A0A3Q0KFJ3_SCHMA Loading...

Putative rna recognition motif protein split ends AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A3Q0KFJ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 3,209 aa.

						>A0A3Q0KFJ3_SCHMA|A0A3Q0KFJ3
MRVTRYLWINNLPDRVTEQDIRDVLQSHGKIQSVRIHEHEGNNGAVVAFVDTKSATRAVESTVRLKKVNLSLQYCESSGIPGTNSSDQLATPLDYTQTSNTSLLQSDVNYSRHKSRSVSTVSDSSSVFHNSENNEQTDTCLSHTTNRNYPKDFKITNMNASPRFQNEHRGLKISHLPLRSSDTNLREGLFHEYKKHGKITSVFVRGQDEERICIITFKKSEDAEKALTSSKGKVFFGTPISVQPHEGLNSEDPDLCPPEHALNEYHPKATKTLFVGNLCSGTITQDELRRTFRGYGEIIEIDIKIQANQPGTSYAFIQYGDIKSVVRALKEQETVRVNGKPVKLGFGKSQPTNVVWLDNLSPTINEAFLTRQFGRYGQLTHVVLDRKSMRALLYFDNVEVAQHAVNETRNRALVGRKVQIDYAGYECQVAFMKKLSKHDSFGQVYENYKERLQEVLSLLPYGSVIPYLGDRQRYFGDNQRDHFASGNTKFSYRRSNCLRSSPVDHSVKYEQSSNKTRCGSSVSPHERSHQSSDRRRTFITSSPDDSKISGNWISSHSNRNSHHGKSDTKNVQSEDRSSVLSHRKHQHNQIPIKLKSSRYLSHTEGKSNLNSRTHVDQSNLRSRGQLLEETDDISSGSFSSDFTNDDSFFETSLKHSNTSSECSVPTSKLPSHVIRDHVLNIDKRKNVDTNFSQKCFRSNHYETESLDESSCSSIKKHTQKARESVSPQSRVASTRLSVGRSRTSSSQHHSHWAIDRNSNLRQSSQECLEENVDQKHNKASFHSRARTLLKLPDADSSSPNHFSTKSKRIMLSKVASTYKDVEYSGRANTSTVSPISPDDVAFNESEGAYRRITNSACSDIPIGIKSHDTLTKLEMERAKLLRELSLLNNEVIGGSRGKTSSVTINMDNSNRKRAQSSLFVDDIPSPKLKRVENNSKCELVSIQSPALTSDNLMSPGFRESVPSSHSIRLIKASHDPKSELSGSKQGVVDKNVFALAVDNHLNTSDVASSSRRNHLSKTVQGHEFQNIHSNSRSETVFPAIATNGLNISGSRQSALITSSPRMVIAPESTSPMIHISPPSSPMIMGKSSYASTLGTSLSSSVLTASTSGSIISSLANSSSRDPRLAIHHTQLSNDVPPPPPETFKLPLWVDTSPHTEIMISNSLTSSVMRTQSPHFSKSLCDVETDVAIQDSSGCSLDERIRLLDVQLMKSEKARPTVDYSKFRIRRKAESNSTSQSTQINNPTQCTTGVSVTSCTPHSPVLTSTCSITTRCELGVIDMNNSSLPVSFTSSAGSTSPILSNSTLLNLVKPADTSEFVKSMLSFSKPSPSTPCDASNNMFSSEIATTNRHTISIPLCQNSFVTRLPHSCVSSSLSTASFIQSSASFCGKQKSPNNNRIHSNVCNVEHSSLSGAQPVGVATRMPSVKPFCGSDVLKPEDNLVGKGDNKFNTLKESVDYVEKCEPVILSHSLNNASTEFNANLSSYVNDNQKCVDVSNKVGVHGVSPFLGSSNDFSAKTSQKTPTYQTISCQKSSPRDDFVNNNKCKPTSLLNIPLANAKKTQKHDSAKLIMDDFVFQNSLGGSVSKNNQLKKPHPDTPSSLLPTKRKPSTTSESKEISASNADKTVLGNISMTKSKTQKIPCQSIAKKLGSSSESSLKKHSIPNNKLQLTTDGDQSVFSANNRSLFCPEKKPVSPHSKKKKSVRDFKKKVIDSEDSDWEPNTITSSQHQSGELLDPDSSSESRYESMYDKIKRRTNQSTAKTTDSIVKPDVLRRLLKNKSKEPKKPNSHKSLVDSDTDECLSDGSSIHSGDVSNPATKRTTKTNSLSNEIASKSVKQKVSTTSRAKLQATSVSPKGKKTVTDSEVSLLKEPSHKARGRKAKKPNISNKAQSLTAQVRSNHKNNEQQGSVTALNYRPITRRKKPCIQKENVPAHENDGKVVSGRMNLTGRSKTQKQKAISAVNKQVLSIKNTRRSLVHRVFASTDSSSLSSVISESSDDDLSNNQVSDLSVKEEVGATEITQENNYQPIESKSPKLQLSRSCSPEDLQADAAIRHTFGAFTAPFICFKTDTSHSSAIRHNAPQSTDVNIKFSPSSEDSKPTPPTLPMTDSSFSGDQQSNGISATKLQTRDHSDWSIFSSLAKQSTPIKDDNIHQNLSSTSGPAAESNDIPVNSTAETSYDTEDDLPSLEKHDNDEVSIPYESSILLHESDSLNNRAESLNGYNDDDLPPPVVSDIDNQLSYSDMPVVVGTVPDIIEEVIYDGLEVAFQDESHPAINKSIKSDSCKNSPKSLPGSPNVIESTVKKGLNQPLMDITDSFHINLSSVTNNFSPNVLSSIALPIITSPSNSVSVQPTLFTPVSALHVTSQPSEVQTINQSMLVTISTVASTNLSSSDSALRADEEASVPEPCSSVPSSLNSEPQHHTAVILPTTTVSFPGSSFVTVSSVMPNSSTNVTPSSSVIKLESSPLSITCSSTTASSGQQLQNLTSHPLTTENTTPIAVAASLDNTAPTSHACLSSVSQSGNSNFDPSDYTSYVQRVIERVKQEKDEEILQQREKMRRPKKNASVSTPSMTTSTTTNHTNTSATVTCSGVLSPTPINLPNIAPIPAADVLKPSSVVNIDNKNVTTPMCVANNSIVVQDSFSSIVKNVNSPNPQSANVSEPPITSSHPQQLVVSASTEQNLYVPGCNNLTDDIHSRDPVDETIEAVVNGEFDEKEYVLKLSKGNFIPNGHCHTLSGSIGSPSSHPDLFTLVPDDSGVKSDYHQSGISEAVCTRSNSSAVNVCVDPSSTLSVNKEFSDSIISMNHSSAVLTPMHVLTFVAANAATSTSQHICTSTAISPNVSTQSSSNLPTSTHHLPSASNPSSSSLDKISSMTPLAAYTPILNSSNSLPTDSTNTRIEEFAARFANNPFTTYFYSLLTQKQLSPSLSPSISSGDSICQRPTDNMSLPICSSTKLKNLSIPNASVSGDTADYLAAATMAAMAAMTGPTQDMTSFGQTVASVSYSDSKPQVSATHLGIQEYPVIWRGRLSLKNEEVFVNMHYVSGNQDLLKSCMCVITEQQVALSNIATSSSSLGSCMTGDAIGPPHHPLRIVQRMRLEASQLEGVQRKLRQINDFCMCLTLASAPLLTPDASLNNEQIRMNRILCDGFIKYMLEKGAAGIINVCHPCTQQNLYVIHIFPPCEFSRCQLQACAPALYHSLAENSIPHVLTVITTV
					

Structure and PAE viewers are unavailable as this is a multi-fragment structure.

Download 11 Fragment Structures AlphaSync Parameters PDBs Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	60.8	Low	86.4	Confident	136 Å²	136	54.2 Å²	54.2	67%	0.67	26%	0.258	S	S	*	.				0	122.9	0	-151.6	-176.3	-54	0	0	111.2	Q73 Y74 D208	M1-Q73 HydrophobicContact CE-CG 3.69Å; M1-Q73 HydrophobicContact SD-CG 3.6Å; M1-Y74 HydrophobicContact SD-CD2 4.27Å; M1-D208 PolarHBondContact N-OD2 2.7Å
2	R	75.4	Confident	86.5	Confident	88 Å²	88	50.7 Å²	50.7	33%	0.332	24%	0.242	S	C	.	.			trans	-89.3	147.8	178.5	-60.9	-172.1	-178.4	87.4	10.3	110.9	T4 Y74 E76 L178	R2-T4 PolarHBondContact O-N 2.84Å; R2-Y74 VanDerWaalsContact O-CB 3.23Å; R2-Y74 WeakPolarHBondContact O-CB 3.45Å; R2-E76 WeakPolarHBondContact CD-OE1 3.12Å; R2-E76 IonicContact CZ-OE1 3.74Å; R2-E76 IonicContact NE-OE1 3.16Å; R2-E76 IonicContact NH1-OE1 3.64Å; R2-E76 PolarHBondContact NH1-OE1 3.13Å; R2-E76 IonicContact NH1-OE2 2.61Å; R2-L178 PolarHBondContact NH2-O 3.39Å
3	V	86.5	Confident	86.1	Confident	84 Å²	84	48.5 Å²	48.5	51%	0.509	24%	0.235	S	C	.	.			trans	-71.2	122.2	170.3	179.2	0	0	0	0	108.7	T52 T56 Y74	V3-T52 HydrophobicContact CG1-CG2 3.6Å; V3-T56 VanDerWaalsContact CG1-OG1 3.26Å; V3-T56 WeakPolarHBondContact CG1-OG1 3.47Å; V3-Y74 HydrophobicContact CB-CE1 4.31Å; V3-Y74 HydrophobicContact CG1-CE1 3.73Å; V3-Y74 HydrophobicContact CG2-CE2 4.16Å
4	T	89.9	Confident	85.6	Confident	22 Å²	22	54 Å²	54	14%	0.135	27%	0.266	C	S	.	.			trans	-132.3	169.2	178.8	78.1	0	0	0	0	110.7	R2 Y6 A55 Y74 C75 E76	R2-T4 PolarHBondContact O-N 2.84Å; T4-Y6 PolarHBondContact O-N 2.72Å; T4-Y6 PolarHBondContact OG1-N 2.76Å; T4-Y6 VanDerWaalsContact OG1-N 3.14Å; T4-Y6 PolarHBondContact OG1-O 3.49Å; T4-A55 VanDerWaalsContact O-CB 3.3Å; T4-A55 WeakPolarHBondContact O-CB 3.47Å; T4-Y74 VanDerWaalsContact N-CD1 3.33Å; T4-Y74 WeakPolarHBondContact O-CD1 3.39Å; T4-C75 WeakPolarHBondContact CB-O 3.43Å; T4-C75 WeakPolarHBondContact CG2-O 3.31Å; T4-C75 PolarHBondContact OG1-O 3.24Å; T4-E76 HydrophobicContact CG2-CG 4.48Å
5	R	92.7	Very high	85.2	Confident	83 Å²	83	66.2 Å²	66.2	31%	0.313	31%	0.308	S	S	.	.	S	Bend	trans	-80.2	0.4	171.4	75.9	-179.3	-171.2	175.6	0.4	114.1	F49	R5-F49 WeakPolarHBondContact CD-O 3.22Å; R5-F49 PolarHBondContact O-N 3.12Å
6	Y	93.3	Very high	85.3	Confident	47 Å²	47	62.9 Å²	62.9	18%	0.184	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.5	-177.5	-55.1	-79.4	0	0	0	109.6	T4 V47 A48 C75	T4-Y6 PolarHBondContact O-N 2.72Å; T4-Y6 PolarHBondContact OG1-N 2.76Å; T4-Y6 VanDerWaalsContact OG1-N 3.14Å; T4-Y6 PolarHBondContact OG1-O 3.49Å; Y6-V47 CarbonylContact C-O 3.49Å; Y6-V47 WeakPolarHBondContact CA-O 3.33Å; Y6-A48 HydrophobicContact CD1-CB 3.53Å; Y6-A48 HydrophobicContact CE1-CB 3.63Å; Y6-C75 VanDerWaalsContact CB-SG 3.53Å; Y6-C75 PolarHBondContact O-N 3.17Å
7	L	93.3	Very high	85.5	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.1	175.7	-54.9	-172.9	0	0	0	110	V46 V47 F49 A55 A58 V59 L72 Q73 Y74	L7-V46 CarbonylContact O-C 3.58Å; L7-V46 WeakPolarHBondContact O-CA 3.47Å; L7-V47 PolarHBondContact N-O 3.41Å; L7-V47 PolarHBondContact O-N 3.48Å; L7-F49 HydrophobicContact CD1-CD2 4.41Å; L7-F49 HydrophobicContact CD1-CE2 3.87Å; L7-F49 HydrophobicContact CG-CE2 4.41Å; L7-A55 HydrophobicContact CD1-CB 4.38Å; L7-A55 HydrophobicContact CD2-CB 4.04Å; L7-A55 HydrophobicContact CG-CB 4.12Å; L7-A58 HydrophobicContact CD1-CB 3.71Å; L7-V59 HydrophobicContact CD1-CG2 3.73Å; L7-V59 HydrophobicContact CD2-CG2 3.34Å; L7-V59 HydrophobicContact CG-CG2 4.18Å; L7-L72 HydrophobicContact CB-CD2 4.1Å; L7-L72 HydrophobicContact CD1-CB 4.46Å; L7-L72 HydrophobicContact CD1-CD2 3.89Å; L7-Q73 CarbonylContact C-O 3.54Å; L7-Q73 WeakPolarHBondContact CA-O 3.45Å; L7-Y74 HydrophobicContact CD2-CD1 3.48Å; L7-Y74 VanDerWaalsContact CD2-CD1 3.48Å; L7-Y74 HydrophobicContact CD2-CE1 3.89Å; L7-Y74 HydrophobicContact CD2-CG 4.19Å
8	W	92	Very high	85.8	Confident	19 Å²	19	63.7 Å²	63.7	7%	0.072	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	140.4	163.8	176.7	-111.7	0	0	0	109.4	N10 H37 A45 V46 L72 Q73 C75 I80 P81	W8-N10 PolarHBondContact NE1-OD1 2.77Å; W8-H37 HydrophobicContact CH2-CB 4.4Å; W8-H37 AromaticContact CZ3-ND1 3.93Å; W8-A45 CarbonylContact C-O 3.51Å; W8-A45 WeakPolarHBondContact CA-O 3.2Å; W8-A45 VanDerWaalsContact CE3-C 3.47Å; W8-A45 VanDerWaalsContact CE3-O 3.27Å; W8-V46 HydrophobicContact CE3-CG2 3.67Å; W8-V46 HydrophobicContact CZ3-CG2 3.97Å; W8-L72 WeakPolarHBondContact O-CA 3.4Å; W8-Q73 PolarHBondContact N-O 2.81Å; W8-Q73 PolarHBondContact O-N 3.39Å; W8-C75 HydrophobicContact CB-CB 4.31Å; W8-I80 HydrophobicContact CH2-CG2 3.94Å; W8-I80 HydrophobicContact CZ2-CG2 4.31Å; W8-I80 HydrophobicContact CZ3-CG2 4.38Å; W8-P81 HydrophobicContact CB-CG 4.1Å; W8-P81 HydrophobicContact CD2-CG 3.69Å; W8-P81 HydrophobicContact CE3-CG 4.32Å; W8-P81 HydrophobicContact CG-CG 3.57Å
9	I	91.8	Very high	86.1	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.6	171.8	-59.4	162.9	0	0	0	107.2	L12 I21 L25 G44 A45 V47 L70 L72	I9-L12 HydrophobicContact CB-CD2 4.25Å; I9-L12 HydrophobicContact CB-CG 4.44Å; I9-L12 HydrophobicContact CD1-CD2 4.07Å; I9-L12 HydrophobicContact CG2-CD2 3.6Å; I9-L12 HydrophobicContact CG2-CG 3.91Å; I9-I21 HydrophobicContact CD1-CG2 3.93Å; I9-L25 HydrophobicContact CD1-CD1 4.14Å; I9-G44 WeakPolarHBondContact O-CA 3.49Å; I9-A45 HydrophobicContact CD1-CB 4.39Å; I9-A45 PolarHBondContact N-O 2.9Å; I9-A45 PolarHBondContact O-N 2.8Å; I9-V47 HydrophobicContact CD1-CG2 3.79Å; I9-L70 HydrophobicContact CD1-CD1 4.32Å; I9-L70 HydrophobicContact CG2-CB 4.28Å; I9-L70 HydrophobicContact CG2-CD2 4.02Å; I9-L72 HydrophobicContact CD1-CD2 4.19Å; I9-L72 HydrophobicContact CG1-CD2 3.52Å; I9-L72 HydrophobicContact CG1-CG 4.46Å
10	N	86.6	Confident	86.4	Confident	58 Å²	58	63.8 Å²	63.8	31%	0.31	30%	0.304	S	S	.	.	S	Bend	trans	-77.1	-26.2	-178	-76.8	-51.7	0	0	0	114.3	W8 S71 Q73	W8-N10 PolarHBondContact NE1-OD1 2.77Å; N10-S71 PolarHBondContact N-O 3.4Å; N10-S71 PolarHBondContact ND2-OG 3.44Å; N10-Q73 PolarHBondContact ND2-OE1 2.74Å
11	N	88.2	Confident	86.7	Confident	59 Å²	59	60.8 Å²	60.8	32%	0.316	29%	0.289	S	S	.	.			trans	-137.2	58.9	-160.1	67.4	-27.5	0	0	0	113.2	N69 S71	N11-N69 PolarHBondContact ND2-O 2.65Å; N11-S71 WeakPolarHBondContact OD1-CB 3.42Å; N11-S71 PolarHBondContact OD1-N 3.07Å
12	L	87.2	Confident	88.2	Confident	12 Å²	12	58.5 Å²	58.5	6%	0.063	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-69.2	133	174.4	-66.7	176.1	0	0	0	111.3	I9 V16 I21 I36 N43 A45 L70	I9-L12 HydrophobicContact CB-CD2 4.25Å; I9-L12 HydrophobicContact CB-CG 4.44Å; I9-L12 HydrophobicContact CD1-CD2 4.07Å; I9-L12 HydrophobicContact CG2-CD2 3.6Å; I9-L12 HydrophobicContact CG2-CG 3.91Å; L12-V16 HydrophobicContact CD2-CG1 4.19Å; L12-I21 HydrophobicContact CD1-CD1 3.74Å; L12-I21 HydrophobicContact CD2-CD1 3.82Å; L12-I21 HydrophobicContact CD2-CG1 4.11Å; L12-I21 HydrophobicContact CG-CD1 4.47Å; L12-I36 HydrophobicContact CD1-CG1 4.4Å; L12-I36 HydrophobicContact CD1-CG2 4.21Å; L12-N43 HydrophobicContact CB-CB 3.92Å; L12-N43 WeakPolarHBondContact CB-O 3.08Å; L12-N43 PolarHBondContact N-O 2.88Å; L12-A45 HydrophobicContact CD1-CB 3.66Å; L12-L70 HydrophobicContact CD2-CD2 4.21Å
13	P	81.8	Confident	89	Confident	23 Å²	23	58.8 Å²	58.8	15%	0.149	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-54.9	148.8	164.5	-13.8	18.4	0	0	0	111.8	V16 K66 V68	P13-V16 HydrophobicContact CB-CG2 3.86Å; P13-V16 HydrophobicContact CG-CG2 3.89Å; P13-V16 WeakPolarHBondContact O-CB 3.49Å; P13-V16 VanDerWaalsContact O-CG2 3.23Å; P13-V16 WeakPolarHBondContact O-CG2 3.34Å; P13-V16 PolarHBondContact O-N 3.12Å; P13-K66 HydrophobicContact CB-CB 4.4Å; P13-K66 HydrophobicContact CG-CB 4.15Å; P13-V68 HydrophobicContact CB-CG2 4.41Å; P13-V68 HydrophobicContact CG-CB 3.96Å; P13-V68 HydrophobicContact CG-CG2 3.84Å
14	D	79.6	Confident	89.3	Confident	125 Å²	125	56.9 Å²	56.9	67%	0.668	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	147.8	171.2	-65.5	-45	0	0	0	111.9	V16 N43	D14-V16 PolarHBondContact O-N 3.44Å; D14-N43 PolarHBondContact OD1-ND2 3.15Å
15	R	79.5	Confident	89.4	Confident	237 Å²	237	55.9 Å²	55.9	89%	0.894	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	32.7	178.3	-45.1	177.2	-175.9	-143.8	-1.7	113	K66	R15-K66 PolarHBondContact O-NZ 3.22Å
16	V	85.7	Confident	89.4	Confident	13 Å²	13	57.6 Å²	57.6	8%	0.079	28%	0.275	C	S	.	.			trans	-82.6	128.8	167.8	160.9	0	0	0	0	109.9	L12 P13 D14 D20 I21 I36 L65 K66	L12-V16 HydrophobicContact CD2-CG1 4.19Å; P13-V16 HydrophobicContact CB-CG2 3.86Å; P13-V16 HydrophobicContact CG-CG2 3.89Å; P13-V16 WeakPolarHBondContact O-CB 3.49Å; P13-V16 VanDerWaalsContact O-CG2 3.23Å; P13-V16 WeakPolarHBondContact O-CG2 3.34Å; P13-V16 PolarHBondContact O-N 3.12Å; D14-V16 PolarHBondContact O-N 3.44Å; V16-D20 WeakPolarHBondContact CA-OD2 3.4Å; V16-D20 HydrophobicContact CG1-CB 4.14Å; V16-I21 HydrophobicContact CG1-CD1 3.8Å; V16-I21 HydrophobicContact CG1-CG1 3.48Å; V16-I21 VanDerWaalsContact CG1-CG1 3.48Å; V16-I36 WeakPolarHBondContact O-CD1 3.44Å; V16-L65 HydrophobicContact CB-CD2 4.45Å; V16-L65 HydrophobicContact CG1-CD2 3.7Å; V16-L65 HydrophobicContact CG2-CD2 3.81Å; V16-L65 HydrophobicContact CG2-CG 4.29Å; V16-K66 HydrophobicContact CG2-CD 3.89Å
17	T	89.8	Confident	89.4	Confident	67 Å²	67	59.7 Å²	59.7	41%	0.411	30%	0.297	S	S	.	.			trans	-89.7	164.5	177.3	81.1	0	0	0	0	111.8	Q19 D20 I21	T17-Q19 PolarHBondContact O-N 3.31Å; T17-Q19 PolarHBondContact OG1-N 3.3Å; T17-D20 PolarHBondContact N-OD2 3.29Å; T17-D20 PolarHBondContact O-N 2.93Å; T17-D20 PolarHBondContact OG1-N 3.36Å; T17-D20 PolarHBondContact OG1-OD1 3.3Å; T17-I21 PolarHBondContact O-N 3.14Å
18	E	91	Very high	89.3	Confident	73 Å²	73	61.5 Å²	61.5	34%	0.341	31%	0.305	S	S	.	.	H	α-helix	trans	-59.2	-34.4	172.1	-158.1	-158.2	145.7	0	0	111.5	I21 R22 V34	E18-I21 PolarHBondContact O-N 2.68Å; E18-R22 WeakPolarHBondContact O-CG 3.33Å; E18-R22 PolarHBondContact O-N 3.07Å; E18-R22 VanDerWaalsContact O-N 3.1Å; E18-R22 IonicContact OE1-CZ 2.6Å; E18-R22 IonicContact OE1-NE 2.76Å; E18-R22 PolarHBondContact OE1-NE 3.18Å; E18-R22 IonicContact OE1-NH2 2.88Å; E18-R22 PolarHBondContact OE1-NH2 2.83Å; E18-R22 IonicContact OE2-NH2 2.65Å; E18-V34 HydrophobicContact CG-CB 3.54Å; E18-V34 HydrophobicContact CG-CG1 3.78Å; E18-V34 WeakPolarHBondContact OE1-CB 3.38Å; E18-V34 PolarHBondContact OE1-N 3Å
19	Q	90.7	Very high	89.2	Confident	94 Å²	94	61.3 Å²	61.3	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-69.4	-42.9	178.8	-167.5	61.7	36.3	0	0	111.5	T17 I21 R22 D23	T17-Q19 PolarHBondContact O-N 3.31Å; T17-Q19 PolarHBondContact OG1-N 3.3Å; Q19-I21 PolarHBondContact O-N 2.86Å; Q19-R22 WeakPolarHBondContact O-CA 3.05Å; Q19-R22 WeakPolarHBondContact O-CB 3.23Å; Q19-R22 PolarHBondContact O-N 3.46Å; Q19-D23 PolarHBondContact NE2-OD1 2.72Å; Q19-D23 VanDerWaalsContact O-CG 3.28Å; Q19-D23 PolarHBondContact O-N 2.89Å
20	D	91.8	Very high	89.3	Confident	35 Å²	35	68.7 Å²	68.7	19%	0.187	34%	0.342	C	S	.	.	H	α-helix	trans	-55.2	-38.1	176.8	-54.9	-2.1	0	0	0	111.9	V16 T17 L65 K66	V16-D20 WeakPolarHBondContact CA-OD2 3.4Å; V16-D20 HydrophobicContact CG1-CB 4.14Å; T17-D20 PolarHBondContact N-OD2 3.29Å; T17-D20 PolarHBondContact O-N 2.93Å; T17-D20 PolarHBondContact OG1-N 3.36Å; T17-D20 PolarHBondContact OG1-OD1 3.3Å; D20-L65 HydrophobicContact CB-CD1 4.16Å; D20-K66 WeakPolarHBondContact OD2-CE 3.21Å; D20-K66 IonicContact OD2-NZ 3.86Å; D20-K66 PolarHBondContact OD2-NZ 2.96Å
21	I	92.6	Very high	89.6	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-72.2	-42.5	177.3	-61.2	172.7	0	0	0	110.5	I9 L12 V16 T17 E18 Q19 L25 V34 I36 A45 V47 L65	I9-I21 HydrophobicContact CD1-CG2 3.93Å; L12-I21 HydrophobicContact CD1-CD1 3.74Å; L12-I21 HydrophobicContact CD2-CD1 3.82Å; L12-I21 HydrophobicContact CD2-CG1 4.11Å; L12-I21 HydrophobicContact CG-CD1 4.47Å; V16-I21 HydrophobicContact CG1-CD1 3.8Å; V16-I21 HydrophobicContact CG1-CG1 3.48Å; V16-I21 VanDerWaalsContact CG1-CG1 3.48Å; T17-I21 PolarHBondContact O-N 3.14Å; E18-I21 PolarHBondContact O-N 2.68Å; Q19-I21 PolarHBondContact O-N 2.86Å; I21-L25 HydrophobicContact CG2-CD1 3.8Å; I21-L25 WeakPolarHBondContact O-CB 3.4Å; I21-L25 PolarHBondContact O-N 2.69Å; I21-L25 VanDerWaalsContact O-N 3.1Å; I21-V34 HydrophobicContact CB-CG1 4.18Å; I21-V34 HydrophobicContact CD1-CG1 4Å; I21-V34 HydrophobicContact CG2-CG1 3.87Å; I21-V34 HydrophobicContact CG2-CG2 4.21Å; I21-I36 HydrophobicContact CD1-CD1 3.79Å; I21-I36 HydrophobicContact CD1-CG1 3.73Å; I21-A45 HydrophobicContact CD1-CB 3.97Å; I21-V47 HydrophobicContact CG2-CG2 3.74Å; I21-L65 HydrophobicContact CG1-CD2 4.23Å
