q1085 HydrophobicContact CE1-CG 4.07Å; Y1079-T1087 VanDerWaalsContact CE1-O 3.24Å; Y1079-T1087 WeakPolarHBondContact CE1-O 3.32Å; Y1079-T1087 PolarHBondContact OH-O 2.89Å; Y1079-P1089 HydrophobicContact CD1-CB 4.18Å; Y1079-P1089 HydrophobicContact CD1-CG 3.77Å; Y1079-P1089 HydrophobicContact CD2-CB 4.15Å; Y1079-P1089 HydrophobicContact CE1-CB 4.22Å; Y1079-P1089 HydrophobicContact CE1-CG 3.98Å; Y1079-P1089 HydrophobicContact CE2-CB 4.2Å; Y1079-P1089 HydrophobicContact CG-CB 4.15Å; Y1079-P1089 HydrophobicContact CG-CG 4.09Å
1080K87.5Confident88.3Confident212 Ų21261.7 Ų61.792%0.92231%0.31SS*.SBendtrans-86.1-19175.6-62.6-178.4-178.4177.30113.8
1081S88.8Confident88.2Confident34 Ų3461.3 Ų61.324%0.23831%0.309CS..  trans-152.6162177.1-176.70000108.5E1083S1081-E1083 PolarHBondContact OG-N 3.31Å
1082Y88.4Confident88.4Confident36 Ų3658.2 Ų58.214%0.14129%0.293CS..SBendtrans-84.8-12.717159.2-86000113Q915 L1071 K1114Q915-Y1082 HydrophobicContact CB-CD2 4.13Å; Q915-Y1082 WeakPolarHBondContact CG-O 3.48Å; L1071-Y1082 HydrophobicContact CD2-CD1 3.85Å; L1071-Y1082 HydrophobicContact CD2-CE1 4.3Å; Y1082-K1114 HydrophobicContact CE2-CD 4.18Å
1083E84.1Confident88.5Confident25 Ų2554 Ų5412%0.11727%0.271CS..SBendtrans-96.1150.3-168.2-54.1177155.600113.8R914 S1081 Q1085 R1120R914-E1083 HydrophobicContact CB-CB 4.1Å; R914-E1083 HydrophobicContact CB-CG 4.01Å; R914-E1083 WeakPolarHBondContact O-CA 3.44Å; S1081-E1083 PolarHBondContact OG-N 3.31Å; E1083-Q1085 WeakPolarHBondContact O-CG 3.38Å; E1083-Q1085 PolarHBondContact O-N 3.49Å; E1083-Q1085 VanDerWaalsContact O-N 3.08Å; E1083-Q1085 PolarHBondContact O-NE2 2.87Å; E1083-R1120 IonicContact OE1-CZ 2.73Å; E1083-R1120 IonicContact OE1-NH2 2.73Å; E1083-R1120 PolarHBondContact OE1-NH2 2.77Å; E1083-R1120 IonicContact OE2-CZ 3.37Å; E1083-R1120 VanDerWaalsContact OE2-CZ 3.25Å; E1083-R1120 IonicContact OE2-NH1 3.44Å; E1083-R1120 PolarHBondContact OE2-NH1 2.83Å; E1083-R1120 IonicContact OE2-NH2 3.75Å; E1083-R1120 PolarHBondContact OE2-NH2 2.81Å
1084D70.2Confident88.7Confident70 Ų7052.8 Ų52.837%0.37427%0.265SS..SBendtrans51.539.2161.6-55.1-25.4000114.2Q619 R914 R1120Q619-D1084 PolarHBondContact NE2-OD1 3.19Å; R914-D1084 IonicContact CZ-OD1 2.67Å; R914-D1084 IonicContact CZ-OD2 2.98Å; R914-D1084 VanDerWaalsContact CZ-OD2 3.28Å; R914-D1084 IonicContact NE-OD1 3.64Å; R914-D1084 IonicContact NE-OD2 3.93Å; R914-D1084 PolarHBondContact NE-OD2 3Å; R914-D1084 IonicContact NH2-OD1 2.67Å; R914-D1084 IonicContact NH2-OD2 2.91Å; R914-D1084 PolarHBondContact NH2-OD2 3.45Å; R914-D1084 PolarHBondContact O-N 3.01Å; D1084-R1120 IonicContact OD2-NH1 3.69Å
1085Q76Confident88.9Confident82 Ų8252.7 Ų52.738%0.38326%0.264SS..  trans-100.2131179-58.7-55.9-69.700111.9Y1079 E1083 T1087Y1079-Q1085 HydrophobicContact CD1-CG 4.03Å; Y1079-Q1085 HydrophobicContact CE1-CB 4.33Å; Y1079-Q1085 HydrophobicContact CE1-CG 4.07Å; E1083-Q1085 WeakPolarHBondContact O-CG 3.38Å; E1083-Q1085 PolarHBondContact O-N 3.49Å; E1083-Q1085 VanDerWaalsContact O-N 3.08Å; E1083-Q1085 PolarHBondContact O-NE2 2.87Å; Q1085-T1087 PolarHBondContact O-N 3.43Å
1086K75.7Confident89Confident156 Ų15646.5 Ų46.568%0.67824%0.236SC*.SBendtrans-49.1-24.1170.1177.3177.9175.2177.30113.9D602D602-K1086 IonicContact OD1-NZ 2.76Å; D602-K1086 PolarHBondContact OD1-NZ 2.9Å
1087T82.5Confident89.1Confident25 Ų2540.2 Ų40.215%0.15321%0.21CC..SBendtrans-137.5105.4166-63.90000108.3I604 A608 Y1079 Q1085I604-T1087 HydrophobicContact CG2-CG2 4.43Å; A608-T1087 HydrophobicContact CB-CG2 3.46Å; A608-T1087 VanDerWaalsContact CB-CG2 3.46Å; Y1079-T1087 VanDerWaalsContact CE1-O 3.24Å; Y1079-T1087 WeakPolarHBondContact CE1-O 3.32Å; Y1079-T1087 PolarHBondContact OH-O 2.89Å; Q1085-T1087 PolarHBondContact O-N 3.43Å
1088P85Confident89.4Confident19 Ų1937 Ų3712%0.12319%0.193CC..PPolyproline II helixtrans-55.8149.8-178.3-25.231.4000113K916K916-P1088 HydrophobicContact CB-CG 3.87Å; K916-P1088 WeakPolarHBondContact O-CB 3.4Å
1089P91.6Very high89.6Confident0 Ų034 Ų340%016%0.163CC..PPolyproline II helixtrans-62169.8176.9-7.915.6000113.2R611 I1074 Y1079R611-P1089 PolarHBondContact NH1-O 3Å; I1074-P1089 HydrophobicContact CB-CB 4.23Å; I1074-P1089 HydrophobicContact CD1-CB 4.48Å; I1074-P1089 HydrophobicContact CD1-CG 4.14Å; I1074-P1089 HydrophobicContact CG2-CB 3.74Å; I1074-P1089 HydrophobicContact CG2-CG 4.49Å; Y1079-P1089 HydrophobicContact CD1-CB 4.18Å; Y1079-P1089 HydrophobicContact CD1-CG 3.77Å; Y1079-P1089 HydrophobicContact CD2-CB 4.15Å; Y1079-P1089 HydrophobicContact CE1-CB 4.22Å; Y1079-P1089 HydrophobicContact CE1-CG 3.98Å; Y1079-P1089 HydrophobicContact CE2-CB 4.2Å; Y1079-P1089 HydrophobicContact CG-CB 4.15Å; Y1079-P1089 HydrophobicContact CG-CG 4.09Å
1090P94Very high89.9Confident0 Ų033 Ų330%016%0.159CC..PPolyproline II helixtrans-59145.6172.9-2637.8000113.2W607 H941 Y1070 L1077W607-P1090 HydrophobicContact CD2-CG 4.28Å; W607-P1090 HydrophobicContact CE3-CG 4.13Å; W607-P1090 VanDerWaalsContact CH2-CD 3.48Å; W607-P1090 HydrophobicContact CH2-CG 3.66Å; W607-P1090 HydrophobicContact CZ2-CG 3.8Å; W607-P1090 HydrophobicContact CZ3-CG 3.83Å; H941-P1090 HydrophobicContact CB-CG 4.38Å; H941-P1090 WeakPolarHBondContact O-CB 3.32Å; Y1070-P1090 VanDerWaalsContact CE2-O 3.27Å; Y1070-P1090 WeakPolarHBondContact CE2-O 3.24Å; Y1070-P1090 PolarHBondContact OH-O 2.94Å; L1077-P1090 HydrophobicContact CD1-CG 3.76Å
1091P95.9Very high90.2Very high0 Ų023 Ų230%012%0.116CC..PPolyproline II helixtrans-80.3158-170.835.9-39.5000112.6R611 W909 N917 A918 I920R611-P1091 VanDerWaalsContact NH2-CD 3.31Å; W909-P1091 HydrophobicContact CH2-CG 4.47Å; W909-P1091 HydrophobicContact CZ3-CB 4.11Å; W909-P1091 HydrophobicContact CZ3-CG 3.89Å; N917-P1091 WeakPolarHBondContact O-CB 3.48Å; A918-P1091 WeakPolarHBondContact O-CA 3.41Å; I920-P1091 HydrophobicContact CD1-CB 4.42Å; I920-P1091 HydrophobicContact CD1-CG 3.67Å; I920-P1091 HydrophobicContact CG1-CB 4.1Å; I920-P1091 HydrophobicContact CG1-CG 3.91Å
1092V98.2Very high90.6Very high6 Ų622.3 Ų22.34%0.03611%0.108CC..EExtended strand (participates in β ladder)trans-84.8126.8162.5-179.10000109.1A918 F919 I920 I944 V946 V1066 Y1070 V1094A918-V1092 PolarHBondContact O-N 2.99Å; F919-V1092 VanDerWaalsContact CA-O 3.26Å; F919-V1092 WeakPolarHBondContact CA-O 3.34Å; F919-V1092 HydrophobicContact CD1-CB 4.11Å; F919-V1092 HydrophobicContact CE1-CB 4.47Å; I920-V1092 PolarHBondContact N-O 2.97Å; I944-V1092 HydrophobicContact CB-CG1 4.21Å; I944-V1092 HydrophobicContact CB-CG2 4.42Å; I944-V1092 HydrophobicContact CG2-CG1 4.05Å; V946-V1092 HydrophobicContact CG2-CG1 3.69Å; V1066-V1092 HydrophobicContact CG1-CG1 4.38Å; Y1070-V1092 HydrophobicContact CD2-CG2 3.46Å; Y1070-V1092 VanDerWaalsContact CD2-CG2 3.46Å; Y1070-V1092 HydrophobicContact CE2-CG2 3.62Å; Y1070-V1092 HydrophobicContact CG-CG2 4.01Å; V1092-V1094 HydrophobicContact CG1-CG2 4.06Å
1093V98.7Very high91.1Very high0 Ų020.6 Ų20.60%010%0.102CC..EExtended strand (participates in β ladder)trans-89.5113.6178.9178.10000109I920 T922 F933 M936 I937 C942 I944 I945 V946I920-V1093 HydrophobicContact CB-CG2 4.19Å; I920-V1093 HydrophobicContact CD1-CG2 4.41Å; T922-V1093 HydrophobicContact CG2-CG1 3.88Å; F933-V1093 HydrophobicContact CE2-CG1 4.06Å; F933-V1093 HydrophobicContact CZ-CG1 4.42Å; M936-V1093 HydrophobicContact CE-CG1 3.93Å; M936-V1093 HydrophobicContact CE-CG2 4.36Å; I937-V1093 HydrophobicContact CD1-CB 4.18Å; I937-V1093 HydrophobicContact CD1-CG1 4.19Å; I937-V1093 HydrophobicContact CD1-CG2 3.71Å; C942-V1093 HydrophobicContact CB-CG2 3.64Å; C942-V1093 VanDerWaalsContact SG-CG2 3.59Å; I944-V1093 PolarHBondContact O-N 2.96Å; I945-V1093 CarbonylContact C-O 3.5Å; I945-V1093 WeakPolarHBondContact CA-O 3.37Å; I945-V1093 HydrophobicContact CG1-CB 4.36Å; V946-V1093 PolarHBondContact N-O 2.83Å
1094V98.6Very high91.7Very high0 Ų019.4 Ų19.40%010%0.096CC..EExtended strand (participates in β ladder)trans-111.8125.9-177.5-169.20000109.8F919 I920 C921 T922 V946 I948 V1092 T1103 Y1106 V1107F919-V1094 HydrophobicContact CD1-CG2 3.83Å; F919-V1094 HydrophobicContact CE1-CG2 4.48Å; I920-V1094 PolarHBondContact O-N 3.46Å; C921-V1094 WeakPolarHBondContact CA-O 3.41Å; T922-V1094 PolarHBondContact N-O 3.09Å; T922-V1094 VanDerWaalsContact N-O 3.15Å; V946-V1094 HydrophobicContact CB-CG1 4.38Å; V946-V1094 HydrophobicContact CB-CG2 4.4Å; I948-V1094 HydrophobicContact CD1-CG1 4.04Å; V1092-V1094 HydrophobicContact CG1-CG2 4.06Å; V1094-T1103 HydrophobicContact CB-CG2 4.16Å; V1094-T1103 HydrophobicContact CG1-CG2 3.91Å; V1094-Y1106 HydrophobicContact CG1-CD1 3.88Å; V1094-Y1106 HydrophobicContact CG1-CG 4.36Å; V1094-Y1106 HydrophobicContact CG2-CD1 4.15Å; V1094-Y1106 HydrophobicContact CG2-CE1 4.13Å; V1094-V1107 HydrophobicContact CG2-CG2 4.39Å
1095H98.2Very high93Very high0 Ų016 Ų160%08%0.078CC..EExtended strand (participates in β ladder)trans-139.3154.117888.785.9000113.1T922 V946 M947 I948 Y962T922-H1095 HydrophobicContact CG2-CB 3.72Å; T922-H1095 WeakPolarHBondContact O-CA 3.36Å; T922-H1095 WeakPolarHBondContact O-CB 3.37Å; V946-H1095 PolarHBondContact O-N 3.34Å; M947-H1095 WeakPolarHBondContact CB-NE2 3.18Å; M947-H1095 VanDerWaalsContact CG-CE1 3.44Å; M947-H1095 WeakPolarHBondContact CG-CE1 3.38Å; M947-H1095 WeakPolarHBondContact CG-NE2 3.3Å; M947-H1095 VanDerWaalsContact SD-CE1 3.55Å; I948-H1095 PolarHBondContact N-O 2.85Å; Y962-H1095 AromaticContact CE1-CE1 3.88Å; Y962-H1095 AromaticContact CE1-NE2 3.4Å; Y962-H1095 WeakPolarHBondContact CE1-NE2 3.44Å; Y962-H1095 AromaticContact CZ-NE2 3.49Å; Y962-H1095 PolarHBondContact OH-CD2 2.87Å; Y962-H1095 PolarHBondContact OH-NE2 3.4Å
1096C94.9Very high94.1Very high6 Ų612.2 Ų12.24%0.0416%0.06CC..SBendtrans-128-130.3164.162.60000107.8G924 G1099 R1102 T1103G924-C1096 VanDerWaalsContact CA-O 3.22Å; G924-C1096 WeakPolarHBondContact CA-O 3.38Å; G924-C1096 PolarHBondContact N-O 2.78Å; G924-C1096 VanDerWaalsContact N-O 3.11Å; C1096-G1099 PolarHBondContact SG-N 3.3Å; C1096-G1099 VanDerWaalsContact SG-N 3.43Å; C1096-R1102 HydrophobicContact CB-CB 4.07Å; C1096-T1103 PolarHBondContact N-OG1 3.03Å; C1096-T1103 PolarHBondContact SG-OG1 3.23Å
1097S94Very high95.1Very high11 Ų114.8 Ų4.88%0.0773%0.028CC..SBendtrans-78.7-54170.4-160.90000111.8R838 Y839 G924 K958R838-S1097 WeakPolarHBondContact CD-O 3.32Å; Y839-S1097 PolarHBondContact OH-OG 3.48Å; G924-S1097 PolarHBondContact N-O 2.77Å; K958-S1097 VanDerWaalsContact CA-OG 3.3Å; K958-S1097 WeakPolarHBondContact CA-OG 3.48Å; K958-S1097 WeakPolarHBondContact CB-OG 3.35Å; K958-S1097 WeakPolarHBondContact CD-OG 3.5Å; K958-S1097 PolarHBondContact O-OG 2.77Å
1098A94Very high95.9Very high2 Ų23.6 Ų3.62%0.0172%0.02CC..SBendtrans-100.1-16-176.900000113.7Y839 V842 I1100 R1139Y839-A1098 HydrophobicContact CD2-CB 3.8Å; Y839-A1098 HydrophobicContact CE2-CB 3.84Å; V842-A1098 HydrophobicContact CG1-CB 4.32Å; V842-A1098 HydrophobicContact CG2-CB 3.95Å; A1098-I1100 HydrophobicContact CB-CD1 4.38Å; A1098-I1100 HydrophobicContact CB-CG1 3.97Å; A1098-R1139 PolarHBondContact O-NH2 3.01Å
1099G95.8Very high96.5Very high0 Ų02.7 Ų2.70%02%0.015CC..SBendtrans72.330.5-17300000113.8T922 C1096 T1103 R1139T922-G1099 WeakPolarHBondContact O-CA 3.07Å; C1096-G1099 PolarHBondContact SG-N 3.3Å; C1096-G1099 VanDerWaalsContact SG-N 3.43Å; G1099-T1103 WeakPolarHBondContact CA-OG1 3.42Å; G1099-R1139 PolarHBondContact O-NE 3.48Å
1100I95.9Very high96.8Very high9 Ų92.8 Ų2.85%0.0462%0.015CC..SBendtrans-132.1-56.8-178.973.3178.8000113V842 A1098 G1104 R1139 F1140 C1142 V1143 Q1144V842-I1100 HydrophobicContact CG1-CD1 4.15Å; V842-I1100 HydrophobicContact CG1-CG2 3.7Å; V842-I1100 HydrophobicContact CG2-CD1 3.99Å; A1098-I1100 HydrophobicContact CB-CD1 4.38Å; A1098-I1100 HydrophobicContact CB-CG1 3.97Å; I1100-G1104 WeakPolarHBondContact O-CA 3.24Å; I1100-G1104 PolarHBondContact O-N 2.81Å; I1100-R1139 HydrophobicContact CG2-CG 4.37Å; I1100-F1140 WeakPolarHBondContact CG2-O 3.4Å; I1100-C1142 WeakPolarHBondContact O-CA 3.27Å; I1100-V1143 PolarHBondContact O-N 2.83Å; I1100-V1143 VanDerWaalsContact O-N 3.09Å; I1100-Q1144 HydrophobicContact CD1-CG 4.42Å; I1100-Q1144 HydrophobicContact CG1-CB 4.5Å
1101G94.7Very high97Very high1 Ų12.8 Ų2.81%0.012%0.015CC..Hα-helixtrans-68.1-86.7-173.100000113.6T1103 G1104 T1105 Q1148G1101-T1103 PolarHBondContact O-N 3.05Å; G1101-T1103 VanDerWaalsContact O-N 3.1Å; G1101-G1104 PolarHBondContact O-N 2.67Å; G1101-G1104 VanDerWaalsContact O-N 3.09Å; G1101-T1105 PolarHBondContact O-N 3.14Å; G1101-T1105 PolarHBondContact O-OG1 3.4Å; G1101-Q1148 VanDerWaalsContact C-OE1 3.29Å
1102R96.6Very high97Very high20 Ų202.8 Ų2.88%0.0752%0.015CC..Hα-helixtrans-56.3-28.4176.9-53.4-176.8179.8141.60.2113.3I948 T949 E953 W1047 P1048 C1096 Y1106I948-R1102 HydrophobicContact CB-CB 4.38Å; I948-R1102 HydrophobicContact CG2-CB 4Å; I948-R1102 WeakPolarHBondContact O-CD 3.5Å; I948-R1102 PolarHBondContact O-NH1 2.89Å; T949-R1102 PolarHBondContact OG1-NH1 2.95Å; E953-R1102 IonicContact OE1-CZ 2.78Å; E953-R1102 IonicContact OE1-NH1 2.69Å; E953-R1102 PolarHBondContact OE1-NH1 2.91Å; E953-R1102 IonicContact OE1-NH2 2.69Å; E953-R1102 PolarHBondContact OE1-NH2 3.17Å; E953-R1102 IonicContact OE2-CZ 3.16Å; E953-R1102 IonicContact OE2-NH1 3.87Å; E953-R1102 PolarHBondContact OE2-NH1 3.09Å; E953-R1102 IonicContact OE2-NH2 3.19Å; E953-R1102 PolarHBondContact OE2-NH2 3.16Å; W1047-R1102 HydrophobicContact CD2-CB 4.27Å; W1047-R1102 VanDerWaalsContact CD2-CD 3.45Å; W1047-R1102 HydrophobicContact CD2-CG 3.74Å; W1047-R1102 HydrophobicContact CE3-CB 4.12Å; W1047-R1102 HydrophobicContact CE3-CG 4.12Å; W1047-R1102 HydrophobicContact CG-CG 4.25Å; W1047-R1102 HydrophobicContact CH2-CB 3.99Å; W1047-R1102 HydrophobicContact CH2-CG 4.11Å; W1047-R1102 HydrophobicContact CZ2-CB 4.13Å; W1047-R1102 HydrophobicContact CZ2-CG 3.72Å; W1047-R1102 HydrophobicContact CZ3-CB 3.99Å; W1047-R1102 HydrophobicContact CZ3-CG 4.3Å; P1048-R1102 PolarHBondContact O-NH2 3.42Å; C1096-R1102 HydrophobicContact CB-CB 4.07Å; R1102-Y1106 WeakPolarHBondContact O-CB 3.43Å; R1102-Y1106 PolarHBondContact O-N 2.86Å
1103T97.9Very high96.9Very high0 Ų02.5 Ų2.50%01%0.014CC..Hα-helixtrans-67.5-50.5175.5-62.80000111.4C921 V1094 C1096 G1099 G1101 T1105 Y1106 V1107C921-T1103 HydrophobicContact CB-CG2 3.95Å; V1094-T1103 HydrophobicContact CB-CG2 4.16Å; V1094-T1103 HydrophobicContact CG1-CG2 3.91Å; C1096-T1103 PolarHBondContact N-OG1 3.03Å; C1096-T1103 PolarHBondContact SG-OG1 3.23Å; G1099-T1103 WeakPolarHBondContact CA-OG1 3.42Å; G1101-T1103 PolarHBondContact O-N 3.05Å; G1101-T1103 VanDerWaalsContact O-N 3.1Å; T1103-T1105 VanDerWaalsContact C-N 3.35Å; T1103-T1105 PolarHBondContact O-N 3.11Å; T1103-Y1106 PolarHBondContact O-N 2.96Å; T1103-V1107 WeakPolarHBondContact O-CG2 3.46Å; T1103-V1107 PolarHBondContact O-N 3.07Å
1104G97.4Very high96.8Very high0 Ų03.5 Ų3.50%02%0.018CC..Hα-helixtrans-63.9-39176.500000112.2I1100 G1101 V1107 T1108I1100-G1104 WeakPolarHBondContact O-CA 3.24Å; I1100-G1104 PolarHBondContact O-N 2.81Å; G1101-G1104 PolarHBondContact O-N 2.67Å; G1101-G1104 VanDerWaalsContact O-N 3.09Å; G1104-V1107 PolarHBondContact O-N 3.49Å; G1104-T1108 VanDerWaalsContact O-CB 3.3Å; G1104-T1108 WeakPolarHBondContact O-CB 3.21Å; G1104-T1108 PolarHBondContact O-N 3.26Å; G1104-T1108 PolarHBondContact O-OG1 3.39Å
1105T97.8Very high96.5Very high0 Ų03.6 Ų3.60%02%0.018CC..Hα-helixtrans-60.3-47.4173.3-54.40000111.8W1047 G1101 T1103 T1108 V1109 F1151W1047-T1105 HydrophobicContact CH2-CG2 3.79Å; G1101-T1105 PolarHBondContact O-N 3.14Å; G1101-T1105 PolarHBondContact O-OG1 3.4Å; T1103-T1105 VanDerWaalsContact C-N 3.35Å; T1103-T1105 PolarHBondContact O-N 3.11Å; T1105-T1108 PolarHBondContact O-N 2.83Å; T1105-V1109 VanDerWaalsContact O-CG2 3.29Å; T1105-V1109 WeakPolarHBondContact O-CG2 3.49Å; T1105-V1109 PolarHBondContact O-N 3.25Å; T1105-F1151 HydrophobicContact CG2-CD1 4.04Å