22	R	93.7	Very high	89.7	Confident	88 Å²	88	69.3 Å²	69.3	33%	0.332	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-50.2	177.3	-72.9	173	179.6	-149.3	9.6	111.5	E18 Q19 V24 L25 Q26 I31 V34	E18-R22 WeakPolarHBondContact O-CG 3.33Å; E18-R22 PolarHBondContact O-N 3.07Å; E18-R22 VanDerWaalsContact O-N 3.1Å; E18-R22 IonicContact OE1-CZ 2.6Å; E18-R22 IonicContact OE1-NE 2.76Å; E18-R22 PolarHBondContact OE1-NE 3.18Å; E18-R22 IonicContact OE1-NH2 2.88Å; E18-R22 PolarHBondContact OE1-NH2 2.83Å; E18-R22 IonicContact OE2-NH2 2.65Å; Q19-R22 WeakPolarHBondContact O-CA 3.05Å; Q19-R22 WeakPolarHBondContact O-CB 3.23Å; Q19-R22 PolarHBondContact O-N 3.46Å; R22-V24 VanDerWaalsContact C-N 3.28Å; R22-V24 PolarHBondContact O-N 3.21Å; R22-L25 PolarHBondContact O-N 2.68Å; R22-Q26 WeakPolarHBondContact O-CB 3.49Å; R22-Q26 PolarHBondContact O-N 3Å; R22-I31 HydrophobicContact CB-CD1 4.38Å; R22-I31 HydrophobicContact CG-CD1 4.41Å; R22-V34 HydrophobicContact CG-CG2 3.82Å
23	D	91.6	Very high	89.9	Confident	95 Å²	95	70 Å²	70	51%	0.508	35%	0.347	S	S	.	.	H	α-helix	trans	-56.4	-42.2	-174.9	-68.5	-20.3	0	0	0	111.9	Q19	Q19-D23 PolarHBondContact NE2-OD1 2.72Å; Q19-D23 VanDerWaalsContact O-CG 3.28Å; Q19-D23 PolarHBondContact O-N 2.89Å
24	V	92	Very high	90.4	Very high	43 Å²	43	69.1 Å²	69.1	26%	0.261	34%	0.342	S	S	.	.	H	α-helix	trans	-76.4	-44.4	179	-177.9	0	0	0	0	111.8	R22 S27 V63 L65	R22-V24 VanDerWaalsContact C-N 3.28Å; R22-V24 PolarHBondContact O-N 3.21Å; V24-S27 PolarHBondContact O-OG 2.95Å; V24-V63 HydrophobicContact CG1-CG1 3.44Å; V24-V63 VanDerWaalsContact CG1-CG1 3.44Å; V24-L65 HydrophobicContact CG2-CD1 3.79Å
25	L	93.3	Very high	90.8	Very high	1 Å²	1	67 Å²	67	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-80.8	-22.9	-174.8	-75.3	172.2	0	0	0	114.6	I9 I21 R22 S27 H28 I31 V47 F49 A58 V63 L72	I9-L25 HydrophobicContact CD1-CD1 4.14Å; I21-L25 HydrophobicContact CG2-CD1 3.8Å; I21-L25 WeakPolarHBondContact O-CB 3.4Å; I21-L25 PolarHBondContact O-N 2.69Å; I21-L25 VanDerWaalsContact O-N 3.1Å; R22-L25 PolarHBondContact O-N 2.68Å; L25-S27 PolarHBondContact O-N 2.75Å; L25-H28 WeakPolarHBondContact O-CB 3.46Å; L25-H28 PolarHBondContact O-N 2.95Å; L25-I31 HydrophobicContact CB-CD1 3.78Å; L25-V47 HydrophobicContact CD1-CB 4.35Å; L25-V47 HydrophobicContact CD1-CG1 4.08Å; L25-V47 HydrophobicContact CD1-CG2 3.78Å; L25-F49 HydrophobicContact CB-CZ 4.13Å; L25-F49 HydrophobicContact CD2-CZ 4.47Å; L25-A58 HydrophobicContact CD2-CB 4Å; L25-V63 HydrophobicContact CD2-CB 4.42Å; L25-V63 HydrophobicContact CD2-CG1 3.91Å; L25-V63 HydrophobicContact CD2-CG2 3.9Å; L25-V63 HydrophobicContact CG-CG1 4.44Å; L25-L72 HydrophobicContact CD1-CD2 4.32Å; L25-L72 HydrophobicContact CD2-CD1 3.97Å; L25-L72 HydrophobicContact CD2-CD2 4.39Å
26	Q	92.8	Very high	91.3	Very high	119 Å²	119	58.2 Å²	58.2	56%	0.556	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-62.4	-25.2	-179.6	178.3	170.1	-38.8	0	0	112.7	R22 H28 G29 I31	R22-Q26 WeakPolarHBondContact O-CB 3.49Å; R22-Q26 PolarHBondContact O-N 3Å; Q26-H28 PolarHBondContact O-N 3.08Å; Q26-G29 CarbonylContact O-C 3.53Å; Q26-G29 PolarHBondContact O-N 2.69Å; Q26-G29 VanDerWaalsContact O-N 3.09Å; Q26-I31 HydrophobicContact CB-CD1 4.18Å
27	S	91.5	Very high	90.9	Very high	92 Å²	92	59.8 Å²	59.8	64%	0.643	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-58.1	-25.7	171	60.9	0	0	0	0	113.7	V24 L25	V24-S27 PolarHBondContact O-OG 2.95Å; L25-S27 PolarHBondContact O-N 2.75Å
28	H	92.2	Very high	90.2	Very high	37 Å²	37	64.3 Å²	64.3	17%	0.171	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-89.1	-12.9	179.1	-57.5	81.1	0	0	0	112.6	L25 Q26 F49 S54 R57 A58 S61	L25-H28 WeakPolarHBondContact O-CB 3.46Å; L25-H28 PolarHBondContact O-N 2.95Å; Q26-H28 PolarHBondContact O-N 3.08Å; H28-F49 HydrophobicContact CB-CE1 4.35Å; H28-F49 HydrophobicContact CB-CZ 4.34Å; H28-S54 WeakPolarHBondContact O-CA 3.38Å; H28-R57 HydrophobicContact CB-CB 4.4Å; H28-R57 VanDerWaalsContact O-CZ 3.31Å; H28-R57 PolarHBondContact O-NE 2.93Å; H28-R57 PolarHBondContact O-NH2 3.12Å; H28-A58 HydrophobicContact CB-CB 3.89Å; H28-S61 PolarHBondContact CD2-OG 2.84Å; H28-S61 VanDerWaalsContact CD2-OG 3.23Å; H28-S61 WeakPolarHBondContact NE2-CB 3.33Å; H28-S61 PolarHBondContact NE2-OG 2.79Å
29	G	90.8	Very high	88.6	Confident	16 Å²	16	67.6 Å²	67.6	17%	0.165	33%	0.332	C	S	.	.	S	Bend	trans	148.4	179	172.6	0	0	0	0	0	113.3	Q26 I31 F49	Q26-G29 CarbonylContact O-C 3.53Å; Q26-G29 PolarHBondContact O-N 2.69Å; Q26-G29 VanDerWaalsContact O-N 3.09Å; G29-I31 PolarHBondContact O-N 3.33Å; G29-F49 WeakPolarHBondContact O-CE1 3.34Å
30	K	92.5	Very high	86.8	Confident	154 Å²	154	72.3 Å²	72.3	67%	0.67	35%	0.354	S	S	*	.			trans	-67.3	120.6	-172.9	-165.7	170.4	-176.5	172.8	0	111.5	V50	K30-V50 HydrophobicContact CB-CB 4.33Å; K30-V50 HydrophobicContact CB-CG2 4.01Å; K30-V50 HydrophobicContact CD-CG2 4.2Å; K30-V50 HydrophobicContact CG-CG2 3.88Å; K30-V50 WeakPolarHBondContact O-CG2 3.36Å; K30-V50 PolarHBondContact O-N 3.48Å
31	I	93.1	Very high	85.4	Confident	27 Å²	27	74.4 Å²	74.4	14%	0.138	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	136	176	-63	173.1	0	0	0	109.7	R22 L25 Q26 G29 V34 V47 F49	R22-I31 HydrophobicContact CB-CD1 4.38Å; R22-I31 HydrophobicContact CG-CD1 4.41Å; L25-I31 HydrophobicContact CB-CD1 3.78Å; Q26-I31 HydrophobicContact CB-CD1 4.18Å; G29-I31 PolarHBondContact O-N 3.33Å; I31-V34 HydrophobicContact CG2-CG2 3.88Å; I31-V47 HydrophobicContact CD1-CG1 4.48Å; I31-V47 HydrophobicContact CG1-CG1 4.5Å; I31-V47 HydrophobicContact CG2-CG1 4.34Å; I31-F49 HydrophobicContact CG1-CD1 4.14Å; I31-F49 HydrophobicContact CG1-CE1 3.89Å; I31-F49 HydrophobicContact CG1-CZ 4.37Å
32	Q	91.2	Very high	84.1	Confident	103 Å²	103	80.1 Å²	80.1	48%	0.481	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-39.4	175	173.2	166.1	76.9	0	0	112.5	A48 V50	Q32-A48 HydrophobicContact CB-CB 4.23Å; Q32-A48 PolarHBondContact N-O 2.85Å; Q32-V50 HydrophobicContact CB-CG2 4.17Å
33	S	91.1	Very high	83.4	Confident	26 Å²	26	77.7 Å²	77.7	18%	0.182	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	148.4	175.8	67.6	0	0	0	0	111.2	R35 A48	S33-R35 PolarHBondContact OG-NH1 2.72Å; S33-A48 PolarHBondContact N-O 2.67Å; S33-A48 PolarHBondContact O-N 3.49Å; S33-A48 WeakPolarHBondContact OG-CB 3.34Å
34	V	92.3	Very high	83.2	Confident	6 Å²	6	73.3 Å²	73.3	4%	0.036	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.5	163.1	178.9	0	0	0	0	108.7	E18 I21 R22 I31 A45 V46 V47	E18-V34 HydrophobicContact CG-CB 3.54Å; E18-V34 HydrophobicContact CG-CG1 3.78Å; E18-V34 WeakPolarHBondContact OE1-CB 3.38Å; E18-V34 PolarHBondContact OE1-N 3Å; I21-V34 HydrophobicContact CB-CG1 4.18Å; I21-V34 HydrophobicContact CD1-CG1 4Å; I21-V34 HydrophobicContact CG2-CG1 3.87Å; I21-V34 HydrophobicContact CG2-CG2 4.21Å; R22-V34 HydrophobicContact CG-CG2 3.82Å; I31-V34 HydrophobicContact CG2-CG2 3.88Å; V34-A45 HydrophobicContact CG1-CB 4.45Å; V34-V46 CarbonylContact C-O 3.56Å; V34-V46 WeakPolarHBondContact CA-O 3.36Å; V34-V47 HydrophobicContact CG1-CG2 4.08Å; V34-V47 HydrophobicContact CG2-CB 4.45Å; V34-V47 HydrophobicContact CG2-CG1 4.16Å; V34-V47 HydrophobicContact CG2-CG2 4.02Å
35	R	88.4	Confident	83.2	Confident	81 Å²	81	71.2 Å²	71.2	31%	0.306	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	108.5	172.6	-77.1	-178.8	-63.9	-67	-8.1	109.9	S33 H37 A45 V46 S78	S33-R35 PolarHBondContact OG-NH1 2.72Å; R35-H37 PolarHBondContact O-CE1 3.24Å; R35-H37 PolarHBondContact O-ND1 3.26Å; R35-H37 VanDerWaalsContact O-ND1 3.08Å; R35-A45 CarbonylContact O-C 3.58Å; R35-A45 WeakPolarHBondContact O-CA 3.34Å; R35-A45 WeakPolarHBondContact O-CB 3.47Å; R35-V46 PolarHBondContact N-O 2.85Å; R35-V46 PolarHBondContact O-N 2.79Å; R35-S78 PolarHBondContact NE-O 3.1Å; R35-S78 PolarHBondContact NH2-O 3.37Å; R35-S78 PolarHBondContact NH2-OG 3.15Å
36	I	88.5	Confident	83.2	Confident	51 Å²	51	71.2 Å²	71.2	26%	0.262	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	139.7	170.5	-55.6	-179.8	0	0	0	108.6	L12 V16 I21 E38 A45	L12-I36 HydrophobicContact CD1-CG1 4.4Å; L12-I36 HydrophobicContact CD1-CG2 4.21Å; V16-I36 WeakPolarHBondContact O-CD1 3.44Å; I21-I36 HydrophobicContact CD1-CD1 3.79Å; I21-I36 HydrophobicContact CD1-CG1 3.73Å; I36-E38 HydrophobicContact CG2-CG 4.07Å; I36-A45 HydrophobicContact CG1-CB 4.2Å
37	H	78.1	Confident	83.2	Confident	46 Å²	46	65.5 Å²	65.5	21%	0.213	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	102.7	173.5	-60.9	78	0	0	0	106.7	W8 R35 G44 I80	W8-H37 HydrophobicContact CH2-CB 4.4Å; W8-H37 AromaticContact CZ3-ND1 3.93Å; R35-H37 PolarHBondContact O-CE1 3.24Å; R35-H37 PolarHBondContact O-ND1 3.26Å; R35-H37 VanDerWaalsContact O-ND1 3.08Å; H37-G44 PolarHBondContact N-O 3.46Å; H37-G44 PolarHBondContact O-N 3.1Å; H37-G44 VanDerWaalsContact O-N 3.15Å; H37-I80 HydrophobicContact CB-CD1 4.37Å; H37-I80 HydrophobicContact CB-CG1 4.36Å; H37-I80 WeakPolarHBondContact CD2-CG1 3.46Å
38	E	74.6	Confident	83.3	Confident	162 Å²	162	61.1 Å²	61.1	76%	0.757	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	118.2	173.6	-63	176.5	172	0	0	107.7	I36	I36-E38 HydrophobicContact CG2-CG 4.07Å
39	H	58.5	Low	83.4	Confident	142 Å²	142	59.4 Å²	59.4	66%	0.657	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	143.1	171.3	-169.1	-73	0	0	0	108	G41 N42	H39-G41 PolarHBondContact O-N 2.98Å; H39-N42 PolarHBondContact O-N 2.91Å
40	E	53.4	Low	83.5	Confident	193 Å²	193	61.3 Å²	61.3	90%	0.902	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	106.8	-173.9	-61.3	-176.3	148.1	0	0	111
41	G	60.8	Low	83.5	Confident	79 Å²	79	57.7 Å²	57.7	81%	0.814	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.7	-14.8	179.4	0	0	0	0	0	117.4	H39	H39-G41 PolarHBondContact O-N 2.98Å
42	N	66.8	Low	83.5	Confident	121 Å²	121	59.6 Å²	59.6	65%	0.647	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.6	108.2	179.4	-94.2	-31.1	0	0	0	112.2	H39	H39-N42 PolarHBondContact O-N 2.91Å
43	N	78.2	Confident	83.5	Confident	38 Å²	38	62.5 Å²	62.5	20%	0.203	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	113	174.5	-57.8	-40.3	0	0	0	110.3	L12 D14	L12-N43 HydrophobicContact CB-CB 3.92Å; L12-N43 WeakPolarHBondContact CB-O 3.08Å; L12-N43 PolarHBondContact N-O 2.88Å; D14-N43 PolarHBondContact OD1-ND2 3.15Å
44	G	88.3	Confident	83.7	Confident	2 Å²	2	61.4 Å²	61.4	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	165.9	177	0	0	0	0	0	113.3	I9 H37	I9-G44 WeakPolarHBondContact O-CA 3.49Å; H37-G44 PolarHBondContact N-O 3.46Å; H37-G44 PolarHBondContact O-N 3.1Å; H37-G44 VanDerWaalsContact O-N 3.15Å
45	A	91.1	Very high	83.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	148.7	171.2	0	0	0	0	0	114.2	W8 I9 L12 I21 V34 R35 I36	W8-A45 CarbonylContact C-O 3.51Å; W8-A45 WeakPolarHBondContact CA-O 3.2Å; W8-A45 VanDerWaalsContact CE3-C 3.47Å; W8-A45 VanDerWaalsContact CE3-O 3.27Å; I9-A45 HydrophobicContact CD1-CB 4.39Å; I9-A45 PolarHBondContact N-O 2.9Å; I9-A45 PolarHBondContact O-N 2.8Å; L12-A45 HydrophobicContact CD1-CB 3.66Å; I21-A45 HydrophobicContact CD1-CB 3.97Å; V34-A45 HydrophobicContact CG1-CB 4.45Å; R35-A45 CarbonylContact O-C 3.58Å; R35-A45 WeakPolarHBondContact O-CA 3.34Å; R35-A45 WeakPolarHBondContact O-CB 3.47Å; I36-A45 HydrophobicContact CG1-CB 4.2Å
46	V	92.6	Very high	84	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	120.8	168.4	-178.4	0	0	0	0	109.2	L7 W8 V34 R35	L7-V46 CarbonylContact O-C 3.58Å; L7-V46 WeakPolarHBondContact O-CA 3.47Å; W8-V46 HydrophobicContact CE3-CG2 3.67Å; W8-V46 HydrophobicContact CZ3-CG2 3.97Å; V34-V46 CarbonylContact C-O 3.56Å; V34-V46 WeakPolarHBondContact CA-O 3.36Å; R35-V46 PolarHBondContact N-O 2.85Å; R35-V46 PolarHBondContact O-N 2.79Å
47	V	93.7	Very high	84.2	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121	174.2	178.6	0	0	0	0	108.7	Y6 L7 I9 I21 L25 I31 V34 F49	Y6-V47 CarbonylContact C-O 3.49Å; Y6-V47 WeakPolarHBondContact CA-O 3.33Å; L7-V47 PolarHBondContact N-O 3.41Å; L7-V47 PolarHBondContact O-N 3.48Å; I9-V47 HydrophobicContact CD1-CG2 3.79Å; I21-V47 HydrophobicContact CG2-CG2 3.74Å; L25-V47 HydrophobicContact CD1-CB 4.35Å; L25-V47 HydrophobicContact CD1-CG1 4.08Å; L25-V47 HydrophobicContact CD1-CG2 3.78Å; I31-V47 HydrophobicContact CD1-CG1 4.48Å; I31-V47 HydrophobicContact CG1-CG1 4.5Å; I31-V47 HydrophobicContact CG2-CG1 4.34Å; V34-V47 HydrophobicContact CG1-CG2 4.08Å; V34-V47 HydrophobicContact CG2-CB 4.45Å; V34-V47 HydrophobicContact CG2-CG1 4.16Å; V34-V47 HydrophobicContact CG2-CG2 4.02Å; V47-F49 HydrophobicContact CG1-CD2 4.23Å; V47-F49 HydrophobicContact CG1-CE2 3.94Å
48	A	93.4	Very high	85	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.3	171.8	0	0	0	0	0	109.5	Y6 Q32 S33	Y6-A48 HydrophobicContact CD1-CB 3.53Å; Y6-A48 HydrophobicContact CE1-CB 3.63Å; Q32-A48 HydrophobicContact CB-CB 4.23Å; Q32-A48 PolarHBondContact N-O 2.85Å; S33-A48 PolarHBondContact N-O 2.67Å; S33-A48 PolarHBondContact O-N 3.49Å; S33-A48 WeakPolarHBondContact OG-CB 3.34Å
49	F	94.7	Very high	85.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	159.2	164.1	-75.4	-89.2	0	0	0	110.8	R5 L7 L25 H28 G29 I31 V47 A55 A58	R5-F49 WeakPolarHBondContact CD-O 3.22Å; R5-F49 PolarHBondContact O-N 3.12Å; L7-F49 HydrophobicContact CD1-CD2 4.41Å; L7-F49 HydrophobicContact CD1-CE2 3.87Å; L7-F49 HydrophobicContact CG-CE2 4.41Å; L25-F49 HydrophobicContact CB-CZ 4.13Å; L25-F49 HydrophobicContact CD2-CZ 4.47Å; H28-F49 HydrophobicContact CB-CE1 4.35Å; H28-F49 HydrophobicContact CB-CZ 4.34Å; G29-F49 WeakPolarHBondContact O-CE1 3.34Å; I31-F49 HydrophobicContact CG1-CD1 4.14Å; I31-F49 HydrophobicContact CG1-CE1 3.89Å; I31-F49 HydrophobicContact CG1-CZ 4.37Å; V47-F49 HydrophobicContact CG1-CD2 4.23Å; V47-F49 HydrophobicContact CG1-CE2 3.94Å; F49-A55 HydrophobicContact CB-CB 4.24Å; F49-A55 HydrophobicContact CD2-CB 3.7Å; F49-A55 HydrophobicContact CE2-CB 4.43Å; F49-A55 HydrophobicContact CG-CB 4.2Å; F49-A58 HydrophobicContact CE2-CB 3.83Å; F49-A58 HydrophobicContact CZ-CB 3.74Å
50	V	93.5	Very high	87.3	Confident	57 Å²	57	54.2 Å²	54.2	35%	0.345	29%	0.289	S	S	.	.	S	Bend	trans	-66.4	-50	169	175.2	0	0	0	0	109.7	K30 Q32	K30-V50 HydrophobicContact CB-CB 4.33Å; K30-V50 HydrophobicContact CB-CG2 4.01Å; K30-V50 HydrophobicContact CD-CG2 4.2Å; K30-V50 HydrophobicContact CG-CG2 3.88Å; K30-V50 WeakPolarHBondContact O-CG2 3.36Å; K30-V50 PolarHBondContact O-N 3.48Å; Q32-V50 HydrophobicContact CB-CG2 4.17Å
51	D	91.9	Very high	88.9	Confident	77 Å²	77	46.6 Å²	46.6	41%	0.412	26%	0.257	S	S	.	.	S	Bend	trans	-106.9	141.3	-177.1	-26.3	-77.4	0	0	0	112.5	K53 S54 A55	D51-K53 VanDerWaalsContact C-N 3.29Å; D51-K53 PolarHBondContact O-N 2.83Å; D51-S54 WeakPolarHBondContact O-CB 3.37Å; D51-S54 PolarHBondContact O-N 2.86Å; D51-S54 VanDerWaalsContact O-N 3.1Å; D51-S54 PolarHBondContact OD2-OG 2.95Å; D51-A55 PolarHBondContact O-N 3.35Å
52	T	92.4	Very high	90.1	Very high	67 Å²	67	48.7 Å²	48.7	41%	0.411	25%	0.254	S	S	.	.	H	α-helix	trans	-57.4	-40.3	171.2	-51	0	0	0	0	112.1	V3 S54 A55 T56	V3-T52 HydrophobicContact CG1-CG2 3.6Å; T52-S54 PolarHBondContact O-N 2.98Å; T52-A55 WeakPolarHBondContact O-CB 3.47Å; T52-A55 PolarHBondContact O-N 2.79Å; T52-A55 VanDerWaalsContact O-N 3.16Å; T52-T56 PolarHBondContact O-N 3.14Å; T52-T56 PolarHBondContact O-OG1 3.37Å
53	K	92.5	Very high	91	Very high	165 Å²	165	43.3 Å²	43.3	72%	0.717	23%	0.225	S	C	*	.	H	α-helix	trans	-59.1	-33.3	176.9	-65.3	-175.7	179.3	-178.1	0	112.9	D51 T56 R57	D51-K53 VanDerWaalsContact C-N 3.29Å; D51-K53 PolarHBondContact O-N 2.83Å; K53-T56 PolarHBondContact O-N 2.55Å; K53-R57 PolarHBondContact O-N 3.43Å; K53-R57 VanDerWaalsContact O-N 3.12Å
54	S	94.8	Very high	91.4	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-72.5	-38.9	178.9	-60.4	0	0	0	0	111.4	H28 D51 T52 R57 A58	H28-S54 WeakPolarHBondContact O-CA 3.38Å; D51-S54 WeakPolarHBondContact O-CB 3.37Å; D51-S54 PolarHBondContact O-N 2.86Å; D51-S54 VanDerWaalsContact O-N 3.1Å; D51-S54 PolarHBondContact OD2-OG 2.95Å; T52-S54 PolarHBondContact O-N 2.98Å; S54-R57 PolarHBondContact OG-NH2 2.75Å; S54-A58 PolarHBondContact O-N 3.02Å
55	A	93.5	Very high	91.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-38.5	170.4	0	0	0	0	0	112.4	T4 L7 F49 D51 T52 A58 V59	T4-A55 VanDerWaalsContact O-CB 3.3Å; T4-A55 WeakPolarHBondContact O-CB 3.47Å; L7-A55 HydrophobicContact CD1-CB 4.38Å; L7-A55 HydrophobicContact CD2-CB 4.04Å; L7-A55 HydrophobicContact CG-CB 4.12Å; F49-A55 HydrophobicContact CB-CB 4.24Å; F49-A55 HydrophobicContact CD2-CB 3.7Å; F49-A55 HydrophobicContact CE2-CB 4.43Å; F49-A55 HydrophobicContact CG-CB 4.2Å; D51-A55 PolarHBondContact O-N 3.35Å; T52-A55 WeakPolarHBondContact O-CB 3.47Å; T52-A55 PolarHBondContact O-N 2.79Å; T52-A55 VanDerWaalsContact O-N 3.16Å; A55-A58 WeakPolarHBondContact O-CB 3.42Å; A55-A58 PolarHBondContact O-N 3.27Å; A55-V59 PolarHBondContact O-N 3.03Å
56	T	93.1	Very high	90.9	Very high	27 Å²	27	54.3 Å²	54.3	17%	0.166	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-49.5	176.4	-60.4	0	0	0	0	112.4	V3 T52 K53 A58 V59 E60 Y74	V3-T56 VanDerWaalsContact CG1-OG1 3.26Å; V3-T56 WeakPolarHBondContact CG1-OG1 3.47Å; T52-T56 PolarHBondContact O-N 3.14Å; T52-T56 PolarHBondContact O-OG1 3.37Å; K53-T56 PolarHBondContact O-N 2.55Å; T56-A58 PolarHBondContact O-N 2.85Å; T56-V59 PolarHBondContact O-N 3.24Å; T56-E60 VanDerWaalsContact CG2-CD 3.46Å; T56-E60 HydrophobicContact CG2-CG 4.33Å; T56-E60 WeakPolarHBondContact CG2-OE1 3.45Å; T56-E60 WeakPolarHBondContact O-CG 3.14Å; T56-E60 PolarHBondContact O-N 2.87Å; T56-Y74 WeakPolarHBondContact CA-OH 3.42Å; T56-Y74 PolarHBondContact OG1-OH 2.92Å
57	R	93.4	Very high	90.3	Very high	121 Å²	121	63.4 Å²	63.4	46%	0.457	31%	0.306	S	S	.	.	H	α-helix	trans	-56.6	-34.5	173.3	-71	-173.4	-61.4	-111.1	-0.6	113	H28 K53 S54 S61	H28-R57 HydrophobicContact CB-CB 4.4Å; H28-R57 VanDerWaalsContact O-CZ 3.31Å; H28-R57 PolarHBondContact O-NE 2.93Å; H28-R57 PolarHBondContact O-NH2 3.12Å; K53-R57 PolarHBondContact O-N 3.43Å; K53-R57 VanDerWaalsContact O-N 3.12Å; S54-R57 PolarHBondContact OG-NH2 2.75Å; R57-S61 VanDerWaalsContact O-CB 3.25Å; R57-S61 WeakPolarHBondContact O-CB 3.21Å; R57-S61 PolarHBondContact O-N 3.06Å; R57-S61 VanDerWaalsContact O-N 3.13Å; R57-S61 PolarHBondContact O-OG 3.47Å
58	A	93.6	Very high	89.9	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-72.5	-32.7	177.2	0	0	0	0	0	113.4	L7 L25 H28 F49 S54 A55 T56 S61 L72	L7-A58 HydrophobicContact CD1-CB 3.71Å; L25-A58 HydrophobicContact CD2-CB 4Å; H28-A58 HydrophobicContact CB-CB 3.89Å; F49-A58 HydrophobicContact CE2-CB 3.83Å; F49-A58 HydrophobicContact CZ-CB 3.74Å; S54-A58 PolarHBondContact O-N 3.02Å; A55-A58 WeakPolarHBondContact O-CB 3.42Å; A55-A58 PolarHBondContact O-N 3.27Å; T56-A58 PolarHBondContact O-N 2.85Å; A58-S61 WeakPolarHBondContact CA-OG 3.32Å; A58-S61 PolarHBondContact O-OG 3Å; A58-S61 VanDerWaalsContact O-OG 3.07Å; A58-L72 WeakPolarHBondContact O-CD1 3.41Å
59	V	91.2	Very high	89.6	Confident	45 Å²	45	70.1 Å²	70.1	27%	0.273	34%	0.344	S	S	.	.	H	α-helix	trans	-77.7	-35.7	174.9	175.5	0	0	0	0	112	L7 A55 T56 S61 L72 Y74	L7-V59 HydrophobicContact CD1-CG2 3.73Å; L7-V59 HydrophobicContact CD2-CG2 3.34Å; L7-V59 HydrophobicContact CG-CG2 4.18Å; A55-V59 PolarHBondContact O-N 3.03Å; T56-V59 PolarHBondContact O-N 3.24Å; V59-S61 VanDerWaalsContact C-N 3.29Å; V59-L72 HydrophobicContact CG2-CB 4.3Å; V59-Y74 HydrophobicContact CB-CE2 4.24Å; V59-Y74 HydrophobicContact CG1-CE2 3.96Å; V59-Y74 HydrophobicContact CG2-CD1 4.28Å; V59-Y74 HydrophobicContact CG2-CD2 4.44Å; V59-Y74 HydrophobicContact CG2-CE1 3.93Å; V59-Y74 HydrophobicContact CG2-CE2 4.1Å
60	E	89.9	Confident	89.4	Confident	145 Å²	145	70.8 Å²	70.8	68%	0.678	35%	0.348	S	S	*	.	H	α-helix	trans	-74.7	-19.7	178.3	-68.9	167.6	170.8	0	0	112.7	T56	T56-E60 VanDerWaalsContact CG2-CD 3.46Å; T56-E60 HydrophobicContact CG2-CG 4.33Å; T56-E60 WeakPolarHBondContact CG2-OE1 3.45Å; T56-E60 WeakPolarHBondContact O-CG 3.14Å; T56-E60 PolarHBondContact O-N 2.87Å
61	S	87.4	Confident	89.1	Confident	33 Å²	33	70.6 Å²	70.6	23%	0.231	35%	0.349	C	S	.	.	S	Bend	trans	-90.3	144	175.2	55.7	0	0	0	0	112.4	H28 R57 A58 V59 V63	H28-S61 PolarHBondContact CD2-OG 2.84Å; H28-S61 VanDerWaalsContact CD2-OG 3.23Å; H28-S61 WeakPolarHBondContact NE2-CB 3.33Å; H28-S61 PolarHBondContact NE2-OG 2.79Å; R57-S61 VanDerWaalsContact O-CB 3.25Å; R57-S61 WeakPolarHBondContact O-CB 3.21Å; R57-S61 PolarHBondContact O-N 3.06Å; R57-S61 VanDerWaalsContact O-N 3.13Å; R57-S61 PolarHBondContact O-OG 3.47Å; A58-S61 WeakPolarHBondContact CA-OG 3.32Å; A58-S61 PolarHBondContact O-OG 3Å; A58-S61 VanDerWaalsContact O-OG 3.07Å; V59-S61 VanDerWaalsContact C-N 3.29Å; S61-V63 VanDerWaalsContact C-N 3.28Å; S61-V63 PolarHBondContact O-N 3.03Å; S61-V63 WeakPolarHBondContact OG-CG2 3.44Å
62	T	85.8	Confident	89.1	Confident	123 Å²	123	68 Å²	68	76%	0.755	34%	0.335	S	S	*	.			trans	-83.1	73.6	173.7	43	0	0	0	0	110.7	R64	T62-R64 WeakPolarHBondContact O-CG 3.34Å; T62-R64 PolarHBondContact O-N 2.78Å
63	V	86.4	Confident	88.9	Confident	7 Å²	7	68.2 Å²	68.2	4%	0.042	33%	0.331	C	S	.	.			trans	-62.6	132.9	-177.8	-174.5	0	0	0	0	111.4	V24 L25 S61 L70 L72	V24-V63 HydrophobicContact CG1-CG1 3.44Å; V24-V63 VanDerWaalsContact CG1-CG1 3.44Å; L25-V63 HydrophobicContact CD2-CB 4.42Å; L25-V63 HydrophobicContact CD2-CG1 3.91Å; L25-V63 HydrophobicContact CD2-CG2 3.9Å; L25-V63 HydrophobicContact CG-CG1 4.44Å; S61-V63 VanDerWaalsContact C-N 3.28Å; S61-V63 PolarHBondContact O-N 3.03Å; S61-V63 WeakPolarHBondContact OG-CG2 3.44Å; V63-L70 HydrophobicContact CB-CB 4.47Å; V63-L70 HydrophobicContact CG1-CD1 4.02Å; V63-L70 PolarHBondContact O-N 2.84Å; V63-L72 HydrophobicContact CB-CD1 3.72Å; V63-L72 HydrophobicContact CG1-CD1 4.47Å; V63-L72 HydrophobicContact CG2-CD1 3.45Å; V63-L72 VanDerWaalsContact CG2-CD1 3.45Å
64	R	85.8	Confident	88.9	Confident	153 Å²	153	61.9 Å²	61.9	58%	0.577	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.7	-177.5	-50.1	-170	68.8	-162.5	-3.7	111.7	T62 K67 V68 N69	T62-R64 WeakPolarHBondContact O-CG 3.34Å; T62-R64 PolarHBondContact O-N 2.78Å; R64-K67 PolarHBondContact NH2-O 3.19Å; R64-K67 VanDerWaalsContact NH2-O 3.12Å; R64-V68 CarbonylContact C-O 3.55Å; R64-V68 WeakPolarHBondContact CA-O 3.37Å; R64-N69 PolarHBondContact NE-OD1 3.08Å
65	L	86.7	Confident	88.5	Confident	11 Å²	11	62.3 Å²	62.3	6%	0.058	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	127.3	178.9	-178.8	62.2	0	0	0	110.2	V16 D20 I21 V24 K67 V68 L70	V16-L65 HydrophobicContact CB-CD2 4.45Å; V16-L65 HydrophobicContact CG1-CD2 3.7Å; V16-L65 HydrophobicContact CG2-CD2 3.81Å; V16-L65 HydrophobicContact CG2-CG 4.29Å; D20-L65 HydrophobicContact CB-CD1 4.16Å; I21-L65 HydrophobicContact CG1-CD2 4.23Å; V24-L65 HydrophobicContact CG2-CD1 3.79Å; L65-K67 PolarHBondContact O-N 3.23Å; L65-K67 VanDerWaalsContact O-N 3.14Å; L65-V68 PolarHBondContact N-O 3.27Å; L65-V68 PolarHBondContact O-N 3.23Å; L65-L70 HydrophobicContact CB-CD1 3.97Å; L65-L70 HydrophobicContact CB-CD2 4.01Å; L65-L70 HydrophobicContact CB-CG 4.03Å; L65-L70 HydrophobicContact CD2-CD1 4.27Å; L65-L70 HydrophobicContact CD2-CD2 4.47Å
66	K	82.6	Confident	87.7	Confident	108 Å²	108	66.1 Å²	66.1	47%	0.47	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	44.6	-178.4	-56.4	-174.8	-172.4	-178	0	113.4	P13 R15 V16 D20 V68	P13-K66 HydrophobicContact CB-CB 4.4Å; P13-K66 HydrophobicContact CG-CB 4.15Å; R15-K66 PolarHBondContact O-NZ 3.22Å; V16-K66 HydrophobicContact CG2-CD 3.89Å; D20-K66 WeakPolarHBondContact OD2-CE 3.21Å; D20-K66 IonicContact OD2-NZ 3.86Å; D20-K66 PolarHBondContact OD2-NZ 2.96Å; K66-V68 VanDerWaalsContact C-N 3.27Å; K66-V68 PolarHBondContact O-N 2.85Å
67	K	80.4	Confident	86.4	Confident	190 Å²	190	68.5 Å²	68.5	83%	0.826	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	-17.2	-174.9	-54.2	178.8	-179.8	177.5	0	116.9	R64 L65	R64-K67 PolarHBondContact NH2-O 3.19Å; R64-K67 VanDerWaalsContact NH2-O 3.12Å; L65-K67 PolarHBondContact O-N 3.23Å; L65-K67 VanDerWaalsContact O-N 3.14Å
68	V	84.2	Confident	84.8	Confident	54 Å²	54	65.3 Å²	65.3	33%	0.327	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	143	175.3	-177.7	0	0	0	0	110.2	P13 R64 L65 K66	P13-V68 HydrophobicContact CB-CG2 4.41Å; P13-V68 HydrophobicContact CG-CB 3.96Å; P13-V68 HydrophobicContact CG-CG2 3.84Å; R64-V68 CarbonylContact C-O 3.55Å; R64-V68 WeakPolarHBondContact CA-O 3.37Å; L65-V68 PolarHBondContact N-O 3.27Å; L65-V68 PolarHBondContact O-N 3.23Å; K66-V68 VanDerWaalsContact C-N 3.27Å; K66-V68 PolarHBondContact O-N 2.85Å
69	N	87.9	Confident	82.8	Confident	87 Å²	87	67 Å²	67	47%	0.465	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	124.6	171.6	-61.4	-1.1	0	0	0	108.4	N11 R64 S71	N11-N69 PolarHBondContact ND2-O 2.65Å; R64-N69 PolarHBondContact NE-OD1 3.08Å; N69-S71 PolarHBondContact O-N 3.09Å
70	L	89.8	Confident	81.1	Confident	15 Å²	15	69.3 Å²	69.3	8%	0.079	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-77.9	122.4	-176.1	-62	-173.8	0	0	0	111	I9 L12 V63 L65 L72	I9-L70 HydrophobicContact CD1-CD1 4.32Å; I9-L70 HydrophobicContact CG2-CB 4.28Å; I9-L70 HydrophobicContact CG2-CD2 4.02Å; L12-L70 HydrophobicContact CD2-CD2 4.21Å; V63-L70 HydrophobicContact CB-CB 4.47Å; V63-L70 HydrophobicContact CG1-CD1 4.02Å; V63-L70 PolarHBondContact O-N 2.84Å; L65-L70 HydrophobicContact CB-CD1 3.97Å; L65-L70 HydrophobicContact CB-CD2 4.01Å; L65-L70 HydrophobicContact CB-CG 4.03Å; L65-L70 HydrophobicContact CD2-CD1 4.27Å; L65-L70 HydrophobicContact CD2-CD2 4.47Å; L70-L72 HydrophobicContact CB-CG 4.32Å; L70-L72 PolarHBondContact O-N 2.88Å
71	S	88.7	Confident	79.4	Confident	52 Å²	52	64.7 Å²	64.7	36%	0.364	35%	0.347	S	S	.	.			trans	-76.2	85.9	171	166.4	0	0	0	0	109.3	N10 N11 N69	N10-S71 PolarHBondContact N-O 3.4Å; N10-S71 PolarHBondContact ND2-OG 3.44Å; N11-S71 WeakPolarHBondContact OD1-CB 3.42Å; N11-S71 PolarHBondContact OD1-N 3.07Å; N69-S71 PolarHBondContact O-N 3.09Å
72	L	91.2	Very high	77.2	Confident	23 Å²	23	66.4 Å²	66.4	12%	0.12	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130	176.9	-71.3	158.3	0	0	0	111.2	L7 W8 I9 L25 A58 V59 V63 L70	L7-L72 HydrophobicContact CB-CD2 4.1Å; L7-L72 HydrophobicContact CD1-CB 4.46Å; L7-L72 HydrophobicContact CD1-CD2 3.89Å; W8-L72 WeakPolarHBondContact O-CA 3.4Å; I9-L72 HydrophobicContact CD1-CD2 4.19Å; I9-L72 HydrophobicContact CG1-CD2 3.52Å; I9-L72 HydrophobicContact CG1-CG 4.46Å; L25-L72 HydrophobicContact CD1-CD2 4.32Å; L25-L72 HydrophobicContact CD2-CD1 3.97Å; L25-L72 HydrophobicContact CD2-CD2 4.39Å; A58-L72 WeakPolarHBondContact O-CD1 3.41Å; V59-L72 HydrophobicContact CG2-CB 4.3Å; V63-L72 HydrophobicContact CB-CD1 3.72Å; V63-L72 HydrophobicContact CG1-CD1 4.47Å; V63-L72 HydrophobicContact CG2-CD1 3.45Å; V63-L72 VanDerWaalsContact CG2-CD1 3.45Å; L70-L72 HydrophobicContact CB-CG 4.32Å; L70-L72 PolarHBondContact O-N 2.88Å
73	Q	88.7	Confident	75	Confident	71 Å²	71	65.2 Å²	65.2	33%	0.332	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	134.8	-174.3	-175	175.6	-10.4	0	0	110	M1 L7 W8 N10	M1-Q73 HydrophobicContact CE-CG 3.69Å; M1-Q73 HydrophobicContact SD-CG 3.6Å; L7-Q73 CarbonylContact C-O 3.54Å; L7-Q73 WeakPolarHBondContact CA-O 3.45Å; W8-Q73 PolarHBondContact N-O 2.81Å; W8-Q73 PolarHBondContact O-N 3.39Å; N10-Q73 PolarHBondContact ND2-OE1 2.74Å
74	Y	91.9	Very high	72.3	Confident	33 Å²	33	71.7 Å²	71.7	13%	0.129	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	138	177.2	-61	-77.5	0	0	0	111.7	M1 R2 V3 T4 L7 T56 V59	M1-Y74 HydrophobicContact SD-CD2 4.27Å; R2-Y74 VanDerWaalsContact O-CB 3.23Å; R2-Y74 WeakPolarHBondContact O-CB 3.45Å; V3-Y74 HydrophobicContact CB-CE1 4.31Å; V3-Y74 HydrophobicContact CG1-CE1 3.73Å; V3-Y74 HydrophobicContact CG2-CE2 4.16Å; T4-Y74 VanDerWaalsContact N-CD1 3.33Å; T4-Y74 WeakPolarHBondContact O-CD1 3.39Å; L7-Y74 HydrophobicContact CD2-CD1 3.48Å; L7-Y74 VanDerWaalsContact CD2-CD1 3.48Å; L7-Y74 HydrophobicContact CD2-CE1 3.89Å; L7-Y74 HydrophobicContact CD2-CG 4.19Å; T56-Y74 WeakPolarHBondContact CA-OH 3.42Å; T56-Y74 PolarHBondContact OG1-OH 2.92Å; V59-Y74 HydrophobicContact CB-CE2 4.24Å; V59-Y74 HydrophobicContact CG1-CE2 3.96Å; V59-Y74 HydrophobicContact CG2-CD1 4.28Å; V59-Y74 HydrophobicContact CG2-CD2 4.44Å; V59-Y74 HydrophobicContact CG2-CE1 3.93Å; V59-Y74 HydrophobicContact CG2-CE2 4.1Å
75	C	87.2	Confident	69.6	Low	10 Å²	10	68.3 Å²	68.3	7%	0.068	40%	0.398	C	S	.	.			trans	-125.9	152.4	171.8	65.6	0	0	0	0	112	T4 Y6 W8	T4-C75 WeakPolarHBondContact CB-O 3.43Å; T4-C75 WeakPolarHBondContact CG2-O 3.31Å; T4-C75 PolarHBondContact OG1-O 3.24Å; Y6-C75 VanDerWaalsContact CB-SG 3.53Å; Y6-C75 PolarHBondContact O-N 3.17Å; W8-C75 HydrophobicContact CB-CB 4.31Å
76	E	76.8	Confident	67	Low	80 Å²	80	73.5 Å²	73.5	37%	0.374	44%	0.435	S	S	.	.	S	Bend	trans	-89.3	2.7	-175.6	-62	-160.9	142.1	0	0	113.9	R2 T4 Q207	R2-E76 WeakPolarHBondContact CD-OE1 3.12Å; R2-E76 IonicContact CZ-OE1 3.74Å; R2-E76 IonicContact NE-OE1 3.16Å; R2-E76 IonicContact NH1-OE1 3.64Å; R2-E76 PolarHBondContact NH1-OE1 3.13Å; R2-E76 IonicContact NH1-OE2 2.61Å; T4-E76 HydrophobicContact CG2-CG 4.48Å; E76-Q207 PolarHBondContact OE2-NE2 2.76Å
77	S	64.9	Low	64.5	Low	77 Å²	77	76 Å²	76	54%	0.538	45%	0.454	S	S	.	.	S	Bend	trans	-158.4	165.1	-174.2	-87.6	0	0	0	0	114.6	G79	S77-G79 PolarHBondContact O-N 3.3Å
78	S	59.9	Low	62.3	Low	54 Å²	54	75.7 Å²	75.7	38%	0.378	46%	0.455	S	S	.	.	S	Bend	trans	-74.5	-3.7	-178.2	-83.5	0	0	0	0	115.7	R35	R35-S78 PolarHBondContact NE-O 3.1Å; R35-S78 PolarHBondContact NH2-O 3.37Å; R35-S78 PolarHBondContact NH2-OG 3.15Å
79	G	50.8	Low	59.7	Low	37 Å²	37	81.3 Å²	81.3	38%	0.381	48%	0.482	S	S	.	.	S	Bend	trans	-109.8	174	176.5	0	0	0	0	0	112.5	S77	S77-G79 PolarHBondContact O-N 3.3Å
80	I	56.8	Low	57	Low	92 Å²	92	82 Å²	82	47%	0.472	50%	0.5	S	S	.	.			trans	-53.2	129.3	-179.3	-48.7	172.4	0	0	0	110.3	W8 H37 G82	W8-I80 HydrophobicContact CH2-CG2 3.94Å; W8-I80 HydrophobicContact CZ2-CG2 4.31Å; W8-I80 HydrophobicContact CZ3-CG2 4.38Å; H37-I80 HydrophobicContact CB-CD1 4.37Å; H37-I80 HydrophobicContact CB-CG1 4.36Å; H37-I80 WeakPolarHBondContact CD2-CG1 3.46Å; I80-G82 PolarHBondContact O-N 2.86Å
81	P	52.6	Low	54.3	Low	48 Å²	48	86.6 Å²	86.6	31%	0.312	53%	0.529	S	S	.	.			trans	-65.8	123.6	165.7	28.7	-31.7	0	0	0	108.6	W8 T83	W8-P81 HydrophobicContact CB-CG 4.1Å; W8-P81 HydrophobicContact CD2-CG 3.69Å; W8-P81 HydrophobicContact CE3-CG 4.32Å; W8-P81 HydrophobicContact CG-CG 3.57Å; P81-T83 PolarHBondContact O-N 3.44Å
82	G	42.8	Very low	51.5	Low	70 Å²	70	89.2 Å²	89.2	72%	0.722	54%	0.544	S	S	*	.			trans	-57	107.8	-171.1	0	0	0	0	0	112.6	I80 N84	I80-G82 PolarHBondContact O-N 2.86Å; G82-N84 PolarHBondContact O-N 2.88Å; G82-N84 VanDerWaalsContact O-N 3.12Å
83	T	39.6	Very low	48.7	Very low	97 Å²	97	95.9 Å²	95.9	60%	0.595	58%	0.579	S	S	*	*			trans	-74.9	99.6	173.8	49.1	0	0	0	0	108.8	P81 S85	P81-T83 PolarHBondContact O-N 3.44Å; T83-S85 PolarHBondContact O-N 2.98Å
84	N	29	Very low	45.8	Very low	143 Å²	143	99.4 Å²	99.4	77%	0.765	60%	0.601	S	S	*	*			trans	-67.8	72.3	169.5	-72.6	-10.2	0	0	0	109.5	G82	G82-N84 PolarHBondContact O-N 2.88Å; G82-N84 VanDerWaalsContact O-N 3.12Å
85	S	30.2	Very low	43	Very low	83 Å²	83	108.4 Å²	108.4	58%	0.58	64%	0.636	S	S	*	*			trans	-146.5	50.1	-171.8	65.6	0	0	0	0	112.2	T83	T83-S85 PolarHBondContact O-N 2.98Å
86	S	31.8	Very low	40.4	Very low	119 Å²	119	113 Å²	113	83%	0.832	66%	0.664	S	S	*	*	S	Bend	trans	-150.9	45.9	165.9	-72.8	0	0	0	0	111
87	D	30.4	Very low	38.2	Very low	162 Å²	162	117.4 Å²	117.4	87%	0.866	69%	0.685	S	S	*	*	S	Bend	trans	-157.9	48.7	160.3	-109.1	-22.4	0	0	0	110.3
88	Q	32.6	Very low	36.6	Very low	183 Å²	183	119 Å²	119	86%	0.855	69%	0.691	S	S	*	*			trans	-161.9	77.7	168	-125.3	170.9	101.8	0	0	110.5
89	L	29.9	Very low	35.2	Very low	171 Å²	171	120.6 Å²	120.6	90%	0.895	70%	0.702	S	S	*	*			trans	-123.5	56.7	176.5	-130.6	173.6	0	0	0	111
90	A	30.6	Very low	34.4	Very low	102 Å²	102	125.6 Å²	125.6	84%	0.843	72%	0.72	S	S	*	*			trans	-142.9	42.7	169.8	0	0	0	0	0	110.6
91	T	34.7	Very low	33.4	Very low	112 Å²	112	126.8 Å²	126.8	69%	0.687	73%	0.732	S	S	*	*			trans	-70	164.9	153.6	51.1	0	0	0	0	108.7
92	P	29.6	Very low	32.6	Very low	106 Å²	106	128.8 Å²	128.8	69%	0.688	75%	0.747	S	S	*	*			cis	-137.3	162.4	17.7	39.2	-20.6	0	0	0	118