1106Y98.2Very high96.4Very high1 Ų13.6 Ų3.60%0.0042%0.018CC..Hα-helixtrans-59.7-48.6176.1176-83.6000112.1V946 I948 L1059 L1062 L1063 V1066 V1094 R1102 T1103 V1109 D1110V946-Y1106 HydrophobicContact CG1-CE2 4.17Å; I948-Y1106 HydrophobicContact CD1-CD1 4.34Å; I948-Y1106 HydrophobicContact CD1-CD2 3.52Å; I948-Y1106 HydrophobicContact CD1-CE2 4.46Å; I948-Y1106 HydrophobicContact CD1-CG 3.46Å; I948-Y1106 VanDerWaalsContact CD1-CG 3.46Å; L1059-Y1106 HydrophobicContact CD1-CD2 3.92Å; L1062-Y1106 HydrophobicContact CD2-CD2 4.22Å; L1062-Y1106 HydrophobicContact CD2-CE2 4Å; L1062-Y1106 HydrophobicContact CG-CE2 4.27Å; L1063-Y1106 HydrophobicContact CB-CE2 4.47Å; V1066-Y1106 WeakPolarHBondContact CB-OH 3.47Å; V1066-Y1106 VanDerWaalsContact CG1-OH 3.31Å; V1066-Y1106 WeakPolarHBondContact CG1-OH 3.31Å; V1094-Y1106 HydrophobicContact CG1-CD1 3.88Å; V1094-Y1106 HydrophobicContact CG1-CG 4.36Å; V1094-Y1106 HydrophobicContact CG2-CD1 4.15Å; V1094-Y1106 HydrophobicContact CG2-CE1 4.13Å; R1102-Y1106 WeakPolarHBondContact O-CB 3.43Å; R1102-Y1106 PolarHBondContact O-N 2.86Å; T1103-Y1106 PolarHBondContact O-N 2.96Å; Y1106-V1109 PolarHBondContact O-N 3.47Å; Y1106-D1110 HydrophobicContact CE1-CB 4.46Å; Y1106-D1110 PolarHBondContact O-N 2.95Å
1107V98.4Very high96.3Very high0 Ų06.7 Ų6.70%04%0.044CC..Hα-helixtrans-64.7-41.8-178.5168.10000111.7V910 F919 V1094 T1103 G1104 V1109 D1110 I1111 V1135V910-V1107 HydrophobicContact CG1-CG1 4.09Å; F919-V1107 HydrophobicContact CD1-CG2 4.21Å; F919-V1107 HydrophobicContact CD2-CG1 3.74Å; F919-V1107 HydrophobicContact CD2-CG2 4.08Å; F919-V1107 HydrophobicContact CE1-CG2 4.45Å; F919-V1107 HydrophobicContact CE2-CB 4.48Å; F919-V1107 HydrophobicContact CE2-CG1 3.71Å; F919-V1107 HydrophobicContact CE2-CG2 4.32Å; F919-V1107 HydrophobicContact CG-CG1 4.49Å; F919-V1107 HydrophobicContact CG-CG2 4.02Å; F919-V1107 HydrophobicContact CZ-CG1 4.44Å; F919-V1107 HydrophobicContact CZ-CG2 4.48Å; V1094-V1107 HydrophobicContact CG2-CG2 4.39Å; T1103-V1107 WeakPolarHBondContact O-CG2 3.46Å; T1103-V1107 PolarHBondContact O-N 3.07Å; G1104-V1107 PolarHBondContact O-N 3.49Å; V1107-V1109 PolarHBondContact O-N 2.85Å; V1107-D1110 PolarHBondContact O-N 3.12Å; V1107-I1111 HydrophobicContact CG1-CD1 3.75Å; V1107-I1111 HydrophobicContact CG1-CG1 4.49Å; V1107-I1111 WeakPolarHBondContact O-CD1 3.41Å; V1107-I1111 VanDerWaalsContact O-CG1 3.25Å; V1107-I1111 WeakPolarHBondContact O-CG1 3.36Å; V1107-I1111 PolarHBondContact O-N 2.92Å; V1107-V1135 HydrophobicContact CG1-CG1 4.25Å; V1107-V1135 HydrophobicContact CG1-CG2 3.99Å
1108T98.2Very high96.1Very high0 Ų06.9 Ų6.90%04%0.044CC..Hα-helixtrans-60.1-46.1175.3-58.10000111.1G1104 T1105 I1111 C1112 I1128 T1131 V1132 C1152G1104-T1108 VanDerWaalsContact O-CB 3.3Å; G1104-T1108 WeakPolarHBondContact O-CB 3.21Å; G1104-T1108 PolarHBondContact O-N 3.26Å; G1104-T1108 PolarHBondContact O-OG1 3.39Å; T1105-T1108 PolarHBondContact O-N 2.83Å; T1108-I1111 PolarHBondContact O-N 3.37Å; T1108-C1112 WeakPolarHBondContact O-CB 3.17Å; T1108-C1112 PolarHBondContact O-N 3.44Å; T1108-C1112 PolarHBondContact O-SG 3.06Å; T1108-C1112 VanDerWaalsContact O-SG 3.35Å; T1108-I1128 HydrophobicContact CG2-CG2 4.49Å; T1108-T1131 HydrophobicContact CG2-CG2 4.06Å; T1108-V1132 HydrophobicContact CG2-CG2 3.6Å; T1108-C1152 HydrophobicContact CG2-CB 4.39Å
1109V98.1Very high95.8Very high0 Ų012 Ų120%08%0.08CC..Hα-helixtrans-68.9-38.4179.6178.70000111.1L1060 L1063 T1105 Y1106 V1107 C1112 T1113 C1152 A1155 I1156L1060-V1109 HydrophobicContact CD2-CG1 4.42Å; L1063-V1109 HydrophobicContact CD1-CB 4.38Å; L1063-V1109 HydrophobicContact CD1-CG1 3.73Å; T1105-V1109 VanDerWaalsContact O-CG2 3.29Å; T1105-V1109 WeakPolarHBondContact O-CG2 3.49Å; T1105-V1109 PolarHBondContact O-N 3.25Å; Y1106-V1109 PolarHBondContact O-N 3.47Å; V1107-V1109 PolarHBondContact O-N 2.85Å; V1109-C1112 PolarHBondContact O-N 3.27Å; V1109-T1113 HydrophobicContact CG1-CG2 3.89Å; V1109-T1113 VanDerWaalsContact O-CB 3.3Å; V1109-T1113 WeakPolarHBondContact O-CB 3.42Å; V1109-T1113 WeakPolarHBondContact O-CG2 3.44Å; V1109-T1113 PolarHBondContact O-N 3.03Å; V1109-T1113 PolarHBondContact O-OG1 3.19Å; V1109-C1152 HydrophobicContact CG2-CB 4.37Å; V1109-A1155 HydrophobicContact CG1-CB 4.08Å; V1109-A1155 HydrophobicContact CG2-CB 3.99Å; V1109-I1156 HydrophobicContact CG1-CG1 4.44Å; V1109-I1156 HydrophobicContact CG2-CG1 4.4Å
1110D98.1Very high95.4Very high2 Ų217.3 Ų17.31%0.01110%0.1CC..Hα-helixtrans-60.1-45.6173.5-176.898.7000112.2F919 L1063 Q1067 Y1106 V1107 T1113 K1114F919-D1110 HydrophobicContact CZ-CB 4.2Å; F919-D1110 WeakPolarHBondContact CZ-OD2 3.47Å; L1063-D1110 HydrophobicContact CD1-CB 4.33Å; Q1067-D1110 PolarHBondContact NE2-OD1 3.46Å; Y1106-D1110 HydrophobicContact CE1-CB 4.46Å; Y1106-D1110 PolarHBondContact O-N 2.95Å; V1107-D1110 PolarHBondContact O-N 3.12Å; D1110-T1113 PolarHBondContact O-OG1 3.49Å; D1110-K1114 WeakPolarHBondContact O-CB 3.5Å; D1110-K1114 WeakPolarHBondContact O-CG 3.44Å; D1110-K1114 PolarHBondContact O-N 3.03Å; D1110-K1114 VanDerWaalsContact O-N 3.1Å; D1110-K1114 IonicContact OD1-NZ 2.88Å; D1110-K1114 PolarHBondContact OD1-NZ 2.88Å; D1110-K1114 WeakPolarHBondContact OD2-CD 3.42Å; D1110-K1114 VanDerWaalsContact OD2-CE 3.23Å; D1110-K1114 WeakPolarHBondContact OD2-CE 3.39Å; D1110-K1114 IonicContact OD2-NZ 2.75Å; D1110-K1114 PolarHBondContact OD2-NZ 3.2Å
1111I97Very high95.1Very high0 Ų017.3 Ų17.30%010%0.1CC..Hα-helixtrans-61.4-52.2176.9-67.1164000110.8H618 F919 V1107 T1108 T1113 W1115 T1131 V1135H618-I1111 HydrophobicContact CB-CG2 4.34Å; F919-I1111 HydrophobicContact CE2-CG1 4.4Å; V1107-I1111 HydrophobicContact CG1-CD1 3.75Å; V1107-I1111 HydrophobicContact CG1-CG1 4.49Å; V1107-I1111 WeakPolarHBondContact O-CD1 3.41Å; V1107-I1111 VanDerWaalsContact O-CG1 3.25Å; V1107-I1111 WeakPolarHBondContact O-CG1 3.36Å; V1107-I1111 PolarHBondContact O-N 2.92Å; T1108-I1111 PolarHBondContact O-N 3.37Å; I1111-T1113 PolarHBondContact O-N 3Å; I1111-W1115 HydrophobicContact CG2-CE3 4.4Å; I1111-W1115 WeakPolarHBondContact O-CB 3.21Å; I1111-W1115 PolarHBondContact O-N 3.1Å; I1111-T1131 HydrophobicContact CB-CG2 4.07Å; I1111-T1131 HydrophobicContact CD1-CG2 4.21Å; I1111-T1131 HydrophobicContact CG2-CG2 3.75Å; I1111-V1135 HydrophobicContact CD1-CG2 3.76Å
1112C97.1Very high94.7Very high0 Ų023 Ų230%014%0.135CC..Hα-helixtrans-67.6-36.5-177-66.70000113T1108 V1109 W1115 L1116 I1126 I1156T1108-C1112 WeakPolarHBondContact O-CB 3.17Å; T1108-C1112 PolarHBondContact O-N 3.44Å; T1108-C1112 PolarHBondContact O-SG 3.06Å; T1108-C1112 VanDerWaalsContact O-SG 3.35Å; V1109-C1112 PolarHBondContact O-N 3.27Å; C1112-W1115 PolarHBondContact O-N 3.08Å; C1112-L1116 WeakPolarHBondContact O-CB 3.49Å; C1112-L1116 WeakPolarHBondContact O-CG 3.24Å; C1112-L1116 PolarHBondContact O-N 3.43Å; C1112-I1126 HydrophobicContact CB-CD1 4.09Å; C1112-I1156 HydrophobicContact CB-CD1 3.45Å; C1112-I1156 VanDerWaalsContact CB-CD1 3.45Å; C1112-I1156 HydrophobicContact CB-CG1 3.93Å
1113T96.2Very high94.2Very high1 Ų127.6 Ų27.61%0.00616%0.157CC..Hα-helixtrans-70.3-38.7178.552.70000112.3L1063 V1109 D1110 I1111 L1116 A1117 F1159L1063-T1113 HydrophobicContact CD1-CG2 4.44Å; V1109-T1113 HydrophobicContact CG1-CG2 3.89Å; V1109-T1113 VanDerWaalsContact O-CB 3.3Å; V1109-T1113 WeakPolarHBondContact O-CB 3.42Å; V1109-T1113 WeakPolarHBondContact O-CG2 3.44Å; V1109-T1113 PolarHBondContact O-N 3.03Å; V1109-T1113 PolarHBondContact O-OG1 3.19Å; D1110-T1113 PolarHBondContact O-OG1 3.49Å; I1111-T1113 PolarHBondContact O-N 3Å; T1113-L1116 PolarHBondContact O-N 2.69Å; T1113-A1117 WeakPolarHBondContact O-CB 3.39Å; T1113-A1117 PolarHBondContact O-N 3.34Å; T1113-F1159 HydrophobicContact CG2-CB 3.85Å; T1113-F1159 HydrophobicContact CG2-CD1 3.65Å; T1113-F1159 HydrophobicContact CG2-CD2 3.66Å; T1113-F1159 HydrophobicContact CG2-CE1 4.06Å; T1113-F1159 HydrophobicContact CG2-CE2 4.06Å; T1113-F1159 HydrophobicContact CG2-CG 3.43Å; T1113-F1159 VanDerWaalsContact CG2-CG 3.43Å; T1113-F1159 HydrophobicContact CG2-CZ 4.25Å; T1113-F1159 WeakPolarHBondContact O-CE1 3.44Å
1114K94.9Very high93.9Very high20 Ų2030.5 Ų30.59%0.08717%0.17CC..Hα-helixtrans-61.5-44.9170.2-75.7172.9177.8160.20112.1Y913 Y1082 D1110 L1116 A1117 D1118Y913-K1114 HydrophobicContact CD1-CB 3.95Å; Y913-K1114 HydrophobicContact CG-CB 4.27Å; Y1082-K1114 HydrophobicContact CE2-CD 4.18Å; D1110-K1114 WeakPolarHBondContact O-CB 3.5Å; D1110-K1114 WeakPolarHBondContact O-CG 3.44Å; D1110-K1114 PolarHBondContact O-N 3.03Å; D1110-K1114 VanDerWaalsContact O-N 3.1Å; D1110-K1114 IonicContact OD1-NZ 2.88Å; D1110-K1114 PolarHBondContact OD1-NZ 2.88Å; D1110-K1114 WeakPolarHBondContact OD2-CD 3.42Å; D1110-K1114 VanDerWaalsContact OD2-CE 3.23Å; D1110-K1114 WeakPolarHBondContact OD2-CE 3.39Å; D1110-K1114 IonicContact OD2-NZ 2.75Å; D1110-K1114 PolarHBondContact OD2-NZ 3.2Å; K1114-L1116 VanDerWaalsContact C-N 3.33Å; K1114-L1116 PolarHBondContact O-N 2.77Å; K1114-A1117 PolarHBondContact O-N 3.22Å; K1114-A1117 VanDerWaalsContact O-N 3.16Å; K1114-D1118 PolarHBondContact O-N 2.83Å
1115W94.2Very high93.7Very high2 Ų233 Ų331%0.00818%0.182CC..Hα-helixtrans-66.1-33.6179.4-156.2-16000112.5H618 H621 W791 Y913 I1111 C1112 N1121 I1126H618-W1115 HydrophobicContact CB-CZ3 4.29Å; H621-W1115 AromaticContact CE1-CE2 3.75Å; H621-W1115 AromaticContact CE1-CZ2 3.76Å; H621-W1115 AromaticContact CE1-NE1 3.37Å; H621-W1115 PolarHBondContact CE1-NE1 3.25Å; H621-W1115 AromaticContact NE2-CE2 3.98Å; H621-W1115 AromaticContact NE2-NE1 3.32Å; H621-W1115 PolarHBondContact NE2-NE1 2.82Å; W791-W1115 AromaticContact CH2-CH2 3.45Å; W791-W1115 HydrophobicContact CH2-CH2 3.45Å; W791-W1115 VanDerWaalsContact CH2-CH2 3.45Å; W791-W1115 AromaticContact CH2-CZ2 3.51Å; W791-W1115 HydrophobicContact CH2-CZ2 3.51Å; W791-W1115 HydrophobicContact CH2-CZ3 4.34Å; W791-W1115 AromaticContact CZ3-CH2 3.69Å; W791-W1115 HydrophobicContact CZ3-CH2 3.69Å; W791-W1115 AromaticContact CZ3-CZ2 3.49Å; W791-W1115 HydrophobicContact CZ3-CZ2 3.49Å; W791-W1115 VanDerWaalsContact CZ3-CZ2 3.49Å; W791-W1115 HydrophobicContact CZ3-CZ3 4.33Å; Y913-W1115 HydrophobicContact CD1-CB 4.42Å; Y913-W1115 HydrophobicContact CD2-CB 3.8Å; Y913-W1115 AromaticContact CD2-CD2 3.59Å; Y913-W1115 HydrophobicContact CD2-CD2 3.59Å; Y913-W1115 AromaticContact CD2-CE3 3.73Å; Y913-W1115 HydrophobicContact CD2-CE3 3.73Å; Y913-W1115 AromaticContact CD2-CG 3.66Å; Y913-W1115 HydrophobicContact CD2-CG 3.66Å; Y913-W1115 HydrophobicContact CD2-CZ3 4.33Å; Y913-W1115 HydrophobicContact CE1-CB 4.4Å; Y913-W1115 HydrophobicContact CE1-CG 4.45Å; Y913-W1115 HydrophobicContact CE2-CB 3.84Å; Y913-W1115 AromaticContact CE2-CD1 3.41Å; Y913-W1115 VanDerWaalsContact CE2-CD1 3.41Å; Y913-W1115 AromaticContact CE2-CD2 3.29Å; Y913-W1115 HydrophobicContact CE2-CD2 3.29Å; Y913-W1115 AromaticContact CE2-CE2 3.42Å; Y913-W1115 VanDerWaalsContact CE2-CE2 3.42Å; Y913-W1115 AromaticContact CE2-CE3 3.88Å; Y913-W1115 HydrophobicContact CE2-CE3 3.88Å; Y913-W1115 AromaticContact CE2-CG 3.27Å; Y913-W1115 HydrophobicContact CE2-CG 3.27Å; Y913-W1115 HydrophobicContact CE2-CH2 4.49Å; Y913-W1115 HydrophobicContact CE2-CZ2 4.04Å; Y913-W1115 HydrophobicContact CE2-CZ3 4.45Å; Y913-W1115 AromaticContact CE2-NE1 3.56Å; Y913-W1115 HydrophobicContact CG-CB 4.12Å; Y913-W1115 HydrophobicContact CG-CG 4.43Å; Y913-W1115 AromaticContact CZ-CD1 3.48Å; Y913-W1115 VanDerWaalsContact CZ-CD1 3.48Å; Y913-W1115 AromaticContact CZ-CG 3.7Å; Y913-W1115 AromaticContact CZ-NE1 3.87Å; I1111-W1115 HydrophobicContact CG2-CE3 4.4Å; I1111-W1115 WeakPolarHBondContact O-CB 3.21Å; I1111-W1115 PolarHBondContact O-N 3.1Å; C1112-W1115 PolarHBondContact O-N 3.08Å; W1115-N1121 WeakPolarHBondContact O-CB 3.24Å; W1115-N1121 PolarHBondContact O-ND2 3.45Å; W1115-I1126 HydrophobicContact CB-CG2 3.82Å; W1115-I1126 HydrophobicContact CD2-CG2 4.35Å; W1115-I1126 HydrophobicContact CG-CG2 3.9Å
1116L94.2Very high93.5Very high1 Ų133.1 Ų33.11%0.00518%0.182CC..Hα-helixtrans-69.6-35.3171.4-77.9176.3000113P794 C1112 T1113 K1114 H1124 I1126 I1156 F1159 L1165P794-L1116 HydrophobicContact CG-CD2 3.94Å; C1112-L1116 WeakPolarHBondContact O-CB 3.49Å; C1112-L1116 WeakPolarHBondContact O-CG 3.24Å; C1112-L1116 PolarHBondContact O-N 3.43Å; T1113-L1116 PolarHBondContact O-N 2.69Å; K1114-L1116 VanDerWaalsContact C-N 3.33Å; K1114-L1116 PolarHBondContact O-N 2.77Å; L1116-H1124 HydrophobicContact CD2-CB 4.14Å; L1116-H1124 WeakPolarHBondContact CD2-O 3.48Å; L1116-H1124 PolarHBondContact O-ND1 3.47Å; L1116-I1126 HydrophobicContact CD1-CD1 4.01Å; L1116-I1126 HydrophobicContact CD2-CD1 4.18Å; L1116-I1126 HydrophobicContact CD2-CG1 4.2Å; L1116-I1126 HydrophobicContact CD2-CG2 3.99Å; L1116-I1126 HydrophobicContact CG-CD1 4.03Å; L1116-I1126 HydrophobicContact CG-CG1 4.47Å; L1116-I1126 HydrophobicContact CG-CG2 3.93Å; L1116-I1156 HydrophobicContact CD1-CG2 3.79Å; L1116-F1159 HydrophobicContact CB-CD1 4.48Å; L1116-F1159 HydrophobicContact CB-CE1 4.05Å; L1116-F1159 HydrophobicContact CD1-CD1 4.09Å; L1116-F1159 HydrophobicContact CD1-CE1 4.48Å; L1116-L1165 HydrophobicContact CB-CD1 4.25Å
1117A92.8Very high93.3Very high70 Ų7033.1 Ų33.158%0.57918%0.182SC*.Hα-helixtrans-82.7-13.2-177.700000114.3T1113 K1114 S1119 F1159T1113-A1117 WeakPolarHBondContact O-CB 3.39Å; T1113-A1117 PolarHBondContact O-N 3.34Å; K1114-A1117 PolarHBondContact O-N 3.22Å; K1114-A1117 VanDerWaalsContact O-N 3.16Å; A1117-S1119 PolarHBondContact O-N 2.92Å; A1117-F1159 HydrophobicContact CB-CZ 4.28Å
1118D90.5Very high93.1Very high15 Ų1533.1 Ų33.18%0.0818%0.182CC..  trans-71.9125.1-178.9-176.67000112.5Y913 K1114 R1120 N1121Y913-D1118 HydrophobicContact CE1-CB 3.93Å; Y913-D1118 PolarHBondContact OH-OD2 3.5Å; K1114-D1118 PolarHBondContact O-N 2.83Å; D1118-R1120 PolarHBondContact O-N 2.97Å; D1118-R1120 IonicContact OD1-CZ 3.44Å; D1118-R1120 PolarHBondContact OD1-N 2.85Å; D1118-R1120 IonicContact OD1-NE 3.25Å; D1118-R1120 PolarHBondContact OD1-NE 2.93Å; D1118-R1120 IonicContact OD1-NH2 2.63Å; D1118-R1120 PolarHBondContact OD1-NH2 3.41Å; D1118-R1120 IonicContact OD2-CZ 2.74Å; D1118-R1120 IonicContact OD2-NE 3.86Å; D1118-R1120 PolarHBondContact OD2-NE 3.21Å; D1118-R1120 IonicContact OD2-NH2 2.59Å; D1118-R1120 PolarHBondContact OD2-NH2 2.78Å; D1118-N1121 HydrophobicContact CB-CB 4.5Å; D1118-N1121 WeakPolarHBondContact O-CB 3.26Å; D1118-N1121 PolarHBondContact O-N 3.08Å
1119S88.3Confident92.9Very high109 Ų10933.1 Ų33.176%0.76218%0.182SC*.THydrogen-bonded Turntrans-65.3-17.2175.557.30000114.5A1117 N1121A1117-S1119 PolarHBondContact O-N 2.92Å; S1119-N1121 VanDerWaalsContact C-N 3.35Å
1120R87.1Confident92.5Very high113 Ų11333.8 Ų33.843%0.42619%0.186SC..THydrogen-bonded Turntrans-73.3-26.6169.9-61.6173.1-66.8-125.8-23.7112.4R914 E1083 D1084 D1118 T1122R914-R1120 VanDerWaalsContact CD-NH2 3.31Å; E1083-R1120 IonicContact OE1-CZ 2.73Å; E1083-R1120 IonicContact OE1-NH2 2.73Å; E1083-R1120 PolarHBondContact OE1-NH2 2.77Å; E1083-R1120 IonicContact OE2-CZ 3.37Å; E1083-R1120 VanDerWaalsContact OE2-CZ 3.25Å; E1083-R1120 IonicContact OE2-NH1 3.44Å; E1083-R1120 PolarHBondContact OE2-NH1 2.83Å; E1083-R1120 IonicContact OE2-NH2 3.75Å; E1083-R1120 PolarHBondContact OE2-NH2 2.81Å; D1084-R1120 IonicContact OD2-NH1 3.69Å; D1118-R1120 PolarHBondContact O-N 2.97Å; D1118-R1120 IonicContact OD1-CZ 3.44Å; D1118-R1120 PolarHBondContact OD1-N 2.85Å; D1118-R1120 IonicContact OD1-NE 3.25Å; D1118-R1120 PolarHBondContact OD1-NE 2.93Å; D1118-R1120 IonicContact OD1-NH2 2.63Å; D1118-R1120 PolarHBondContact OD1-NH2 3.41Å; D1118-R1120 IonicContact OD2-CZ 2.74Å; D1118-R1120 IonicContact OD2-NE 3.86Å; D1118-R1120 PolarHBondContact OD2-NE 3.21Å; D1118-R1120 IonicContact OD2-NH2 2.59Å; D1118-R1120 PolarHBondContact OD2-NH2 2.78Å; R1120-T1122 VanDerWaalsContact C-N 3.27Å; R1120-T1122 PolarHBondContact O-N 2.88Å
1121N88.9Confident92.3Very high8 Ų833.8 Ų33.84%0.04319%0.186CC..  trans-82.871177.6-171.53.1000110.2W1115 D1118 S1119 E1123 H1124 K1125W1115-N1121 WeakPolarHBondContact O-CB 3.24Å; W1115-N1121 PolarHBondContact O-ND2 3.45Å; D1118-N1121 HydrophobicContact CB-CB 4.5Å; D1118-N1121 WeakPolarHBondContact O-CB 3.26Å; D1118-N1121 PolarHBondContact O-N 3.08Å; S1119-N1121 VanDerWaalsContact C-N 3.35Å; N1121-E1123 PolarHBondContact O-N 3.16Å; N1121-E1123 VanDerWaalsContact O-N 3.11Å; N1121-H1124 PolarHBondContact O-N 3.46Å; N1121-H1124 WeakPolarHBondContact OD1-CA 3.29Å; N1121-H1124 PolarHBondContact OD1-N 3.07Å; N1121-K1125 PolarHBondContact ND2-N 3.38Å; N1121-K1125 PolarHBondContact ND2-O 3.32Å; N1121-K1125 PolarHBondContact OD1-N 3.39Å
1122T87Confident92.2Very high121 Ų12133.9 Ų33.974%0.74219%0.186SC*.THydrogen-bonded Turntrans-63-18.2-172.951.30000114.7R1120R1120-T1122 VanDerWaalsContact C-N 3.27Å; R1120-T1122 PolarHBondContact O-N 2.88Å