93	L	32.8	Very low	32.2	Very low	163 Å²	163	132.6 Å²	132.6	85%	0.853	75%	0.75	S	S	*	*			trans	60.2	136.5	146.8	-94.4	69.1	0	0	0	120.4	Y95	L93-Y95 PolarHBondContact O-N 3.4Å
94	D	27.4	Very low	31.9	Very low	146 Å²	146	134.5 Å²	134.5	78%	0.781	76%	0.756	S	S	*	*			trans	-50.3	131.8	146.9	-66.2	-75.5	0	0	0	110.6
95	Y	31.8	Very low	32.1	Very low	222 Å²	222	135.9 Å²	135.9	87%	0.871	76%	0.758	S	S	*	*				-160.5	148.4	112.5	-116.1	-82.6	0	0	0	111.1	L93	L93-Y95 PolarHBondContact O-N 3.4Å
96	T	32.6	Very low	32.3	Very low	107 Å²	107	137.3 Å²	137.3	66%	0.656	77%	0.768	S	S	*	*			trans	-68.3	140	-172.3	51.1	0	0	0	0	115.2
97	Q	30.7	Very low	32.2	Very low	172 Å²	172	139.4 Å²	139.4	80%	0.804	77%	0.77	S	S	*	*			trans	63.4	147.5	140.5	-65.8	-178.6	12.3	0	0	117.3
98	T	32.2	Very low	32.5	Very low	110 Å²	110	138.1 Å²	138.1	68%	0.675	77%	0.768	S	S	*	*			cis	-161.6	158.5	8.7	-2	0	0	0	0	110.7
99	S	31.3	Very low	32.5	Very low	87 Å²	87	136.1 Å²	136.1	61%	0.608	76%	0.763	S	S	*	*			trans	63.1	129.1	139.6	-64.1	0	0	0	0	122.9
100	N	32.9	Very low	32.5	Very low	143 Å²	143	138.2 Å²	138.2	77%	0.765	76%	0.76	S	S	*	*			trans	76.5	142.2	138.3	-59.1	0.5	0	0	0	117.9
101	T	37	Very low	32.5	Very low	116 Å²	116	137.8 Å²	137.8	71%	0.712	75%	0.751	S	S	*	*			cis	-154.1	136.5	4.9	-5.6	0	0	0	0	113.4
102	S	34.4	Very low	32.3	Very low	91 Å²	91	142.4 Å²	142.4	64%	0.636	76%	0.756	S	S	*	*			trans	59.7	139.1	134.8	70.3	0	0	0	0	123.9
103	L	34	Very low	32.4	Very low	149 Å²	149	145.6 Å²	145.6	78%	0.78	76%	0.761	S	S	*	*			trans	72.5	128.7	142.6	-69.9	162.8	0	0	0	117.1
104	L	35.1	Very low	32.5	Very low	137 Å²	137	147.5 Å²	147.5	72%	0.717	76%	0.763	S	S	*	*			cis	-141.6	126.9	7.2	-84.3	144.4	0	0	0	108.7
105	Q	32.6	Very low	33	Very low	172 Å²	172	145.2 Å²	145.2	80%	0.804	76%	0.758	S	S	*	*				82	92.3	84.9	-170.6	-170.7	-8	0	0	115.7
106	S	33.3	Very low	33.2	Very low	114 Å²	114	146.8 Å²	146.8	80%	0.797	76%	0.763	S	S	*	*			trans	-173.8	80	137.2	62.4	0	0	0	0	112.6
107	D	31	Very low	33.3	Very low	163 Å²	163	146.5 Å²	146.5	87%	0.872	77%	0.765	S	S	*	*			trans	-98.4	132.1	170.5	-81.1	-62.9	0	0	0	111.5
108	V	36.6	Very low	33.5	Very low	135 Å²	135	144.8 Å²	144.8	82%	0.818	77%	0.766	S	S	*	*			trans	-150.7	103.2	162.9	-107.8	0	0	0	0	112.4
109	N	32.9	Very low	33.6	Very low	141 Å²	141	144.1 Å²	144.1	75%	0.754	77%	0.765	S	S	*	*			trans	40.2	116.5	137.6	-81.4	-25.2	0	0	0	121.8
110	Y	30.1	Very low	33.8	Very low	214 Å²	214	146.1 Å²	146.1	84%	0.839	77%	0.774	S	S	*	*				64.7	121.3	125.1	-96.9	-96.1	0	0	0	121.7
111	S	29.6	Very low	34.1	Very low	94 Å²	94	145.1 Å²	145.1	66%	0.657	77%	0.773	S	S	*	*			trans	88.2	127.5	133.7	-141.3	0	0	0	0	120.5
112	R	30.6	Very low	34.1	Very low	208 Å²	208	143.9 Å²	143.9	79%	0.785	77%	0.769	S	S	*	*			trans	76.7	114.3	138.1	-161.2	173	-68.9	-162.2	-2	119.7
113	H	32.3	Very low	34.1	Very low	174 Å²	174	146 Å²	146	81%	0.806	77%	0.773	S	S	*	*			trans	26.6	132.6	152.2	-47.1	-54.7	0	0	0	120.8
114	K	33.8	Very low	34.3	Very low	202 Å²	202	144.1 Å²	144.1	88%	0.878	77%	0.773	S	S	*	*			trans	-142.6	105.4	140.1	-154.5	158.1	-170.7	171.1	0	113.7
115	S	39	Very low	34.4	Very low	98 Å²	98	141.9 Å²	141.9	69%	0.685	77%	0.769	S	S	*	*			trans	-66.1	153.6	164	-48.5	0	0	0	0	110.4
116	R	34.7	Very low	34.4	Very low	256 Å²	256	138.6 Å²	138.6	97%	0.966	76%	0.764	S	S	*	*			trans	-73.8	149.9	159.5	-90.4	-177.3	167.7	163.3	-2.9	110.1
117	S	34.6	Very low	34.5	Very low	101 Å²	101	138 Å²	138	71%	0.706	76%	0.756	S	S	*	*			trans	-145.6	145.8	-153	55.5	0	0	0	0	113.4
118	V	36.2	Very low	34.6	Very low	136 Å²	136	138.4 Å²	138.4	82%	0.824	75%	0.75	S	S	*	*			trans	-139.3	86.2	162.2	-178	0	0	0	0	104.5
119	S	33.8	Very low	34.5	Very low	95 Å²	95	139.1 Å²	139.1	66%	0.664	74%	0.744	S	S	*	*				64.1	126.1	90.5	73.7	0	0	0	0	113
120	T	34.7	Very low	34.5	Very low	130 Å²	130	138.5 Å²	138.5	80%	0.798	74%	0.741	S	S	*	*			cis	-139.4	179.9	2.1	54.9	0	0	0	0	108.3
121	V	39.7	Very low	34.8	Very low	122 Å²	122	132.7 Å²	132.7	74%	0.739	73%	0.732	S	S	*	*			cis	-127.5	175.8	9.9	-70.8	0	0	0	0	109
122	S	36.2	Very low	35.2	Very low	90 Å²	90	135.2 Å²	135.2	63%	0.629	73%	0.733	S	S	*	*			cis	76.5	130.7	26.4	-73.8	0	0	0	0	115.8
123	D	35.6	Very low	35.5	Very low	134 Å²	134	131.4 Å²	131.4	72%	0.717	73%	0.729	S	S	*	*			cis	-156.8	159.8	0.4	-94.5	-23.1	0	0	0	113.2
124	S	38.9	Very low	35.6	Very low	110 Å²	110	129.1 Å²	129.1	77%	0.769	72%	0.722	S	S	*	*			trans	62	159.2	142	-69.7	0	0	0	0	123
125	S	35.9	Very low	35.7	Very low	91 Å²	91	126.7 Å²	126.7	64%	0.636	71%	0.714	S	S	*	*			cis	-176.3	149.2	-27.9	55.6	0	0	0	0	111.9
126	S	33.3	Very low	35.6	Very low	102 Å²	102	129.7 Å²	129.7	71%	0.713	72%	0.717	S	S	*	*			trans	63	171.3	160.8	60.6	0	0	0	0	116.2
127	V	35.4	Very low	35.6	Very low	102 Å²	102	122.7 Å²	122.7	62%	0.618	70%	0.703	S	S	*	*			cis	-150.1	119.8	31.3	172	0	0	0	0	112.7
128	F	32.5	Very low	35.5	Very low	172 Å²	172	124.8 Å²	124.8	75%	0.754	71%	0.706	S	S	*	*			trans	60.9	172.3	147.8	-48.2	173.2	0	0	0	117.9
129	H	35.6	Very low	35.5	Very low	150 Å²	150	124.3 Å²	124.3	69%	0.694	70%	0.704	S	S	*	*			cis	-140.5	160.1	6.5	-136.3	-63.9	0	0	0	113.9
130	N	31.3	Very low	35.2	Very low	128 Å²	128	124.8 Å²	124.8	68%	0.684	71%	0.706	S	S	*	*			trans	-54.5	162.6	-173.7	-46.5	-14.8	0	0	0	118
131	S	37	Very low	35	Very low	92 Å²	92	126.3 Å²	126.3	64%	0.643	71%	0.709	S	S	*	*				138	140.3	122.4	-76.5	0	0	0	0	113.4
132	E	38.1	Very low	34.5	Very low	146 Å²	146	125 Å²	125	68%	0.682	71%	0.705	S	S	*	*			cis	-170.4	144.4	-13.5	-123.4	169.9	101.6	0	0	109.2
133	N	36.6	Very low	34.3	Very low	129 Å²	129	128.9 Å²	128.9	69%	0.69	71%	0.713	S	S	*	*			trans	62.1	155.5	157.1	-45.5	-32.2	0	0	0	116.5
134	N	35.4	Very low	34.1	Very low	126 Å²	126	128 Å²	128	67%	0.674	71%	0.712	S	S	*	*			cis	-147.8	176.5	-11.6	-144.1	13.4	0	0	0	111.8
135	E	35.2	Very low	33.8	Very low	150 Å²	150	128.1 Å²	128.1	70%	0.701	71%	0.709	S	S	*	*			trans	-14.6	155.5	150.5	-63.5	162.9	143.2	0	0	118
136	Q	37.1	Very low	33.6	Very low	161 Å²	161	130.1 Å²	130.1	75%	0.752	71%	0.712	S	S	*	*			cis	-177.7	-175.6	-14	-169.9	164.9	0.3	0	0	106.5
137	T	34.5	Very low	33.6	Very low	110 Å²	110	134.7 Å²	134.7	68%	0.675	71%	0.714	S	S	*	*			trans	66.4	102.5	165.9	62.9	0	0	0	0	120.2
138	D	32.9	Very low	33.6	Very low	144 Å²	144	135.6 Å²	135.6	77%	0.77	72%	0.715	S	S	*	*				67.1	164.7	119.4	-57.1	-37.8	0	0	0	125
139	T	35.1	Very low	33.9	Very low	126 Å²	126	137.1 Å²	137.1	77%	0.773	72%	0.717	S	S	*	*			trans	71.9	79.2	167.2	47.3	0	0	0	0	120.4
140	C	28.2	Very low	34	Very low	105 Å²	105	134.9 Å²	134.9	71%	0.709	72%	0.716	S	S	*	*				30.6	125.4	125.8	64.5	0	0	0	0	122.6
141	L	31.4	Very low	34.3	Very low	163 Å²	163	137 Å²	137	85%	0.853	72%	0.719	S	S	*	*			trans	82.5	129.8	138.9	-66.6	167.1	0	0	0	122.1
142	S	29.3	Very low	34.3	Very low	95 Å²	95	138.3 Å²	138.3	66%	0.664	72%	0.719	S	S	*	*			trans	87.9	123	148.8	75.4	0	0	0	0	121
143	H	31.3	Very low	34.3	Very low	171 Å²	171	139.4 Å²	139.4	79%	0.792	72%	0.722	S	S	*	*			trans	39.9	135.3	130.5	-52	-46.6	0	0	0	120.4
144	T	30.7	Very low	34.4	Very low	114 Å²	114	142.9 Å²	142.9	70%	0.699	73%	0.731	S	S	*	*			cis	-172.3	157.2	10	5.8	0	0	0	0	114.6
145	T	33.2	Very low	34.4	Very low	114 Å²	114	143 Å²	143	70%	0.699	73%	0.73	S	S	*	*			trans	77.9	143.1	145.3	58.4	0	0	0	0	124.4
146	N	31.1	Very low	34.6	Very low	133 Å²	133	141.4 Å²	141.4	71%	0.711	73%	0.731	S	S	*	*			trans	74	149.2	150.5	-73.8	-40.4	0	0	0	117.8
147	R	34	Very low	34.4	Very low	198 Å²	198	139.9 Å²	139.9	75%	0.747	73%	0.728	S	S	*	*			cis	-161.6	169.3	6.9	-132.8	175	-165	178.1	1	112.9
148	N	35.7	Very low	34.7	Very low	120 Å²	120	141.4 Å²	141.4	64%	0.642	73%	0.729	S	S	*	*			trans	71.3	158.5	158.2	-54.4	-9.6	0	0	0	118
149	Y	37.7	Very low	34.6	Very low	205 Å²	205	141.1 Å²	141.1	80%	0.804	73%	0.727	S	S	*	*			cis	-164	-174.6	-39.1	-98	-44.6	0	0	0	108.2
150	P	37.5	Very low	34.5	Very low	103 Å²	103	139.2 Å²	139.2	67%	0.669	72%	0.724	S	S	*	*				-131.6	-163.1	-108.3	36.4	-10.8	0	0	0	116.4
151	K	39	Very low	34.4	Very low	171 Å²	171	139.4 Å²	139.4	74%	0.743	73%	0.727	S	S	*	*			trans	75.9	153.8	161.1	-75.6	166.9	149.9	-92.8	0	117.6
152	D	37.4	Very low	34.3	Very low	121 Å²	121	136.1 Å²	136.1	65%	0.647	72%	0.715	S	S	*	*			cis	-145.7	-178.2	-0.2	-117.8	-36.4	0	0	0	112.9
153	F	37.9	Very low	34.1	Very low	168 Å²	168	141.7 Å²	141.7	74%	0.737	72%	0.722	S	S	*	*			trans	-93.3	148.9	-161.8	-78.5	-105.7	0	0	0	119.3	I155	F153-I155 HydrophobicContact CD1-CD1 4Å; F153-I155 HydrophobicContact CD1-CG1 4.27Å
154	K	38	Very low	34.2	Very low	202 Å²	202	143.9 Å²	143.9	88%	0.878	73%	0.729	S	S	*	*				174.4	107.1	129	-95.1	159.4	-176.1	177.2	0	109.4
155	I	36.1	Very low	34.4	Very low	130 Å²	130	145.6 Å²	145.6	67%	0.667	73%	0.729	S	S	*	*				75.6	133.5	66.3	-62.3	177.4	0	0	0	113.7	F153	F153-I155 HydrophobicContact CD1-CD1 4Å; F153-I155 HydrophobicContact CD1-CG1 4.27Å
156	T	38.1	Very low	34.8	Very low	116 Å²	116	145.4 Å²	145.4	71%	0.712	72%	0.724	S	S	*	*			trans	75.8	133.7	-168.4	72.4	0	0	0	0	114.8
157	N	33.6	Very low	36	Very low	129 Å²	129	144 Å²	144	69%	0.69	71%	0.713	S	S	*	*	S	Bend	cis	-154.6	138.7	-14.3	-100.3	-13.7	0	0	0	106.8
158	M	40.3	Very low	37.7	Very low	141 Å²	141	136.7 Å²	136.7	70%	0.695	69%	0.687	S	S	*	*			cis	-137.6	147.8	1.8	-93	-68.4	-173.9	0	0	111.7
159	N	30.9	Very low	39.9	Very low	138 Å²	138	135.4 Å²	135.4	74%	0.738	67%	0.674	S	S	*	*			trans	14.8	109.9	146.2	-56.3	-10.9	0	0	0	118.4
160	A	32.3	Very low	42.3	Very low	86 Å²	86	125.6 Å²	125.6	71%	0.711	64%	0.635	S	S	*	*				91.3	128.9	73.5	0	0	0	0	0	111.9
161	S	26.1	Very low	44.9	Very low	110 Å²	110	120.8 Å²	120.8	77%	0.769	60%	0.604	S	S	*	*			cis	70.4	132.7	48.3	-171.6	0	0	0	0	113.1
162	P	30.3	Very low	47.5	Very low	93 Å²	93	116 Å²	116	60%	0.604	58%	0.583	S	S	*	*			cis	-132.1	-176.4	-25.2	40	-24.6	0	0	0	112.4
163	R	25.8	Very low	50.1	Low	212 Å²	212	110.2 Å²	110.2	80%	0.8	55%	0.552	S	S	*	*			trans	41.4	92.9	156.8	-62.3	169.9	-172.4	165.5	1.2	116.8
164	F	31.8	Very low	52.7	Low	217 Å²	217	102.9 Å²	102.9	95%	0.952	52%	0.522	S	S	*	.			trans	-102.7	123.6	137	-84.2	-81.5	0	0	0	108
165	Q	35.1	Very low	55.2	Low	150 Å²	150	98.8 Å²	98.8	70%	0.701	51%	0.506	S	S	*	.			trans	-80.1	157	-171.1	-67.7	159.8	-56.5	0	0	109.9	E167	Q165-E167 PolarHBondContact O-N 3.13Å
166	N	43.3	Very low	57.8	Low	111 Å²	111	92.9 Å²	92.9	59%	0.594	48%	0.475	S	S	*	.			trans	-41.8	113.3	-178.6	-57.4	6.8	0	0	0	111.7	H168	N166-H168 VanDerWaalsContact CB-NE2 3.27Å; N166-H168 WeakPolarHBondContact CB-NE2 3.2Å; N166-H168 PolarHBondContact ND2-NE2 2.93Å; N166-H168 PolarHBondContact O-CD2 3.11Å; N166-H168 PolarHBondContact O-N 3.47Å
167	E	55	Low	60.3	Low	102 Å²	102	87.8 Å²	87.8	48%	0.477	44%	0.444	S	S	.	.			trans	-73.3	75	176.3	-77.5	-141.6	133.7	0	0	110.7	Q165 R169 S220	Q165-E167 PolarHBondContact O-N 3.13Å; E167-R169 HydrophobicContact CB-CG 4.44Å; E167-R169 PolarHBondContact O-N 3.22Å; E167-R169 IonicContact OE2-CZ 2.74Å; E167-R169 IonicContact OE2-NE 2.71Å; E167-R169 PolarHBondContact OE2-NE 3.31Å; E167-R169 IonicContact OE2-NH2 3.32Å; E167-R169 PolarHBondContact OE2-NH2 2.91Å; E167-S220 VanDerWaalsContact OE1-CB 3.28Å; E167-S220 WeakPolarHBondContact OE1-CB 3.45Å; E167-S220 PolarHBondContact OE1-OG 2.91Å
168	H	69.3	Low	62.8	Low	45 Å²	45	85.4 Å²	85.4	21%	0.208	43%	0.431	C	S	.	.			trans	-69.3	78.8	175.2	-68.2	-59.5	0	0	0	110.4	N166 G170 A223 P244 H245	N166-H168 VanDerWaalsContact CB-NE2 3.27Å; N166-H168 WeakPolarHBondContact CB-NE2 3.2Å; N166-H168 PolarHBondContact ND2-NE2 2.93Å; N166-H168 PolarHBondContact O-CD2 3.11Å; N166-H168 PolarHBondContact O-N 3.47Å; H168-G170 PolarHBondContact O-N 2.84Å; H168-A223 WeakPolarHBondContact O-CB 3.46Å; H168-P244 HydrophobicContact CB-CB 3.79Å; H168-H245 CarbonylContact C-O 3.56Å; H168-H245 VanDerWaalsContact C-O 3.28Å; H168-H245 VanDerWaalsContact CA-O 3.27Å; H168-H245 WeakPolarHBondContact CA-O 3.46Å; H168-H245 WeakPolarHBondContact CB-O 3.28Å
169	R	82	Confident	64.9	Low	93 Å²	93	90.7 Å²	90.7	35%	0.351	44%	0.443	S	S	.	.			trans	-70.6	4.6	-177.8	-71.7	173.5	175.5	-144.2	-0.3	113.7	E167 F217	E167-R169 HydrophobicContact CB-CG 4.44Å; E167-R169 PolarHBondContact O-N 3.22Å; E167-R169 IonicContact OE2-CZ 2.74Å; E167-R169 IonicContact OE2-NE 2.71Å; E167-R169 PolarHBondContact OE2-NE 3.31Å; E167-R169 IonicContact OE2-NH2 3.32Å; E167-R169 PolarHBondContact OE2-NH2 2.91Å; R169-F217 PolarHBondContact O-N 2.75Å
170	G	88.6	Confident	67.7	Low	0 Å²	0	84.9 Å²	84.9	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	177.2	175.6	0	0	0	0	0	114.9	H168 I215 H245	H168-G170 PolarHBondContact O-N 2.84Å; G170-I215 CarbonylContact C-O 3.37Å; G170-I215 WeakPolarHBondContact CA-O 3.13Å; G170-H245 CarbonylContact C-O 3.51Å; G170-H245 PolarHBondContact N-O 2.9Å; G170-H245 PolarHBondContact O-N 3.26Å
171	L	92.7	Very high	70.4	Confident	1 Å²	1	83.2 Å²	83.2	1%	0.005	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	133.7	177.4	-59.2	179.9	0	0	0	109.6	I173 Y193 I214 I215 F217 A226 L227 V242 Q243	L171-I173 HydrophobicContact CB-CG1 4.45Å; L171-Y193 HydrophobicContact CD1-CD1 3.86Å; L171-Y193 HydrophobicContact CD1-CE1 3.7Å; L171-I214 WeakPolarHBondContact O-CA 3.31Å; L171-I215 PolarHBondContact N-O 3.1Å; L171-I215 PolarHBondContact O-N 2.74Å; L171-F217 HydrophobicContact CD1-CE2 3.99Å; L171-F217 HydrophobicContact CG-CE2 4.15Å; L171-A226 HydrophobicContact CD1-CB 3.66Å; L171-L227 HydrophobicContact CD2-CB 3.69Å; L171-L227 HydrophobicContact CD2-CD1 4.03Å; L171-L227 HydrophobicContact CD2-CG 4.39Å; L171-V242 HydrophobicContact CB-CG1 4.02Å; L171-V242 HydrophobicContact CD1-CG1 4.09Å; L171-V242 HydrophobicContact CD2-CG1 4.11Å; L171-V242 HydrophobicContact CG-CG1 4.31Å; L171-Q243 WeakPolarHBondContact CA-O 3.44Å
172	K	92.5	Very high	73.5	Confident	70 Å²	70	80 Å²	80	30%	0.304	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	116.7	165.5	178.8	-175.6	174.4	-168.6	0	107.9	V242 Q243 H245	K172-V242 WeakPolarHBondContact O-CA 3.49Å; K172-Q243 HydrophobicContact CB-CB 4.41Å; K172-Q243 PolarHBondContact N-O 2.89Å; K172-Q243 PolarHBondContact O-N 3.28Å; K172-H245 HydrophobicContact CB-CB 4.24Å
173	I	93.5	Very high	76.2	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.2	178.6	-52.9	-177	0	0	0	107.8	L171 L176 L189 Y193 I212 C213 I215 I240 S241 V242	L171-I173 HydrophobicContact CB-CG1 4.45Å; I173-L176 HydrophobicContact CG2-CD2 3.68Å; I173-L176 HydrophobicContact CG2-CG 4.46Å; I173-L189 HydrophobicContact CD1-CD1 4.37Å; I173-L189 HydrophobicContact CD1-CD2 3.85Å; I173-Y193 HydrophobicContact CD1-CD2 4Å; I173-Y193 HydrophobicContact CD1-CE2 3.39Å; I173-I212 CarbonylContact O-C 3.38Å; I173-I212 WeakPolarHBondContact O-CA 3.4Å; I173-I212 WeakPolarHBondContact O-CB 3.48Å; I173-C213 HydrophobicContact CB-CB 4.38Å; I173-C213 PolarHBondContact N-O 3.39Å; I173-C213 PolarHBondContact O-N 3.24Å; I173-I215 HydrophobicContact CD1-CD1 3.57Å; I173-I215 HydrophobicContact CD1-CG1 4.18Å; I173-I240 HydrophobicContact CG2-CB 3.88Å; I173-I240 HydrophobicContact CG2-CD1 3.89Å; I173-I240 HydrophobicContact CG2-CG1 4.46Å; I173-I240 HydrophobicContact CG2-CG2 4.1Å; I173-S241 CarbonylContact C-O 3.51Å; I173-S241 WeakPolarHBondContact CA-O 3.3Å; I173-V242 HydrophobicContact CG1-CG1 4.2Å; I173-V242 HydrophobicContact CG1-CG2 4.1Å; I173-V242 HydrophobicContact CG2-CG2 4.22Å
174	S	92.2	Very high	79.3	Confident	15 Å²	15	73 Å²	73	11%	0.105	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	167.6	-176.3	51.5	0	0	0	0	110.5	S241	S174-S241 PolarHBondContact N-O 3.19Å; S174-S241 PolarHBondContact O-N 3.4Å; S174-S241 VanDerWaalsContact OG-CB 3.3Å; S174-S241 WeakPolarHBondContact OG-CB 3.37Å; S174-S241 PolarHBondContact OG-O 3.35Å; S174-S241 PolarHBondContact OG-OG 2.93Å
175	H	90	Very high	82.2	Confident	116 Å²	116	62.7 Å²	62.7	54%	0.537	30%	0.302	S	S	.	.	S	Bend	trans	60.4	52.2	-168.7	-44.9	156	0	0	0	111.8	T238	H175-T238 VanDerWaalsContact O-CG2 3.27Å; H175-T238 WeakPolarHBondContact O-CG2 3.18Å
176	L	91.6	Very high	84.9	Confident	6 Å²	6	60.5 Å²	60.5	3%	0.031	29%	0.287	C	S	.	.			trans	-82.5	142	179.7	-67.6	175.3	0	0	0	111.6	I173 L178 L185 L189 R211 C213 F235 I240	I173-L176 HydrophobicContact CG2-CD2 3.68Å; I173-L176 HydrophobicContact CG2-CG 4.46Å; L176-L178 PolarHBondContact O-N 3.16Å; L176-L178 VanDerWaalsContact O-N 3.16Å; L176-L185 HydrophobicContact CB-CD1 4.15Å; L176-L185 HydrophobicContact CB-CD2 4.32Å; L176-L185 HydrophobicContact CD1-CD1 4.47Å; L176-L185 HydrophobicContact CD2-CD2 4.46Å; L176-L189 HydrophobicContact CD1-CD1 4.41Å; L176-L189 HydrophobicContact CD2-CD1 3.97Å; L176-R211 HydrophobicContact CB-CG 4.42Å; L176-R211 HydrophobicContact CD1-CG 4.23Å; L176-C213 HydrophobicContact CD1-CB 3.65Å; L176-F235 HydrophobicContact CD2-CD1 4.48Å; L176-I240 HydrophobicContact CD2-CG2 3.96Å
177	P	88.6	Confident	87.2	Confident	9 Å²	9	61.1 Å²	61.1	6%	0.058	29%	0.286	C	S	.	.			trans	-57.1	118.6	-176.2	-7	1.9	0	0	0	113.7	R179 S180 L185 F236 T238	P177-R179 PolarHBondContact O-N 2.79Å; P177-S180 PolarHBondContact O-N 2.77Å; P177-S180 VanDerWaalsContact O-N 3.08Å; P177-L185 HydrophobicContact CG-CD2 4.12Å; P177-F236 HydrophobicContact CB-CB 4.44Å; P177-F236 HydrophobicContact CG-CB 3.72Å; P177-F236 HydrophobicContact CG-CD2 4.35Å; P177-T238 WeakPolarHBondContact CB-OG1 3.33Å
178	L	86.7	Confident	89	Confident	78 Å²	78	57.1 Å²	57.1	41%	0.408	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-32.2	-178.3	-56	177.6	0	0	0	113.5	R2 L176 S180 D208 E209	R2-L178 PolarHBondContact NH2-O 3.39Å; L176-L178 PolarHBondContact O-N 3.16Å; L176-L178 VanDerWaalsContact O-N 3.16Å; L178-S180 VanDerWaalsContact C-N 3.33Å; L178-D208 HydrophobicContact CD2-CB 4.24Å; L178-D208 WeakPolarHBondContact CD2-O 3.37Å; L178-E209 HydrophobicContact CD1-CG 4.33Å; L178-E209 HydrophobicContact CD2-CG 4.07Å
179	R	85.7	Confident	90.2	Very high	252 Å²	252	55 Å²	55	95%	0.951	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-20.5	180	-166.9	175.3	-179.8	113	-0.8	113	P177	P177-R179 PolarHBondContact O-N 2.79Å
180	S	89	Confident	90.8	Very high	17 Å²	17	54.7 Å²	54.7	12%	0.119	26%	0.264	C	S	.	.	S	Bend	trans	-82.7	141.2	-179.8	-67.6	0	0	0	0	111.7	P177 L178 R211	P177-S180 PolarHBondContact O-N 2.77Å; P177-S180 VanDerWaalsContact O-N 3.08Å; L178-S180 VanDerWaalsContact C-N 3.33Å; S180-R211 PolarHBondContact O-NH1 3.03Å
181	S	89.6	Confident	91	Very high	50 Å²	50	62 Å²	62	35%	0.35	30%	0.298	S	S	.	.			trans	-69.3	157.2	172.5	85.5	0	0	0	0	111	T183 N184 L185	S181-T183 PolarHBondContact O-N 3.16Å; S181-T183 PolarHBondContact OG-N 3Å; S181-N184 PolarHBondContact O-N 3.3Å; S181-N184 VanDerWaalsContact OG-CG 3.24Å; S181-N184 PolarHBondContact OG-N 3Å; S181-N184 PolarHBondContact OG-OD1 2.84Å; S181-L185 WeakPolarHBondContact O-CG 3.14Å; S181-L185 PolarHBondContact O-N 2.97Å
182	D	89.8	Confident	90.9	Very high	44 Å²	44	64.3 Å²	64.3	24%	0.235	31%	0.308	C	S	.	.	H	α-helix	trans	-52.5	-38	170.9	-92.5	60.4	0	0	0	113.1	R186 V204 R211	D182-R186 WeakPolarHBondContact O-CB 3.21Å; D182-R186 VanDerWaalsContact O-CD 3.31Å; D182-R186 WeakPolarHBondContact O-CD 3.46Å; D182-R186 WeakPolarHBondContact O-CG 3.45Å; D182-R186 PolarHBondContact O-N 2.67Å; D182-R186 PolarHBondContact O-NE 3.19Å; D182-R186 IonicContact OD2-CZ 3.22Å; D182-R186 IonicContact OD2-NE 2.83Å; D182-R186 IonicContact OD2-NH2 2.97Å; D182-R186 PolarHBondContact OD2-NH2 3.3Å; D182-V204 VanDerWaalsContact OD2-CG1 3.32Å; D182-V204 WeakPolarHBondContact OD2-CG1 3.28Å; D182-R211 IonicContact OD1-CZ 2.58Å; D182-R211 VanDerWaalsContact OD1-CZ 3.22Å; D182-R211 IonicContact OD1-NE 2.67Å; D182-R211 IonicContact OD1-NH1 2.89Å; D182-R211 IonicContact OD1-NH2 3.3Å; D182-R211 PolarHBondContact OD1-NH2 3.06Å
183	T	88.3	Confident	91	Very high	75 Å²	75	61 Å²	61	46%	0.46	29%	0.294	S	S	.	.	H	α-helix	trans	-66.2	-51.9	177.9	-50.6	0	0	0	0	110.6	S181 L185 R186 E187	S181-T183 PolarHBondContact O-N 3.16Å; S181-T183 PolarHBondContact OG-N 3Å; T183-L185 VanDerWaalsContact C-N 3.25Å; T183-L185 PolarHBondContact O-N 3.04Å; T183-R186 PolarHBondContact O-N 2.99Å; T183-R186 VanDerWaalsContact O-N 3.11Å; T183-E187 HydrophobicContact CG2-CG 4.43Å; T183-E187 VanDerWaalsContact CG2-OE1 3.31Å; T183-E187 WeakPolarHBondContact CG2-OE1 3.11Å; T183-E187 WeakPolarHBondContact O-CB 3.5Å; T183-E187 WeakPolarHBondContact O-CG 3.45Å; T183-E187 PolarHBondContact O-N 3.43Å
184	N	90.8	Very high	91	Very high	83 Å²	83	67.1 Å²	67.1	44%	0.444	32%	0.32	S	S	.	.	H	α-helix	trans	-60.3	-37.1	179.5	-62.2	30	0	0	0	111.4	S181 G188	S181-N184 PolarHBondContact O-N 3.3Å; S181-N184 VanDerWaalsContact OG-CG 3.24Å; S181-N184 PolarHBondContact OG-N 3Å; S181-N184 PolarHBondContact OG-OD1 2.84Å; N184-G188 PolarHBondContact O-N 2.96Å
185	L	92.3	Very high	91	Very high	0 Å²	0	73 Å²	73	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-67.4	-47	174.8	-68.6	174.1	0	0	0	111.4	L176 P177 S181 T183 L189 V204 F235 F236	L176-L185 HydrophobicContact CB-CD1 4.15Å; L176-L185 HydrophobicContact CB-CD2 4.32Å; L176-L185 HydrophobicContact CD1-CD1 4.47Å; L176-L185 HydrophobicContact CD2-CD2 4.46Å; P177-L185 HydrophobicContact CG-CD2 4.12Å; S181-L185 WeakPolarHBondContact O-CG 3.14Å; S181-L185 PolarHBondContact O-N 2.97Å; T183-L185 VanDerWaalsContact C-N 3.25Å; T183-L185 PolarHBondContact O-N 3.04Å; L185-L189 WeakPolarHBondContact O-CB 3.19Å; L185-L189 WeakPolarHBondContact O-CD1 3.25Å; L185-L189 WeakPolarHBondContact O-CG 3.34Å; L185-L189 PolarHBondContact O-N 3.25Å; L185-V204 HydrophobicContact CB-CG2 4.13Å; L185-F235 HydrophobicContact CD2-CE1 3.83Å; L185-F236 HydrophobicContact CD2-CD2 4.38Å
186	R	91.6	Very high	91.1	Very high	104 Å²	104	69 Å²	69	39%	0.392	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-47	177.6	-69.5	162	-154.2	-165.1	5.2	111.8	D182 T183 F190 V202 V204	D182-R186 WeakPolarHBondContact O-CB 3.21Å; D182-R186 VanDerWaalsContact O-CD 3.31Å; D182-R186 WeakPolarHBondContact O-CD 3.46Å; D182-R186 WeakPolarHBondContact O-CG 3.45Å; D182-R186 PolarHBondContact O-N 2.67Å; D182-R186 PolarHBondContact O-NE 3.19Å; D182-R186 IonicContact OD2-CZ 3.22Å; D182-R186 IonicContact OD2-NE 2.83Å; D182-R186 IonicContact OD2-NH2 2.97Å; D182-R186 PolarHBondContact OD2-NH2 3.3Å; T183-R186 PolarHBondContact O-N 2.99Å; T183-R186 VanDerWaalsContact O-N 3.11Å; R186-F190 WeakPolarHBondContact O-CB 3.46Å; R186-F190 PolarHBondContact O-N 2.58Å; R186-V202 HydrophobicContact CB-CG1 4.31Å; R186-V202 HydrophobicContact CG-CG1 4.41Å; R186-V204 HydrophobicContact CG-CB 4.3Å; R186-V204 HydrophobicContact CG-CG2 3.64Å
187	E	91.7	Very high	91	Very high	124 Å²	124	69.6 Å²	69.6	58%	0.579	33%	0.333	S	S	*	.	H	α-helix	trans	-70	-47.4	-177.8	-70.7	176.3	-175.8	0	0	112.2	T183 F190 H191	T183-E187 HydrophobicContact CG2-CG 4.43Å; T183-E187 VanDerWaalsContact CG2-OE1 3.31Å; T183-E187 WeakPolarHBondContact CG2-OE1 3.11Å; T183-E187 WeakPolarHBondContact O-CB 3.5Å; T183-E187 WeakPolarHBondContact O-CG 3.45Å; T183-E187 PolarHBondContact O-N 3.43Å; E187-F190 PolarHBondContact O-N 2.89Å; E187-H191 WeakPolarHBondContact O-CB 3.41Å; E187-H191 PolarHBondContact O-N 3.21Å
188	G	93.1	Very high	91.1	Very high	17 Å²	17	76.4 Å²	76.4	18%	0.175	36%	0.362	C	S	.	.	H	α-helix	trans	-62.9	-43.6	177.7	0	0	0	0	0	112.2	N184 H191 E192	N184-G188 PolarHBondContact O-N 2.96Å; G188-H191 PolarHBondContact O-N 2.94Å; G188-E192 WeakPolarHBondContact O-CB 3.39Å; G188-E192 PolarHBondContact O-N 3.45Å
189	L	93.9	Very high	91.3	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-68.2	-39.1	176.4	-68.9	173.2	0	0	0	111.5	I173 L176 L185 H191 E192 Y193 C213 I215 F235	I173-L189 HydrophobicContact CD1-CD1 4.37Å; I173-L189 HydrophobicContact CD1-CD2 3.85Å; L176-L189 HydrophobicContact CD1-CD1 4.41Å; L176-L189 HydrophobicContact CD2-CD1 3.97Å; L185-L189 WeakPolarHBondContact O-CB 3.19Å; L185-L189 WeakPolarHBondContact O-CD1 3.25Å; L185-L189 WeakPolarHBondContact O-CG 3.34Å; L185-L189 PolarHBondContact O-N 3.25Å; L189-H191 VanDerWaalsContact C-N 3.35Å; L189-H191 PolarHBondContact O-N 2.93Å; L189-E192 PolarHBondContact O-N 3.43Å; L189-Y193 HydrophobicContact CD2-CD2 4.27Å; L189-Y193 HydrophobicContact CD2-CE2 3.9Å; L189-Y193 WeakPolarHBondContact O-CB 3.39Å; L189-Y193 WeakPolarHBondContact O-CD2 3.5Å; L189-Y193 PolarHBondContact O-N 2.98Å; L189-C213 HydrophobicContact CD1-CB 3.46Å; L189-C213 VanDerWaalsContact CD1-CB 3.46Å; L189-C213 VanDerWaalsContact CD1-SG 3.56Å; L189-I215 HydrophobicContact CB-CD1 4.14Å; L189-F235 HydrophobicContact CB-CZ 4.36Å; L189-F235 HydrophobicContact CD1-CE1 4.37Å; L189-F235 HydrophobicContact CD2-CD1 3.76Å; L189-F235 HydrophobicContact CD2-CD2 4.1Å; L189-F235 HydrophobicContact CD2-CE1 3.49Å; L189-F235 VanDerWaalsContact CD2-CE1 3.49Å; L189-F235 HydrophobicContact CD2-CE2 3.88Å; L189-F235 HydrophobicContact CD2-CG 4.05Å; L189-F235 HydrophobicContact CD2-CZ 3.57Å; L189-F235 HydrophobicContact CG-CD1 4.33Å; L189-F235 HydrophobicContact CG-CE1 3.58Å; L189-F235 HydrophobicContact CG-CE2 4.26Å; L189-F235 HydrophobicContact CG-CZ 3.55Å
190	F	93.8	Very high	91.4	Very high	88 Å²	88	64.5 Å²	64.5	39%	0.386	32%	0.32	S	S	.	.	H	α-helix	trans	-58.6	-47	172.6	178	-103.2	0	0	0	111.3	R186 E187 K194 I199 V202	R186-F190 WeakPolarHBondContact O-CB 3.46Å; R186-F190 PolarHBondContact O-N 2.58Å; E187-F190 PolarHBondContact O-N 2.89Å; F190-K194 HydrophobicContact CE1-CD 3.91Å; F190-K194 HydrophobicContact CZ-CD 4.05Å; F190-K194 WeakPolarHBondContact O-CB 3.49Å; F190-K194 PolarHBondContact O-N 2.97Å; F190-I199 HydrophobicContact CD2-CB 4.15Å; F190-I199 HydrophobicContact CD2-CD1 3.85Å; F190-I199 HydrophobicContact CD2-CG2 4.02Å; F190-I199 HydrophobicContact CE2-CB 4Å; F190-I199 HydrophobicContact CE2-CD1 4.37Å; F190-I199 HydrophobicContact CE2-CG2 4.17Å; F190-V202 HydrophobicContact CB-CG2 4.16Å; F190-V202 HydrophobicContact CD2-CG2 4.02Å
191	H	93.4	Very high	91.2	Very high	154 Å²	154	64.6 Å²	64.6	71%	0.713	32%	0.321	S	S	*	.	H	α-helix	trans	-62.9	-46.9	178.5	-159.7	113.9	0	0	0	111.8	E187 G188 L189 Y193	E187-H191 WeakPolarHBondContact O-CB 3.41Å; E187-H191 PolarHBondContact O-N 3.21Å; G188-H191 PolarHBondContact O-N 2.94Å; L189-H191 VanDerWaalsContact C-N 3.35Å; L189-H191 PolarHBondContact O-N 2.93Å; H191-Y193 PolarHBondContact O-N 3.03Å
192	E	91.9	Very high	91.3	Very high	49 Å²	49	63.6 Å²	63.6	23%	0.229	31%	0.312	C	S	.	.	H	α-helix	trans	-63.9	-36.5	-177.7	-177.6	53.8	-117.8	0	0	113	G188 L189 K195 K233 F235	G188-E192 WeakPolarHBondContact O-CB 3.39Å; G188-E192 PolarHBondContact O-N 3.45Å; L189-E192 PolarHBondContact O-N 3.43Å; E192-K195 WeakPolarHBondContact O-CD 3.5Å; E192-K195 WeakPolarHBondContact O-CE 3.35Å; E192-K195 WeakPolarHBondContact O-CG 3.49Å; E192-K195 VanDerWaalsContact OE1-CE 3.26Å; E192-K195 WeakPolarHBondContact OE1-CE 3.37Å; E192-K195 IonicContact OE1-NZ 2.72Å; E192-K195 PolarHBondContact OE1-NZ 3.45Å; E192-K233 VanDerWaalsContact CD-NZ 3.32Å; E192-K233 WeakPolarHBondContact OE1-CE 3.47Å; E192-K233 IonicContact OE1-NZ 2.72Å; E192-K233 PolarHBondContact OE1-NZ 3.16Å; E192-F235 HydrophobicContact CB-CE2 4.34Å; E192-F235 HydrophobicContact CG-CD2 4.48Å
193	Y	93.7	Very high	91.2	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-97.8	-21.5	-175.2	-76.2	-78.2	0	0	0	114.8	L171 I173 L189 H191 K195 H196 I215 F217 A226 S230 I240	L171-Y193 HydrophobicContact CD1-CD1 3.86Å; L171-Y193 HydrophobicContact CD1-CE1 3.7Å; I173-Y193 HydrophobicContact CD1-CD2 4Å; I173-Y193 HydrophobicContact CD1-CE2 3.39Å; L189-Y193 HydrophobicContact CD2-CD2 4.27Å; L189-Y193 HydrophobicContact CD2-CE2 3.9Å; L189-Y193 WeakPolarHBondContact O-CB 3.39Å; L189-Y193 WeakPolarHBondContact O-CD2 3.5Å; L189-Y193 PolarHBondContact O-N 2.98Å; H191-Y193 PolarHBondContact O-N 3.03Å; Y193-K195 PolarHBondContact O-N 3.41Å; Y193-H196 PolarHBondContact O-N 3.49Å; Y193-I215 HydrophobicContact CD2-CD1 3.38Å; Y193-I215 HydrophobicContact CE2-CD1 4.11Å; Y193-I215 HydrophobicContact CG-CD1 3.64Å; Y193-F217 HydrophobicContact CD1-CZ 4.43Å; Y193-A226 HydrophobicContact CD1-CB 3.97Å; Y193-A226 HydrophobicContact CE1-CB 4.38Å; Y193-S230 WeakPolarHBondContact OH-CB 3.37Å; Y193-I240 HydrophobicContact CE2-CD1 4.48Å; Y193-I240 WeakPolarHBondContact OH-CD1 3.23Å
194	K	93.5	Very high	91.3	Very high	128 Å²	128	62.5 Å²	62.5	56%	0.557	30%	0.3	S	S	*	.	H	α-helix	trans	-56.8	-23.7	176.6	172.9	-178.1	175.1	-171.1	0	113.5	F190 H196 G197 I199	F190-K194 HydrophobicContact CE1-CD 3.91Å; F190-K194 HydrophobicContact CZ-CD 4.05Å; F190-K194 WeakPolarHBondContact O-CB 3.49Å; F190-K194 PolarHBondContact O-N 2.97Å; K194-H196 PolarHBondContact O-N 3.11Å; K194-G197 PolarHBondContact O-N 3.22Å; K194-G197 VanDerWaalsContact O-O 3.09Å; K194-I199 HydrophobicContact CB-CD1 4.23Å
195	K	92.5	Very high	91	Very high	139 Å²	139	66.1 Å²	66.1	60%	0.604	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.2	176.2	74.1	-164.5	-171.1	-173.5	0	114.4	E192 Y193	E192-K195 WeakPolarHBondContact O-CD 3.5Å; E192-K195 WeakPolarHBondContact O-CE 3.35Å; E192-K195 WeakPolarHBondContact O-CG 3.49Å; E192-K195 VanDerWaalsContact OE1-CE 3.26Å; E192-K195 WeakPolarHBondContact OE1-CE 3.37Å; E192-K195 IonicContact OE1-NZ 2.72Å; E192-K195 PolarHBondContact OE1-NZ 3.45Å; Y193-K195 PolarHBondContact O-N 3.41Å
196	H	91.9	Very high	90.5	Very high	32 Å²	32	68 Å²	68	15%	0.148	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-17.3	178.8	-60.1	-65.7	0	0	0	113.4	Y193 K194 F217 D222 A226 S229	Y193-H196 PolarHBondContact O-N 3.49Å; K194-H196 PolarHBondContact O-N 3.11Å; H196-F217 HydrophobicContact CB-CE1 4.26Å; H196-D222 WeakPolarHBondContact O-CB 3.5Å; H196-A226 HydrophobicContact CB-CB 3.74Å; H196-S229 WeakPolarHBondContact CE1-CB 3.44Å; H196-S229 PolarHBondContact CE1-OG 3Å
197	G	89.3	Confident	89.8	Confident	18 Å²	18	68.5 Å²	68.5	19%	0.186	33%	0.333	C	S	.	.	S	Bend	trans	162.5	-176.7	177.3	0	0	0	0	0	113.8	K194 I199 D222	K194-G197 PolarHBondContact O-N 3.22Å; K194-G197 VanDerWaalsContact O-O 3.09Å; G197-I199 PolarHBondContact O-N 3.45Å; G197-I199 VanDerWaalsContact O-N 3.11Å; G197-D222 WeakPolarHBondContact CA-OD2 3.39Å
198	K	90.5	Very high	89.3	Confident	152 Å²	152	65.4 Å²	65.4	66%	0.661	32%	0.321	S	S	*	.			trans	-75	105.8	-178.6	-177.1	167.2	-178.5	169.9	0	110.6	F217 K218	K198-F217 CarbonylContact O-C 3.56Å; K198-F217 WeakPolarHBondContact O-CA 3.5Å; K198-K218 HydrophobicContact CB-CB 4.3Å; K198-K218 PolarHBondContact O-N 2.81Å
199	I	90.6	Very high	88.8	Confident	17 Å²	17	72.2 Å²	72.2	9%	0.087	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	137.1	168.1	-63.5	174.1	0	0	0	109.9	F190 K194 G197 S201 V202 I215 T216 F217	F190-I199 HydrophobicContact CD2-CB 4.15Å; F190-I199 HydrophobicContact CD2-CD1 3.85Å; F190-I199 HydrophobicContact CD2-CG2 4.02Å; F190-I199 HydrophobicContact CE2-CB 4Å; F190-I199 HydrophobicContact CE2-CD1 4.37Å; F190-I199 HydrophobicContact CE2-CG2 4.17Å; K194-I199 HydrophobicContact CB-CD1 4.23Å; G197-I199 PolarHBondContact O-N 3.45Å; G197-I199 VanDerWaalsContact O-N 3.11Å; I199-S201 WeakPolarHBondContact CG2-O 3.46Å; I199-V202 HydrophobicContact CG2-CG2 3.67Å; I199-I215 HydrophobicContact CD1-CG2 3.9Å; I199-I215 HydrophobicContact CG1-CG2 3.92Å; I199-I215 HydrophobicContact CG2-CG2 3.97Å; I199-T216 CarbonylContact C-O 3.5Å; I199-T216 WeakPolarHBondContact CA-O 3.41Å; I199-F217 HydrophobicContact CG1-CD1 4.11Å; I199-F217 HydrophobicContact CG1-CE1 3.84Å; I199-F217 HydrophobicContact CG1-CZ 4.27Å
200	T	87.9	Confident	88.3	Confident	64 Å²	64	78.9 Å²	78.9	39%	0.393	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-37.5	176.6	-47.7	0	0	0	0	111.5	T216 F217 K218 S250	T200-T216 PolarHBondContact N-O 2.98Å; T200-F217 VanDerWaalsContact OG1-C 3.29Å; T200-F217 PolarHBondContact OG1-O 2.77Å; T200-K218 PolarHBondContact OG1-N 3.16Å; T200-S250 WeakPolarHBondContact CG2-OG 3.36Å
201	S	85.9	Confident	88	Confident	19 Å²	19	75 Å²	75	13%	0.133	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	152.1	178.4	65.2	0	0	0	0	112.8	I199 I215 T216	I199-S201 WeakPolarHBondContact CG2-O 3.46Å; S201-I215 WeakPolarHBondContact O-CA 3.32Å; S201-T216 PolarHBondContact N-O 2.99Å; S201-T216 PolarHBondContact O-N 2.77Å; S201-T216 VanDerWaalsContact OG-CB 3.27Å; S201-T216 WeakPolarHBondContact OG-CB 3.32Å; S201-T216 PolarHBondContact OG-OG1 2.79Å