1123E87.1Confident92Very high116 Ų11634.5 Ų34.554%0.54219%0.191SC..THydrogen-bonded Turntrans-98.3-3.4173.8-59.7-169.7-176.800113.1N793 N1121 K1125N793-E1123 VanDerWaalsContact CB-O 3.24Å; N793-E1123 WeakPolarHBondContact CB-O 3.34Å; N1121-E1123 PolarHBondContact O-N 3.16Å; N1121-E1123 VanDerWaalsContact O-N 3.11Å; E1123-K1125 HydrophobicContact CB-CD 4.19Å; E1123-K1125 HydrophobicContact CB-CG 4.05Å; E1123-K1125 PolarHBondContact O-N 3.18Å; E1123-K1125 WeakPolarHBondContact OE2-CD 3.18Å; E1123-K1125 VanDerWaalsContact OE2-CE 3.22Å; E1123-K1125 WeakPolarHBondContact OE2-CE 3.48Å; E1123-K1125 IonicContact OE2-NZ 2.74Å; E1123-K1125 PolarHBondContact OE2-NZ 3.09Å
1124H91.7Very high91.7Very high61 Ų6136.7 Ų36.728%0.28220%0.199SC..  trans49.734-171.3-58.2-78.7000113.7N793 L1116 N1121N793-H1124 WeakPolarHBondContact CA-O 3.4Å; L1116-H1124 HydrophobicContact CD2-CB 4.14Å; L1116-H1124 WeakPolarHBondContact CD2-O 3.48Å; L1116-H1124 PolarHBondContact O-ND1 3.47Å; N1121-H1124 PolarHBondContact O-N 3.46Å; N1121-H1124 WeakPolarHBondContact OD1-CA 3.29Å; N1121-H1124 PolarHBondContact OD1-N 3.07Å
1125K92.5Very high91.7Very high54 Ų5435.8 Ų35.824%0.23520%0.196CC..  trans-82.5136.3-179.1-80.8-179.7177159.90112.1W791 M792 N793 E796 N1121 E1123W791-K1125 HydrophobicContact CB-CD 4.43Å; M792-K1125 WeakPolarHBondContact O-CA 3.42Å; N793-K1125 HydrophobicContact CB-CG 4.05Å; E796-K1125 WeakPolarHBondContact OE2-CE 3.36Å; N1121-K1125 PolarHBondContact ND2-N 3.38Å; N1121-K1125 PolarHBondContact ND2-O 3.32Å; N1121-K1125 PolarHBondContact OD1-N 3.39Å; E1123-K1125 HydrophobicContact CB-CD 4.19Å; E1123-K1125 HydrophobicContact CB-CG 4.05Å; E1123-K1125 PolarHBondContact O-N 3.18Å; E1123-K1125 WeakPolarHBondContact OE2-CD 3.18Å; E1123-K1125 VanDerWaalsContact OE2-CE 3.22Å; E1123-K1125 WeakPolarHBondContact OE2-CE 3.48Å; E1123-K1125 IonicContact OE2-NZ 2.74Å; E1123-K1125 PolarHBondContact OE2-NZ 3.09Å
1126I94.1Very high91.7Very high2 Ų236.8 Ų36.81%0.0120%0.199CC..BIsolated β-bridgetrans-137.716317654.9164.5000110.3M792 C1112 W1115 L1116 I1128 I1156M792-I1126 PolarHBondContact N-O 3.41Å; M792-I1126 WeakPolarHBondContact O-CG1 3.48Å; M792-I1126 PolarHBondContact O-N 3.14Å; C1112-I1126 HydrophobicContact CB-CD1 4.09Å; W1115-I1126 HydrophobicContact CB-CG2 3.82Å; W1115-I1126 HydrophobicContact CD2-CG2 4.35Å; W1115-I1126 HydrophobicContact CG-CG2 3.9Å; L1116-I1126 HydrophobicContact CD1-CD1 4.01Å; L1116-I1126 HydrophobicContact CD2-CD1 4.18Å; L1116-I1126 HydrophobicContact CD2-CG1 4.2Å; L1116-I1126 HydrophobicContact CD2-CG2 3.99Å; L1116-I1126 HydrophobicContact CG-CD1 4.03Å; L1116-I1126 HydrophobicContact CG-CG1 4.47Å; L1116-I1126 HydrophobicContact CG-CG2 3.93Å; I1126-I1128 HydrophobicContact CD1-CG1 4.34Å; I1126-I1156 HydrophobicContact CD1-CG2 3.51Å
1127N93.1Very high91.5Very high0 Ų037.9 Ų37.90%021%0.207CC..  trans-134.1100.9179.7-174.1-34000109.5M787 H790 W791 P1129 L1130 T1131M787-N1127 PolarHBondContact O-ND2 3.46Å; H790-N1127 WeakPolarHBondContact O-CB 3.18Å; H790-N1127 PolarHBondContact O-ND2 3.24Å; W791-N1127 HydrophobicContact CD2-CB 3.85Å; W791-N1127 HydrophobicContact CE3-CB 3.73Å; W791-N1127 HydrophobicContact CG-CB 4.39Å; W791-N1127 HydrophobicContact CH2-CB 4.44Å; W791-N1127 HydrophobicContact CZ3-CB 4.03Å; N1127-P1129 WeakPolarHBondContact OD1-CD 3.38Å; N1127-L1130 HydrophobicContact CB-CB 4.11Å; N1127-L1130 WeakPolarHBondContact OD1-CB 3.39Å; N1127-L1130 PolarHBondContact OD1-N 2.93Å; N1127-T1131 VanDerWaalsContact O-CB 3.29Å; N1127-T1131 WeakPolarHBondContact O-CB 3.46Å; N1127-T1131 PolarHBondContact O-N 3.2Å; N1127-T1131 PolarHBondContact O-OG1 3.5Å
1128I94.7Very high91.4Very high1 Ų135.4 Ų35.41%0.00518%0.184CC..Hα-helixtrans-70.1-46.3-176.2-58.2175.8000111.7L797 T1108 I1126 L1130 T1131 V1132 Y1149 C1152 Y1153 I1156L797-I1128 HydrophobicContact CD1-CD1 3.87Å; L797-I1128 HydrophobicContact CD2-CD1 4.29Å; T1108-I1128 HydrophobicContact CG2-CG2 4.49Å; I1126-I1128 HydrophobicContact CD1-CG1 4.34Å; I1128-L1130 PolarHBondContact O-N 2.95Å; I1128-T1131 PolarHBondContact O-N 3.43Å; I1128-V1132 HydrophobicContact CG2-CG2 4.39Å; I1128-V1132 PolarHBondContact O-N 2.8Å; I1128-Y1149 HydrophobicContact CG2-CE2 4.23Å; I1128-C1152 HydrophobicContact CG2-CB 4.41Å; I1128-Y1153 HydrophobicContact CB-CE2 3.91Å; I1128-Y1153 HydrophobicContact CD1-CD1 3.98Å; I1128-Y1153 HydrophobicContact CD1-CD2 3.93Å; I1128-Y1153 HydrophobicContact CD1-CE1 3.98Å; I1128-Y1153 HydrophobicContact CD1-CE2 3.9Å; I1128-Y1153 HydrophobicContact CD1-CG 3.94Å; I1128-Y1153 HydrophobicContact CG2-CD2 4.11Å; I1128-Y1153 HydrophobicContact CG2-CE2 3.6Å; I1128-I1156 HydrophobicContact CD1-CD1 3.6Å; I1128-I1156 HydrophobicContact CD1-CG2 4.44Å; I1128-I1156 HydrophobicContact CG1-CD1 3.91Å
1129P93.5Very high91.6Very high0 Ų034.7 Ų34.70%018%0.18CC..Hα-helixtrans-55.3-50.1176.5-24.231000112.6M787 H790 E812 L816 N1127 T1131 V1132 A1133 Y1149M787-P1129 HydrophobicContact CG-CB 4.37Å; H790-P1129 HydrophobicContact CB-CG 4.41Å; E812-P1129 HydrophobicContact CG-CG 4.37Å; L816-P1129 HydrophobicContact CD1-CB 4.21Å; L816-P1129 HydrophobicContact CD2-CB 4.32Å; N1127-P1129 WeakPolarHBondContact OD1-CD 3.38Å; P1129-T1131 VanDerWaalsContact C-N 3.35Å; P1129-T1131 PolarHBondContact O-N 3.04Å; P1129-V1132 PolarHBondContact O-N 3.5Å; P1129-A1133 WeakPolarHBondContact O-CB 3.41Å; P1129-A1133 PolarHBondContact O-N 2.91Å; P1129-Y1149 WeakPolarHBondContact CA-OH 3.47Å; P1129-Y1149 WeakPolarHBondContact CG-OH 3.48Å
1130L90.6Very high91.8Very high14 Ų1432.8 Ų32.87%0.07316%0.158CC..Hα-helixtrans-64.8-37.3179.3-176.160000112.1W791 N1127 I1128 A1133 R1134W791-L1130 HydrophobicContact CZ2-CD2 4.09Å; N1127-L1130 HydrophobicContact CB-CB 4.11Å; N1127-L1130 WeakPolarHBondContact OD1-CB 3.39Å; N1127-L1130 PolarHBondContact OD1-N 2.93Å; I1128-L1130 PolarHBondContact O-N 2.95Å; L1130-A1133 PolarHBondContact O-N 3.46Å; L1130-R1134 HydrophobicContact CD1-CG 4.34Å; L1130-R1134 VanDerWaalsContact O-CB 3.3Å; L1130-R1134 WeakPolarHBondContact O-CB 3.34Å; L1130-R1134 VanDerWaalsContact O-CG 3.26Å; L1130-R1134 WeakPolarHBondContact O-CG 3.25Å; L1130-R1134 PolarHBondContact O-N 3.05Å
1131T93.9Very high92Very high2 Ų228 Ų281%0.01214%0.143CC..Hα-helixtrans-64.5-43.8175.6-61.70000111.1T1108 I1111 N1127 I1128 P1129 R1134 V1135T1108-T1131 HydrophobicContact CG2-CG2 4.06Å; I1111-T1131 HydrophobicContact CB-CG2 4.07Å; I1111-T1131 HydrophobicContact CD1-CG2 4.21Å; I1111-T1131 HydrophobicContact CG2-CG2 3.75Å; N1127-T1131 VanDerWaalsContact O-CB 3.29Å; N1127-T1131 WeakPolarHBondContact O-CB 3.46Å; N1127-T1131 PolarHBondContact O-N 3.2Å; N1127-T1131 PolarHBondContact O-OG1 3.5Å; I1128-T1131 PolarHBondContact O-N 3.43Å; P1129-T1131 VanDerWaalsContact C-N 3.35Å; P1129-T1131 PolarHBondContact O-N 3.04Å; T1131-R1134 PolarHBondContact O-N 3.28Å; T1131-V1135 VanDerWaalsContact O-CG2 3.31Å; T1131-V1135 WeakPolarHBondContact O-CG2 3.46Å; T1131-V1135 PolarHBondContact O-N 2.88Å
1132V94.8Very high92.3Very high1 Ų127.6 Ų27.61%0.00614%0.141CC..Hα-helixtrans-66.8-41176.7171.30000111.4L816 T1108 I1128 P1129 V1135 R1136 V1143 Y1149L816-V1132 HydrophobicContact CD1-CG1 4.41Å; T1108-V1132 HydrophobicContact CG2-CG2 3.6Å; I1128-V1132 HydrophobicContact CG2-CG2 4.39Å; I1128-V1132 PolarHBondContact O-N 2.8Å; P1129-V1132 PolarHBondContact O-N 3.5Å; V1132-V1135 PolarHBondContact O-N 3.5Å; V1132-R1136 HydrophobicContact CG1-CG 4.3Å; V1132-R1136 VanDerWaalsContact O-CB 3.32Å; V1132-R1136 WeakPolarHBondContact O-CB 3.18Å; V1132-R1136 WeakPolarHBondContact O-CD 3.45Å; V1132-R1136 WeakPolarHBondContact O-CG 3.48Å; V1132-R1136 PolarHBondContact O-N 3.31Å; V1132-V1143 HydrophobicContact CG1-CB 4.28Å; V1132-V1143 HydrophobicContact CG1-CG2 4.15Å; V1132-V1143 HydrophobicContact CG2-CG2 4.2Å; V1132-Y1149 HydrophobicContact CB-CE2 4.07Å; V1132-Y1149 HydrophobicContact CG1-CD2 4.28Å; V1132-Y1149 HydrophobicContact CG1-CE2 4.2Å; V1132-Y1149 HydrophobicContact CG2-CD2 4.02Å; V1132-Y1149 HydrophobicContact CG2-CE2 3.77Å
1133A91.5Very high92.7Very high14 Ų1421.8 Ų21.812%0.11611%0.106CC..Hα-helixtrans-59.9-46.7174.300000112.3M787 L816 L819 P1129 L1130 R1136 S1137M787-A1133 HydrophobicContact SD-CB 3.79Å; L816-A1133 HydrophobicContact CD2-CB 4.12Å; L819-A1133 HydrophobicContact CD1-CB 4.02Å; P1129-A1133 WeakPolarHBondContact O-CB 3.41Å; P1129-A1133 PolarHBondContact O-N 2.91Å; L1130-A1133 PolarHBondContact O-N 3.46Å; A1133-R1136 PolarHBondContact O-N 2.86Å; A1133-R1136 VanDerWaalsContact O-N 3.15Å; A1133-S1137 PolarHBondContact O-N 2.98Å
1134R90.9Very high93Very high46 Ų4618 Ų1817%0.1749%0.088CC..Hα-helixtrans-62.9-41177.1-76.3176.1175.7178.73.9112.5I617 H618 L1130 T1131 R1136 S1137 Q1138I617-R1134 HydrophobicContact CD1-CB 3.64Å; I617-R1134 HydrophobicContact CD1-CG 4.01Å; I617-R1134 HydrophobicContact CG1-CB 4.19Å; I617-R1134 HydrophobicContact CG1-CG 4.39Å; I617-R1134 VanDerWaalsContact O-CD 3.24Å; I617-R1134 WeakPolarHBondContact O-CD 3.46Å; I617-R1134 PolarHBondContact O-NE 2.85Å; I617-R1134 PolarHBondContact O-NH1 2.99Å; H618-R1134 VanDerWaalsContact CE1-CB 3.47Å; H618-R1134 WeakPolarHBondContact CE1-CB 3.5Å; L1130-R1134 HydrophobicContact CD1-CG 4.34Å; L1130-R1134 VanDerWaalsContact O-CB 3.3Å; L1130-R1134 WeakPolarHBondContact O-CB 3.34Å; L1130-R1134 VanDerWaalsContact O-CG 3.26Å; L1130-R1134 WeakPolarHBondContact O-CG 3.25Å; L1130-R1134 PolarHBondContact O-N 3.05Å; T1131-R1134 PolarHBondContact O-N 3.28Å; R1134-R1136 VanDerWaalsContact C-N 3.34Å; R1134-R1136 PolarHBondContact O-N 3.46Å; R1134-S1137 PolarHBondContact O-OG 3.38Å; R1134-Q1138 PolarHBondContact O-N 3.32Å
1135V94.1Very high93Very high1 Ų117 Ų171%0.0069%0.087CC..Hα-helixtrans-67.6-33.4173.2172.60000111.7V910 V1107 I1111 T1131 V1132 Q1138 R1139 C1142V910-V1135 HydrophobicContact CG1-CG1 4.24Å; V910-V1135 HydrophobicContact CG1-CG2 4.28Å; V1107-V1135 HydrophobicContact CG1-CG1 4.25Å; V1107-V1135 HydrophobicContact CG1-CG2 3.99Å; I1111-V1135 HydrophobicContact CD1-CG2 3.76Å; T1131-V1135 VanDerWaalsContact O-CG2 3.31Å; T1131-V1135 WeakPolarHBondContact O-CG2 3.46Å; T1131-V1135 PolarHBondContact O-N 2.88Å; V1132-V1135 PolarHBondContact O-N 3.5Å; V1135-Q1138 PolarHBondContact O-N 3.19Å; V1135-R1139 PolarHBondContact O-N 3.42Å; V1135-C1142 HydrophobicContact CG1-CB 3.71Å
1136R93.8Very high93.1Very high23 Ų2315.8 Ų15.89%0.0878%0.084CC..Hα-helixtrans-73.8-29178.3-76.1169.571.880.71.6114.4L816 N821 V1132 A1133 R1134 R1139 C1142 V1143L816-R1136 PolarHBondContact O-NE 3.43Å; L816-R1136 VanDerWaalsContact O-NE 3.14Å; N821-R1136 PolarHBondContact ND2-O 2.88Å; V1132-R1136 HydrophobicContact CG1-CG 4.3Å; V1132-R1136 VanDerWaalsContact O-CB 3.32Å; V1132-R1136 WeakPolarHBondContact O-CB 3.18Å; V1132-R1136 WeakPolarHBondContact O-CD 3.45Å; V1132-R1136 WeakPolarHBondContact O-CG 3.48Å; V1132-R1136 PolarHBondContact O-N 3.31Å; A1133-R1136 PolarHBondContact O-N 2.86Å; A1133-R1136 VanDerWaalsContact O-N 3.15Å; R1134-R1136 VanDerWaalsContact C-N 3.34Å; R1134-R1136 PolarHBondContact O-N 3.46Å; R1136-R1139 CarbonylContact O-C 3.59Å; R1136-C1142 WeakPolarHBondContact CD-O 3.39Å; R1136-C1142 HydrophobicContact CG-CB 4.02Å; R1136-C1142 WeakPolarHBondContact CG-O 3.19Å; R1136-C1142 PolarHBondContact NH1-O 3.34Å; R1136-V1143 PolarHBondContact NH1-O 3.14Å
1137S89.9Confident93.1Very high24 Ų2416.8 Ų16.817%0.1689%0.092CC..Hα-helixtrans-70.9-34.5172.669.50000111.7N821 Y823 H845 A1133 R1134N821-S1137 WeakPolarHBondContact ND2-CA 3.11Å; Y823-S1137 WeakPolarHBondContact CE2-O 3.33Å; H845-S1137 PolarHBondContact CD2-O 2.88Å; A1133-S1137 PolarHBondContact O-N 2.98Å; R1134-S1137 PolarHBondContact O-OG 3.38Å
1138Q92.1Very high93.2Very high18 Ų1817.8 Ų17.88%0.08410%0.096CC..Hα-helixtrans-81.8-35.5177.6-64.6-174.5-28.400113.3I617 T848 N908 V910 D911 R1134 V1135I617-Q1138 HydrophobicContact CD1-CG 4.03Å; T848-Q1138 HydrophobicContact CG2-CB 4.42Å; T848-Q1138 HydrophobicContact CG2-CG 4.42Å; T848-Q1138 PolarHBondContact OG1-O 3.22Å; N908-Q1138 WeakPolarHBondContact CB-O 3.48Å; V910-Q1138 HydrophobicContact CG1-CB 4.42Å; V910-Q1138 HydrophobicContact CG2-CB 4.1Å; D911-Q1138 VanDerWaalsContact CG-NE2 3.34Å; D911-Q1138 PolarHBondContact OD2-NE2 2.91Å; R1134-Q1138 PolarHBondContact O-N 3.32Å; V1135-Q1138 PolarHBondContact O-N 3.19Å
1139R94.8Very high93.3Very high0 Ų017.7 Ų17.70%010%0.096CC..SBendtrans-133.6106174.6-179.771.8175.4175.4-0.5110.7H906 N908 V910 C921 A1098 G1099 I1100 V1135 R1136 G1141 C1142H906-R1139 PolarHBondContact CE1-NH1 2.88Å; H906-R1139 VanDerWaalsContact CE1-NH1 3.29Å; H906-R1139 PolarHBondContact CE1-NH2 3.1Å; H906-R1139 PolarHBondContact ND1-NH1 2.94Å; H906-R1139 PolarHBondContact ND1-NH2 3.25Å; N908-R1139 HydrophobicContact CB-CB 4.45Å; N908-R1139 WeakPolarHBondContact OD1-CD 3.47Å; N908-R1139 PolarHBondContact OD1-NH1 3.03Å; V910-R1139 HydrophobicContact CG2-CB 3.77Å; C921-R1139 HydrophobicContact CB-CB 4.33Å; C921-R1139 HydrophobicContact CB-CG 3.88Å; A1098-R1139 PolarHBondContact O-NH2 3.01Å; G1099-R1139 PolarHBondContact O-NE 3.48Å; I1100-R1139 HydrophobicContact CG2-CG 4.37Å; V1135-R1139 PolarHBondContact O-N 3.42Å; R1136-R1139 CarbonylContact O-C 3.59Å; R1139-G1141 PolarHBondContact O-N 3.45Å; R1139-C1142 VanDerWaalsContact CG-SG 3.52Å; R1139-C1142 WeakPolarHBondContact O-CB 3.42Å; R1139-C1142 PolarHBondContact O-N 3.03Å
1140F91.7Very high93.4Very high69 Ų6918.4 Ų18.430%0.30310%0.1SC..THydrogen-bonded Turntrans-46.5133-177.9-172.7-105.5000113.6I843 H845 I1100 C1142I843-F1140 HydrophobicContact CB-CB 4.24Å; I843-F1140 HydrophobicContact CB-CD1 3.81Å; I843-F1140 HydrophobicContact CB-CE1 4.37Å; I843-F1140 HydrophobicContact CB-CG 4Å; I843-F1140 HydrophobicContact CD1-CD1 4.36Å; I843-F1140 HydrophobicContact CD1-CE1 4.11Å; I843-F1140 HydrophobicContact CD1-CE2 4.48Å; I843-F1140 HydrophobicContact CD1-CZ 4.17Å; I843-F1140 HydrophobicContact CG1-CD1 4.2Å; I843-F1140 HydrophobicContact CG1-CE1 4.26Å; H845-F1140 AromaticContact CE1-CD2 3.63Å; H845-F1140 WeakPolarHBondContact NE2-CB 3.43Å; H845-F1140 AromaticContact NE2-CD2 3.77Å; I1100-F1140 WeakPolarHBondContact CG2-O 3.4Å; F1140-C1142 PolarHBondContact O-N 3.44Å
1141G91.8Very high93.6Very high12 Ų1218 Ų1812%0.12410%0.098CC..THydrogen-bonded Turntrans69.613.1172.800000115.4R1139R1139-G1141 PolarHBondContact O-N 3.45Å
1142C95.4Very high93.8Very high0 Ų017.9 Ų17.90%010%0.097CC..  trans-56138.2173-970000112.2I1100 V1135 R1136 R1139 F1140I1100-C1142 WeakPolarHBondContact O-CA 3.27Å; V1135-C1142 HydrophobicContact CG1-CB 3.71Å; R1136-C1142 WeakPolarHBondContact CD-O 3.39Å; R1136-C1142 HydrophobicContact CG-CB 4.02Å; R1136-C1142 WeakPolarHBondContact CG-O 3.19Å; R1136-C1142 PolarHBondContact NH1-O 3.34Å; R1139-C1142 VanDerWaalsContact CG-SG 3.52Å; R1139-C1142 WeakPolarHBondContact O-CB 3.42Å; R1139-C1142 PolarHBondContact O-N 3.03Å; F1140-C1142 PolarHBondContact O-N 3.44Å
1143V95.1Very high93.9Very high0 Ų017.9 Ų17.90%010%0.097CC..SBendtrans57.5101-161.5-169.80000110.1Y813 I1100 V1132 R1136 Q1148 Y1149Y813-V1143 HydrophobicContact CE2-CG1 4.15Å; Y813-V1143 PolarHBondContact OH-O 3.3Å; I1100-V1143 PolarHBondContact O-N 2.83Å; I1100-V1143 VanDerWaalsContact O-N 3.09Å; V1132-V1143 HydrophobicContact CG1-CB 4.28Å; V1132-V1143 HydrophobicContact CG1-CG2 4.15Å; V1132-V1143 HydrophobicContact CG2-CG2 4.2Å; R1136-V1143 PolarHBondContact NH1-O 3.14Å; V1143-Q1148 HydrophobicContact CG1-CB 3.89Å; V1143-Y1149 HydrophobicContact CG1-CD2 4.33Å
1144Q92.4Very high94Very high37 Ų3720 Ų2017%0.17310%0.102CC..  trans-94.8-19-161.1-175.2174.80.100114.4Y813 I1100 T1202Y813-Q1144 PolarHBondContact OH-O 3.13Å; I1100-Q1144 HydrophobicContact CD1-CG 4.42Å; I1100-Q1144 HydrophobicContact CG1-CB 4.5Å; Q1144-T1202 PolarHBondContact NE2-OG1 2.84Å
1145V93.3Very high94.3Very high40 Ų4017.9 Ų17.924%0.2429%0.094CC..SBendtrans-146.7154.5179.2-66.80000110.4Y813 S1147 Q1148 Y1149Y813-V1145 WeakPolarHBondContact OH-CA 3.17Å; Y813-V1145 PolarHBondContact OH-N 3.33Å; V1145-S1147 VanDerWaalsContact C-N 3.28Å; V1145-S1147 PolarHBondContact O-N 3.38Å; V1145-Q1148 HydrophobicContact CG2-CB 4.18Å; V1145-Q1148 HydrophobicContact CG2-CG 3.71Å; V1145-Q1148 WeakPolarHBondContact O-CA 3.16Å; V1145-Q1148 VanDerWaalsContact O-CB 3.32Å; V1145-Q1148 WeakPolarHBondContact O-CB 3.39Å; V1145-Q1148 PolarHBondContact O-N 3.16Å; V1145-Y1149 PolarHBondContact O-N 2.67Å