202	V	91.3	Very high	87.9	Confident	29 Å²	29	69.6 Å²	69.6	18%	0.176	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	118.9	170.7	-176.9	0	0	0	0	108.4	R186 F190 I199 C213 I214 I215	R186-V202 HydrophobicContact CB-CG1 4.31Å; R186-V202 HydrophobicContact CG-CG1 4.41Å; F190-V202 HydrophobicContact CB-CG2 4.16Å; F190-V202 HydrophobicContact CD2-CG2 4.02Å; I199-V202 HydrophobicContact CG2-CG2 3.67Å; V202-C213 VanDerWaalsContact CG1-SG 3.51Å; V202-I214 WeakPolarHBondContact CA-O 3.39Å; V202-I215 HydrophobicContact CG1-CG1 4.41Å; V202-I215 HydrophobicContact CG2-CG1 4.44Å; V202-I215 HydrophobicContact CG2-CG2 4.43Å
203	F	87.4	Confident	87.9	Confident	89 Å²	89	67.3 Å²	67.3	39%	0.39	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	116.4	-179.2	-72.8	-74.5	0	0	0	111.4	C213 I214 L248	F203-C213 CarbonylContact O-C 3.59Å; F203-C213 VanDerWaalsContact O-CA 3.32Å; F203-C213 WeakPolarHBondContact O-CA 3.36Å; F203-I214 PolarHBondContact N-O 3.13Å; F203-I214 PolarHBondContact O-N 3.2Å; F203-L248 HydrophobicContact CD2-CD1 3.62Å; F203-L248 HydrophobicContact CE2-CD1 3.75Å
204	V	90	Very high	87.8	Confident	6 Å²	6	68.4 Å²	68.4	4%	0.036	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	137.6	165.6	176.1	0	0	0	0	109.3	D182 L185 R186 R211 I212 C213	D182-V204 VanDerWaalsContact OD2-CG1 3.32Å; D182-V204 WeakPolarHBondContact OD2-CG1 3.28Å; L185-V204 HydrophobicContact CB-CG2 4.13Å; R186-V204 HydrophobicContact CG-CB 4.3Å; R186-V204 HydrophobicContact CG-CG2 3.64Å; V204-R211 HydrophobicContact CG1-CG 3.73Å; V204-I212 CarbonylContact C-O 3.56Å; V204-I212 WeakPolarHBondContact CA-O 3.12Å; V204-C213 HydrophobicContact CG2-CB 4Å
205	R	83.9	Confident	87.8	Confident	159 Å²	159	62.3 Å²	62.3	60%	0.6	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	157.3	178.3	-64.2	-62.2	-169.9	-178.3	5.1	109.2	R211 I212	R205-R211 CarbonylContact O-C 3.45Å; R205-R211 VanDerWaalsContact O-CA 3.3Å; R205-R211 WeakPolarHBondContact O-CA 3.12Å; R205-I212 HydrophobicContact CB-CG1 4.1Å; R205-I212 PolarHBondContact N-O 3.19Å; R205-I212 PolarHBondContact O-N 2.95Å; R205-I212 VanDerWaalsContact O-O 3.09Å
206	G	82.3	Confident	87.7	Confident	40 Å²	40	55.9 Å²	55.9	41%	0.412	28%	0.279	S	S	.	.	S	Bend	trans	78.8	161.9	-176.8	0	0	0	0	0	113.8
207	Q	77.8	Confident	87.6	Confident	115 Å²	115	54.6 Å²	54.6	54%	0.537	27%	0.273	S	S	.	.	S	Bend	trans	-115	162.1	173.1	-80.2	168.9	-46.8	0	0	109.7	E76 E209 E210 R211	E76-Q207 PolarHBondContact OE2-NE2 2.76Å; Q207-E209 PolarHBondContact O-N 3.23Å; Q207-E210 PolarHBondContact O-N 3.07Å; Q207-R211 PolarHBondContact O-N 3Å
208	D	81.2	Confident	87.6	Confident	59 Å²	59	60.5 Å²	60.5	32%	0.316	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	37.8	-119.7	-177.6	-64.9	-3.5	0	0	0	113.2	M1 L178 R211	M1-D208 PolarHBondContact N-OD2 2.7Å; L178-D208 HydrophobicContact CD2-CB 4.24Å; L178-D208 WeakPolarHBondContact CD2-O 3.37Å; D208-R211 WeakPolarHBondContact O-CB 3.1Å; D208-R211 PolarHBondContact O-N 3.18Å
209	E	82.2	Confident	87.4	Confident	160 Å²	160	57.5 Å²	57.5	75%	0.748	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-77.5	-25.4	-172.8	-64.1	-176.3	171	0	0	114.5	L178 Q207 R211	L178-E209 HydrophobicContact CD1-CG 4.33Å; L178-E209 HydrophobicContact CD2-CG 4.07Å; Q207-E209 PolarHBondContact O-N 3.23Å; E209-R211 PolarHBondContact O-N 2.9Å; E209-R211 VanDerWaalsContact O-N 3.15Å
210	E	82.6	Confident	87.3	Confident	140 Å²	140	57.5 Å²	57.5	65%	0.654	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-71.3	-2	172.6	-61.7	-174.7	168.9	0	0	112.6	Q207 I212	Q207-E210 PolarHBondContact O-N 3.07Å; E210-I212 PolarHBondContact O-N 2.76Å; E210-I212 VanDerWaalsContact O-N 3.15Å
211	R	87.9	Confident	87.4	Confident	5 Å²	5	58.7 Å²	58.7	2%	0.019	28%	0.283	C	S	.	.			trans	-67	112.8	-177	-174.4	-177.9	-77.7	-166	-18.5	112	L176 S180 D182 V204 R205 Q207 D208 E209	L176-R211 HydrophobicContact CB-CG 4.42Å; L176-R211 HydrophobicContact CD1-CG 4.23Å; S180-R211 PolarHBondContact O-NH1 3.03Å; D182-R211 IonicContact OD1-CZ 2.58Å; D182-R211 VanDerWaalsContact OD1-CZ 3.22Å; D182-R211 IonicContact OD1-NE 2.67Å; D182-R211 IonicContact OD1-NH1 2.89Å; D182-R211 IonicContact OD1-NH2 3.3Å; D182-R211 PolarHBondContact OD1-NH2 3.06Å; V204-R211 HydrophobicContact CG1-CG 3.73Å; R205-R211 CarbonylContact O-C 3.45Å; R205-R211 VanDerWaalsContact O-CA 3.3Å; R205-R211 WeakPolarHBondContact O-CA 3.12Å; Q207-R211 PolarHBondContact O-N 3Å; D208-R211 WeakPolarHBondContact O-CB 3.1Å; D208-R211 PolarHBondContact O-N 3.18Å; E209-R211 PolarHBondContact O-N 2.9Å; E209-R211 VanDerWaalsContact O-N 3.15Å
212	I	91.9	Very high	87.8	Confident	42 Å²	42	58.7 Å²	58.7	22%	0.215	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	156	174.9	62.5	173.5	0	0	0	111.5	I173 V204 R205 E210	I173-I212 CarbonylContact O-C 3.38Å; I173-I212 WeakPolarHBondContact O-CA 3.4Å; I173-I212 WeakPolarHBondContact O-CB 3.48Å; V204-I212 CarbonylContact C-O 3.56Å; V204-I212 WeakPolarHBondContact CA-O 3.12Å; R205-I212 HydrophobicContact CB-CG1 4.1Å; R205-I212 PolarHBondContact N-O 3.19Å; R205-I212 PolarHBondContact O-N 2.95Å; R205-I212 VanDerWaalsContact O-O 3.09Å; E210-I212 PolarHBondContact O-N 2.76Å; E210-I212 VanDerWaalsContact O-N 3.15Å
213	C	91.4	Very high	87.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130	167.7	-175.4	0	0	0	0	110.2	I173 L176 L189 V202 F203 V204	I173-C213 HydrophobicContact CB-CB 4.38Å; I173-C213 PolarHBondContact N-O 3.39Å; I173-C213 PolarHBondContact O-N 3.24Å; L176-C213 HydrophobicContact CD1-CB 3.65Å; L189-C213 HydrophobicContact CD1-CB 3.46Å; L189-C213 VanDerWaalsContact CD1-CB 3.46Å; L189-C213 VanDerWaalsContact CD1-SG 3.56Å; V202-C213 VanDerWaalsContact CG1-SG 3.51Å; F203-C213 CarbonylContact O-C 3.59Å; F203-C213 VanDerWaalsContact O-CA 3.32Å; F203-C213 WeakPolarHBondContact O-CA 3.36Å; V204-C213 HydrophobicContact CG2-CB 4Å
214	I	91.9	Very high	88	Confident	23 Å²	23	57.9 Å²	57.9	12%	0.118	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.4	173.4	-58.4	171.3	0	0	0	108.2	L171 V202 F203	L171-I214 WeakPolarHBondContact O-CA 3.31Å; V202-I214 WeakPolarHBondContact CA-O 3.39Å; F203-I214 PolarHBondContact N-O 3.13Å; F203-I214 PolarHBondContact O-N 3.2Å
215	I	92.9	Very high	88.1	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.7	171.9	-55.4	-177.9	0	0	0	107.8	G170 L171 I173 L189 Y193 I199 S201 V202 F217	G170-I215 CarbonylContact C-O 3.37Å; G170-I215 WeakPolarHBondContact CA-O 3.13Å; L171-I215 PolarHBondContact N-O 3.1Å; L171-I215 PolarHBondContact O-N 2.74Å; I173-I215 HydrophobicContact CD1-CD1 3.57Å; I173-I215 HydrophobicContact CD1-CG1 4.18Å; L189-I215 HydrophobicContact CB-CD1 4.14Å; Y193-I215 HydrophobicContact CD2-CD1 3.38Å; Y193-I215 HydrophobicContact CE2-CD1 4.11Å; Y193-I215 HydrophobicContact CG-CD1 3.64Å; I199-I215 HydrophobicContact CD1-CG2 3.9Å; I199-I215 HydrophobicContact CG1-CG2 3.92Å; I199-I215 HydrophobicContact CG2-CG2 3.97Å; S201-I215 WeakPolarHBondContact O-CA 3.32Å; V202-I215 HydrophobicContact CG1-CG1 4.41Å; V202-I215 HydrophobicContact CG2-CG1 4.44Å; V202-I215 HydrophobicContact CG2-CG2 4.43Å; I215-F217 HydrophobicContact CG2-CD2 4.31Å; I215-F217 HydrophobicContact CG2-CE2 3.88Å; I215-F217 HydrophobicContact CG2-CZ 4.29Å
216	T	90.1	Very high	88.6	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.4	171.9	-48.1	0	0	0	0	109.5	I199 T200 S201 L248	I199-T216 CarbonylContact C-O 3.5Å; I199-T216 WeakPolarHBondContact CA-O 3.41Å; T200-T216 PolarHBondContact N-O 2.98Å; S201-T216 PolarHBondContact N-O 2.99Å; S201-T216 PolarHBondContact O-N 2.77Å; S201-T216 VanDerWaalsContact OG-CB 3.27Å; S201-T216 WeakPolarHBondContact OG-CB 3.32Å; S201-T216 PolarHBondContact OG-OG1 2.79Å; T216-L248 PolarHBondContact OG1-N 3.43Å
217	F	91.8	Very high	89.2	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	162.5	174	-69.4	-95.7	0	0	0	111.3	R169 L171 Y193 H196 K198 I199 T200 I215 K219 D222 A223 A226	R169-F217 PolarHBondContact O-N 2.75Å; L171-F217 HydrophobicContact CD1-CE2 3.99Å; L171-F217 HydrophobicContact CG-CE2 4.15Å; Y193-F217 HydrophobicContact CD1-CZ 4.43Å; H196-F217 HydrophobicContact CB-CE1 4.26Å; K198-F217 CarbonylContact O-C 3.56Å; K198-F217 WeakPolarHBondContact O-CA 3.5Å; I199-F217 HydrophobicContact CG1-CD1 4.11Å; I199-F217 HydrophobicContact CG1-CE1 3.84Å; I199-F217 HydrophobicContact CG1-CZ 4.27Å; T200-F217 VanDerWaalsContact OG1-C 3.29Å; T200-F217 PolarHBondContact OG1-O 2.77Å; I215-F217 HydrophobicContact CG2-CD2 4.31Å; I215-F217 HydrophobicContact CG2-CE2 3.88Å; I215-F217 HydrophobicContact CG2-CZ 4.29Å; F217-K219 VanDerWaalsContact C-N 3.32Å; F217-K219 WeakPolarHBondContact CB-O 3.48Å; F217-D222 HydrophobicContact CB-CB 4.24Å; F217-D222 HydrophobicContact CD1-CB 3.84Å; F217-D222 HydrophobicContact CG-CB 4.24Å; F217-A223 HydrophobicContact CB-CB 4.29Å; F217-A223 HydrophobicContact CD2-CB 3.66Å; F217-A223 HydrophobicContact CE2-CB 4.32Å; F217-A223 HydrophobicContact CG-CB 4.21Å; F217-A226 HydrophobicContact CE1-CB 4.34Å; F217-A226 HydrophobicContact CE2-CB 3.81Å; F217-A226 HydrophobicContact CZ-CB 3.49Å; F217-A226 VanDerWaalsContact CZ-CB 3.49Å
218	K	87.5	Confident	89.8	Confident	143 Å²	143	53.5 Å²	53.5	62%	0.622	26%	0.259	S	S	*	.	S	Bend	trans	-74.2	-24	172.7	-174.7	174.5	177.8	-173.2	0	112.5	K198 T200	K198-K218 HydrophobicContact CB-CB 4.3Å; K198-K218 PolarHBondContact O-N 2.81Å; T200-K218 PolarHBondContact OG1-N 3.16Å
219	K	86.7	Confident	90.3	Very high	88 Å²	88	53.6 Å²	53.6	38%	0.383	26%	0.264	S	S	.	.			trans	-122	143.3	178.8	-72.6	179.4	155.8	-129.5	0	110.7	F217 E221 D222 A223	F217-K219 VanDerWaalsContact C-N 3.32Å; F217-K219 WeakPolarHBondContact CB-O 3.48Å; K219-E221 HydrophobicContact CB-CB 4.34Å; K219-E221 IonicContact NZ-OE1 2.6Å; K219-E221 PolarHBondContact NZ-OE1 2.85Å; K219-E221 IonicContact NZ-OE2 2.68Å; K219-E221 PolarHBondContact NZ-OE2 3.33Å; K219-D222 HydrophobicContact CB-CB 4.06Å; K219-D222 PolarHBondContact O-N 3.3Å; K219-A223 PolarHBondContact O-N 2.87Å
220	S	89.2	Confident	90.7	Very high	17 Å²	17	46.1 Å²	46.1	12%	0.119	23%	0.229	C	C	.	.	H	α-helix	trans	-55.9	-51.4	163.4	39.6	0	0	0	0	111.1	E167 D222 A223 E224	E167-S220 VanDerWaalsContact OE1-CB 3.28Å; E167-S220 WeakPolarHBondContact OE1-CB 3.45Å; E167-S220 PolarHBondContact OE1-OG 2.91Å; S220-D222 PolarHBondContact O-N 2.96Å; S220-A223 WeakPolarHBondContact O-CB 3Å; S220-A223 PolarHBondContact O-N 3.36Å; S220-E224 PolarHBondContact O-N 2.86Å
221	E	90	Very high	90.9	Very high	89 Å²	89	47.4 Å²	47.4	42%	0.416	23%	0.233	S	C	.	.	H	α-helix	trans	-47.2	-40.6	176.2	-56	167.3	-151.7	0	0	113.7	K219 K225	K219-E221 HydrophobicContact CB-CB 4.34Å; K219-E221 IonicContact NZ-OE1 2.6Å; K219-E221 PolarHBondContact NZ-OE1 2.85Å; K219-E221 IonicContact NZ-OE2 2.68Å; K219-E221 PolarHBondContact NZ-OE2 3.33Å; E221-K225 VanDerWaalsContact O-CD 3.31Å; E221-K225 WeakPolarHBondContact O-CD 3.45Å; E221-K225 WeakPolarHBondContact O-CE 3.31Å; E221-K225 WeakPolarHBondContact O-CG 3.48Å; E221-K225 PolarHBondContact O-N 3.21Å; E221-K225 VanDerWaalsContact O-N 3.1Å; E221-K225 IonicContact OE2-NZ 3.97Å; E221-K225 PolarHBondContact OE2-NZ 3.07Å
222	D	93.5	Very high	90.8	Very high	19 Å²	19	50.8 Å²	50.8	10%	0.102	27%	0.27	C	S	.	.	H	α-helix	trans	-77.5	-33.3	-174.4	-67.3	-6.4	0	0	0	111.2	H196 G197 F217 K219 S220 K225 A226	H196-D222 WeakPolarHBondContact O-CB 3.5Å; G197-D222 WeakPolarHBondContact CA-OD2 3.39Å; F217-D222 HydrophobicContact CB-CB 4.24Å; F217-D222 HydrophobicContact CD1-CB 3.84Å; F217-D222 HydrophobicContact CG-CB 4.24Å; K219-D222 HydrophobicContact CB-CB 4.06Å; K219-D222 PolarHBondContact O-N 3.3Å; S220-D222 PolarHBondContact O-N 2.96Å; D222-K225 IonicContact OD1-NZ 3.32Å; D222-K225 PolarHBondContact OD1-NZ 3.49Å; D222-A226 VanDerWaalsContact O-CB 3.23Å; D222-A226 WeakPolarHBondContact O-CB 3.26Å; D222-A226 PolarHBondContact O-N 2.81Å
223	A	92.4	Very high	90.7	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-68.9	-39.1	171.8	0	0	0	0	0	111.8	H168 F217 K219 S220 A226 L227	H168-A223 WeakPolarHBondContact O-CB 3.46Å; F217-A223 HydrophobicContact CB-CB 4.29Å; F217-A223 HydrophobicContact CD2-CB 3.66Å; F217-A223 HydrophobicContact CE2-CB 4.32Å; F217-A223 HydrophobicContact CG-CB 4.21Å; K219-A223 PolarHBondContact O-N 2.87Å; S220-A223 WeakPolarHBondContact O-CB 3Å; S220-A223 PolarHBondContact O-N 3.36Å; A223-A226 CarbonylContact O-C 3.59Å; A223-A226 WeakPolarHBondContact O-CB 3.18Å; A223-A226 PolarHBondContact O-N 3.48Å; A223-L227 WeakPolarHBondContact O-CB 3.31Å; A223-L227 PolarHBondContact O-N 3.11Å
224	E	91.5	Very high	90.7	Very high	99 Å²	99	54.5 Å²	54.5	46%	0.463	29%	0.292	S	S	.	.	H	α-helix	trans	-67.1	-42	175.6	-68.3	-169.3	142.9	0	0	112.8	S220 A226 L227 T228	S220-E224 PolarHBondContact O-N 2.86Å; E224-A226 VanDerWaalsContact C-N 3.26Å; E224-A226 PolarHBondContact O-N 3.22Å; E224-L227 PolarHBondContact O-N 2.84Å; E224-T228 WeakPolarHBondContact O-CB 3.43Å; E224-T228 PolarHBondContact O-N 2.88Å; E224-T228 PolarHBondContact O-OG1 3.43Å
225	K	92.4	Very high	90.6	Very high	94 Å²	94	54.1 Å²	54.1	41%	0.409	29%	0.289	S	S	.	.	H	α-helix	trans	-56.9	-43.8	170.7	-69.4	161.1	-147.5	158	0	110.4	E221 D222 S229	E221-K225 VanDerWaalsContact O-CD 3.31Å; E221-K225 WeakPolarHBondContact O-CD 3.45Å; E221-K225 WeakPolarHBondContact O-CE 3.31Å; E221-K225 WeakPolarHBondContact O-CG 3.48Å; E221-K225 PolarHBondContact O-N 3.21Å; E221-K225 VanDerWaalsContact O-N 3.1Å; E221-K225 IonicContact OE2-NZ 3.97Å; E221-K225 PolarHBondContact OE2-NZ 3.07Å; D222-K225 IonicContact OD1-NZ 3.32Å; D222-K225 PolarHBondContact OD1-NZ 3.49Å; K225-S229 VanDerWaalsContact O-CB 3.25Å; K225-S229 WeakPolarHBondContact O-CB 3.4Å; K225-S229 PolarHBondContact O-N 3.03Å; K225-S229 PolarHBondContact O-OG 2.98Å
226	A	93.9	Very high	90.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-69	-40.8	179.5	0	0	0	0	0	113.3	L171 Y193 H196 F217 D222 A223 E224 S229 S230	L171-A226 HydrophobicContact CD1-CB 3.66Å; Y193-A226 HydrophobicContact CD1-CB 3.97Å; Y193-A226 HydrophobicContact CE1-CB 4.38Å; H196-A226 HydrophobicContact CB-CB 3.74Å; F217-A226 HydrophobicContact CE1-CB 4.34Å; F217-A226 HydrophobicContact CE2-CB 3.81Å; F217-A226 HydrophobicContact CZ-CB 3.49Å; F217-A226 VanDerWaalsContact CZ-CB 3.49Å; D222-A226 VanDerWaalsContact O-CB 3.23Å; D222-A226 WeakPolarHBondContact O-CB 3.26Å; D222-A226 PolarHBondContact O-N 2.81Å; A223-A226 CarbonylContact O-C 3.59Å; A223-A226 WeakPolarHBondContact O-CB 3.18Å; A223-A226 PolarHBondContact O-N 3.48Å; E224-A226 VanDerWaalsContact C-N 3.26Å; E224-A226 PolarHBondContact O-N 3.22Å; A226-S229 CarbonylContact O-C 3.5Å; A226-S229 PolarHBondContact O-N 3.4Å; A226-S230 VanDerWaalsContact O-CB 3.31Å; A226-S230 WeakPolarHBondContact O-CB 3.12Å; A226-S230 PolarHBondContact O-N 2.87Å; A226-S230 PolarHBondContact O-OG 3.33Å
227	L	93.8	Very high	90.3	Very high	38 Å²	38	61.5 Å²	61.5	20%	0.199	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-47.3	173.8	-177.7	62.7	0	0	0	110.8	L171 A223 E224 S229 S230 V242 P244	L171-L227 HydrophobicContact CD2-CB 3.69Å; L171-L227 HydrophobicContact CD2-CD1 4.03Å; L171-L227 HydrophobicContact CD2-CG 4.39Å; A223-L227 WeakPolarHBondContact O-CB 3.31Å; A223-L227 PolarHBondContact O-N 3.11Å; E224-L227 PolarHBondContact O-N 2.84Å; L227-S229 VanDerWaalsContact C-N 3.28Å; L227-S229 PolarHBondContact O-N 2.99Å; L227-S230 WeakPolarHBondContact CA-OG 3.48Å; L227-S230 PolarHBondContact O-N 3.4Å; L227-S230 PolarHBondContact O-OG 3.19Å; L227-S230 VanDerWaalsContact O-OG 3.06Å; L227-V242 HydrophobicContact CD1-CG1 4.01Å; L227-P244 HydrophobicContact CD2-CB 4.01Å; L227-P244 HydrophobicContact CD2-CG 4.23Å
228	T	91.9	Very high	90.2	Very high	97 Å²	97	63.3 Å²	63.3	60%	0.595	35%	0.352	S	S	*	.	H	α-helix	trans	-61.8	-39.5	177.9	-55.4	0	0	0	0	111.1	E224 S230	E224-T228 WeakPolarHBondContact O-CB 3.43Å; E224-T228 PolarHBondContact O-N 2.88Å; E224-T228 PolarHBondContact O-OG1 3.43Å; T228-S230 VanDerWaalsContact C-N 3.26Å; T228-S230 PolarHBondContact O-N 2.88Å