1146S93.8Very high94.4Very high27 Ų2717.9 Ų17.919%0.1899%0.094CC..Hα-helixtrans-60-33.5-177.163.70000113.8N810 Q1148 Y1149 V1150N810-S1146 WeakPolarHBondContact OD1-CB 3.41Å; N810-S1146 PolarHBondContact OD1-OG 3.47Å; S1146-Q1148 PolarHBondContact O-N 2.85Å; S1146-Y1149 CarbonylContact O-C 3.58Å; S1146-Y1149 WeakPolarHBondContact O-CA 3.41Å; S1146-Y1149 VanDerWaalsContact O-CB 3.31Å; S1146-Y1149 WeakPolarHBondContact O-CB 3.25Å; S1146-Y1149 PolarHBondContact O-N 2.74Å; S1146-V1150 WeakPolarHBondContact O-CG2 3.2Å; S1146-V1150 PolarHBondContact O-N 3.15Å
1147S94Very high94.6Very high24 Ų2416.8 Ų16.817%0.1689%0.09CC..Hα-helixtrans-64.9-22.2173.945.50000113.9T1052 V1145 F1151 Y1199T1052-S1147 VanDerWaalsContact CG2-O 3.29Å; T1052-S1147 WeakPolarHBondContact CG2-O 3.47Å; V1145-S1147 VanDerWaalsContact C-N 3.28Å; V1145-S1147 PolarHBondContact O-N 3.38Å; S1147-F1151 VanDerWaalsContact O-CB 3.3Å; S1147-F1151 WeakPolarHBondContact O-CB 3.48Å; S1147-F1151 PolarHBondContact O-N 3.2Å; S1147-Y1199 PolarHBondContact OG-OH 3.27Å
1148Q95.7Very high94.8Very high20 Ų2017 Ų179%0.0939%0.089CC..Hα-helixtrans-77.9-30.1168.3-72.6171.19.400112.3W1047 T1052 G1101 V1143 V1145 S1146 C1152W1047-Q1148 HydrophobicContact CZ2-CG 4.49Å; T1052-Q1148 HydrophobicContact CG2-CB 4.49Å; T1052-Q1148 HydrophobicContact CG2-CG 3.94Å; G1101-Q1148 VanDerWaalsContact C-OE1 3.29Å; V1143-Q1148 HydrophobicContact CG1-CB 3.89Å; V1145-Q1148 HydrophobicContact CG2-CB 4.18Å; V1145-Q1148 HydrophobicContact CG2-CG 3.71Å; V1145-Q1148 WeakPolarHBondContact O-CA 3.16Å; V1145-Q1148 VanDerWaalsContact O-CB 3.32Å; V1145-Q1148 WeakPolarHBondContact O-CB 3.39Å; V1145-Q1148 PolarHBondContact O-N 3.16Å; S1146-Q1148 PolarHBondContact O-N 2.85Å; Q1148-C1152 PolarHBondContact O-N 3.33Å; Q1148-C1152 PolarHBondContact O-SG 3.34Å; Q1148-C1152 VanDerWaalsContact O-SG 3.39Å
1149Y96.5Very high95Very high0 Ų017.4 Ų17.40%09%0.091CC..Hα-helixtrans-74.6-47.7177.8-174.3-101.5000111.9E812 Y813 L816 I1128 P1129 V1132 V1143 V1145 S1146 F1151 C1152 Y1153E812-Y1149 HydrophobicContact CB-CE1 4.41Å; E812-Y1149 HydrophobicContact CG-CE1 4.39Å; E812-Y1149 WeakPolarHBondContact OE1-CE1 3.02Å; E812-Y1149 VanDerWaalsContact OE1-CZ 3.22Å; E812-Y1149 PolarHBondContact OE1-OH 3.45Å; Y813-Y1149 HydrophobicContact CD2-CD1 4.43Å; Y813-Y1149 HydrophobicContact CD2-CD2 4.09Å; Y813-Y1149 AromaticContact CD2-CG 3.78Å; Y813-Y1149 HydrophobicContact CD2-CG 3.78Å; Y813-Y1149 HydrophobicContact CG-CG 4.33Å; L816-Y1149 HydrophobicContact CD1-CD2 4.36Å; L816-Y1149 HydrophobicContact CD1-CE1 4.47Å; L816-Y1149 HydrophobicContact CD1-CE2 3.47Å; L816-Y1149 VanDerWaalsContact CD1-CE2 3.47Å; L816-Y1149 WeakPolarHBondContact CD1-OH 3.36Å; I1128-Y1149 HydrophobicContact CG2-CE2 4.23Å; P1129-Y1149 WeakPolarHBondContact CA-OH 3.47Å; P1129-Y1149 WeakPolarHBondContact CG-OH 3.48Å; V1132-Y1149 HydrophobicContact CB-CE2 4.07Å; V1132-Y1149 HydrophobicContact CG1-CD2 4.28Å; V1132-Y1149 HydrophobicContact CG1-CE2 4.2Å; V1132-Y1149 HydrophobicContact CG2-CD2 4.02Å; V1132-Y1149 HydrophobicContact CG2-CE2 3.77Å; V1143-Y1149 HydrophobicContact CG1-CD2 4.33Å; V1145-Y1149 PolarHBondContact O-N 2.67Å; S1146-Y1149 CarbonylContact O-C 3.58Å; S1146-Y1149 WeakPolarHBondContact O-CA 3.41Å; S1146-Y1149 VanDerWaalsContact O-CB 3.31Å; S1146-Y1149 WeakPolarHBondContact O-CB 3.25Å; S1146-Y1149 PolarHBondContact O-N 2.74Å; Y1149-F1151 PolarHBondContact O-N 2.97Å; Y1149-C1152 WeakPolarHBondContact O-CA 3.26Å; Y1149-C1152 WeakPolarHBondContact O-CB 3.25Å; Y1149-C1152 PolarHBondContact O-N 2.89Å; Y1149-Y1153 HydrophobicContact CD1-CE2 4.35Å; Y1149-Y1153 HydrophobicContact CE1-CD2 4.31Å; Y1149-Y1153 AromaticContact CE1-CE2 3.65Å; Y1149-Y1153 HydrophobicContact CE1-CE2 3.65Å; Y1149-Y1153 AromaticContact CZ-CE2 3.77Å; Y1149-Y1153 PolarHBondContact O-N 3.07Å
1150V95.3Very high95.1Very high15 Ų1517.5 Ų17.59%0.0919%0.092CC..Hα-helixtrans-57.5-34.3170.2174.90000111.2L806 L809 S1146 C1152 Y1153 R1154 L1178L806-V1150 HydrophobicContact CD1-CG1 4.07Å; L806-V1150 HydrophobicContact CD1-CG2 3.84Å; L809-V1150 HydrophobicContact CB-CG2 3.94Å; L809-V1150 HydrophobicContact CD1-CG2 4.14Å; S1146-V1150 WeakPolarHBondContact O-CG2 3.2Å; S1146-V1150 PolarHBondContact O-N 3.15Å; V1150-C1152 VanDerWaalsContact C-N 3.35Å; V1150-Y1153 WeakPolarHBondContact O-CB 3.49Å; V1150-Y1153 PolarHBondContact O-N 3.04Å; V1150-R1154 PolarHBondContact O-N 3.5Å; V1150-R1154 VanDerWaalsContact O-N 3.08Å; V1150-L1178 HydrophobicContact CG1-CB 4.36Å; V1150-L1178 HydrophobicContact CG1-CD1 4.09Å; V1150-L1178 HydrophobicContact CG1-CD2 4.04Å; V1150-L1178 HydrophobicContact CG1-CG 4.4Å
1151F95.8Very high95.3Very high5 Ų515.9 Ų15.92%0.0229%0.087CC..Hα-helixtrans-71.5-24.6175.1-170.4-97.9000113.6W1047 T1052 P1053 T1056 L1059 T1105 S1147 Y1149 A1155W1047-F1151 HydrophobicContact CH2-CD1 4.47Å; W1047-F1151 HydrophobicContact CH2-CE1 4.46Å; T1052-F1151 HydrophobicContact CG2-CB 3.78Å; T1052-F1151 HydrophobicContact CG2-CD1 4.43Å; T1052-F1151 HydrophobicContact CG2-CD2 4.44Å; T1052-F1151 HydrophobicContact CG2-CG 3.98Å; P1053-F1151 HydrophobicContact CB-CE2 4.07Å; P1053-F1151 HydrophobicContact CB-CZ 3.8Å; P1053-F1151 HydrophobicContact CG-CE1 4.2Å; P1053-F1151 HydrophobicContact CG-CE2 4.34Å; P1053-F1151 HydrophobicContact CG-CZ 3.74Å; P1053-F1151 WeakPolarHBondContact O-CE2 3.4Å; T1056-F1151 HydrophobicContact CG2-CE2 3.75Å; T1056-F1151 HydrophobicContact CG2-CZ 3.83Å; L1059-F1151 HydrophobicContact CD2-CE1 3.7Å; T1105-F1151 HydrophobicContact CG2-CD1 4.04Å; S1147-F1151 VanDerWaalsContact O-CB 3.3Å; S1147-F1151 WeakPolarHBondContact O-CB 3.48Å; S1147-F1151 PolarHBondContact O-N 3.2Å; Y1149-F1151 PolarHBondContact O-N 2.97Å; F1151-A1155 VanDerWaalsContact O-CB 3.32Å; F1151-A1155 WeakPolarHBondContact O-CB 3.33Å; F1151-A1155 PolarHBondContact O-N 2.97Å
1152C96.9Very high95.4Very high0 Ų021.3 Ų21.30%011%0.113CC..Hα-helixtrans-61.2-51.9167.2-62.80000110.3T1108 V1109 I1128 Q1148 Y1149 V1150 R1154 A1155 I1156T1108-C1152 HydrophobicContact CG2-CB 4.39Å; V1109-C1152 HydrophobicContact CG2-CB 4.37Å; I1128-C1152 HydrophobicContact CG2-CB 4.41Å; Q1148-C1152 PolarHBondContact O-N 3.33Å; Q1148-C1152 PolarHBondContact O-SG 3.34Å; Q1148-C1152 VanDerWaalsContact O-SG 3.39Å; Y1149-C1152 WeakPolarHBondContact O-CA 3.26Å; Y1149-C1152 WeakPolarHBondContact O-CB 3.25Å; Y1149-C1152 PolarHBondContact O-N 2.89Å; V1150-C1152 VanDerWaalsContact C-N 3.35Å; C1152-R1154 VanDerWaalsContact C-N 3.34Å; C1152-R1154 PolarHBondContact O-N 3.39Å; C1152-A1155 PolarHBondContact O-N 3.23Å; C1152-I1156 HydrophobicContact CB-CD1 4.47Å; C1152-I1156 WeakPolarHBondContact O-CB 3.32Å; C1152-I1156 WeakPolarHBondContact O-CD1 3.32Å; C1152-I1156 VanDerWaalsContact O-CG1 3.24Å; C1152-I1156 WeakPolarHBondContact O-CG1 3.43Å; C1152-I1156 PolarHBondContact O-N 3.1Å
1153Y96.3Very high95.3Very high0 Ų024.2 Ų24.20%013%0.134CC..Hα-helixtrans-53.6-50.1177.3-83.5-104.5000111.3L797 H800 I801 L809 E812 I1128 Y1149 V1150 I1156 I1157L797-Y1153 HydrophobicContact CD1-CD1 3.72Å; L797-Y1153 HydrophobicContact CD1-CE1 3.49Å; L797-Y1153 VanDerWaalsContact CD1-CE1 3.49Å; L797-Y1153 HydrophobicContact CG-CD1 4.28Å; L797-Y1153 HydrophobicContact CG-CE1 4.48Å; H800-Y1153 AromaticContact CD2-CE1 3.91Å; I801-Y1153 HydrophobicContact CD1-CD1 4.1Å; I801-Y1153 HydrophobicContact CG1-CD1 4.09Å; L809-Y1153 HydrophobicContact CD1-CD1 4.46Å; L809-Y1153 HydrophobicContact CD1-CG 4.29Å; L809-Y1153 HydrophobicContact CD2-CD1 4.29Å; L809-Y1153 HydrophobicContact CD2-CD2 4.39Å; L809-Y1153 HydrophobicContact CD2-CE1 3.92Å; L809-Y1153 HydrophobicContact CD2-CE2 4.07Å; E812-Y1153 PolarHBondContact OE1-OH 3.42Å; I1128-Y1153 HydrophobicContact CB-CE2 3.91Å; I1128-Y1153 HydrophobicContact CD1-CD1 3.98Å; I1128-Y1153 HydrophobicContact CD1-CD2 3.93Å; I1128-Y1153 HydrophobicContact CD1-CE1 3.98Å; I1128-Y1153 HydrophobicContact CD1-CE2 3.9Å; I1128-Y1153 HydrophobicContact CD1-CG 3.94Å; I1128-Y1153 HydrophobicContact CG2-CD2 4.11Å; I1128-Y1153 HydrophobicContact CG2-CE2 3.6Å; Y1149-Y1153 HydrophobicContact CD1-CE2 4.35Å; Y1149-Y1153 HydrophobicContact CE1-CD2 4.31Å; Y1149-Y1153 AromaticContact CE1-CE2 3.65Å; Y1149-Y1153 HydrophobicContact CE1-CE2 3.65Å; Y1149-Y1153 AromaticContact CZ-CE2 3.77Å; Y1149-Y1153 PolarHBondContact O-N 3.07Å; V1150-Y1153 WeakPolarHBondContact O-CB 3.49Å; V1150-Y1153 PolarHBondContact O-N 3.04Å; Y1153-I1156 PolarHBondContact O-N 3.24Å; Y1153-I1157 WeakPolarHBondContact O-CG1 3.42Å; Y1153-I1157 PolarHBondContact O-N 3.01Å
1154R95.4Very high95.3Very high60 Ų6027.3 Ų27.323%0.22617%0.166CC..Hα-helixtrans-61.4-46.9178.8180167.1174.5-151.8-6113Q1054 T1056 V1150 C1152 I1156 I1157 D1158 L1175Q1054-R1154 PolarHBondContact O-NH1 2.88Å; Q1054-R1154 PolarHBondContact O-NH2 2.8Å; T1056-R1154 HydrophobicContact CG2-CG 3.87Å; V1150-R1154 PolarHBondContact O-N 3.5Å; V1150-R1154 VanDerWaalsContact O-N 3.08Å; C1152-R1154 VanDerWaalsContact C-N 3.34Å; C1152-R1154 PolarHBondContact O-N 3.39Å; R1154-I1156 VanDerWaalsContact C-N 3.29Å; R1154-I1156 PolarHBondContact O-N 2.84Å; R1154-I1157 PolarHBondContact O-N 3.46Å; R1154-D1158 WeakPolarHBondContact CG-OD2 3.49Å; R1154-D1158 IonicContact NE-OD2 3.92Å; R1154-D1158 WeakPolarHBondContact O-CB 3.25Å; R1154-D1158 PolarHBondContact O-N 2.82Å; R1154-L1175 HydrophobicContact CB-CD2 4.02Å; R1154-L1175 HydrophobicContact CG-CD2 3.72Å
1155A96.3Very high95.3Very high0 Ų028 Ų280%017%0.17CC..Hα-helixtrans-63.1-35.4178.700000113T1056 V1109 F1151 C1152 F1159T1056-A1155 HydrophobicContact CG2-CB 3.94Å; V1109-A1155 HydrophobicContact CG1-CB 4.08Å; V1109-A1155 HydrophobicContact CG2-CB 3.99Å; F1151-A1155 VanDerWaalsContact O-CB 3.32Å; F1151-A1155 WeakPolarHBondContact O-CB 3.33Å; F1151-A1155 PolarHBondContact O-N 2.97Å; C1152-A1155 PolarHBondContact O-N 3.23Å; A1155-F1159 WeakPolarHBondContact O-CB 3.16Å; A1155-F1159 PolarHBondContact O-N 2.8Å
1156I97Very high95.3Very high1 Ų126.5 Ų26.51%0.00516%0.161CC..Hα-helixtrans-72.7-37.6178.2-71164.8000111.2L797 V1109 C1112 L1116 I1126 I1128 C1152 Y1153 R1154 F1159 A1160L797-I1156 HydrophobicContact CD2-CG2 3.88Å; V1109-I1156 HydrophobicContact CG1-CG1 4.44Å; V1109-I1156 HydrophobicContact CG2-CG1 4.4Å; C1112-I1156 HydrophobicContact CB-CD1 3.45Å; C1112-I1156 VanDerWaalsContact CB-CD1 3.45Å; C1112-I1156 HydrophobicContact CB-CG1 3.93Å; L1116-I1156 HydrophobicContact CD1-CG2 3.79Å; I1126-I1156 HydrophobicContact CD1-CG2 3.51Å; I1128-I1156 HydrophobicContact CD1-CD1 3.6Å; I1128-I1156 HydrophobicContact CD1-CG2 4.44Å; I1128-I1156 HydrophobicContact CG1-CD1 3.91Å; C1152-I1156 HydrophobicContact CB-CD1 4.47Å; C1152-I1156 WeakPolarHBondContact O-CB 3.32Å; C1152-I1156 WeakPolarHBondContact O-CD1 3.32Å; C1152-I1156 VanDerWaalsContact O-CG1 3.24Å; C1152-I1156 WeakPolarHBondContact O-CG1 3.43Å; C1152-I1156 PolarHBondContact O-N 3.1Å; Y1153-I1156 PolarHBondContact O-N 3.24Å; R1154-I1156 VanDerWaalsContact C-N 3.29Å; R1154-I1156 PolarHBondContact O-N 2.84Å; I1156-F1159 PolarHBondContact O-N 2.64Å; I1156-A1160 WeakPolarHBondContact O-CB 3.43Å; I1156-A1160 PolarHBondContact O-N 2.95Å
1157I96.3Very high95.2Very high0 Ų029 Ų290%017%0.172CC..Hα-helixtrans-67.4-47172.8-75.4175.9000111.5L797 V798 I801 Y1153 R1154 F1159 A1160 V1161 L1166 A1171 L1175L797-I1157 HydrophobicContact CD2-CD1 4.32Å; L797-I1157 HydrophobicContact CD2-CG1 3.81Å; L797-I1157 HydrophobicContact CG-CD1 4.37Å; L797-I1157 HydrophobicContact CG-CG1 4.37Å; V798-I1157 HydrophobicContact CG2-CD1 4.19Å; I801-I1157 HydrophobicContact CD1-CD1 3.23Å; Y1153-I1157 WeakPolarHBondContact O-CG1 3.42Å; Y1153-I1157 PolarHBondContact O-N 3.01Å; R1154-I1157 PolarHBondContact O-N 3.46Å; I1157-F1159 PolarHBondContact O-N 2.88Å; I1157-A1160 PolarHBondContact O-N 2.85Å; I1157-A1160 VanDerWaalsContact O-N 3.08Å; I1157-V1161 WeakPolarHBondContact O-CG2 3.35Å; I1157-V1161 PolarHBondContact O-N 2.81Å; I1157-L1166 HydrophobicContact CG2-CD2 3.96Å; I1157-A1171 HydrophobicContact CG2-CB 3.78Å; I1157-L1175 HydrophobicContact CB-CD2 4.45Å; I1157-L1175 HydrophobicContact CD1-CD2 4.5Å; I1157-L1175 HydrophobicContact CG2-CD1 4.01Å; I1157-L1175 HydrophobicContact CG2-CD2 4.13Å; I1157-L1175 HydrophobicContact CG2-CG 4.09Å
1158D95.3Very high95.1Very high29 Ų2931 Ų3116%0.15519%0.186CC..Hα-helixtrans-61.3-36.2177.4-70.8-32.1000110.9T1056 L1060 R1154 N1162 L1175T1056-D1158 WeakPolarHBondContact CB-OD2 3.41Å; T1056-D1158 WeakPolarHBondContact CG2-OD2 3.5Å; T1056-D1158 WeakPolarHBondContact OG1-CB 3.48Å; T1056-D1158 VanDerWaalsContact OG1-CG 3.26Å; T1056-D1158 PolarHBondContact OG1-OD2 3.03Å; L1060-D1158 HydrophobicContact CD1-CB 4.02Å; R1154-D1158 WeakPolarHBondContact CG-OD2 3.49Å; R1154-D1158 IonicContact NE-OD2 3.92Å; R1154-D1158 WeakPolarHBondContact O-CB 3.25Å; R1154-D1158 PolarHBondContact O-N 2.82Å; D1158-N1162 WeakPolarHBondContact O-CB 3.4Å; D1158-N1162 PolarHBondContact O-N 3.12Å; D1158-N1162 PolarHBondContact O-ND2 3.29Å; D1158-L1175 WeakPolarHBondContact OD1-CD1 3.07Å
1159F96.5Very high94.8Very high27 Ų2735.3 Ų35.312%0.11821%0.21CC..Hα-helixtrans-63.3-49169.4178.2-94.2000112.3L1060 T1113 L1116 A1117 A1155 I1156 I1157 V1161 N1162 S1163L1060-F1159 HydrophobicContact CD1-CB 4.34Å; L1060-F1159 HydrophobicContact CD2-CB 4.09Å; L1060-F1159 HydrophobicContact CD2-CD2 4.48Å; T1113-F1159 HydrophobicContact CG2-CB 3.85Å; T1113-F1159 HydrophobicContact CG2-CD1 3.65Å; T1113-F1159 HydrophobicContact CG2-CD2 3.66Å; T1113-F1159 HydrophobicContact CG2-CE1 4.06Å; T1113-F1159 HydrophobicContact CG2-CE2 4.06Å; T1113-F1159 HydrophobicContact CG2-CG 3.43Å; T1113-F1159 VanDerWaalsContact CG2-CG 3.43Å; T1113-F1159 HydrophobicContact CG2-CZ 4.25Å; T1113-F1159 WeakPolarHBondContact O-CE1 3.44Å; L1116-F1159 HydrophobicContact CB-CD1 4.48Å; L1116-F1159 HydrophobicContact CB-CE1 4.05Å; L1116-F1159 HydrophobicContact CD1-CD1 4.09Å; L1116-F1159 HydrophobicContact CD1-CE1 4.48Å; A1117-F1159 HydrophobicContact CB-CZ 4.28Å; A1155-F1159 WeakPolarHBondContact O-CB 3.16Å; A1155-F1159 PolarHBondContact O-N 2.8Å; I1156-F1159 PolarHBondContact O-N 2.64Å; I1157-F1159 PolarHBondContact O-N 2.88Å; F1159-V1161 VanDerWaalsContact C-N 3.3Å; F1159-V1161 PolarHBondContact O-N 3.07Å; F1159-N1162 PolarHBondContact O-N 3.07Å; F1159-N1162 VanDerWaalsContact O-N 3.12Å; F1159-S1163 WeakPolarHBondContact O-CB 3.4Å; F1159-S1163 PolarHBondContact O-N 3.02Å; F1159-S1163 PolarHBondContact O-OG 3.31Å; F1159-S1163 VanDerWaalsContact O-OG 3.1Å
1160A96.3Very high94.4Very high2 Ų240 Ų402%0.01723%0.23CC..Hα-helixtrans-60.6-36.718000000112.9P794 I1156 I1157 G1164 L1165 L1166P794-A1160 HydrophobicContact CB-CB 3.9Å; P794-A1160 HydrophobicContact CG-CB 4.03Å; I1156-A1160 WeakPolarHBondContact O-CB 3.43Å; I1156-A1160 PolarHBondContact O-N 2.95Å; I1157-A1160 PolarHBondContact O-N 2.85Å; I1157-A1160 VanDerWaalsContact O-N 3.08Å; A1160-G1164 PolarHBondContact O-N 3.43Å; A1160-L1165 HydrophobicContact CB-CB 4.33Å; A1160-L1165 PolarHBondContact O-N 3.34Å; A1160-L1166 HydrophobicContact CB-CB 4.07Å; A1160-L1166 PolarHBondContact O-N 3.09Å
1161V96Very high94.1Very high34 Ų3439.5 Ų39.521%0.20623%0.227CC..Hα-helixtrans-65.8-48.3172.1174.20000110.9I1157 F1159 S1163 G1164 L1166 A1171I1157-V1161 WeakPolarHBondContact O-CG2 3.35Å; I1157-V1161 PolarHBondContact O-N 2.81Å; F1159-V1161 VanDerWaalsContact C-N 3.3Å; F1159-V1161 PolarHBondContact O-N 3.07Å; V1161-S1163 VanDerWaalsContact C-N 3.26Å; V1161-S1163 PolarHBondContact O-N 3.14Å; V1161-G1164 PolarHBondContact O-N 2.82Å; V1161-L1166 HydrophobicContact CG2-CB 4.14Å; V1161-L1166 HydrophobicContact CG2-CD2 4.11Å; V1161-L1166 HydrophobicContact CG2-CG 4.15Å; V1161-A1171 HydrophobicContact CG2-CB 3.41Å; V1161-A1171 VanDerWaalsContact CG2-CB 3.41Å
1162N94.2Very high93.7Very high126 Ų12643.9 Ų43.967%0.67425%0.248SC*.Hα-helixtrans-63.6-30.3178.8-73.1-33.2000113.1D1158 F1159 G1164D1158-N1162 WeakPolarHBondContact O-CB 3.4Å; D1158-N1162 PolarHBondContact O-N 3.12Å; D1158-N1162 PolarHBondContact O-ND2 3.29Å; F1159-N1162 PolarHBondContact O-N 3.07Å; F1159-N1162 VanDerWaalsContact O-N 3.12Å; N1162-G1164 VanDerWaalsContact C-N 3.34Å
1163S93.6Very high93.1Very high62 Ų6249.7 Ų49.743%0.43428%0.275SS..THydrogen-bonded Turntrans-82.8-4.6173.9-58.90000114.1F1159 V1161 L1165F1159-S1163 WeakPolarHBondContact O-CB 3.4Å; F1159-S1163 PolarHBondContact O-N 3.02Å; F1159-S1163 PolarHBondContact O-OG 3.31Å; F1159-S1163 VanDerWaalsContact O-OG 3.1Å; V1161-S1163 VanDerWaalsContact C-N 3.26Å; V1161-S1163 PolarHBondContact O-N 3.14Å; S1163-L1165 VanDerWaalsContact C-N 3.3Å; S1163-L1165 PolarHBondContact O-N 3.03Å
1164G94.1Very high92.6Very high65 Ų6549.7 Ų49.767%0.6728%0.275SS*.THydrogen-bonded Turntrans75.211.8-178.600000115.3A1160 V1161 N1162 L1166A1160-G1164 PolarHBondContact O-N 3.43Å; V1161-G1164 PolarHBondContact O-N 2.82Å; N1162-G1164 VanDerWaalsContact C-N 3.34Å; G1164-L1166 VanDerWaalsContact C-N 3.33Å
1165L93Very high92.2Very high50 Ų5047.2 Ų47.226%0.26227%0.266SS..SBendtrans-80.4-14.2177.4-57.6177.7000112.8P794 L1116 A1160 S1163P794-L1165 HydrophobicContact CG-CB 4.12Å; L1116-L1165 HydrophobicContact CB-CD1 4.25Å; A1160-L1165 HydrophobicContact CB-CB 4.33Å; A1160-L1165 PolarHBondContact O-N 3.34Å; S1163-L1165 VanDerWaalsContact C-N 3.3Å; S1163-L1165 PolarHBondContact O-N 3.03Å
1166L93.4Very high91.7Very high10 Ų1051.1 Ų51.15%0.05229%0.287CS..SBendtrans-141.9139.2-176.3-177.459.4000111.3P794 V798 I1157 A1160 V1161 G1164 K1170 A1171P794-L1166 HydrophobicContact CB-CB 4.01Å; P794-L1166 HydrophobicContact CB-CD1 4.42Å; P794-L1166 HydrophobicContact CB-CD2 4.31Å; P794-L1166 HydrophobicContact CB-CG 4.48Å; V798-L1166 HydrophobicContact CG2-CD1 4.11Å; V798-L1166 HydrophobicContact CG2-CD2 3.66Å; V798-L1166 HydrophobicContact CG2-CG 4.47Å; I1157-L1166 HydrophobicContact CG2-CD2 3.96Å; A1160-L1166 HydrophobicContact CB-CB 4.07Å; A1160-L1166 PolarHBondContact O-N 3.09Å; V1161-L1166 HydrophobicContact CG2-CB 4.14Å; V1161-L1166 HydrophobicContact CG2-CD2 4.11Å; V1161-L1166 HydrophobicContact CG2-CG 4.15Å; G1164-L1166 VanDerWaalsContact C-N 3.33Å; L1166-K1170 HydrophobicContact CD1-CB 4.49Å; L1166-A1171 HydrophobicContact CD2-CB 3.88Å; L1166-A1171 HydrophobicContact CG-CB 4.23Å
1167D92.3Very high91Very high78 Ų7854.8 Ų54.842%0.41731%0.306SS..  trans-73.2130.6174.8177.877.2000111.6N1169 K1170 A1171D1167-N1169 VanDerWaalsContact C-N 3.27Å; D1167-N1169 PolarHBondContact O-N 3.27Å; D1167-N1169 PolarHBondContact OD1-ND2 2.88Å; D1167-N1169 WeakPolarHBondContact OD2-CA 3.38Å; D1167-N1169 WeakPolarHBondContact OD2-CB 3.48Å; D1167-N1169 PolarHBondContact OD2-N 3.41Å; D1167-N1169 PolarHBondContact OD2-ND2 3.5Å; D1167-K1170 HydrophobicContact CB-CG 4.28Å; D1167-K1170 PolarHBondContact O-N 3.22Å; D1167-K1170 PolarHBondContact OD2-N 3.29Å; D1167-A1171 PolarHBondContact O-N 3.2Å
1168S91.3Very high90.2Very high66 Ų6655.7 Ų55.746%0.46231%0.311SS..Hα-helixtrans-60.2-31-177.11740000113.8Q1172S1168-Q1172 WeakPolarHBondContact O-CB 3.23Å; S1168-Q1172 PolarHBondContact O-N 2.83Å
1169N89Confident88.9Confident112 Ų11257.6 Ų57.660%0.59933%0.326SS*.Hα-helixtrans-76.4-32.3-179.5-43.4-92.5000111.4D1167 Q1173D1167-N1169 VanDerWaalsContact C-N 3.27Å; D1167-N1169 PolarHBondContact O-N 3.27Å; D1167-N1169 PolarHBondContact OD1-ND2 2.88Å; D1167-N1169 WeakPolarHBondContact OD2-CA 3.38Å; D1167-N1169 WeakPolarHBondContact OD2-CB 3.48Å; D1167-N1169 PolarHBondContact OD2-N 3.41Å; D1167-N1169 PolarHBondContact OD2-ND2 3.5Å; N1169-Q1173 PolarHBondContact O-NE2 2.85Å
1170K87.4Confident86.5Confident99 Ų9961.4 Ų61.443%0.4335%0.351SS..Hα-helixtrans-66.9-51.5168.7-66.5-170-178.3-170.60110.8N795 L1166 D1167 Q1172 Q1173N795-K1170 PolarHBondContact OD1-NZ 2.91Å; L1166-K1170 HydrophobicContact CD1-CB 4.49Å; D1167-K1170 HydrophobicContact CB-CG 4.28Å; D1167-K1170 PolarHBondContact O-N 3.22Å; D1167-K1170 PolarHBondContact OD2-N 3.29Å; K1170-Q1172 VanDerWaalsContact C-N 3.3Å; K1170-Q1172 PolarHBondContact O-N 3.36Å; K1170-Q1173 PolarHBondContact O-N 2.98Å; K1170-Q1173 VanDerWaalsContact O-N 3.15Å
1171A90.1Very high83.7Confident3 Ų369.7 Ų69.73%0.02539%0.39CS..Hα-helixtrans-54.5-45.7-179.100000112I1157 V1161 L1166 D1167 Q1173 A1174 L1175I1157-A1171 HydrophobicContact CG2-CB 3.78Å; V1161-A1171 HydrophobicContact CG2-CB 3.41Å; V1161-A1171 VanDerWaalsContact CG2-CB 3.41Å; L1166-A1171 HydrophobicContact CD2-CB 3.88Å; L1166-A1171 HydrophobicContact CG-CB 4.23Å; D1167-A1171 PolarHBondContact O-N 3.2Å; A1171-Q1173 VanDerWaalsContact C-N 3.3Å; A1171-Q1173 PolarHBondContact O-N 3.4Å; A1171-A1174 PolarHBondContact O-N 2.65Å; A1171-L1175 WeakPolarHBondContact O-CB 3.38Å; A1171-L1175 VanDerWaalsContact O-CG 3.27Å; A1171-L1175 WeakPolarHBondContact O-CG 3.41Å; A1171-L1175 PolarHBondContact O-N 3.18Å
1172Q88.1Confident80.8Confident97 Ų9772.9 Ų72.945%0.45341%0.414SS..Hα-helixtrans-58.7-38.5-179.4-167.764.654.400112.9S1168 K1170 L1175 D1176S1168-Q1172 WeakPolarHBondContact O-CB 3.23Å; S1168-Q1172 PolarHBondContact O-N 2.83Å; K1170-Q1172 VanDerWaalsContact C-N 3.3Å; K1170-Q1172 PolarHBondContact O-N 3.36Å; Q1172-L1175 PolarHBondContact O-N 3.12Å; Q1172-D1176 PolarHBondContact NE2-OD1 3.17Å; Q1172-D1176 WeakPolarHBondContact O-CB 3.38Å; Q1172-D1176 PolarHBondContact O-N 3.37Å
1173Q83Confident77.6Confident122 Ų12274.6 Ų74.657%0.5742%0.423SS*.Hα-helixtrans-63.9-45.9-179.4-74.8166.98900111.9N1169 K1170 A1171 L1177N1169-Q1173 PolarHBondContact O-NE2 2.85Å; K1170-Q1173 PolarHBondContact O-N 2.98Å; K1170-Q1173 VanDerWaalsContact O-N 3.15Å; A1171-Q1173 VanDerWaalsContact C-N 3.3Å; A1171-Q1173 PolarHBondContact O-N 3.4Å; Q1173-L1177 PolarHBondContact O-N 2.81Å
1174A86Confident74.6Confident0 Ų076.2 Ų76.20%044%0.44CS..Hα-helixtrans-68-36173.400000113V798 I801 E802 A1171 L1177V798-A1174 HydrophobicContact CB-CB 4.35Å; V798-A1174 HydrophobicContact CG1-CB 3.91Å; V798-A1174 HydrophobicContact CG2-CB 4.31Å; I801-A1174 HydrophobicContact CB-CB 4.07Å; I801-A1174 HydrophobicContact CD1-CB 4.46Å; I801-A1174 HydrophobicContact CG2-CB 3.88Å; I801-A1174 WeakPolarHBondContact CG2-O 3.08Å; E802-A1174 HydrophobicContact CG-CB 4.25Å; A1171-A1174 PolarHBondContact O-N 2.65Å; A1174-L1177 PolarHBondContact O-N 3.29Å
1175L87.4Confident71.7Confident9 Ų982 Ų825%0.04745%0.45CS..Hα-helixtrans-69.8-32.6177.5-69.2-178.4000112.9R1154 I1157 D1158 A1171 Q1172 L1177 L1178 C1179R1154-L1175 HydrophobicContact CB-CD2 4.02Å; R1154-L1175 HydrophobicContact CG-CD2 3.72Å; I1157-L1175 HydrophobicContact CB-CD2 4.45Å; I1157-L1175 HydrophobicContact CD1-CD2 4.5Å; I1157-L1175 HydrophobicContact CG2-CD1 4.01Å; I1157-L1175 HydrophobicContact CG2-CD2 4.13Å; I1157-L1175 HydrophobicContact CG2-CG 4.09Å; D1158-L1175 WeakPolarHBondContact OD1-CD1 3.07Å; A1171-L1175 WeakPolarHBondContact O-CB 3.38Å; A1171-L1175 VanDerWaalsContact O-CG 3.27Å; A1171-L1175 WeakPolarHBondContact O-CG 3.41Å; A1171-L1175 PolarHBondContact O-N 3.18Å; Q1172-L1175 PolarHBondContact O-N 3.12Å; L1175-L1177 VanDerWaalsContact C-N 3.34Å; L1175-L1178 HydrophobicContact CD2-CD1 4.4Å; L1175-L1178 PolarHBondContact O-N 3.45Å; L1175-L1178 VanDerWaalsContact O-N 3.13Å; L1175-C1179 PolarHBondContact O-N 2.8Å; L1175-C1179 PolarHBondContact O-SG 3.11Å
1176D85.4Confident68.7Low81 Ų8186.1 Ų86.143%0.43348%0.477SS..Hα-helixtrans-63.8-40.3175.1-72.9-17.5000110.7Q1172 L1178 C1179Q1172-D1176 PolarHBondContact NE2-OD1 3.17Å; Q1172-D1176 WeakPolarHBondContact O-CB 3.38Å; Q1172-D1176 PolarHBondContact O-N 3.37Å; D1176-L1178 PolarHBondContact O-N 2.96Å; D1176-C1179 PolarHBondContact O-N 3.45Å
1177L82.1Confident65.7Low78 Ų7890.6 Ų90.641%0.40851%0.509SS..Hα-helixtrans-60.9-21.4173.5-64.2174.1000113.7E802 Q1173 A1174 L1175E802-L1177 HydrophobicContact CB-CD1 4.5Å; E802-L1177 HydrophobicContact CG-CD1 4.16Å; Q1173-L1177 PolarHBondContact O-N 2.81Å; A1174-L1177 PolarHBondContact O-N 3.29Å; L1175-L1177 VanDerWaalsContact C-N 3.34Å
1178L80.2Confident63Low19 Ų1992.9 Ų92.910%0.09953%0.532CS..THydrogen-bonded Turntrans-90.8-3.8175.2-61.8179.9000113.5I801 L806 L809 V1150 L1175 D1176I801-L1178 HydrophobicContact CD1-CD1 4.06Å; I801-L1178 HydrophobicContact CG1-CD1 4.47Å; I801-L1178 HydrophobicContact CG2-CD1 4.05Å; I801-L1178 HydrophobicContact CG2-CD2 3.92Å; I801-L1178 HydrophobicContact CG2-CG 3.83Å; L806-L1178 HydrophobicContact CB-CD2 4.39Å; L806-L1178 HydrophobicContact CD1-CD2 4.33Å; L809-L1178 HydrophobicContact CD1-CD2 3.79Å; V1150-L1178 HydrophobicContact CG1-CB 4.36Å; V1150-L1178 HydrophobicContact CG1-CD1 4.09Å; V1150-L1178 HydrophobicContact CG1-CD2 4.04Å; V1150-L1178 HydrophobicContact CG1-CG 4.4Å; L1175-L1178 HydrophobicContact CD2-CD1 4.4Å; L1175-L1178 PolarHBondContact O-N 3.45Å; L1175-L1178 VanDerWaalsContact O-N 3.13Å; D1176-L1178 PolarHBondContact O-N 2.96Å
1179C68Low60.1Low69 Ų6995.3 Ų95.347%0.46655%0.549SS..THydrogen-bonded Turntrans-108-9.9-176.6-65.50000114.2L1175 D1176 E1181L1175-C1179 PolarHBondContact O-N 2.8Å; L1175-C1179 PolarHBondContact O-SG 3.11Å; D1176-C1179 PolarHBondContact O-N 3.45Å; C1179-E1181 PolarHBondContact O-N 2.86Å
1180T45Very low57.4Low107 Ų10796 Ų9666%0.65656%0.562SS**THydrogen-bonded Turntrans-80.174.1-170.2490000114.9
1181E38.9Very low54.4Low177 Ų17797.1 Ų97.183%0.82758%0.582SS**THydrogen-bonded Turntrans-147.911.6161.1-138.2177-132.600115.2C1179C1179-E1181 PolarHBondContact O-N 2.86Å
1182S33.9Very low51.6Low101 Ų101103.4 Ų103.471%0.70662%0.62SS**SBendtrans-102.9-38.9-172.2-60.70000116.9
1183D28.4Very low48.8Very low161 Ų161106.7 Ų106.786%0.86164%0.64SS**  trans-136.355.7-160.5-76-75.1000114.7
1184A30Very low46.1Very low97 Ų97106.3 Ų106.380%0.80265%0.648SS**  trans-117.587.4-17700000114.9
1185Q32.7Very low43.3Very low186 Ų186114.1 Ų114.187%0.86969%0.69SS**  trans55.5120148-56.3-171.219.100121.5S1187Q1185-S1187 PolarHBondContact O-N 3.28Å
1186T30.1Very low40.5Very low137 Ų137119.3 Ų119.384%0.8473%0.727SS**  trans-66.4117.1154.751.20000112.2
1187S30.4Very low37.8Very low103 Ų103119.5 Ų119.572%0.7273%0.734SS**  trans161.9160.4133.656.90000113.2Q1185Q1185-S1187 PolarHBondContact O-N 3.28Å
1188S35.1Very low35.3Very low127 Ų127123.8 Ų123.889%0.88875%0.75SS**  trans67.4165.4-174.980.30000114.9
1189S30.5Very low32.7Very low117 Ų117128.6 Ų128.682%0.81877%0.768SS**  trans-146.1110.9-155.656.90000113.9
1190S31.7Very low30.9Very low127 Ų127129.4 Ų129.489%0.88877%0.765SS**  trans-153.8157.1160.350.20000108.8
1191S26.3Very low30.1Very low121 Ų121126.3 Ų126.385%0.84675%0.747SS**  trans-11595.9-153.854.50000114.7
1192V30.1Very low29.8Very low135 Ų135121.9 Ų121.982%0.81873%0.733SS**  trans-138.8125.5155.2-173.80000107.8
1193L28.6Very low29.9Very low166 Ų166117.4 Ų117.487%0.86970%0.701SS**  trans-103117.5172.2-82.2168000109.1
1194P28.2Very low30Very low114 Ų114110.9 Ų110.974%0.7467%0.666SS**  trans-63.6139.4170.9-21.333.6000111.3S1196P1194-S1196 PolarHBondContact O-N 3.38Å
1195N26.9Very low30.1Very low165 Ų165109.2 Ų109.288%0.88265%0.647SS**  trans-71.194.4177.6-85.3-49.8000111S1197N1195-S1197 PolarHBondContact O-N 2.69Å
1196S28.2Very low30.2Very low117 Ų117102.9 Ų102.982%0.81862%0.615SS**  trans-60.5100.8167.856.60000110.4P1194P1194-S1196 PolarHBondContact O-N 3.38Å
1197S29.4Very low30.2Very low85 Ų8598.6 Ų98.659%0.59459%0.59SS**  trans-67.6146.8-172.457.30000111.9N1195 Y1199N1195-S1197 PolarHBondContact O-N 2.69Å; S1197-Y1199 PolarHBondContact O-N 3.4Å
1198F27.9Very low30.3Very low168 Ų168100.9 Ų100.974%0.73759%0.587SS**  trans-70.995.7-175.1-99.6-108000111.2Q1200F1198-Q1200 PolarHBondContact O-N 3.06Å
1199Y27Very low30Very low120 Ų120100.9 Ų100.947%0.47158%0.584SS.*  trans-65.269.8172.1-87.2-85.6000113.2H1050 S1147 S1197H1050-Y1199 PolarHBondContact CE1-O 2.81Å; H1050-Y1199 PolarHBondContact ND1-O 2.87Å; S1147-Y1199 PolarHBondContact OG-OH 3.27Å; S1197-Y1199 PolarHBondContact O-N 3.4Å
1200Q29.5Very low30.1Very low87 Ų8797.6 Ų97.641%0.40757%0.568SS.*SBendtrans-97.7153.6157.4-68.9-160.636.900110.1F1198 T1202F1198-Q1200 PolarHBondContact O-N 3.06Å; Q1200-T1202 PolarHBondContact O-N 2.85Å; Q1200-T1202 VanDerWaalsContact O-N 3.11Å
1201S29.4Very low30.4Very low42 Ų4295.5 Ų95.529%0.29455%0.547SS..  trans-61.3113.3161.7-47.30000108K958 S1203K958-S1201 PolarHBondContact NZ-OG 3.26Å; S1201-S1203 PolarHBondContact O-N 2.83Å
1202T31Very low30.7Very low84 Ų8495.7 Ų95.752%0.51554%0.537SS..SBendtrans-73.429-174.150.60000114Q1144 Q1200Q1144-T1202 PolarHBondContact NE2-OG1 2.84Å; Q1200-T1202 PolarHBondContact O-N 2.85Å; Q1200-T1202 VanDerWaalsContact O-N 3.11Å
1203S36.4Very low30.7Very low7 Ų792.3 Ų92.35%0.04952%0.516CS..SBendtrans-120.9125.3177.457.70000110.9Y839 D841 S1201 P1205Y839-S1203 VanDerWaalsContact CD1-C 3.5Å; Y839-S1203 WeakPolarHBondContact CD1-O 3.49Å; Y839-S1203 WeakPolarHBondContact CD1-OG 3.48Å; Y839-S1203 VanDerWaalsContact CE1-O 3.23Å; Y839-S1203 WeakPolarHBondContact CE1-O 3.3Å; Y839-S1203 VanDerWaalsContact CE1-OG 3.22Å; Y839-S1203 WeakPolarHBondContact CE1-OG 3.3Å; D841-S1203 WeakPolarHBondContact OD2-CA 3.46Å; S1201-S1203 PolarHBondContact O-N 2.83Å; S1203-P1205 VanDerWaalsContact O-CD 3.25Å; S1203-P1205 WeakPolarHBondContact O-CD 3.33Å
1204L30.3Very low30.9Very low24 Ų2489.2 Ų89.213%0.12650%0.501CS..  trans-77.8109.7-167.7-81.5162.7000112D202 D841 R1206D202-L1204 HydrophobicContact CB-CD2 4.06Å; D841-L1204 PolarHBondContact OD1-N 2.87Å; D841-L1204 VanDerWaalsContact OD2-CB 3.31Å; D841-L1204 WeakPolarHBondContact OD2-CB 3.07Å; D841-L1204 PolarHBondContact OD2-N 3.21Å; L1204-R1206 PolarHBondContact O-N 2.92Å
1205P33.3Very low31.1Very low61 Ų6191.8 Ų91.840%0.39650%0.497SS..BIsolated β-bridgetrans-71.4132.3176.930.8-33.7000109.7R175 Y839 S1203R175-P1205 PolarHBondContact NH2-O 3.28Å; Y839-P1205 HydrophobicContact CE1-CB 4.36Å; S1203-P1205 VanDerWaalsContact O-CD 3.25Å; S1203-P1205 WeakPolarHBondContact O-CD 3.33Å
1206R34.6Very low31.3Very low53 Ų5388.4 Ų88.420%0.248%0.478CS..  trans-47.8136.3-174.9-64.4-170.5-64.1-146.411.3113R834 S835 N837 E928 L1204 F1208R834-R1206 PolarHBondContact O-NH1 2.99Å; S835-R1206 PolarHBondContact O-NH1 2.87Å; S835-R1206 PolarHBondContact O-NH2 3.25Å; N837-R1206 VanDerWaalsContact C-NH1 3.34Å; N837-R1206 VanDerWaalsContact O-CD 3.27Å; N837-R1206 WeakPolarHBondContact O-CD 3.42Å; N837-R1206 PolarHBondContact O-NH1 2.78Å; E928-R1206 IonicContact OE2-NH2 3.52Å; E928-R1206 PolarHBondContact OE2-NH2 3.32Å; L1204-R1206 PolarHBondContact O-N 2.92Å; R1206-F1208 PolarHBondContact O-N 3.21Å; R1206-F1208 VanDerWaalsContact O-N 3.13Å
1207P29.7Very low31.5Very low47 Ų4787.8 Ų87.831%0.30547%0.465SS..  trans-68.8105.3164.428.4-31.6000109.4Y205 P1209Y205-P1207 HydrophobicContact CD1-CG 4.41Å; Y205-P1207 HydrophobicContact CE1-CG 4.42Å; P1207-P1209 WeakPolarHBondContact O-CD 3.45Å
1208F32.8Very low31.7Very low152 Ų15289 Ų8967%0.66747%0.465SS*.  trans-64.3125.1180-84.9-88.5000113.2R1206 L1211R1206-F1208 PolarHBondContact O-N 3.21Å; R1206-F1208 VanDerWaalsContact O-N 3.13Å; F1208-L1211 HydrophobicContact CD1-CD1 4.18Å; F1208-L1211 HydrophobicContact CE1-CD1 3.89Å
1209P29.2Very low32Very low127 Ų12783.7 Ų83.783%0.82545%0.447SS*.  trans-123.996.4168.729.9-8.1000110.8P1207P1207-P1209 WeakPolarHBondContact O-CD 3.45Å
1210G32.6Very low32.1Very low47 Ų4781.6 Ų81.649%0.48545%0.454SS..SBendtrans151.7-52.4168.400000116.3I1212 T1213G1210-I1212 VanDerWaalsContact C-N 3.26Å; G1210-I1212 PolarHBondContact O-N 3.09Å; G1210-T1213 PolarHBondContact O-N 3.13Å; G1210-T1213 PolarHBondContact O-OG1 3.26Å
1211L37.7Very low32.4Very low83 Ų8381.4 Ų81.444%0.43546%0.463SS..THydrogen-bonded Turntrans-59.6-24.2-162.2-98.1163.2000116.5F1208 T1213 N1214 Y1215F1208-L1211 HydrophobicContact CD1-CD1 4.18Å; F1208-L1211 HydrophobicContact CE1-CD1 3.89Å; L1211-T1213 PolarHBondContact O-N 2.86Å; L1211-T1213 VanDerWaalsContact O-N 3.14Å; L1211-N1214 PolarHBondContact O-N 2.96Å; L1211-Y1215 WeakPolarHBondContact O-CB 3.37Å; L1211-Y1215 PolarHBondContact O-N 3.31Å
1212I31.5Very low32.7Very low126 Ų12682.7 Ų82.765%0.64647%0.468SS*.Hα-helixtrans-57-30.3178.5-65.8174.9000112G1210 I1216G1210-I1212 VanDerWaalsContact C-N 3.26Å; G1210-I1212 PolarHBondContact O-N 3.09Å; I1212-I1216 HydrophobicContact CG2-CD1 3.67Å; I1212-I1216 HydrophobicContact CG2-CG1 4.38Å; I1212-I1216 WeakPolarHBondContact O-CB 3.46Å; I1212-I1216 VanDerWaalsContact O-CG1 3.27Å; I1212-I1216 WeakPolarHBondContact O-CG1 3.14Å; I1212-I1216 PolarHBondContact O-N 2.76Å
1213T30.6Very low32.6Very low63 Ų6385 Ų8539%0.38748%0.477SS..Hα-helixtrans-73.3-34.9-176.5-31.40000112.8K214 G1210 L1211 N1217K214-T1213 PolarHBondContact NZ-OG1 2.79Å; K214-T1213 VanDerWaalsContact NZ-OG1 3.1Å; G1210-T1213 PolarHBondContact O-N 3.13Å; G1210-T1213 PolarHBondContact O-OG1 3.26Å; L1211-T1213 PolarHBondContact O-N 2.86Å; L1211-T1213 VanDerWaalsContact O-N 3.14Å; T1213-N1217 PolarHBondContact O-ND2 3.11Å
1214N33.9Very low32.2Very low102 Ų10289.2 Ų89.255%0.54551%0.506SS..Hα-helixtrans-85.2-41.9177.4-6614.3000110.6L1211 I1216 N1217 D1218L1211-N1214 PolarHBondContact O-N 2.96Å; N1214-I1216 PolarHBondContact O-N 2.88Å; N1214-I1216 VanDerWaalsContact O-N 3.11Å; N1214-N1217 PolarHBondContact O-N 2.9Å; N1214-D1218 PolarHBondContact O-N 3.05Å