229	S	90.7	Very high	90.4	Very high	61 Å²	61	60.6 Å²	60.6	43%	0.427	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	11.1	178.2	-51.7	0	0	0	0	115	H196 K225 A226 L227	H196-S229 WeakPolarHBondContact CE1-CB 3.44Å; H196-S229 PolarHBondContact CE1-OG 3Å; K225-S229 VanDerWaalsContact O-CB 3.25Å; K225-S229 WeakPolarHBondContact O-CB 3.4Å; K225-S229 PolarHBondContact O-N 3.03Å; K225-S229 PolarHBondContact O-OG 2.98Å; A226-S229 CarbonylContact O-C 3.5Å; A226-S229 PolarHBondContact O-N 3.4Å; L227-S229 VanDerWaalsContact C-N 3.28Å; L227-S229 PolarHBondContact O-N 2.99Å
230	S	89.9	Confident	90.7	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.014	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-1.3	-178.2	54	0	0	0	0	115.9	Y193 A226 L227 T228 G232 K233 V242	Y193-S230 WeakPolarHBondContact OH-CB 3.37Å; A226-S230 VanDerWaalsContact O-CB 3.31Å; A226-S230 WeakPolarHBondContact O-CB 3.12Å; A226-S230 PolarHBondContact O-N 2.87Å; A226-S230 PolarHBondContact O-OG 3.33Å; L227-S230 WeakPolarHBondContact CA-OG 3.48Å; L227-S230 PolarHBondContact O-N 3.4Å; L227-S230 PolarHBondContact O-OG 3.19Å; L227-S230 VanDerWaalsContact O-OG 3.06Å; T228-S230 VanDerWaalsContact C-N 3.26Å; T228-S230 PolarHBondContact O-N 2.88Å; S230-G232 PolarHBondContact O-N 3.02Å; S230-K233 VanDerWaalsContact O-CB 3.23Å; S230-K233 WeakPolarHBondContact O-CB 3.42Å; S230-K233 PolarHBondContact O-N 2.65Å; S230-V242 WeakPolarHBondContact OG-CG1 3.49Å
231	K	88.2	Confident	90.8	Very high	167 Å²	167	57.9 Å²	57.9	73%	0.726	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	123.2	169.1	-64.1	180	179.8	179.4	0	110	K233	K231-K233 VanDerWaalsContact C-N 3.3Å; K231-K233 PolarHBondContact O-N 3.22Å
232	G	85.5	Confident	91	Very high	77 Å²	77	54.8 Å²	54.8	79%	0.794	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	15.1	179.7	0	0	0	0	0	115.5	S230	S230-G232 PolarHBondContact O-N 3.02Å
233	K	90.4	Very high	90.8	Very high	30 Å²	30	58.2 Å²	58.2	13%	0.13	34%	0.343	C	S	.	.			trans	-78.3	137.2	-173.2	-171.4	167.4	-177.9	175	0	112.5	E192 S230 K231 I240	E192-K233 VanDerWaalsContact CD-NZ 3.32Å; E192-K233 WeakPolarHBondContact OE1-CE 3.47Å; E192-K233 IonicContact OE1-NZ 2.72Å; E192-K233 PolarHBondContact OE1-NZ 3.16Å; S230-K233 VanDerWaalsContact O-CB 3.23Å; S230-K233 WeakPolarHBondContact O-CB 3.42Å; S230-K233 PolarHBondContact O-N 2.65Å; K231-K233 VanDerWaalsContact C-N 3.3Å; K231-K233 PolarHBondContact O-N 3.22Å; K233-I240 HydrophobicContact CB-CG1 4.32Å; K233-I240 WeakPolarHBondContact O-CG1 3.26Å; K233-I240 PolarHBondContact O-N 2.85Å
234	V	90.6	Very high	90.7	Very high	90 Å²	90	60.9 Å²	60.9	55%	0.545	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.3	172.4	-178.7	0	0	0	0	109.4	G237 T238	V234-G237 VanDerWaalsContact CG1-C 3.44Å; V234-T238 WeakPolarHBondContact CA-O 3.41Å
235	F	89.9	Confident	90.3	Very high	15 Å²	15	58.8 Å²	58.8	7%	0.066	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	123	-179.5	179.6	-107.2	0	0	0	109.4	L176 L185 L189 E192 G237 T238 I240	L176-F235 HydrophobicContact CD2-CD1 4.48Å; L185-F235 HydrophobicContact CD2-CE1 3.83Å; L189-F235 HydrophobicContact CB-CZ 4.36Å; L189-F235 HydrophobicContact CD1-CE1 4.37Å; L189-F235 HydrophobicContact CD2-CD1 3.76Å; L189-F235 HydrophobicContact CD2-CD2 4.1Å; L189-F235 HydrophobicContact CD2-CE1 3.49Å; L189-F235 VanDerWaalsContact CD2-CE1 3.49Å; L189-F235 HydrophobicContact CD2-CE2 3.88Å; L189-F235 HydrophobicContact CD2-CG 4.05Å; L189-F235 HydrophobicContact CD2-CZ 3.57Å; L189-F235 HydrophobicContact CG-CD1 4.33Å; L189-F235 HydrophobicContact CG-CE1 3.58Å; L189-F235 HydrophobicContact CG-CE2 4.26Å; L189-F235 HydrophobicContact CG-CZ 3.55Å; E192-F235 HydrophobicContact CB-CE2 4.34Å; E192-F235 HydrophobicContact CG-CD2 4.48Å; F235-G237 PolarHBondContact O-N 3.31Å; F235-T238 PolarHBondContact N-O 2.89Å; F235-T238 PolarHBondContact O-N 2.93Å; F235-I240 HydrophobicContact CB-CD1 3.88Å; F235-I240 HydrophobicContact CB-CG1 4.03Å; F235-I240 HydrophobicContact CB-CG2 3.86Å; F235-I240 HydrophobicContact CD1-CG2 4.42Å; F235-I240 HydrophobicContact CG-CD1 4.49Å
236	F	88	Confident	89.5	Confident	90 Å²	90	61 Å²	61	40%	0.395	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.9	49.5	-166.6	-62.7	-63.1	0	0	0	113	P177 L185 T238	P177-F236 HydrophobicContact CB-CB 4.44Å; P177-F236 HydrophobicContact CG-CB 3.72Å; P177-F236 HydrophobicContact CG-CD2 4.35Å; L185-F236 HydrophobicContact CD2-CD2 4.38Å; F236-T238 PolarHBondContact O-N 2.92Å; F236-T238 VanDerWaalsContact O-N 3.14Å
237	G	87.9	Confident	87.7	Confident	69 Å²	69	61.3 Å²	61.3	71%	0.711	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	-6.7	179.1	0	0	0	0	0	116.2	V234 F235	V234-G237 VanDerWaalsContact CG1-C 3.44Å; F235-G237 PolarHBondContact O-N 3.31Å
238	T	89.6	Confident	85.9	Confident	43 Å²	43	63.1 Å²	63.1	26%	0.264	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132	179.6	-48.7	0	0	0	0	110.6	H175 P177 V234 F235 F236 I240	H175-T238 VanDerWaalsContact O-CG2 3.27Å; H175-T238 WeakPolarHBondContact O-CG2 3.18Å; P177-T238 WeakPolarHBondContact CB-OG1 3.33Å; V234-T238 WeakPolarHBondContact CA-O 3.41Å; F235-T238 PolarHBondContact N-O 2.89Å; F235-T238 PolarHBondContact O-N 2.93Å; F236-T238 PolarHBondContact O-N 2.92Å; F236-T238 VanDerWaalsContact O-N 3.14Å; T238-I240 PolarHBondContact O-N 2.95Å
239	P	91.5	Very high	83.5	Confident	85 Å²	85	62.5 Å²	62.5	55%	0.552	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	113.8	174.2	28.7	-33.1	0	0	0	110.4
240	I	93.4	Very high	81.1	Confident	7 Å²	7	63.3 Å²	63.3	4%	0.036	37%	0.374	C	S	.	.			trans	-88.2	132.6	-177.2	50.6	163.6	0	0	0	111.7	I173 L176 Y193 K233 F235 T238 V242	I173-I240 HydrophobicContact CG2-CB 3.88Å; I173-I240 HydrophobicContact CG2-CD1 3.89Å; I173-I240 HydrophobicContact CG2-CG1 4.46Å; I173-I240 HydrophobicContact CG2-CG2 4.1Å; L176-I240 HydrophobicContact CD2-CG2 3.96Å; Y193-I240 HydrophobicContact CE2-CD1 4.48Å; Y193-I240 WeakPolarHBondContact OH-CD1 3.23Å; K233-I240 HydrophobicContact CB-CG1 4.32Å; K233-I240 WeakPolarHBondContact O-CG1 3.26Å; K233-I240 PolarHBondContact O-N 2.85Å; F235-I240 HydrophobicContact CB-CD1 3.88Å; F235-I240 HydrophobicContact CB-CG1 4.03Å; F235-I240 HydrophobicContact CB-CG2 3.86Å; F235-I240 HydrophobicContact CD1-CG2 4.42Å; F235-I240 HydrophobicContact CG-CD1 4.49Å; T238-I240 PolarHBondContact O-N 2.95Å; I240-V242 HydrophobicContact CD1-CG2 3.99Å; I240-V242 HydrophobicContact CG1-CG2 4.27Å
241	S	91.2	Very high	78.7	Confident	41 Å²	41	69.8 Å²	69.8	29%	0.287	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	116.8	173.5	172.4	0	0	0	0	109.4	I173 S174	I173-S241 CarbonylContact C-O 3.51Å; I173-S241 WeakPolarHBondContact CA-O 3.3Å; S174-S241 PolarHBondContact N-O 3.19Å; S174-S241 PolarHBondContact O-N 3.4Å; S174-S241 VanDerWaalsContact OG-CB 3.3Å; S174-S241 WeakPolarHBondContact OG-CB 3.37Å; S174-S241 PolarHBondContact OG-O 3.35Å; S174-S241 PolarHBondContact OG-OG 2.93Å
242	V	93.9	Very high	76.5	Confident	24 Å²	24	66.2 Å²	66.2	15%	0.145	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.3	-175.9	-172.2	0	0	0	0	110.7	L171 K172 I173 L227 S230 I240	L171-V242 HydrophobicContact CB-CG1 4.02Å; L171-V242 HydrophobicContact CD1-CG1 4.09Å; L171-V242 HydrophobicContact CD2-CG1 4.11Å; L171-V242 HydrophobicContact CG-CG1 4.31Å; K172-V242 WeakPolarHBondContact O-CA 3.49Å; I173-V242 HydrophobicContact CG1-CG1 4.2Å; I173-V242 HydrophobicContact CG1-CG2 4.1Å; I173-V242 HydrophobicContact CG2-CG2 4.22Å; L227-V242 HydrophobicContact CD1-CG1 4.01Å; S230-V242 WeakPolarHBondContact OG-CG1 3.49Å; I240-V242 HydrophobicContact CD1-CG2 3.99Å; I240-V242 HydrophobicContact CG1-CG2 4.27Å
243	Q	90.1	Very high	74.5	Confident	91 Å²	91	66.4 Å²	66.4	43%	0.425	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	149.3	178.5	-66.1	175.1	-19.2	0	0	109.7	L171 K172	L171-Q243 WeakPolarHBondContact CA-O 3.44Å; K172-Q243 HydrophobicContact CB-CB 4.41Å; K172-Q243 PolarHBondContact N-O 2.89Å; K172-Q243 PolarHBondContact O-N 3.28Å
244	P	90.1	Very high	72.2	Confident	58 Å²	58	69.1 Å²	69.1	38%	0.377	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	142.9	165.5	25.4	-31.9	0	0	0	110.1	H168 L227	H168-P244 HydrophobicContact CB-CB 3.79Å; L227-P244 HydrophobicContact CD2-CB 4.01Å; L227-P244 HydrophobicContact CD2-CG 4.23Å
245	H	83.7	Confident	70	Confident	55 Å²	55	73 Å²	73	26%	0.255	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.9	169.8	-163.7	-83.7	0	0	0	107.7	H168 G170 K172 G247	H168-H245 CarbonylContact C-O 3.56Å; H168-H245 VanDerWaalsContact C-O 3.28Å; H168-H245 VanDerWaalsContact CA-O 3.27Å; H168-H245 WeakPolarHBondContact CA-O 3.46Å; H168-H245 WeakPolarHBondContact CB-O 3.28Å; G170-H245 CarbonylContact C-O 3.51Å; G170-H245 PolarHBondContact N-O 2.9Å; G170-H245 PolarHBondContact O-N 3.26Å; K172-H245 HydrophobicContact CB-CB 4.24Å; H245-G247 PolarHBondContact ND1-N 3.15Å; H245-G247 PolarHBondContact ND1-O 3.03Å; H245-G247 PolarHBondContact O-N 3.18Å
246	E	74.8	Confident	67.5	Low	140 Å²	140	75.6 Å²	75.6	65%	0.654	43%	0.432	S	S	*	.			trans	-68.7	4.1	176.8	-59.2	-179.1	153.8	0	0	112.7
247	G	57.2	Low	65	Low	8 Å²	8	75.8 Å²	75.8	8%	0.082	44%	0.442	C	S	.	.			trans	72	-177.1	-170	0	0	0	0	0	112.4	H245	H245-G247 PolarHBondContact ND1-N 3.15Å; H245-G247 PolarHBondContact ND1-O 3.03Å; H245-G247 PolarHBondContact O-N 3.18Å
248	L	56	Low	62.9	Low	75 Å²	75	76.9 Å²	76.9	39%	0.393	44%	0.436	S	S	.	.			trans	-104.4	103.2	154.5	-70	173.7	0	0	0	106.6	F203 T216 S250	F203-L248 HydrophobicContact CD2-CD1 3.62Å; F203-L248 HydrophobicContact CE2-CD1 3.75Å; T216-L248 PolarHBondContact OG1-N 3.43Å; L248-S250 PolarHBondContact O-N 3.27Å; L248-S250 PolarHBondContact O-OG 3.38Å
249	N	40.8	Very low	60.4	Low	85 Å²	85	80.5 Å²	80.5	46%	0.455	45%	0.451	S	S	.	.			trans	-50.7	107.8	177.3	-88.8	-5.6	0	0	0	109.8	E251 D252	N249-E251 PolarHBondContact O-N 2.88Å; N249-D252 HydrophobicContact CB-CB 4.33Å; N249-D252 WeakPolarHBondContact CB-OD2 3.45Å; N249-D252 PolarHBondContact ND2-OD2 3.02Å; N249-D252 PolarHBondContact O-N 2.94Å
250	S	40.9	Very low	58.1	Low	78 Å²	78	83.4 Å²	83.4	55%	0.545	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	69.5	179	-63.8	0	0	0	0	110	T200 L248	T200-S250 WeakPolarHBondContact CG2-OG 3.36Å; L248-S250 PolarHBondContact O-N 3.27Å; L248-S250 PolarHBondContact O-OG 3.38Å
251	E	38.2	Very low	56.2	Low	137 Å²	137	84.4 Å²	84.4	64%	0.64	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-169.9	-6.9	143	-101.5	-49.8	110.2	0	0	112.9	N249 P253 K343	N249-E251 PolarHBondContact O-N 2.88Å; E251-P253 WeakPolarHBondContact O-CD 3.24Å; E251-K343 PolarHBondContact O-NZ 2.84Å; E251-K343 IonicContact OE2-NZ 3.06Å; E251-K343 PolarHBondContact OE2-NZ 3.25Å
252	D	42.5	Very low	54.9	Low	93 Å²	93	85.5 Å²	85.5	50%	0.497	47%	0.468	S	S	.	.			trans	-96.5	110	178	-54.5	-37.7	0	0	0	110.6	N249 D254	N249-D252 HydrophobicContact CB-CB 4.33Å; N249-D252 WeakPolarHBondContact CB-OD2 3.45Å; N249-D252 PolarHBondContact ND2-OD2 3.02Å; N249-D252 PolarHBondContact O-N 2.94Å; D252-D254 PolarHBondContact O-N 3.19Å
253	P	44	Very low	54.2	Low	81 Å²	81	87.9 Å²	87.9	53%	0.526	48%	0.48	S	S	.	.			trans	-78.3	-3.5	173.1	30.4	-30.3	0	0	0	113.5	E251 L255 C256	E251-P253 WeakPolarHBondContact O-CD 3.24Å; P253-L255 VanDerWaalsContact C-N 3.29Å; P253-L255 PolarHBondContact O-N 2.87Å; P253-L255 VanDerWaalsContact O-N 3.16Å; P253-C256 PolarHBondContact O-N 3.4Å
254	D	41.6	Very low	54	Low	87 Å²	87	86 Å²	86	47%	0.465	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	16.8	-156.6	-47.1	-50.7	0	0	0	114.7	D252 C256	D252-D254 PolarHBondContact O-N 3.19Å; D254-C256 CarbonylContact C-O 3.53Å
255	L	44	Very low	53.8	Low	172 Å²	172	85.7 Å²	85.7	90%	0.901	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	12.6	169.4	-65.9	178.6	0	0	0	113.3	P253	P253-L255 VanDerWaalsContact C-N 3.29Å; P253-L255 PolarHBondContact O-N 2.87Å; P253-L255 VanDerWaalsContact O-N 3.16Å
256	C	37.8	Very low	53.7	Low	68 Å²	68	85.3 Å²	85.3	46%	0.459	46%	0.461	S	S	.	.	S	Bend	trans	-77.7	152.5	136.1	-84.4	0	0	0	0	108.5	P253 D254 P258 A261	P253-C256 PolarHBondContact O-N 3.4Å; D254-C256 CarbonylContact C-O 3.53Å; C256-P258 WeakPolarHBondContact O-CA 3.12Å; C256-P258 VanDerWaalsContact O-CD 3.22Å; C256-P258 WeakPolarHBondContact O-CD 3.34Å; C256-A261 HydrophobicContact CB-CB 3.58Å
257	P	35.4	Very low	54.2	Low	95 Å²	95	82.2 Å²	82.2	62%	0.617	45%	0.453	S	S	*	.			trans	-48.7	109.6	169.7	-29	36.8	0	0	0	110.6	E259 H260	P257-E259 VanDerWaalsContact C-N 3.31Å; P257-E259 PolarHBondContact O-N 3.3Å; P257-H260 PolarHBondContact O-N 2.82Å
258	P	44.5	Very low	55.5	Low	91 Å²	91	89 Å²	89	59%	0.591	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-33.3	-150.6	-33.4	37.6	0	0	0	116.3	C256	C256-P258 WeakPolarHBondContact O-CA 3.12Å; C256-P258 VanDerWaalsContact O-CD 3.22Å; C256-P258 WeakPolarHBondContact O-CD 3.34Å
259	E	37.8	Very low	57.2	Low	120 Å²	120	85.6 Å²	85.6	56%	0.561	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-8.9	-178	-71.9	-169.6	77.8	0	0	115.4	P257 K330	P257-E259 VanDerWaalsContact C-N 3.31Å; P257-E259 PolarHBondContact O-N 3.3Å; E259-K330 WeakPolarHBondContact OE1-CE 3.12Å
260	H	42.2	Very low	59.8	Low	145 Å²	145	81.8 Å²	81.8	67%	0.671	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.3	-7.1	-160.6	-68.1	-6.5	0	0	0	116	P257	P257-H260 PolarHBondContact O-N 2.82Å
261	A	54.5	Low	62.4	Low	28 Å²	28	78.1 Å²	78.1	23%	0.231	42%	0.417	C	S	.	.	S	Bend	trans	-88.1	-12.2	174.8	0	0	0	0	0	114.7	C256 N263	C256-A261 HydrophobicContact CB-CB 3.58Å; A261-N263 PolarHBondContact O-N 3.23Å
262	L	63.7	Low	65.2	Low	65 Å²	65	71.9 Å²	71.9	34%	0.34	39%	0.389	S	S	.	.			trans	-98.4	47.5	-170.4	-57.6	179.5	0	0	0	113.6	V326 F346	L262-V326 WeakPolarHBondContact O-CG1 3.26Å; L262-V326 WeakPolarHBondContact O-CG2 3.19Å; L262-F346 HydrophobicContact CB-CE2 4.15Å; L262-F346 HydrophobicContact CD2-CE2 4.05Å
263	N	77.7	Confident	67.7	Low	74 Å²	74	67.5 Å²	67.5	40%	0.396	37%	0.365	S	S	.	.			trans	-76.5	171.4	175.8	68.3	50.8	0	0	0	113.3	A261 Y265 H266	A261-N263 PolarHBondContact O-N 3.23Å; N263-Y265 PolarHBondContact O-N 3.46Å; N263-Y265 VanDerWaalsContact O-N 3.07Å; N263-Y265 WeakPolarHBondContact OD1-CA 3.32Å; N263-Y265 PolarHBondContact OD1-N 3.22Å; N263-H266 VanDerWaalsContact O-CB 3.24Å; N263-H266 WeakPolarHBondContact O-CB 3.46Å; N263-H266 PolarHBondContact O-N 2.93Å; N263-H266 PolarHBondContact OD1-N 3.12Å
264	E	86.5	Confident	70.2	Confident	51 Å²	51	66.3 Å²	66.3	24%	0.238	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-8	-175	-42.2	98.5	110.3	0	0	114.4	I322 K323 V326 Q419	E264-I322 HydrophobicContact CB-CB 4.27Å; E264-I322 HydrophobicContact CB-CG2 3.83Å; E264-I322 HydrophobicContact CG-CG2 4.34Å; E264-K323 HydrophobicContact CG-CG 3.84Å; E264-K323 WeakPolarHBondContact OE1-CG 3.38Å; E264-V326 HydrophobicContact CG-CG2 4.05Å; E264-Q419 HydrophobicContact CB-CG 4.24Å; E264-Q419 PolarHBondContact OE1-NE2 3.16Å
265	Y	85.4	Confident	72.6	Confident	51 Å²	51	62.2 Å²	62.2	20%	0.2	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	13.6	176.8	-51.1	-79.6	0	0	0	112.1	N263 N359 N410 K417 Q419	N263-Y265 PolarHBondContact O-N 3.46Å; N263-Y265 VanDerWaalsContact O-N 3.07Å; N263-Y265 WeakPolarHBondContact OD1-CA 3.32Å; N263-Y265 PolarHBondContact OD1-N 3.22Å; Y265-N359 PolarHBondContact OH-ND2 3.12Å; Y265-N359 VanDerWaalsContact OH-ND2 3.15Å; Y265-N410 PolarHBondContact O-ND2 2.91Å; Y265-N410 PolarHBondContact O-OD1 2.93Å; Y265-K417 HydrophobicContact CD1-CB 3.78Å; Y265-K417 HydrophobicContact CD1-CD 4.38Å; Y265-K417 HydrophobicContact CE1-CB 3.46Å; Y265-K417 VanDerWaalsContact CE1-CB 3.46Å; Y265-K417 WeakPolarHBondContact CE1-O 3.38Å; Y265-K417 HydrophobicContact CG-CB 4.46Å; Y265-K417 HydrophobicContact CG-CD 4.29Å; Y265-K417 PolarHBondContact OH-O 2.91Å; Y265-Q419 HydrophobicContact CD1-CG 4.18Å; Y265-Q419 HydrophobicContact CE1-CG 3.59Å
266	H	82.9	Confident	74.8	Confident	47 Å²	47	54.2 Å²	54.2	22%	0.218	29%	0.289	C	S	.	.	S	Bend	trans	-67.9	137.6	168.6	179	-105.1	0	0	0	109.4	N263 K268 A269 F346	N263-H266 VanDerWaalsContact O-CB 3.24Å; N263-H266 WeakPolarHBondContact O-CB 3.46Å; N263-H266 PolarHBondContact O-N 2.93Å; N263-H266 PolarHBondContact OD1-N 3.12Å; H266-K268 PolarHBondContact ND1-N 3.14Å; H266-K268 PolarHBondContact O-N 2.97Å; H266-A269 HydrophobicContact CB-CB 4.34Å; H266-A269 WeakPolarHBondContact O-CB 3.44Å; H266-A269 PolarHBondContact O-N 2.7Å; H266-F346 AromaticContact ND1-CE2 3.93Å