1215Y31Very low32.3Very low168 Ų16893.7 Ų93.766%0.65954%0.54SS*.Hα-helixtrans-60.5-24178.8-156.8-93.6000113.1L1211 V1219L1211-Y1215 WeakPolarHBondContact O-CB 3.37Å; L1211-Y1215 PolarHBondContact O-N 3.31Å; Y1215-V1219 HydrophobicContact CD1-CG2 4.14Å; Y1215-V1219 HydrophobicContact CE1-CG2 4.09Å; Y1215-V1219 VanDerWaalsContact O-CB 3.25Å; Y1215-V1219 WeakPolarHBondContact O-CB 3.43Å; Y1215-V1219 WeakPolarHBondContact O-CG2 3.41Å; Y1215-V1219 PolarHBondContact O-N 3.15Å
1216I31.7Very low32Very low93 Ų9396 Ų9648%0.47756%0.557SS.*Hα-helixtrans-77.8-36.6171.7-73.3172.7000112I1212 N1214 V1219 A1220I1212-I1216 HydrophobicContact CG2-CD1 3.67Å; I1212-I1216 HydrophobicContact CG2-CG1 4.38Å; I1212-I1216 WeakPolarHBondContact O-CB 3.46Å; I1212-I1216 VanDerWaalsContact O-CG1 3.27Å; I1212-I1216 WeakPolarHBondContact O-CG1 3.14Å; I1212-I1216 PolarHBondContact O-N 2.76Å; N1214-I1216 PolarHBondContact O-N 2.88Å; N1214-I1216 VanDerWaalsContact O-N 3.11Å; I1216-V1219 PolarHBondContact O-N 2.92Å; I1216-A1220 WeakPolarHBondContact O-CB 3.35Å; I1216-A1220 PolarHBondContact O-N 3.02Å
1217N32.7Very low31.9Very low104 Ų10498.7 Ų98.756%0.55658%0.584SS**Hα-helixtrans-71.4-38.5179.7-68.8-19.3000112.2T1213 N1214 V1219 S1221T1213-N1217 PolarHBondContact O-ND2 3.11Å; N1214-N1217 PolarHBondContact O-N 2.9Å; N1217-V1219 VanDerWaalsContact C-N 3.32Å; N1217-V1219 PolarHBondContact O-N 3.34Å; N1217-S1221 PolarHBondContact O-N 3.08Å; N1217-S1221 PolarHBondContact O-OG 3.03Å
1218D34Very low31.8Very low111 Ų111102.3 Ų102.359%0.59461%0.606SS**Hα-helixtrans-73.2-23.4177.6-60.3-33.2000112.7N1214 S1221 T1222N1214-D1218 PolarHBondContact O-N 3.05Å; D1218-S1221 PolarHBondContact O-OG 2.72Å; D1218-T1222 WeakPolarHBondContact O-CG2 3.43Å; D1218-T1222 PolarHBondContact O-OG1 3.12Å
1219V33.3Very low31.5Very low57 Ų57104.4 Ų104.435%0.34562%0.615SS.*Hα-helixtrans-95.8-32.4179.1174.50000112.8Y1215 I1216 N1217 S1221 T1222 L1223Y1215-V1219 HydrophobicContact CD1-CG2 4.14Å; Y1215-V1219 HydrophobicContact CE1-CG2 4.09Å; Y1215-V1219 VanDerWaalsContact O-CB 3.25Å; Y1215-V1219 WeakPolarHBondContact O-CB 3.43Å; Y1215-V1219 WeakPolarHBondContact O-CG2 3.41Å; Y1215-V1219 PolarHBondContact O-N 3.15Å; I1216-V1219 PolarHBondContact O-N 2.92Å; N1217-V1219 VanDerWaalsContact C-N 3.32Å; N1217-V1219 PolarHBondContact O-N 3.34Å; V1219-S1221 VanDerWaalsContact C-N 3.31Å; V1219-S1221 PolarHBondContact O-N 3.26Å; V1219-T1222 WeakPolarHBondContact CA-OG1 3.47Å; V1219-T1222 PolarHBondContact O-N 3.49Å; V1219-T1222 PolarHBondContact O-OG1 2.94Å; V1219-L1223 HydrophobicContact CG1-CD1 3.74Å
1220A30Very low31.3Very low76 Ų76108.1 Ų108.163%0.62861%0.612SS**Hα-helixtrans-69.9-28.4176.600000112.9I1216I1216-A1220 WeakPolarHBondContact O-CB 3.35Å; I1216-A1220 PolarHBondContact O-N 3.02Å
1221S34.9Very low31Very low83 Ų83116.1 Ų116.158%0.5863%0.63SS**THydrogen-bonded Turntrans-78.8-17.1177.350.80000113.9N1217 D1218 V1219N1217-S1221 PolarHBondContact O-N 3.08Å; N1217-S1221 PolarHBondContact O-OG 3.03Å; D1218-S1221 PolarHBondContact O-OG 2.72Å; V1219-S1221 VanDerWaalsContact C-N 3.31Å; V1219-S1221 PolarHBondContact O-N 3.26Å
1222T34.7Very low30.6Very low68 Ų68118.8 Ų118.842%0.41764%0.64SS.*THydrogen-bonded Turntrans-112.2-0.3-167.349.50000115.3D1218 V1219D1218-T1222 WeakPolarHBondContact O-CG2 3.43Å; D1218-T1222 PolarHBondContact O-OG1 3.12Å; V1219-T1222 WeakPolarHBondContact CA-OG1 3.47Å; V1219-T1222 PolarHBondContact O-N 3.49Å; V1219-T1222 PolarHBondContact O-OG1 2.94Å
1223L29.7Very low30.3Very low134 Ų134122.7 Ų122.770%0.70265%0.646SS**  trans-115.719.9-178.3-78.8167.8000114.9V1219V1219-L1223 HydrophobicContact CG1-CD1 3.74Å
1224S29.1Very low30.1Very low94 Ų94126.1 Ų126.166%0.65766%0.662SS**  trans-83.7146.1164.975.40000111.1
1225S30.7Very low29.9Very low118 Ų118129.4 Ų129.483%0.82568%0.678SS**SBendtrans68.5138.7-168.479.50000115.2
1226S28.7Very low29.8Very low110 Ų110124.4 Ų124.477%0.76968%0.677SS**  trans-142.5144.8-166-46.60000113
1227S31.3Very low29.7Very low110 Ų110125.1 Ų125.177%0.76969%0.691SS**  trans-179.9113.2137.830.90000109.8
1228T27.8Very low29.5Very low122 Ų122127.1 Ų127.175%0.74870%0.701SS**  73.910682.2-60.50000114.1
1229F27Very low29.4Very low197 Ų197129.2 Ų129.286%0.86472%0.718SS**  trans-150.3141.7139.7-115.1-75.7000111.9
1230R24.3Very low29.1Very low205 Ų205132.5 Ų132.577%0.77474%0.739SS**  trans-117.3148.1175.1-55.9171.9-179.4156.1-2.2109
1231Y25.7Very low29.1Very low215 Ų215135 Ų13584%0.84375%0.746SS**  trans-163.8129.4141.5-102.1-78.5000107.8
1232H29.4Very low28.8Very low139 Ų139136.6 Ų136.664%0.64475%0.753SS**  cis100111.533.3-104.8-56.7000116.2
1233R26.2Very low28.6Very low207 Ų207139.2 Ų139.278%0.78177%0.769SS**  trans76.3126.2137.8-94.9-172.2166159.4-1.5124.3
1234N26.7Very low28.7Very low136 Ų136137.3 Ų137.373%0.72777%0.767SS**  56.8124.3125.7-66.722.5000124.1
1235I28.5Very low28.7Very low170 Ų170139.4 Ų139.487%0.87278%0.776SS**  trans-138.5147.9135.1-61.2-175.6000106
1236G28.6Very low28.9Very low63 Ų63139.5 Ų139.565%0.64977%0.774SS**  cis-174.3-39.7-800000116.5
1237S30.4Very low29Very low108 Ų108140.9 Ų140.976%0.75578%0.778SS**  trans-159.6154.3-162.943.90000113.6
1238N29.3Very low28.7Very low147 Ų147140.1 Ų140.179%0.78677%0.772SS**  cis131.2110.4-4.8-91.5-10.8000109.8
1239T30.4Very low28.7Very low154 Ų154138.7 Ų138.795%0.94577%0.767SS**  trans-150.9136.3148.211.70000110.5
1240T27.7Very low28.7Very low126 Ų126135.9 Ų135.977%0.77376%0.761SS**  trans-117.9141.7-170.9480000112.7
1241T30.8Very low29Very low128 Ų128133.2 Ų133.279%0.78576%0.762SS**  trans-175116.3143.230.10000108.2
1242T28.3Very low29.2Very low118 Ų118128.2 Ų128.272%0.72476%0.759SS**  56.7132.987.164.70000114
1243T30.5Very low29.2Very low122 Ų122127.6 Ų127.675%0.74877%0.767SS**  cis-166.4171.719.2-8.30000112.3
1244S32Very low29.1Very low95 Ų95124.9 Ų124.966%0.66477%0.767SS**  trans58.4116.2156.351.10000119.4
1245T28.6Very low29.1Very low138 Ų138125 Ų12585%0.84777%0.773SS**  97.2147.951.556.40000114.8
1246P34.5Very low28.9Very low120 Ų120122.6 Ų122.678%0.77977%0.766SS**  trans-124.6161.2-144.342.4-30.6000117.9
1247T30.1Very low28.7Very low139 Ų139124.5 Ų124.585%0.85377%0.769SS**  trans-176.1157.1160.435.80000108.7
1248S26.8Very low28.5Very low93 Ų93125.7 Ų125.765%0.6577%0.772SS**  cis177.9143-27.452.60000109.6
1249S26.2Very low28.2Very low93 Ų93123.4 Ų123.465%0.6577%0.767SS**  trans68.6151.3152.475.50000122.1
1250N27.3Very low27.9Very low137 Ų137124.5 Ų124.573%0.73376%0.764SS**  trans67.6115.1149.3-61.2-5.8000118.2
1251N31Very low27.7Very low150 Ų150127.1 Ų127.180%0.80277%0.77SS**  cis-169153.440.1-83.8-38.3000112.7
1252S30.2Very low27.5Very low109 Ų109126.9 Ų126.976%0.76277%0.773SS**  trans-80.2167.2157.4-41.50000111
1253P29.9Very low27.3Very low126 Ų126126.3 Ų126.382%0.81877%0.774SS**  -149.2178.290.140.2-23000116
1254L23.4Very low26.9Very low151 Ų151128 Ų12879%0.79178%0.778SS**  trans-74.9146.6175-65.762.4000112.7
1255V26.8Very low26.6Very low138 Ų138128.9 Ų128.984%0.83679%0.785SS**  trans-149.1103.5137.7-1790000105.3
1256T25Very low26.4Very low119 Ų119127.1 Ų127.173%0.7378%0.778SS**  78.1128.979.7-520000114.1
1257S23.7Very low25.9Very low103 Ų103125.2 Ų125.272%0.7277%0.767SS**  trans-59.8153.1-174.753.60000117.1
1258V25.9Very low25.7Very low134 Ų134122.9 Ų122.981%0.81275%0.749SS**  trans-126.9133.8135.51780000108M1260V1258-M1260 HydrophobicContact CG1-CG 4.35Å
1259S22.6Very low25.6Very low98 Ų98125.5 Ų125.569%0.68576%0.756SS**  trans-108.5141.1164.3174.90000107.7
1260M25.6Very low25.7Very low177 Ų177128.6 Ų128.687%0.87276%0.76SS**  trans-131.3135.9160.3-75.6-161.1167.600109.3V1258V1258-M1260 HydrophobicContact CG1-CG 4.35Å
1261M23Very low26Very low182 Ų182129.9 Ų129.990%0.89776%0.761SS**  trans-99.2132.1-179.6-62.2163.463.500108.6
1262S26.4Very low26.1Very low123 Ų123128.5 Ų128.586%0.8676%0.763SS**  trans-135.6131.9158.851.30000107.5
1263S23.5Very low26.6Very low105 Ų105131.4 Ų131.473%0.73476%0.757SS**  trans-99.5160.4-164.548.60000113.2
1264N23.5Very low27.4Very low157 Ų157127.6 Ų127.684%0.8473%0.734SS**  trans62.790.7161.1-60.216.9000117.1
1265S25.5Very low28.3Very low115 Ų115121.6 Ų121.680%0.80470%0.704SS**  -146.5118.8129.739.30000107.4
1266S23.3Very low29.3Very low100 Ų100115.4 Ų115.470%0.69967%0.665SS**  trans-85.6116170.626.30000107.9
1267S25.1Very low30.8Very low81 Ų81112.8 Ų112.857%0.56665%0.645SS**  trans-152.3133.8160.956.30000112.1D774 N1269D774-S1267 VanDerWaalsContact OD1-CA 3.3Å; D774-S1267 WeakPolarHBondContact OD1-CA 3.25Å; D774-S1267 WeakPolarHBondContact OD1-CB 3.38Å; S1267-N1269 PolarHBondContact O-N 3.16Å
1268L24.8Very low32.3Very low89 Ų89112.1 Ų112.147%0.46663%0.63SS.*  trans11.667.5164.6-70.3153.3000120D774 H1270D774-L1268 HydrophobicContact CB-CD1 4.32Å; D774-L1268 WeakPolarHBondContact OD2-CG 3.3Å; L1268-H1270 VanDerWaalsContact C-N 3.27Å; L1268-H1270 PolarHBondContact O-N 2.88Å
1269N25.9Very low33.8Very low148 Ų148105.8 Ų105.879%0.79159%0.592SS**  trans-73.676.7164.1-119-71.8000111.6S1267 H1271S1267-N1269 PolarHBondContact O-N 3.16Å; N1269-H1271 VanDerWaalsContact C-N 3.29Å; N1269-H1271 PolarHBondContact O-N 2.9Å
1270H28Very low35.7Very low158 Ų158101.2 Ų101.273%0.73156%0.56SS**  trans-70.672.6-173.7-113.2-59.1000113.9L1268 S1272L1268-H1270 VanDerWaalsContact C-N 3.27Å; L1268-H1270 PolarHBondContact O-N 2.88Å; H1270-S1272 PolarHBondContact O-N 2.9Å; H1270-S1272 VanDerWaalsContact O-N 3.12Å
1271H33Very low37.5Very low164 Ų16494 Ų9476%0.75953%0.528SS*.  trans-56.7115.2169.1-97.37.6000110.8N1269 R1273N1269-H1271 VanDerWaalsContact C-N 3.29Å; N1269-H1271 PolarHBondContact O-N 2.9Å; H1271-R1273 PolarHBondContact O-N 2.76Å
1272S33Very low39.3Very low121 Ų12187.6 Ų87.685%0.84650%0.497SS*.  trans-47.684.7-169.549.20000115.8H1270 S1274H1270-S1272 PolarHBondContact O-N 2.9Å; H1270-S1272 VanDerWaalsContact O-N 3.12Å; S1272-S1274 PolarHBondContact O-N 3.42Å
1273R41.1Very low41.2Very low171 Ų17182 Ų8265%0.64546%0.458SS*.  trans-61.2132.6162.9-75.7-175.5173.1174.71.2108.3H1271H1271-R1273 PolarHBondContact O-N 2.76Å
1274S46.1Very low43.3Very low46 Ų4677.8 Ų77.832%0.32243%0.428SS..  trans-76.7142.2175.670.70000109.6S1272 F1276 H1277 E1278S1272-S1274 PolarHBondContact O-N 3.42Å; S1274-F1276 PolarHBondContact O-N 2.98Å; S1274-H1277 WeakPolarHBondContact O-CA 3.38Å; S1274-H1277 VanDerWaalsContact O-CB 3.24Å; S1274-H1277 WeakPolarHBondContact O-CB 3.46Å; S1274-H1277 PolarHBondContact O-N 2.75Å; S1274-H1277 PolarHBondContact OG-N 2.76Å; S1274-E1278 PolarHBondContact O-N 2.64Å
1275P43.2Very low45.2Very low25 Ų2574.6 Ų74.616%0.16242%0.416CS..Hα-helixtrans-58.5-20.4177.9-27.334000115.1I196 R197 E1278 L1279I196-P1275 HydrophobicContact CG2-CB 4.24Å; R197-P1275 HydrophobicContact CB-CG 4.08Å; P1275-E1278 WeakPolarHBondContact CA-OE2 3.41Å; P1275-E1278 PolarHBondContact O-N 2.89Å; P1275-L1279 PolarHBondContact O-N 3.45Å
1276F46.4Very low47.1Very low7 Ų772.6 Ų72.63%0.03141%0.407CS..Hα-helixtrans-77.2-26.1172.1-165.9-99.5000113.2F162 F200 S1274 L1279 L1280F162-F1276 HydrophobicContact CB-CD1 4.18Å; F162-F1276 HydrophobicContact CB-CE1 3.93Å; F162-F1276 HydrophobicContact CD1-CE1 4.23Å; F162-F1276 AromaticContact CD2-CE1 3.5Å; F162-F1276 HydrophobicContact CD2-CE1 3.5Å; F162-F1276 VanDerWaalsContact CD2-CE1 3.5Å; F162-F1276 HydrophobicContact CD2-CZ 4.13Å; F162-F1276 HydrophobicContact CE2-CE1 4.01Å; F162-F1276 HydrophobicContact CE2-CZ 4.18Å; F162-F1276 HydrophobicContact CG-CD1 4.34Å; F162-F1276 AromaticContact CG-CE1 3.62Å; F162-F1276 HydrophobicContact CG-CE1 3.62Å; F162-F1276 HydrophobicContact CG-CZ 4.37Å; F162-F1276 HydrophobicContact CZ-CZ 4.47Å; F200-F1276 HydrophobicContact CD1-CB 4.2Å; F200-F1276 HydrophobicContact CD1-CD2 4.24Å; F200-F1276 HydrophobicContact CD1-CG 4.38Å; F200-F1276 HydrophobicContact CD2-CB 3.85Å; F200-F1276 HydrophobicContact CE1-CB 3.84Å; F200-F1276 HydrophobicContact CE1-CD1 4.44Å; F200-F1276 HydrophobicContact CE1-CD2 4.03Å; F200-F1276 AromaticContact CE1-CG 3.85Å; F200-F1276 HydrophobicContact CE1-CG 3.85Å; F200-F1276 HydrophobicContact CE2-CB 3.45Å; F200-F1276 VanDerWaalsContact CE2-CB 3.45Å; F200-F1276 HydrophobicContact CE2-CG 4.32Å; F200-F1276 HydrophobicContact CG-CB 4.21Å; F200-F1276 HydrophobicContact CZ-CB 3.44Å; F200-F1276 VanDerWaalsContact CZ-CB 3.44Å; F200-F1276 HydrophobicContact CZ-CD1 4.25Å; F200-F1276 HydrophobicContact CZ-CD2 4.44Å; F200-F1276 AromaticContact CZ-CG 3.81Å; F200-F1276 HydrophobicContact CZ-CG 3.81Å; S1274-F1276 PolarHBondContact O-N 2.98Å; F1276-L1279 HydrophobicContact CD2-CD2 4.41Å; F1276-L1279 HydrophobicContact CE2-CD2 4.22Å; F1276-L1280 HydrophobicContact CD1-CD1 3.81Å; F1276-L1280 HydrophobicContact CD1-CG 4.12Å; F1276-L1280 HydrophobicContact CE1-CD1 3.55Å; F1276-L1280 HydrophobicContact CE1-CD2 4.41Å; F1276-L1280 HydrophobicContact CE1-CG 3.88Å; F1276-L1280 HydrophobicContact CZ-CD1 4.46Å; F1276-L1280 HydrophobicContact CZ-CG 4.41Å; F1276-L1280 VanDerWaalsContact O-CB 3.26Å; F1276-L1280 WeakPolarHBondContact O-CB 3.5Å; F1276-L1280 VanDerWaalsContact O-CG 3.24Å; F1276-L1280 WeakPolarHBondContact O-CG 3.34Å; F1276-L1280 PolarHBondContact O-N 3.28Å
1277H57.2Low49Very low64 Ų6469.5 Ų69.530%0.29639%0.385SS..Hα-helixtrans-72.9-32.7168.5-174.2-57.7000110.8S1274 A1281S1274-H1277 WeakPolarHBondContact O-CA 3.38Å; S1274-H1277 VanDerWaalsContact O-CB 3.24Å; S1274-H1277 WeakPolarHBondContact O-CB 3.46Å; S1274-H1277 PolarHBondContact O-N 2.75Å; S1274-H1277 PolarHBondContact OG-N 2.76Å; H1277-A1281 WeakPolarHBondContact O-CB 3.32Å; H1277-A1281 PolarHBondContact O-N 3.48Å
1278E55.1Low50.4Low89 Ų8967.9 Ų67.942%0.41637%0.37SS..Hα-helixtrans-68.2-47.2171.9-71.7154.8-171.400111.1S1274 P1275 L1280 A1281 L1282S1274-E1278 PolarHBondContact O-N 2.64Å; P1275-E1278 WeakPolarHBondContact CA-OE2 3.41Å; P1275-E1278 PolarHBondContact O-N 2.89Å; E1278-L1280 VanDerWaalsContact C-N 3.34Å; E1278-L1280 PolarHBondContact O-N 2.79Å; E1278-A1281 WeakPolarHBondContact O-CB 3.41Å; E1278-A1281 PolarHBondContact O-N 2.88Å; E1278-A1281 VanDerWaalsContact O-N 3.13Å; E1278-L1282 PolarHBondContact O-N 2.88Å
1279L57.5Low51.9Low1 Ų165.9 Ų65.91%0.00537%0.366CS..Hα-helixtrans-57.3-45.8171.5175.7142.4000112.1F189 M192 I196 P1275 F1276 A1281 L1282 F1283F189-L1279 HydrophobicContact CB-CD1 4.28Å; F189-L1279 HydrophobicContact CD2-CD1 3.52Å; F189-L1279 HydrophobicContact CD2-CD2 4.33Å; F189-L1279 HydrophobicContact CE2-CD1 4.1Å; F189-L1279 HydrophobicContact CG-CD1 4.13Å; M192-L1279 HydrophobicContact CB-CD1 4.31Å; I196-L1279 HydrophobicContact CD1-CD1 3.48Å; I196-L1279 VanDerWaalsContact CD1-CD1 3.48Å; I196-L1279 HydrophobicContact CG1-CD1 4.32Å; P1275-L1279 PolarHBondContact O-N 3.45Å; F1276-L1279 HydrophobicContact CD2-CD2 4.41Å; F1276-L1279 HydrophobicContact CE2-CD2 4.22Å; L1279-A1281 VanDerWaalsContact C-N 3.31Å; L1279-A1281 PolarHBondContact O-N 2.89Å; L1279-L1282 PolarHBondContact O-N 3.3Å; L1279-F1283 HydrophobicContact CD2-CE2 4.17Å; L1279-F1283 VanDerWaalsContact O-CD2 3.29Å; L1279-F1283 WeakPolarHBondContact O-CD2 3.37Å; L1279-F1283 WeakPolarHBondContact O-CE2 3.3Å
1280L63.1Low53.2Low3 Ų362.3 Ų62.32%0.01635%0.352CS..Hα-helixtrans-65.7-35.2177.3-77.9-178.7000111.4F153 Y155 C159 F1276 E1278 L1282 F1283F153-L1280 HydrophobicContact CE1-CD2 4.49Å; F153-L1280 HydrophobicContact CZ-CD2 3.78Å; Y155-L1280 HydrophobicContact CD2-CB 3.83Å; Y155-L1280 WeakPolarHBondContact CD2-O 3.31Å; Y155-L1280 HydrophobicContact CE2-CB 3.68Å; Y155-L1280 WeakPolarHBondContact CE2-O 3.48Å; C159-L1280 HydrophobicContact CB-CD1 4.4Å; C159-L1280 WeakPolarHBondContact SG-CD1 3.26Å; F1276-L1280 HydrophobicContact CD1-CD1 3.81Å; F1276-L1280 HydrophobicContact CD1-CG 4.12Å; F1276-L1280 HydrophobicContact CE1-CD1 3.55Å; F1276-L1280 HydrophobicContact CE1-CD2 4.41Å; F1276-L1280 HydrophobicContact CE1-CG 3.88Å; F1276-L1280 HydrophobicContact CZ-CD1 4.46Å; F1276-L1280 HydrophobicContact CZ-CG 4.41Å; F1276-L1280 VanDerWaalsContact O-CB 3.26Å; F1276-L1280 WeakPolarHBondContact O-CB 3.5Å; F1276-L1280 VanDerWaalsContact O-CG 3.24Å; F1276-L1280 WeakPolarHBondContact O-CG 3.34Å; F1276-L1280 PolarHBondContact O-N 3.28Å; E1278-L1280 VanDerWaalsContact C-N 3.34Å; E1278-L1280 PolarHBondContact O-N 2.79Å; L1280-L1282 PolarHBondContact O-N 2.93Å; L1280-F1283 WeakPolarHBondContact O-CA 3.42Å; L1280-F1283 WeakPolarHBondContact O-CB 3.31Å; L1280-F1283 PolarHBondContact O-N 3.36Å
1281A63.9Low54.3Low25 Ų2557.8 Ų57.821%0.20733%0.333CS..Hα-helixtrans-63.4-27.4-179.400000113.1H1277 E1278 L1279 F1283 S1284 S1287H1277-A1281 WeakPolarHBondContact O-CB 3.32Å; H1277-A1281 PolarHBondContact O-N 3.48Å; E1278-A1281 WeakPolarHBondContact O-CB 3.41Å; E1278-A1281 PolarHBondContact O-N 2.88Å; E1278-A1281 VanDerWaalsContact O-N 3.13Å; L1279-A1281 VanDerWaalsContact C-N 3.31Å; L1279-A1281 PolarHBondContact O-N 2.89Å; A1281-F1283 PolarHBondContact O-N 3.26Å; A1281-S1284 WeakPolarHBondContact O-CB 3.3Å; A1281-S1284 PolarHBondContact O-N 2.97Å; A1281-S1284 PolarHBondContact O-OG 3.05Å; A1281-S1287 WeakPolarHBondContact O-CB 3.39Å; A1281-S1287 PolarHBondContact O-OG 2.69Å
1282L60.3Low54.9Low47 Ų4757 Ų5725%0.24633%0.327CS..THydrogen-bonded Turntrans-61.3-23.2170.3-65.5-173.9000113.5M192 E1278 L1279 L1280 S1284M192-L1282 HydrophobicContact CE-CD1 4.43Å; M192-L1282 HydrophobicContact CG-CD1 3.33Å; M192-L1282 HydrophobicContact SD-CD1 3.78Å; E1278-L1282 PolarHBondContact O-N 2.88Å; L1279-L1282 PolarHBondContact O-N 3.3Å; L1280-L1282 PolarHBondContact O-N 2.93Å; L1282-S1284 VanDerWaalsContact C-N 3.33Å
1283F66Low55.4Low6 Ų656 Ų563%0.02631%0.313CS..THydrogen-bonded Turntrans-90.77.3172.2-56.5-84.6000113F153 W184 F185 P188 L1279 L1280 A1281F153-F1283 HydrophobicContact CE1-CB 3.98Å; F153-F1283 HydrophobicContact CE1-CG 4.26Å; W184-F1283 HydrophobicContact CE3-CD1 4.34Å; W184-F1283 HydrophobicContact CE3-CE1 4.1Å; W184-F1283 HydrophobicContact CZ3-CD1 4.35Å; W184-F1283 HydrophobicContact CZ3-CE1 4.31Å; W184-F1283 WeakPolarHBondContact O-CE1 3.29Å; F185-F1283 HydrophobicContact CD2-CE1 4.39Å; F185-F1283 HydrophobicContact CD2-CE2 4.32Å; F185-F1283 AromaticContact CD2-CZ 3.97Å; F185-F1283 HydrophobicContact CD2-CZ 3.97Å; F185-F1283 HydrophobicContact CE2-CE2 4.39Å; F185-F1283 HydrophobicContact CE2-CZ 4.46Å; F185-F1283 HydrophobicContact CG-CZ 4.34Å; P188-F1283 HydrophobicContact CB-CE1 4.28Å; P188-F1283 HydrophobicContact CB-CE2 4.35Å; P188-F1283 HydrophobicContact CB-CZ 3.75Å; P188-F1283 HydrophobicContact CG-CE1 3.96Å; P188-F1283 HydrophobicContact CG-CZ 3.9Å; L1279-F1283 HydrophobicContact CD2-CE2 4.17Å; L1279-F1283 VanDerWaalsContact O-CD2 3.29Å; L1279-F1283 WeakPolarHBondContact O-CD2 3.37Å; L1279-F1283 WeakPolarHBondContact O-CE2 3.3Å; L1280-F1283 WeakPolarHBondContact O-CA 3.42Å; L1280-F1283 WeakPolarHBondContact O-CB 3.31Å; L1280-F1283 PolarHBondContact O-N 3.36Å; A1281-F1283 PolarHBondContact O-N 3.26Å
1284S66.9Low55.4Low17 Ų1751.7 Ų51.712%0.11931%0.308CS..SBendtrans-68151.5169.6770000110.6A1281 L1282 A1286 S1287 L1288A1281-S1284 WeakPolarHBondContact O-CB 3.3Å; A1281-S1284 PolarHBondContact O-N 2.97Å; A1281-S1284 PolarHBondContact O-OG 3.05Å; L1282-S1284 VanDerWaalsContact C-N 3.33Å; S1284-A1286 PolarHBondContact O-N 2.84Å; S1284-S1287 PolarHBondContact O-N 2.97Å; S1284-S1287 WeakPolarHBondContact OG-CB 3.44Å; S1284-S1287 PolarHBondContact OG-N 3.42Å; S1284-S1287 VanDerWaalsContact OG-N 3.13Å; S1284-S1287 PolarHBondContact OG-OG 3.46Å; S1284-S1287 VanDerWaalsContact OG-OG 3.09Å; S1284-L1288 WeakPolarHBondContact O-CB 3.48Å; S1284-L1288 PolarHBondContact O-N 3.43Å
1285P63.9Low55.2Low89 Ų8955 Ų5558%0.57832%0.321SS*.Hα-helixtrans-57.6-34.4175.9-26.135.5000113.5A1289P1285-A1289 VanDerWaalsContact O-CB 3.31Å; P1285-A1289 WeakPolarHBondContact O-CB 3.48Å; P1285-A1289 PolarHBondContact O-N 2.9Å
1286A64.9Low54.8Low74 Ų7463.9 Ų63.961%0.61235%0.352SS*.Hα-helixtrans-69-49.7178.900000111.9S1284 L1288 A1289 S1290S1284-A1286 PolarHBondContact O-N 2.84Å; A1286-L1288 VanDerWaalsContact C-N 3.33Å; A1286-L1288 PolarHBondContact O-N 2.92Å; A1286-A1289 PolarHBondContact O-N 3.18Å; A1286-S1290 PolarHBondContact O-N 2.89Å
1287S62.7Low54Low34 Ų3472.9 Ų72.924%0.23839%0.391CS..Hα-helixtrans-63.6-38.5176.7-580000111.9A1281 S1284 S1290 I1291A1281-S1287 WeakPolarHBondContact O-CB 3.39Å; A1281-S1287 PolarHBondContact O-OG 2.69Å; S1284-S1287 PolarHBondContact O-N 2.97Å; S1284-S1287 WeakPolarHBondContact OG-CB 3.44Å; S1284-S1287 PolarHBondContact OG-N 3.42Å; S1284-S1287 VanDerWaalsContact OG-N 3.13Å; S1284-S1287 PolarHBondContact OG-OG 3.46Å; S1284-S1287 VanDerWaalsContact OG-OG 3.09Å; S1287-S1290 PolarHBondContact O-N 3.48Å; S1287-I1291 VanDerWaalsContact O-CB 3.32Å; S1287-I1291 WeakPolarHBondContact O-CB 3.19Å; S1287-I1291 WeakPolarHBondContact O-CD1 3.22Å; S1287-I1291 WeakPolarHBondContact O-CG1 3.28Å; S1287-I1291 PolarHBondContact O-N 2.64Å
1288L55.5Low52.8Low48 Ų4879 Ų7925%0.25142%0.417SS..Hα-helixtrans-70.8-28174.7-78.5167.8000113.7Y150 S1284 A1286 K1292Y150-L1288 HydrophobicContact CE2-CD1 3.92Å; Y150-L1288 WeakPolarHBondContact OH-CD1 3.23Å; S1284-L1288 WeakPolarHBondContact O-CB 3.48Å; S1284-L1288 PolarHBondContact O-N 3.43Å; A1286-L1288 VanDerWaalsContact C-N 3.33Å; A1286-L1288 PolarHBondContact O-N 2.92Å; L1288-K1292 VanDerWaalsContact O-CB 3.28Å; L1288-K1292 WeakPolarHBondContact O-CB 3.13Å; L1288-K1292 VanDerWaalsContact O-CG 3.23Å; L1288-K1292 WeakPolarHBondContact O-CG 3.48Å; L1288-K1292 PolarHBondContact O-N 2.92Å
1289A56Low51.6Low47 Ų4783.4 Ų83.439%0.38844%0.435SS..Hα-helixtrans-69.6-46.9170.400000111.1P1285 A1286 K1292 N1293P1285-A1289 VanDerWaalsContact O-CB 3.31Å; P1285-A1289 WeakPolarHBondContact O-CB 3.48Å; P1285-A1289 PolarHBondContact O-N 2.9Å; A1286-A1289 PolarHBondContact O-N 3.18Å; A1289-K1292 PolarHBondContact O-N 2.93Å; A1289-N1293 VanDerWaalsContact O-CG 3.28Å; A1289-N1293 PolarHBondContact O-N 3.28Å; A1289-N1293 PolarHBondContact O-OD1 2.92Å
1290S53.9Low50.2Low72 Ų7292.9 Ų92.950%0.50347%0.472SS..Hα-helixtrans-57-50.9173.8177.60000111.5A1286 S1287 K1292 N1293 S1294A1286-S1290 PolarHBondContact O-N 2.89Å; S1287-S1290 PolarHBondContact O-N 3.48Å; S1290-K1292 PolarHBondContact O-N 3.3Å; S1290-N1293 PolarHBondContact O-N 3.07Å; S1290-N1293 VanDerWaalsContact O-N 3.07Å; S1290-S1294 PolarHBondContact O-N 3.36Å; S1290-S1294 PolarHBondContact O-OG 3.19Å
1291I49.7Very low48.4Very low64 Ų64101.8 Ų101.833%0.32851%0.51SS..Hα-helixtrans-60.2-41.4176.6-70.3164.4000111.6S1287 N1293 S1294 I1295S1287-I1291 VanDerWaalsContact O-CB 3.32Å; S1287-I1291 WeakPolarHBondContact O-CB 3.19Å; S1287-I1291 WeakPolarHBondContact O-CD1 3.22Å; S1287-I1291 WeakPolarHBondContact O-CG1 3.28Å; S1287-I1291 PolarHBondContact O-N 2.64Å; I1291-N1293 VanDerWaalsContact C-N 3.32Å; I1291-N1293 PolarHBondContact O-N 2.88Å; I1291-S1294 PolarHBondContact O-N 3.18Å; I1291-I1295 HydrophobicContact CG2-CD1 3.6Å; I1291-I1295 HydrophobicContact CG2-CG1 4.34Å; I1291-I1295 WeakPolarHBondContact O-CB 3.32Å; I1291-I1295 VanDerWaalsContact O-CG1 3.22Å; I1291-I1295 WeakPolarHBondContact O-CG1 3.23Å; I1291-I1295 PolarHBondContact O-N 3.08Å
1292K47Very low46.8Very low147 Ų147107.3 Ų107.364%0.63954%0.536SS*.Hα-helixtrans-62.5-37.9174.3-83.5178.9175.4-172.30112.6L1288 A1289 S1290 R1296L1288-K1292 VanDerWaalsContact O-CB 3.28Å; L1288-K1292 WeakPolarHBondContact O-CB 3.13Å; L1288-K1292 VanDerWaalsContact O-CG 3.23Å; L1288-K1292 WeakPolarHBondContact O-CG 3.48Å; L1288-K1292 PolarHBondContact O-N 2.92Å; A1289-K1292 PolarHBondContact O-N 2.93Å; S1290-K1292 PolarHBondContact O-N 3.3Å; K1292-R1296 WeakPolarHBondContact O-CB 3.32Å; K1292-R1296 PolarHBondContact O-N 3.26Å
1293N42.2Very low45.5Very low100 Ų100113.1 Ų113.154%0.53557%0.568SS.*Hα-helixtrans-70.9-44.9178.3-69.4-6.2000111.3A1289 S1290 I1291 I1295 R1296 F1297A1289-N1293 VanDerWaalsContact O-CG 3.28Å; A1289-N1293 PolarHBondContact O-N 3.28Å; A1289-N1293 PolarHBondContact O-OD1 2.92Å; S1290-N1293 PolarHBondContact O-N 3.07Å; S1290-N1293 VanDerWaalsContact O-N 3.07Å; I1291-N1293 VanDerWaalsContact C-N 3.32Å; I1291-N1293 PolarHBondContact O-N 2.88Å; N1293-I1295 VanDerWaalsContact C-N 3.35Å; N1293-I1295 PolarHBondContact O-N 3.33Å; N1293-R1296 WeakPolarHBondContact O-CB 3.31Å; N1293-R1296 PolarHBondContact O-N 3.38Å; N1293-F1297 PolarHBondContact O-N 2.98Å
1294S42Very low43.7Very low80 Ų80119.1 Ų119.156%0.55960%0.599SS**Hα-helixtrans-62.5-37.6173.6-57.60000112.9S1290 I1291 F1297S1290-S1294 PolarHBondContact O-N 3.36Å; S1290-S1294 PolarHBondContact O-OG 3.19Å; I1291-S1294 PolarHBondContact O-N 3.18Å; S1294-F1297 PolarHBondContact O-N 3.21Å
1295I40.8Very low41.8Very low115 Ų115126.4 Ų126.459%0.5964%0.637SS**Hα-helixtrans-71.2-32.5176-70.2172.3000111.6I1291 N1293 F1297 K1298I1291-I1295 HydrophobicContact CG2-CD1 3.6Å; I1291-I1295 HydrophobicContact CG2-CG1 4.34Å; I1291-I1295 WeakPolarHBondContact O-CB 3.32Å; I1291-I1295 VanDerWaalsContact O-CG1 3.22Å; I1291-I1295 WeakPolarHBondContact O-CG1 3.23Å; I1291-I1295 PolarHBondContact O-N 3.08Å; N1293-I1295 VanDerWaalsContact C-N 3.35Å; N1293-I1295 PolarHBondContact O-N 3.33Å; I1295-F1297 PolarHBondContact O-N 3.44Å; I1295-K1298 PolarHBondContact O-N 3.21Å
1296R35.6Very low40.3Very low212 Ų212128 Ų12880%0.865%0.65SS**Hα-helixtrans-61.7-27.3171.2-101.1-177171.7175-3.5113.1K1292 N1293 K1298K1292-R1296 WeakPolarHBondContact O-CB 3.32Å; K1292-R1296 PolarHBondContact O-N 3.26Å; N1293-R1296 WeakPolarHBondContact O-CB 3.31Å; N1293-R1296 PolarHBondContact O-N 3.38Å; R1296-K1298 VanDerWaalsContact C-N 3.33Å; R1296-K1298 PolarHBondContact O-N 3.48Å
1297F30.5Very low38.6Very low197 Ų197129.8 Ų129.886%0.86466%0.659SS**THydrogen-bonded Turntrans-856.6177.5-102.8-86000115.3N1293 S1294 I1295N1293-F1297 PolarHBondContact O-N 2.98Å; S1294-F1297 PolarHBondContact O-N 3.21Å; I1295-F1297 PolarHBondContact O-N 3.44Å
1298K31.6Very low37.1Very low193 Ų193135 Ų13584%0.83968%0.684SS**THydrogen-bonded Turntrans-127.532.9-176.9-145.9170.2-172.3173.90114I1295 R1296I1295-K1298 PolarHBondContact O-N 3.21Å; R1296-K1298 VanDerWaalsContact C-N 3.33Å; R1296-K1298 PolarHBondContact O-N 3.48Å
1299K29.7Very low35.9Very low181 Ų181141.7 Ų141.779%0.78771%0.711SS**SBendtrans-143.922.9-178.1-147.3-166.2175.4-173.60115.6
1300Y27.8Very low34.4Very low199 Ų199144 Ų14478%0.7872%0.724SS**  trans-148149.3170.4-98.7-87.8000108.6L1304Y1300-L1304 HydrophobicContact CD1-CD1 4.35Å; Y1300-L1304 HydrophobicContact CE1-CD1 3.8Å
1301K26.4Very low33.2Very low190 Ų190146.7 Ų146.783%0.82674%0.738SS**SBendtrans65.9126-148.3-68-174.6174.8-175.50111.1
1302D30.2Very low32.2Very low141 Ų141152.5 Ų152.575%0.75477%0.766SS**SBendcis-127.4-8.417.3-68.4-61.4000116.5L1304D1302-L1304 VanDerWaalsContact C-N 3.26Å; D1302-L1304 PolarHBondContact O-N 3.3Å
1303D32.7Very low31.2Very low170 Ų170153.3 Ų153.391%0.90978%0.777SS**SBendtrans-77.633.4-167.9-65-49.4000117
1304L26.9Very low30.5Very low131 Ų131151.8 Ų151.869%0.68679%0.785SS**  trans-127.462.1-179.3-78.1174.6000113.4Y1300 D1302Y1300-L1304 HydrophobicContact CD1-CD1 4.35Å; Y1300-L1304 HydrophobicContact CE1-CD1 3.8Å; D1302-L1304 VanDerWaalsContact C-N 3.26Å; D1302-L1304 PolarHBondContact O-N 3.3Å
1305N27.8Very low29.9Very low171 Ų171155.2 Ų155.291%0.91480%0.802SS**  trans-159.967.9159.9-100.9-30.2000112.1
1306S33.3Very low29.2Very low122 Ų122157.6 Ų157.685%0.85382%0.815SS**  trans-149.899165.8-166.10000110.3
1307S28.6Very low28.9Very low112 Ų112151.2 Ų151.278%0.78382%0.816SS**  trans-84120.2170.554.20000109.8
1308D31.2Very low28.7Very low143 Ų143149 Ų14977%0.76581%0.809SS**  trans-165.4155130.5-120.8-21.3000116.6
1309F29.2Very low28.8Very low189 Ų189147.4 Ų147.483%0.82981%0.811SS**  trans64138.3170.7-84.4-83.6000121.3
1310S25.9Very low28.7Very low95 Ų95147.1 Ų147.166%0.66481%0.812SS**  trans-134.3176.8-163.8580000112.5
1311T27.6Very low28.9Very low129 Ų129144.4 Ų144.479%0.79182%0.816SS**  trans63.399169.341.90000118.5
1312M29.5Very low28.9Very low185 Ų185140.8 Ų140.891%0.91181%0.814SS**  -156127.7113.5-106.6-61.7170.500110.6
1313N26.5Very low28.8Very low165 Ų165139.1 Ų139.188%0.88281%0.812SS**  trans-91.9142.8177.9-72.2-19.2000110.7
1314G26.9Very low28.4Very low68 Ų68138.7 Ų138.770%0.70181%0.809SS**  trans-175.3115.6170.900000114.7
1315V29.7Very low28.4Very low151 Ų151139.1 Ų139.192%0.91581%0.812SS**  trans70.3116.5174.9-169.60000115.2
1316L25.1Very low28.2Very low166 Ų166137.6 Ų137.687%0.86981%0.808SS**  trans-118157.5174.7-74.5162.6000109.4
1317G28.9Very low28Very low78 Ų78138 Ų13880%0.80481%0.806SS**  trans177.687.9173.700000110.3
1318M28.1Very low28Very low149 Ų149138 Ų13873%0.73481%0.805SS**  trans-98.5160.9179.7-61.4176.968.700110.1
1319D32.2Very low28Very low161 Ų161138.4 Ų138.486%0.86181%0.808SS**  -165.5129.5108.3-90.4-17.5000111.3
1320E28.9Very low27.8Very low174 Ų174135.6 Ų135.681%0.81380%0.802SS**  trans-101.6163157.7-66.1-171.5128.200108.1
1321T31.3Very low27.9Very low142 Ų142137.8 Ų137.887%0.87181%0.806SS**  trans-152.7142.6145.9-8.50000111.8
1322C26.9Very low27.8Very low115 Ų115137.4 Ų137.478%0.77780%0.799SS**  trans-145.2132.5177.7177.70000107.4
1323C28Very low27.6Very low106 Ų106135.5 Ų135.572%0.71679%0.788SS**  trans-120104.1175.3-690000109.8
1324L24.4Very low27.6Very low160 Ų160133.6 Ų133.684%0.83878%0.778SS**  trans-98111.2149.1-82164.4000105.6
1325D25.8Very low27.5Very low141 Ų141135.1 Ų135.175%0.75477%0.773SS**  trans-84.9121.1173.2-75.7-51000110.7
1326V24.4Very low27.4Very low138 Ų138134.5 Ų134.584%0.83677%0.765SS**  trans-129.3102.1163.5177.10000106.7
1327T29.1Very low27.5Very low132 Ų132131.7 Ų131.781%0.8176%0.755SS**  trans-103.8108.2172.446.20000109.4
1328S28.9Very low27.3Very low110 Ų110134.3 Ų134.377%0.76975%0.749SS**  trans-75.1134.6167.2560000110
1329D29.8Very low27.3Very low152 Ų152133.7 Ų133.781%0.81375%0.749SS**  trans-148.7161.2145-135.3-30.1000112.9
1330N26.7Very low27Very low131 Ų131130.8 Ų130.870%0.70174%0.742SS**  trans-86.7144.9-166-63.2-95.5000111.8
1331N26.9Very low26.9Very low140 Ų140129.7 Ų129.775%0.74974%0.74SS**  -174122.6117.6-103.8-68.3000115.1
1332N24.7Very low26.5Very low121 Ų121127 Ų12765%0.64773%0.731SS**  trans56124.3135.7-87.1-67.1000123
1333Q27.1Very low26.4Very low145 Ų145128.6 Ų128.668%0.67873%0.732SS**  trans91.6107.2131.7-74174.142.700121.5
1334N25.7Very low26.3Very low126 Ų126128.8 Ų128.867%0.67473%0.73SS**  76.5140.7123.5-57.7-8.1000119.2
1335T25.6Very low26.3Very low100 Ų100127.7 Ų127.761%0.61373%0.73SS**  cis-178.4143.8-21.835.30000105.8
1336N26.5Very low26.2Very low137 Ų137127.3 Ų127.373%0.73373%0.728SS**  trans65.4154.7139.9-67.42.3000118.5
1337T26.9Very low26.2Very low107 Ų107129.7 Ų129.766%0.65673%0.727SS**  cis-164.7152.82.113.10000110.4
1338L25.8Very low26Very low133 Ų133129.5 Ų129.570%0.69673%0.726SS**  trans61.8120141.6-65.7162.2000121.1
1339N27Very low25.9Very low137 Ų137127.7 Ų127.773%0.73372%0.724SS**  43142.4108.5-46.615.4000117.5
1340S26.3Very low25.7Very low100 Ų100127 Ų12770%0.69972%0.721SS**  171.7162.766.846.70000114.4
1341I26.1Very low25.7Very low151 Ų151127.1 Ų127.177%0.77472%0.722SS**  trans7479.5149.3-66.6153.3000118.2
1342A24.3Very low25.6Very low84 Ų84126.6 Ų126.669%0.69472%0.723SS**  67.5152.796.700000124.2
1343L24.7Very low25.6Very low150 Ų150126.4 Ų126.479%0.78573%0.727SS**  trans77.4106.2147.9-76.9165.2000121.4
1344T24.8Very low25.5Very low110 Ų110125 Ų12568%0.67573%0.728SS**  trans41.9125.2131.559.60000120.4
1345T24.9Very low25.3Very low136 Ų136124.6 Ų124.683%0.83473%0.73SS**  -174.7158.299.322.50000113.6
1346N24.1Very low25.4Very low133 Ų133127.1 Ų127.171%0.71174%0.739SS**  trans-53.2149.8169.3-53.4-56.7000112.7
1347F24.8Very low25.3Very low189 Ų189125 Ų12583%0.82973%0.734SS**  -180141.699.2-103.9-77.9000113.8
1348T24.2Very low25.3Very low128 Ų128125.8 Ų125.879%0.78574%0.735SS**  trans-15.2146.616058.60000119.6
1349G26.1Very low25.4Very low71 Ų71126.5 Ų126.573%0.73274%0.739SS**  trans175.867.1159.100000121.3
1350N26.2Very low25.7Very low139 Ų139125.1 Ų125.174%0.74374%0.741SS**  trans30.5118.2139.1-66.9-15.7000121.9
1351N26.1Very low25.9Very low133 Ų133125 Ų12571%0.71174%0.739SS**  75.1153.5122.5-63.5-23000122.9
1352T25.7Very low26.2Very low128 Ų128124.3 Ų124.379%0.78574%0.737SS**  trans69117.8154.1420000117.8
1353T23.7Very low26.7Very low117 Ų117126 Ų12672%0.71874%0.739SS**  cis106.4152.746.9-74.40000110.4
1354T24.8Very low27.1Very low115 Ų115126.1 Ų126.171%0.70674%0.74SS**  trans69.9104.7168.432.20000119.3
1355T23.4Very low27.7Very low118 Ų118123.8 Ų123.872%0.72474%0.738SS**  44.5161.3113.961.80000122.3
1356I26.8Very low28.1Very low153 Ų153125 Ų12579%0.78574%0.739SS**  trans82.797.7174.1-51.1165.3000110.2
1357S24.9Very low28.7Very low92 Ų92121.9 Ų121.964%0.64374%0.739SS**  93.3153.651.2830000114.5
1358D26.5Very low29Very low125 Ų125123.8 Ų123.867%0.66874%0.74SS**  trans78.7101163.5-63.8-73.4000122
1359N28.7Very low29.4Very low147 Ų147123.2 Ų123.279%0.78673%0.733SS**  56.4111.2115.6-69.1-56.4000122.2
1360S32.3Very low29.8Very low109 Ų109126 Ų12676%0.76273%0.731SS**  -175.8114.9125.634.80000110.2
1361S31.5Very low30.2Very low96 Ų96125.3 Ų125.367%0.67173%0.727SS**  58116.478.174.40000112.9
1362N32.5Very low30.5Very low138 Ų138124.7 Ų124.774%0.73872%0.724SS**  -179.1175.367.8-75.1-74.8000107.4
1363T33.4Very low30.7Very low119 Ų119124.6 Ų124.673%0.7372%0.718SS**  cis-176.3167.6-20.440.40000104.7
1364L33.6Very low31Very low153 Ų153125.5 Ų125.580%0.80172%0.719SS**  cis-160.616010.8-159.862.9000106.6
1365G36.6Very low31Very low61 Ų61130.3 Ų130.363%0.62972%0.724SS**  cis156.3174.5-10.900000112.4
1366N34.9Very low31.1Very low160 Ų160128.8 Ų128.886%0.85672%0.718SS**  trans66.9120.7172.2-59.7-30000118.8
1367G35Very low31Very low69 Ų69129.5 Ų129.571%0.71172%0.718SS**  cis138.6-173.7-17.500000116.1
1368R32.3Very low30.9Very low228 Ų228130 Ų13086%0.8672%0.721SS**  trans80.9138.2177.6-56.8-164.5164.1128.6-1.7116.4
1369N33.1Very low30.7Very low117 Ų117132.6 Ų132.663%0.62673%0.727SS**  cis-161140.8-5.5-11817.8000112.5
1370N33.9Very low30.4Very low129 Ų129132.3 Ų132.369%0.6972%0.724SS**  trans63.5155.7150.3-50.63.4000118.5
1371N33.8Very low30Very low124 Ų124132.7 Ų132.766%0.66372%0.722SS**  cis-164171.3-21.6-105.129.9000105.7
1372D32.6Very low29.8Very low120 Ų120131 Ų13164%0.64271%0.705SS**  cis-148.4135.26.5-133.6-44.3000112.1
1373N29.4Very low29.5Very low126 Ų126128.7 Ų128.767%0.67470%0.698SS**  trans3.8153.1154.9-66.4-64.9000125.8
1374N31.1Very low29.3Very low137 Ų137129 Ų12973%0.73369%0.69SS**  trans77.1154146.8-68.8-36.7000120.5
1375R25.6Very low29Very low215 Ų215128.9 Ų128.981%0.81168%0.684SS**  cis-173.3149.5-35.5-147.5177.3-178.9165-1.3109.5
1376S24Very low28.5Very low87 Ų87132.2 Ų132.261%0.60869%0.687SS**  trans69.6148.7156.5-62.90000121.3
1377E24.5Very low28Very low168 Ų168133.8 Ų133.879%0.78569%0.687SS**  trans65.6100.3145.1-74.1155.3-120.900121.5
1378S23.2Very low27.7Very low101 Ų101138.1 Ų138.171%0.70669%0.694SS**  44.4149.2124.362.40000123.2
1379F22.4Very low27.3Very low181 Ų181134.4 Ų134.479%0.79469%0.689SS**  trans97114.2171.4-76.2-110.2000118.6
1380I23Very low27.1Very low141 Ų141134 Ų13472%0.72370%0.696SS**  trans42.1148.1137.9-27.4177.8000120.8
1381V24.1Very low26.9Very low116 Ų116132.5 Ų132.570%0.70370%0.695SS**  trans80.2139.5165-171.60000113.7
1382N26Very low26.7Very low61 Ų61131.9 Ų131.933%0.32670%0.701SS.*  cis-148.3160.61.1-129.7-14.7000109Q29 H1384Q29-N1382 PolarHBondContact NE2-ND2 3.27Å; Q29-N1382 PolarHBondContact NE2-OD1 2.94Å; N1382-H1384 WeakPolarHBondContact CB-CD2 3.46Å; N1382-H1384 PolarHBondContact ND2-CD2 3.3Å; N1382-H1384 VanDerWaalsContact ND2-CD2 3.31Å; N1382-H1384 PolarHBondContact ND2-NE2 3.48Å; N1382-H1384 PolarHBondContact O-N 3.07Å
1383P27.9Very low26.4Very low89 Ų89131 Ų13158%0.57870%0.704SS**  trans-81.696.9151.532.3-28.6000109.9
1384H29.3Very low26.4Very low125 Ų125130.1 Ų130.158%0.57971%0.707SS**  trans-87.2124.6179.7-105.3-92.4000112.8N1382 D1386N1382-H1384 WeakPolarHBondContact CB-CD2 3.46Å; N1382-H1384 PolarHBondContact ND2-CD2 3.3Å; N1382-H1384 VanDerWaalsContact ND2-CD2 3.31Å; N1382-H1384 PolarHBondContact ND2-NE2 3.48Å; N1382-H1384 PolarHBondContact O-N 3.07Å; H1384-D1386 IonicContact CE1-OD2 3.61Å; H1384-D1386 IonicContact CG-OD2 3.7Å; H1384-D1386 IonicContact ND1-OD1 2.75Å; H1384-D1386 IonicContact ND1-OD2 3.6Å; H1384-D1386 PolarHBondContact ND1-OD2 2.83Å
1385F25.5Very low26.1Very low151 Ų151128.8 Ų128.866%0.66271%0.709SS**  trans-81.6131.4142.5-91.1-101.2000107.1
1386D26.9Very low26.2Very low131 Ų131127 Ų12770%0.70172%0.715SS**  trans-131.3136.4163.3-86.3-60.3000111.2H1384H1384-D1386 IonicContact CE1-OD2 3.61Å; H1384-D1386 IonicContact CG-OD2 3.7Å; H1384-D1386 IonicContact ND1-OD1 2.75Å; H1384-D1386 IonicContact ND1-OD2 3.6Å; H1384-D1386 PolarHBondContact ND1-OD2 2.83Å
1387F25.3Very low26.2Very low194 Ų194127.6 Ų127.685%0.85172%0.719SS**  trans-81.3157.6174.3-99.4-106.5000110.4
1388N27.3Very low26.5Very low160 Ų160126.5 Ų126.586%0.85672%0.724SS**  trans-114.3149161.4-138.8-26.2000110.9
1389I24.8Very low26.6Very low150 Ų150129.2 Ų129.277%0.76973%0.73SS**  trans-108.7143.4-153.4-64.8168.7000112.2
1390S28.5Very low27Very low109 Ų109126 Ų12676%0.76273%0.73SS**  trans-143.1123.1148.750.70000114.3
1391S29.5Very low27.1Very low97 Ų97125.4 Ų125.468%0.67873%0.734SS**  trans50.3106.9150.955.30000122.7
1392S29.4Very low27.4Very low111 Ų111126.1 Ų126.178%0.77674%0.738SS**  71154.7125.568.80000122
1393S25.9Very low27.8Very low101 Ų101131 Ų13171%0.70676%0.759SS**  cis-170.3164.5-30.259.50000109.9
1394S29.7Very low27.9Very low107 Ų107134.1 Ų134.175%0.74877%0.77SS**  trans63.7131.5-176.6710000115.4
1395S25.4Very low28.2Very low109 Ų109133.1 Ų133.176%0.76277%0.774SS**  cis82.4108.720.191.30000116.8
1396L28Very low28.5Very low178 Ų178133.4 Ų133.493%0.93278%0.781SS**  trans-170.9157.2134.2-103158.7000110.4
1397S24.6Very low28.7Very low100 Ų100132.7 Ų132.770%0.69979%0.787SS**  trans-127.4165.5-174.458.50000111.3
1398T29.6Very low28.9Very low145 Ų145126.9 Ų126.989%0.8978%0.781SS**  trans-173.6161.6146.413.30000112.9
1399N26.1Very low29.1Very low157 Ų157126.8 Ų126.884%0.8478%0.78SS**  trans-116.6148.6-175.8-64-41.1000112.8
1400S29.3Very low29.4Very low113 Ų113124.7 Ų124.779%0.7977%0.774SS**  trans175.1133.9144.748.20000108.9
1401T26.5Very low29.5Very low130 Ų130125.9 Ų125.980%0.79877%0.772SS**  cis91.1104.423.8-50.70000115.3
1402T30.8Very low29.5Very low131 Ų131126.3 Ų126.380%0.80477%0.771SS**  trans-164.1129.6159.210.90000115.4
1403H32.9Very low29.5Very low163 Ų163126.2 Ų126.276%0.75577%0.766SS**  trans5.6154.4142.6-60.8-57.5000122.3
1404L30.7Very low29.8Very low154 Ų154127.8 Ų127.881%0.80677%0.771SS**  cis-165.2179-2.7-101167.2000110.4
1405P35.8Very low29.8Very low104 Ų104126.1 Ų126.168%0.67576%0.764SS**  trans-118.2-143.1-164.845.9-36.1000115.5
1406I31.9Very low30.1Very low158 Ų158127.4 Ų127.481%0.8177%0.767SS**  trans112.1143166.6-62.6165.9000115
1407S29.8Very low30.3Very low116 Ų116124.1 Ų124.181%0.81176%0.755SS**  cis-177.1153.2-38.4-86.60000111.8
1408G31.3Very low30.7Very low72 Ų72125 Ų12574%0.74276%0.756SS**  trans97.4163.3162.600000117.2
1409L30.9Very low30.7Very low158 Ų158123.6 Ų123.683%0.82775%0.747SS**  cis-166.3146.1-3.2-108.5160.5000110.3
1410T30.2Very low30.9Very low106 Ų106121.8 Ų121.865%0.6574%0.742SS**  trans28.1151145.349.70000122.7
1411D31Very low30.9Very low133 Ų133122.3 Ų122.371%0.71174%0.741SS**  cis-166.9175.218.9-125.8-20.3000115.8
1412T29.9Very low31.1Very low107 Ų107121.6 Ų121.666%0.65674%0.736SS**  trans3.4158151.559.50000123.1
1413T30.2Very low31Very low109 Ų109121.1 Ų121.167%0.66973%0.734SS**  cis-176.3160.9-0.6270000111.7
1414T30.6Very low30.8Very low134 Ų134121.4 Ų121.482%0.82274%0.735SS**  trans59.8157.2150510000120.7
1415A30.5Very low30.7Very low72 Ų72120.4 Ų120.460%0.59573%0.73SS**  cis-174.4173.5-24.700000109.2
1416T32.3Very low30.4Very low135 Ų135121.7 Ų121.783%0.82873%0.73SS**  trans62144.2155.846.20000120
1417T31.4Very low30.3Very low109 Ų109120.1 Ų120.167%0.66972%0.723SS**  cis-166166.2-23.5-34.80000108.2
1418T32.4Very low30.3Very low120 Ų120120.6 Ų120.674%0.73672%0.717SS**  trans63.3152.3152.3400000120.6
1419T30.2Very low30.2Very low114 Ų114123.5 Ų123.570%0.69972%0.715SS**  cis-168.4160.6-32.517.80000110.2
1420T30.6Very low30.2Very low119 Ų119122.3 Ų122.373%0.7371%0.708SS**  trans64104.5147.950.20000124.2
1421T29.3Very low30.2Very low125 Ų125124.8 Ų124.877%0.76771%0.712SS**  71.5141.4117.6-13.80000125.3
1422T29.7Very low30.1Very low114 Ų114124.8 Ų124.870%0.69971%0.712SS**  trans101.886.6143-44.60000121.6
1423T28.7Very low30Very low122 Ų122125.5 Ų125.575%0.74872%0.717SS**  47.2146.5122.1-19.20000124.7
1424Q30Very low29.8Very low168 Ų168127.6 Ų127.679%0.78572%0.722SS**  trans80.3146.5160.9-59.1-163.6-8.600117.3
1425L27.8Very low29.7Very low133 Ų133128.2 Ų128.270%0.69672%0.719SS**  cis-164.7179.8-7.5-118174.8000111.5
1426I29Very low29.6Very low131 Ų131129.2 Ų129.267%0.67272%0.717SS**  trans86.6103.5145.7-83.2160.7000121.3
1427N30Very low29.4Very low126 Ų126129 Ų12967%0.67471%0.707SS**  108.1138.5119.6-82.224.3000126.2
1428N30.4Very low29.3Very low126 Ų126129.2 Ų129.267%0.67471%0.711SS**  trans70.1131.1148.7-63.97.4000118.2
1429N29.5Very low29.4Very low132 Ų132126.9 Ų126.971%0.70670%0.697SS**  cis-178.5168.725.4-117.99.8000111.4
1430I30.7Very low29.3Very low134 Ų134132 Ų13269%0.68771%0.71SS**  trans80.292.4155.2-63.4155.8000119.4
1431E30Very low29.4Very low157 Ų157129.9 Ų129.973%0.73470%0.697SS**  75.5128.9121.9-69.5-178.9-158.100126.2
1432N29Very low29.3Very low133 Ų133134.9 Ų134.971%0.71170%0.702SS**  trans94124.2140.3-61-24.5000123.1
1433T28.8Very low29.4Very low122 Ų122135.1 Ų135.175%0.74871%0.706SS**  trans57.286.8153.3-41.40000117.7
1434I25.9Very low29.5Very low153 Ų153137 Ų13779%0.78571%0.708SS**  61.485.566.5-47.1176.7000114.9
1435I28.1Very low29.3Very low147 Ų147138.3 Ų138.375%0.75471%0.711SS**  trans-139.2138.9137.3-59.3-175.6000106.3Y982Y982-I1435 HydrophobicContact CE1-CG2 4.28Å
1436V27.5Very low29.6Very low93 Ų93137.3 Ų137.356%0.56471%0.712SS**PPolyproline II helixtrans-99.6119.4-172-177.80000111.9Y982Y982-V1436 HydrophobicContact CD1-CB 4.03Å; Y982-V1436 HydrophobicContact CD1-CG2 4.48Å; Y982-V1436 HydrophobicContact CE1-CB 3.94Å; Y982-V1436 VanDerWaalsContact CE1-O 3.3Å; Y982-V1436 WeakPolarHBondContact CE1-O 3.5Å
1437Q28Very low29.6Very low131 Ų131135.2 Ų135.261%0.61272%0.715SS**PPolyproline II helixtrans-92.9140.5166.5-67.5-179.1-3.300110.8
1438P29Very low29.5Very low114 Ų114136.1 Ų136.174%0.7472%0.718SS**PPolyproline II helixtrans-69.9141.9162.830.7-32.9000110.1
1439P34.2Very low29.5Very low70 Ų70138.4 Ų138.446%0.45572%0.722SS.*PPolyproline II helixtrans-83.1151.5-164.832.1-36.8000114.8T1441P1439-T1441 HydrophobicContact CB-CG2 4.28Å; P1439-T1441 HydrophobicContact CG-CG2 4.13Å; P1439-T1441 PolarHBondContact O-N 3.31Å
1440F28Very low29.5Very low222 Ų222136.2 Ų136.297%0.97472%0.718SS**  trans-72.5101.1153.6-81.8-99.3000109.4
1441T33.5Very low29.6Very low75 Ų75136.3 Ų136.346%0.4672%0.72SS.*PPolyproline II helixtrans-96.4147.9166.650.80000111.9D965 P1439D965-T1441 WeakPolarHBondContact OD2-CB 3.46Å; D965-T1441 WeakPolarHBondContact OD2-CG2 3.44Å; D965-T1441 PolarHBondContact OD2-OG1 3.13Å; P1439-T1441 HydrophobicContact CB-CG2 4.28Å; P1439-T1441 HydrophobicContact CG-CG2 4.13Å; P1439-T1441 PolarHBondContact O-N 3.31Å
1442R27.4Very low29.7Very low229 Ų229135.9 Ų135.986%0.86472%0.722SS**PPolyproline II helixtrans-75.7154.4-157.7-59.9167.7-180169.8-0.4112.5M1444R1442-M1444 PolarHBondContact O-N 3.08Å
1443P31Very low29.9Very low120 Ų120138.7 Ų138.778%0.77973%0.728SS**PPolyproline II helixtrans-59.7128.9152.828.9-33000108.7K1445P1443-K1445 PolarHBondContact O-N 3.02Å
1444M31Very low30Very low162 Ų162137.9 Ų137.980%0.79873%0.727SS**PPolyproline II helixtrans-57124.1163.4-82.2-177.4159.700108.2R1442R1442-M1444 PolarHBondContact O-N 3.08Å
1445K27.4Very low30.3Very low194 Ų194137.5 Ų137.584%0.84373%0.727SS**PPolyproline II helixtrans-60.4141.6168.5-86.6-175.1171.5-175.90108.6P1443 A1447P1443-K1445 PolarHBondContact O-N 3.02Å; K1445-A1447 PolarHBondContact O-N 2.83Å
1446P32.1Very low30.6Very low112 Ų112138.8 Ų138.873%0.72773%0.73SS**PPolyproline II helixtrans-55137.4159.4-19.131.4000109.2I1448P1446-I1448 PolarHBondContact O-N 2.82Å
1447A29.2Very low30.9Very low88 Ų88140.6 Ų140.673%0.72774%0.741SS**  trans-69.899.2169.100000108.4K1445 F1449K1445-A1447 PolarHBondContact O-N 2.83Å; A1447-F1449 VanDerWaalsContact C-N 3.34Å; A1447-F1449 HydrophobicContact CB-CD2 4.44Å; A1447-F1449 PolarHBondContact O-N 2.9Å
1448I28.9Very low31.1Very low145 Ų145137.8 Ų137.874%0.74474%0.741SS**  trans-74.292.7171.7-57.9176.3000107.2P1446 S1450P1446-I1448 PolarHBondContact O-N 2.82Å; I1448-S1450 WeakPolarHBondContact CG2-OG 3.49Å
1449F29.7Very low31.4Very low173 Ų173139.3 Ų139.376%0.75974%0.743SS**  trans-77.3115.7163.7-98.9-91.6000108.9A1447A1447-F1449 VanDerWaalsContact C-N 3.34Å; A1447-F1449 HydrophobicContact CB-CD2 4.44Å; A1447-F1449 PolarHBondContact O-N 2.9Å
1450S29.5Very low31.3Very low87 Ų87141.9 Ų141.961%0.60875%0.753SS**  trans-115.787174.1-60.20000108.7I1448 D1452I1448-S1450 WeakPolarHBondContact CG2-OG 3.49Å; S1450-D1452 PolarHBondContact O-N 2.89Å
1451D32.5Very low31.6Very low136 Ų136139.2 Ų139.273%0.72775%0.745SS**  trans-80.768.6177.7-86.5-49.7000112.1K1453D1451-K1453 VanDerWaalsContact C-N 3.3Å; D1451-K1453 PolarHBondContact O-N 3.23Å
1452D32.6Very low31.7Very low147 Ų147140.8 Ų140.879%0.78675%0.75SS**  trans-71.777.4170.4-98.2-36.6000111.3S1450S1450-D1452 PolarHBondContact O-N 2.89Å
1453K34.4Very low32.1Very low192 Ų192138 Ų13884%0.83575%0.745SS**  trans-143.890.9170.3-73.9-171.4-176.9161.10115D1451D1451-K1453 VanDerWaalsContact C-N 3.3Å; D1451-K1453 PolarHBondContact O-N 3.23Å
1454S30.8Very low32.2Very low105 Ų105136.5 Ų136.573%0.73474%0.737SS**  trans-155.8156.7140.361.10000112.8
1455N31.2Very low32.4Very low145 Ų145138 Ų13878%0.77574%0.739SS**  trans74.495.2168.5-55-45.4000119.3
1456Q34.1Very low32.8Very low175 Ų175132.8 Ų132.882%0.81873%0.727SS**  -164.6134.4108.3-107.41765000113.1
1457T34.3Very low33Very low130 Ų130134.9 Ų134.980%0.79873%0.732SS**  trans60.6141.515455.30000120.1
1458A32.9Very low33.1Very low73 Ų73135.1 Ų135.160%0.60373%0.728SS**  cis-166.4167.1-10.100000110.6
1459N33.8Very low33.3Very low146 Ų146133.5 Ų133.578%0.78173%0.73SS**  trans66132.2159.9-56-20000116
1460N33.6Very low33.3Very low124 Ų124134 Ų13466%0.66374%0.737SS**  cis-165.2157.621.2-104.5-25.9000110.2
1461M33.1Very low33.5Very low166 Ų166139.4 Ų139.482%0.81875%0.75SS**  trans65.5143147-74.8172.7-173.500118.8
1462D35.6Very low33.5Very low107 Ų107141.4 Ų141.457%0.57275%0.752SS**  cis-162.8152.1-6.9-156.7-3.7000111.2
1463K35.6Very low33.5Very low172 Ų172141.9 Ų141.975%0.74875%0.753SS**  trans58.6155.7164.5-67.7137.8-175.2153.50120.1
1464S33.7Very low33.5Very low87 Ų87140.4 Ų140.461%0.60875%0.749SS**  cis-173146.4-28.762.80000112
1465K35.6Very low33.5Very low193 Ų193141.4 Ų141.484%0.83976%0.756SS**  trans69154.8156.6-65.8168.2-178.5177.50118.5
1466S36.4Very low33.6Very low86 Ų86139.2 Ų139.260%0.60176%0.758SS**  cis-177142.3-26.155.40000112.2
1467N35Very low33.6Very low155 Ų155137.2 Ų137.283%0.82976%0.757SS**  trans64.8161.5149.6-59.9-1.5000119.2
1468S32.1Very low33.4Very low93 Ų93140.2 Ų140.265%0.6576%0.762SS**  cis-177.1158.8-3161.80000111
1469S33Very low33.5Very low111 Ų111141.8 Ų141.878%0.77677%0.769SS**  trans71.8137.3163-51.40000117
1470M30Very low33.4Very low183 Ų183139.4 Ų139.490%0.90176%0.763SS**  cis83.8104.239.9-86.5-156.9168.600117.1
1471K34.3Very low33.5Very low202 Ų202140.4 Ų140.488%0.87877%0.769SS**  trans159.9131.5150.3-90.5156.8-178.3179.30106.9
1472K31.4Very low33.6Very low177 Ų177139 Ų13977%0.7777%0.77SS**  cis78.798.123.6-160.7179.3-175.7178.70116.2
1473I33.9Very low33.5Very low158 Ų158137 Ų13781%0.8177%0.774SS**  trans-169.3129.6156.6-87.6138.5000104
1474H32.7Very low33.3Very low161 Ų161137 Ų13775%0.74578%0.783SS**  cis84.8100.742-87.2-61.9000117
1475S32.1Very low33.2Very low126 Ų126141.8 Ų141.888%0.88182%0.816SS**  trans-167.5150.9145.552.40000110.5
1476A33.2Very low33.1Very low99 Ų99139.3 Ų139.382%0.81882%0.815SS**  trans-163.2146.8179.100000113.2
1477T33.7Very low32.9Very low133 Ų133142.1 Ų142.182%0.81683%0.826SS**  trans-163.3129.9168.620.50000106.4
1478Q30.8Very low32.8Very low193 Ų193141.3 Ų141.390%0.90283%0.826SS**  cis87.595.342.7-79-163.1-24.600116.3
1479S34.7Very low32.8Very low106 Ų106144.2 Ų144.274%0.74184%0.836SS**  trans-171.9118.5144.850.50000105
1480S31.3Very low32.8Very low95 Ų95146.3 Ų146.366%0.66484%0.84SS**  59129.876.191.50000111.6
1481D36.1Very low33Very low145 Ų145143.8 Ų143.878%0.77584%0.836SS**  cis-140.2174.628.2-82.4-72.5000116.3
1482T34.9Very low32.9Very low138 Ų138139.6 Ų139.685%0.84783%0.833SS**  trans-54.1157.217452.30000115.5
1483G33.4Very low33Very low64 Ų64136.8 Ų136.866%0.6684%0.838SS**  cis150.7156.7-300000113.4
1484N31.6Very low33Very low172 Ų172135 Ų13592%0.9284%0.84SS**  trans63.1149.6178.3-57.98.2000115.9
1485S31.3Very low33Very low188 Ų188132.6 Ų132.6100%1.31585%0.849SS**  cis-93.900.858.40000113.3

Retrieved 1,485 of 1,485 residues in 359.5 ms (Link to these results)

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