267	P	83.8	Confident	77.1	Confident	76 Å²	76	55.1 Å²	55.1	49%	0.494	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.6	-172.7	24.6	-35.9	0	0	0	115.5	R409	P267-R409 PolarHBondContact O-NH1 3.47Å
268	K	86.5	Confident	79.6	Confident	149 Å²	149	50.9 Å²	50.9	65%	0.648	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-5	168.6	-54.2	-176.1	-169.6	169.5	0	113.7	H266 F346	H266-K268 PolarHBondContact ND1-N 3.14Å; H266-K268 PolarHBondContact O-N 2.97Å; K268-F346 HydrophobicContact CB-CB 4.49Å; K268-F346 HydrophobicContact CB-CD2 4.39Å; K268-F346 VanDerWaalsContact O-CB 3.29Å; K268-F346 WeakPolarHBondContact O-CB 3.5Å
269	A	91.8	Very high	81	Confident	4 Å²	4	48.1 Å²	48.1	3%	0.033	24%	0.244	C	C	.	.			trans	-68.5	140.5	-173.9	0	0	0	0	0	111.9	H266 I322 F346	H266-A269 HydrophobicContact CB-CB 4.34Å; H266-A269 WeakPolarHBondContact O-CB 3.44Å; H266-A269 PolarHBondContact O-N 2.7Å; A269-I322 HydrophobicContact CB-CG2 3.81Å; A269-F346 HydrophobicContact CB-CD1 4.26Å; A269-F346 HydrophobicContact CB-CE1 3.76Å; A269-F346 HydrophobicContact CB-CE2 4.34Å; A269-F346 HydrophobicContact CB-CZ 3.8Å
270	T	94.9	Very high	82.6	Confident	6 Å²	6	44 Å²	44	4%	0.037	23%	0.228	C	C	.	.			trans	-152.4	168.8	-173.7	55.3	0	0	0	0	109.1	T272 V325 G347 S349	T270-T272 PolarHBondContact O-N 3.25Å; T270-T272 PolarHBondContact OG1-N 3.1Å; T270-T272 PolarHBondContact OG1-O 3.35Å; T270-V325 WeakPolarHBondContact O-CG2 3.37Å; T270-G347 WeakPolarHBondContact CB-O 3.13Å; T270-G347 WeakPolarHBondContact CG2-O 3.41Å; T270-G347 PolarHBondContact OG1-O 3.25Å; T270-S349 WeakPolarHBondContact CB-OG 3.21Å
271	K	95.8	Very high	83.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-75.8	-0.7	169.1	-64.1	-172.3	-55.7	-53.5	0	113.6	Q318 Y319 I322 V325 W356 D421 Y422 C427	K271-Q318 HydrophobicContact CB-CG 4.29Å; K271-Q318 WeakPolarHBondContact O-CA 3.32Å; K271-Y319 WeakPolarHBondContact CB-O 3.46Å; K271-Y319 PolarHBondContact O-N 2.83Å; K271-I322 HydrophobicContact CG-CG1 4.03Å; K271-V325 WeakPolarHBondContact O-CG2 3.29Å; K271-W356 HydrophobicContact CD-CD2 3.75Å; K271-W356 HydrophobicContact CD-CE3 3.88Å; K271-W356 HydrophobicContact CD-CG 4.36Å; K271-W356 HydrophobicContact CD-CH2 3.92Å; K271-W356 HydrophobicContact CD-CZ2 3.78Å; K271-W356 HydrophobicContact CD-CZ3 3.97Å; K271-W356 HydrophobicContact CG-CE3 4.25Å; K271-W356 HydrophobicContact CG-CH2 4.07Å; K271-W356 HydrophobicContact CG-CZ2 4.41Å; K271-W356 HydrophobicContact CG-CZ3 3.99Å; K271-D421 WeakPolarHBondContact CB-OD2 3.37Å; K271-D421 WeakPolarHBondContact CG-OD2 3.44Å; K271-D421 PolarHBondContact N-OD2 3.01Å; K271-D421 IonicContact NZ-OD2 3.26Å; K271-D421 PolarHBondContact NZ-OD2 2.92Å; K271-Y422 PolarHBondContact NZ-O 3.08Å; K271-C427 VanDerWaalsContact CE-SG 3.5Å
272	T	96.3	Very high	84.9	Confident	7 Å²	7	43 Å²	43	4%	0.043	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.7	-172.2	-51.5	0	0	0	0	109.7	T270 F316 G347 S349	T270-T272 PolarHBondContact O-N 3.25Å; T270-T272 PolarHBondContact OG1-N 3.1Å; T270-T272 PolarHBondContact OG1-O 3.35Å; T272-F316 HydrophobicContact CG2-CB 3.81Å; T272-F316 HydrophobicContact CG2-CD1 3.96Å; T272-F316 HydrophobicContact CG2-CG 4.22Å; T272-G347 WeakPolarHBondContact O-CA 3.39Å; T272-G347 PolarHBondContact O-N 3.38Å; T272-S349 PolarHBondContact OG1-OG 3.14Å
273	L	95.7	Very high	85.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.9	168.9	-179.4	72	0	0	0	109.2	V275 F292 F316 I317 Y319 V325 A328 L329 L344	L273-V275 HydrophobicContact CD2-CG2 4Å; L273-V275 HydrophobicContact CG-CG2 4.12Å; L273-F292 HydrophobicContact CD2-CD1 3.6Å; L273-F292 HydrophobicContact CD2-CE1 3.62Å; L273-F292 HydrophobicContact CD2-CG 4.47Å; L273-F292 HydrophobicContact CD2-CZ 4.5Å; L273-F316 CarbonylContact O-C 3.59Å; L273-F316 WeakPolarHBondContact O-CA 3.44Å; L273-I317 HydrophobicContact CB-CB 4.35Å; L273-I317 PolarHBondContact N-O 3.3Å; L273-I317 PolarHBondContact O-N 2.86Å; L273-Y319 HydrophobicContact CB-CD2 4.46Å; L273-Y319 HydrophobicContact CB-CE2 3.93Å; L273-Y319 HydrophobicContact CD2-CE2 4.1Å; L273-V325 HydrophobicContact CB-CG1 4.16Å; L273-V325 HydrophobicContact CB-CG2 4.37Å; L273-V325 HydrophobicContact CD1-CG1 3.97Å; L273-A328 HydrophobicContact CD1-CB 4.17Å; L273-A328 HydrophobicContact CD2-CB 3.8Å; L273-L329 HydrophobicContact CD1-CD2 4.01Å; L273-L329 HydrophobicContact CD1-CG 4.17Å; L273-L344 HydrophobicContact CD1-CB 4.22Å; L273-L344 HydrophobicContact CD2-CD2 4.41Å
274	F	94.9	Very high	86.3	Confident	57 Å²	57	40.6 Å²	40.6	25%	0.25	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	135.7	165	167.9	-94.1	0	0	0	109.3	Y314 F316 L344 G345	F274-Y314 HydrophobicContact CD2-CD2 4.11Å; F274-Y314 AromaticContact CE2-CD2 3.62Å; F274-Y314 HydrophobicContact CE2-CD2 3.62Å; F274-Y314 AromaticContact CE2-CG 3.95Å; F274-Y314 HydrophobicContact CE2-CG 3.95Å; F274-F316 HydrophobicContact CB-CD1 4.34Å; F274-F316 HydrophobicContact CB-CE1 4.24Å; F274-F316 HydrophobicContact CD2-CD1 4.34Å; F274-F316 AromaticContact CD2-CE1 3.76Å; F274-F316 HydrophobicContact CD2-CE1 3.76Å; F274-F316 HydrophobicContact CD2-CZ 4.37Å; F274-F316 HydrophobicContact CG-CE1 4.5Å; F274-L344 WeakPolarHBondContact O-CA 3.42Å; F274-G345 PolarHBondContact N-O 3.39Å; F274-G345 PolarHBondContact O-N 3.46Å; F274-G345 VanDerWaalsContact O-N 3.14Å
275	V	93.2	Very high	86.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	99.1	176.5	-171	0	0	0	0	108.6	L273 L278 F292 Y314 A315 I317 V342 L344	L273-V275 HydrophobicContact CD2-CG2 4Å; L273-V275 HydrophobicContact CG-CG2 4.12Å; V275-L278 HydrophobicContact CB-CD1 4.26Å; V275-L278 HydrophobicContact CG1-CD1 4.03Å; V275-L278 HydrophobicContact CG1-CD2 3.86Å; V275-L278 HydrophobicContact CG1-CG 4.06Å; V275-L278 WeakPolarHBondContact O-CD1 3.49Å; V275-F292 HydrophobicContact CG1-CE2 4.05Å; V275-F292 HydrophobicContact CG1-CZ 3.9Å; V275-F292 HydrophobicContact CG2-CE1 4.35Å; V275-F292 HydrophobicContact CG2-CE2 4.05Å; V275-F292 HydrophobicContact CG2-CZ 3.86Å; V275-Y314 CarbonylContact O-C 3.28Å; V275-Y314 WeakPolarHBondContact O-CA 3.45Å; V275-A315 HydrophobicContact CB-CB 4.4Å; V275-A315 PolarHBondContact N-O 2.93Å; V275-A315 PolarHBondContact O-N 2.84Å; V275-I317 HydrophobicContact CG2-CD1 3.81Å; V275-I317 HydrophobicContact CG2-CG1 4.2Å; V275-V342 HydrophobicContact CG1-CB 3.95Å; V275-V342 HydrophobicContact CG1-CG1 3.98Å; V275-V342 HydrophobicContact CG1-CG2 4.29Å; V275-L344 HydrophobicContact CB-CD2 4.17Å; V275-L344 HydrophobicContact CG1-CD2 3.89Å; V275-L344 HydrophobicContact CG2-CD2 3.9Å
276	G	90.1	Very high	86.8	Confident	4 Å²	4	44.2 Å²	44.2	4%	0.041	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	173.9	176.3	0	0	0	0	0	113.5	L278 V342 K343	G276-L278 VanDerWaalsContact C-N 3.31Å; G276-V342 WeakPolarHBondContact O-CA 3.34Å; G276-V342 WeakPolarHBondContact O-CB 3.35Å; G276-K343 PolarHBondContact N-O 2.9Å; G276-K343 PolarHBondContact O-N 3.37Å; G276-K343 VanDerWaalsContact O-N 3.13Å
277	N	86.5	Confident	87.2	Confident	88 Å²	88	43 Å²	43	47%	0.471	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	63.2	30.2	-176.6	-161.1	42.1	0	0	0	114.4	P341	N277-P341 PolarHBondContact ND2-O 3.14Å
278	L	87.1	Confident	87.7	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	151.7	174.6	-62.4	174.5	0	0	0	110.9	V275 G276 I283 L288 S313 A315 V337 V342	V275-L278 HydrophobicContact CB-CD1 4.26Å; V275-L278 HydrophobicContact CG1-CD1 4.03Å; V275-L278 HydrophobicContact CG1-CD2 3.86Å; V275-L278 HydrophobicContact CG1-CG 4.06Å; V275-L278 WeakPolarHBondContact O-CD1 3.49Å; G276-L278 VanDerWaalsContact C-N 3.31Å; L278-I283 HydrophobicContact CB-CG1 4.5Å; L278-I283 HydrophobicContact CB-CG2 4.41Å; L278-I283 HydrophobicContact CD1-CG1 4.28Å; L278-I283 HydrophobicContact CD2-CD1 4.36Å; L278-I283 HydrophobicContact CD2-CG1 4.26Å; L278-L288 HydrophobicContact CD1-CD1 4.23Å; L278-L288 HydrophobicContact CD1-CD2 4.11Å; L278-L288 HydrophobicContact CD2-CD2 4.06Å; L278-S313 WeakPolarHBondContact CB-O 3.47Å; L278-S313 VanDerWaalsContact CB-OG 3.28Å; L278-S313 WeakPolarHBondContact CB-OG 3.5Å; L278-S313 PolarHBondContact N-O 3.06Å; L278-S313 PolarHBondContact O-N 3.39Å; L278-S313 PolarHBondContact O-OG 2.82Å; L278-A315 HydrophobicContact CD1-CB 3.65Å; L278-V337 HydrophobicContact CD2-CB 4.17Å; L278-V337 HydrophobicContact CD2-CG1 3.88Å; L278-V337 HydrophobicContact CD2-CG2 4.44Å; L278-V342 HydrophobicContact CD2-CG1 3.77Å
279	C	74.1	Confident	88.1	Confident	34 Å²	34	36.6 Å²	36.6	23%	0.23	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	107.2	-175.2	-166.7	0	0	0	0	110.2	G281 T282 I283 K340	C279-G281 PolarHBondContact O-N 3.36Å; C279-T282 PolarHBondContact O-N 3.14Å; C279-I283 WeakPolarHBondContact O-CG2 3.33Å; C279-I283 PolarHBondContact O-N 3.03Å; C279-K340 HydrophobicContact CB-CD 4.38Å; C279-K340 PolarHBondContact SG-NZ 2.91Å
280	S	71.9	Confident	88.1	Confident	33 Å²	33	44.8 Å²	44.8	23%	0.231	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.7	-167.8	-51.3	0	0	0	0	115.6	G311 T312 S313	S280-G311 PolarHBondContact N-O 2.92Å; S280-G311 PolarHBondContact OG-O 2.88Å; S280-T312 WeakPolarHBondContact OG-CA 3.45Å; S280-T312 PolarHBondContact OG-N 3.05Å; S280-T312 PolarHBondContact OG-O 3.39Å; S280-S313 PolarHBondContact OG-N 2.74Å
281	G	68.7	Low	87.9	Confident	74 Å²	74	46.7 Å²	46.7	76%	0.763	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-7.6	-177	0	0	0	0	0	116.1	C279	C279-G281 PolarHBondContact O-N 3.36Å
282	T	75	Confident	87.9	Confident	77 Å²	77	46.7 Å²	46.7	47%	0.472	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.6	-18.8	-174.1	62.4	0	0	0	0	115.2	C279 T284 N338	C279-T282 PolarHBondContact O-N 3.14Å; T282-T284 PolarHBondContact O-N 2.91Å; T282-N338 PolarHBondContact OG1-ND2 3.49Å
283	I	82.6	Confident	87.8	Confident	22 Å²	22	55.3 Å²	55.3	11%	0.113	29%	0.286	C	S	.	.			trans	-72.1	129.4	-172.2	-169.7	55.1	0	0	0	112.4	L278 C279 E287 L288 I303 V337	L278-I283 HydrophobicContact CB-CG1 4.5Å; L278-I283 HydrophobicContact CB-CG2 4.41Å; L278-I283 HydrophobicContact CD1-CG1 4.28Å; L278-I283 HydrophobicContact CD2-CD1 4.36Å; L278-I283 HydrophobicContact CD2-CG1 4.26Å; C279-I283 WeakPolarHBondContact O-CG2 3.33Å; C279-I283 PolarHBondContact O-N 3.03Å; I283-E287 HydrophobicContact CD1-CB 4.22Å; I283-E287 HydrophobicContact CD1-CG 4.32Å; I283-E287 WeakPolarHBondContact CD1-OE2 3.19Å; I283-L288 HydrophobicContact CD1-CD2 3.84Å; I283-L288 HydrophobicContact CD1-CG 3.83Å; I283-L288 HydrophobicContact CG1-CD1 4.2Å; I283-L288 HydrophobicContact CG1-CD2 4.2Å; I283-L288 HydrophobicContact CG1-CG 4.02Å; I283-I303 HydrophobicContact CG2-CG2 4.3Å; I283-V337 HydrophobicContact CD1-CG1 3.39Å
284	T	88.7	Confident	87.6	Confident	67 Å²	67	58.7 Å²	58.7	41%	0.411	32%	0.321	S	S	.	.			trans	-117.1	151.9	177.8	57.5	0	0	0	0	111.8	T282 D286 E287 L288	T282-T284 PolarHBondContact O-N 2.91Å; T284-D286 PolarHBondContact O-N 2.81Å; T284-E287 PolarHBondContact O-N 2.67Å; T284-E287 VanDerWaalsContact O-N 3.09Å; T284-E287 WeakPolarHBondContact OG1-CB 3.47Å; T284-E287 PolarHBondContact OG1-N 3.05Å; T284-L288 PolarHBondContact O-N 2.75Å
285	Q	91.2	Very high	87.6	Confident	84 Å²	84	57.2 Å²	57.2	39%	0.393	31%	0.314	S	S	.	.	H	α-helix	trans	-58.1	-36.7	176.8	-155.8	-166	49.2	0	0	111.5	R289 I301 I303	Q285-R289 VanDerWaalsContact O-CB 3.28Å; Q285-R289 WeakPolarHBondContact O-CB 3.46Å; Q285-R289 PolarHBondContact O-N 3.02Å; Q285-I301 HydrophobicContact CG-CB 3.64Å; Q285-I301 HydrophobicContact CG-CD1 4.23Å; Q285-I301 HydrophobicContact CG-CG1 4.44Å; Q285-I301 HydrophobicContact CG-CG2 3.71Å; Q285-I301 PolarHBondContact NE2-O 3.47Å; Q285-I303 HydrophobicContact CB-CD1 4.42Å
286	D	91.7	Very high	87.6	Confident	95 Å²	95	57.9 Å²	57.9	51%	0.508	32%	0.32	S	S	.	.	H	α-helix	trans	-72.6	-26.2	177.2	-70	-54.7	0	0	0	114.2	T284 R290	T284-D286 PolarHBondContact O-N 2.81Å; D286-R290 WeakPolarHBondContact O-CB 3.39Å; D286-R290 VanDerWaalsContact O-CG 3.26Å; D286-R290 WeakPolarHBondContact O-CG 3.47Å; D286-R290 PolarHBondContact O-N 3.49Å; D286-R290 PolarHBondContact O-NE 2.95Å
287	E	90.9	Very high	87.8	Confident	21 Å²	21	62.5 Å²	62.5	10%	0.098	34%	0.341	C	S	.	.	H	α-helix	trans	-71.9	-45.9	172.1	-172	-168	161.1	0	0	111.1	I283 T284 R289 R290 T291 V337 N338	I283-E287 HydrophobicContact CD1-CB 4.22Å; I283-E287 HydrophobicContact CD1-CG 4.32Å; I283-E287 WeakPolarHBondContact CD1-OE2 3.19Å; T284-E287 PolarHBondContact O-N 2.67Å; T284-E287 VanDerWaalsContact O-N 3.09Å; T284-E287 WeakPolarHBondContact OG1-CB 3.47Å; T284-E287 PolarHBondContact OG1-N 3.05Å; E287-R289 VanDerWaalsContact C-N 3.35Å; E287-R289 PolarHBondContact O-N 3.01Å; E287-R290 VanDerWaalsContact CA-NH2 3.32Å; E287-R290 PolarHBondContact O-N 2.81Å; E287-T291 WeakPolarHBondContact O-CB 3.42Å; E287-T291 PolarHBondContact O-N 3.26Å; E287-T291 PolarHBondContact O-OG1 3.08Å; E287-V337 HydrophobicContact CG-CG1 4.46Å; E287-V337 WeakPolarHBondContact OE1-CG1 3.5Å; E287-N338 PolarHBondContact OE1-N 3.47Å; E287-N338 PolarHBondContact OE1-ND2 2.94Å; E287-N338 PolarHBondContact OE1-OD1 3.32Å; E287-N338 PolarHBondContact OE2-ND2 3.09Å
288	L	93.4	Very high	88.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.1	-47.5	171.6	-66.6	177.2	0	0	0	110.4	L278 I283 T284 R290 T291 F292 I301 I303 A315 I317 V337	L278-L288 HydrophobicContact CD1-CD1 4.23Å; L278-L288 HydrophobicContact CD1-CD2 4.11Å; L278-L288 HydrophobicContact CD2-CD2 4.06Å; I283-L288 HydrophobicContact CD1-CD2 3.84Å; I283-L288 HydrophobicContact CD1-CG 3.83Å; I283-L288 HydrophobicContact CG1-CD1 4.2Å; I283-L288 HydrophobicContact CG1-CD2 4.2Å; I283-L288 HydrophobicContact CG1-CG 4.02Å; T284-L288 PolarHBondContact O-N 2.75Å; L288-R290 PolarHBondContact O-N 3.09Å; L288-T291 PolarHBondContact O-N 2.98Å; L288-F292 HydrophobicContact CB-CD2 4.43Å; L288-F292 HydrophobicContact CD2-CD2 4.19Å; L288-F292 HydrophobicContact CD2-CE2 3.88Å; L288-F292 WeakPolarHBondContact O-CB 3.31Å; L288-F292 WeakPolarHBondContact O-CD2 3.45Å; L288-F292 PolarHBondContact O-N 3.39Å; L288-I301 HydrophobicContact CB-CD1 4.16Å; L288-I301 HydrophobicContact CB-CG2 4.3Å; L288-I301 HydrophobicContact CD1-CG2 3.82Å; L288-I303 HydrophobicContact CD1-CD1 3.77Å; L288-I303 HydrophobicContact CD1-CG1 3.87Å; L288-A315 HydrophobicContact CD1-CB 3.56Å; L288-I317 HydrophobicContact CB-CD1 4.19Å; L288-V337 HydrophobicContact CD2-CG1 4.28Å
289	R	94.8	Very high	88.6	Confident	90 Å²	90	60.6 Å²	60.6	34%	0.34	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-41.1	177	-174.3	174.1	-89	144.6	-6.9	112.3	Q285 E287 R293 I301	Q285-R289 VanDerWaalsContact O-CB 3.28Å; Q285-R289 WeakPolarHBondContact O-CB 3.46Å; Q285-R289 PolarHBondContact O-N 3.02Å; E287-R289 VanDerWaalsContact C-N 3.35Å; E287-R289 PolarHBondContact O-N 3.01Å; R289-R293 WeakPolarHBondContact O-CB 3.42Å; R289-R293 PolarHBondContact O-N 3.18Å; R289-I301 HydrophobicContact CB-CD1 3.76Å
290	R	92.3	Very high	89.6	Confident	177 Å²	177	62.4 Å²	62.4	67%	0.668	34%	0.336	S	S	*	.	H	α-helix	trans	-64	-44.3	175.1	-82.4	172.3	-72.6	151	-3.6	112.4	D286 E287 L288	D286-R290 WeakPolarHBondContact O-CB 3.39Å; D286-R290 VanDerWaalsContact O-CG 3.26Å; D286-R290 WeakPolarHBondContact O-CG 3.47Å; D286-R290 PolarHBondContact O-N 3.49Å; D286-R290 PolarHBondContact O-NE 2.95Å; E287-R290 VanDerWaalsContact CA-NH2 3.32Å; E287-R290 PolarHBondContact O-N 2.81Å; L288-R290 PolarHBondContact O-N 3.09Å
291	T	92.2	Very high	90.6	Very high	46 Å²	46	61.2 Å²	61.2	28%	0.282	33%	0.327	S	S	.	.	H	α-helix	trans	-69.9	-45.2	-177.2	-49.2	0	0	0	0	111.9	E287 L288 V335 V337	E287-T291 WeakPolarHBondContact O-CB 3.42Å; E287-T291 PolarHBondContact O-N 3.26Å; E287-T291 PolarHBondContact O-OG1 3.08Å; L288-T291 PolarHBondContact O-N 2.98Å; T291-V335 HydrophobicContact CG2-CG1 4.09Å; T291-V337 HydrophobicContact CG2-CG2 4.24Å
292	F	94.7	Very high	91.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-95.4	-11.3	-167.9	-74.3	-76	0	0	0	115	L273 V275 L288 G294 Y295 I298 I317 Y319 V335 V337 V342 L344	L273-F292 HydrophobicContact CD2-CD1 3.6Å; L273-F292 HydrophobicContact CD2-CE1 3.62Å; L273-F292 HydrophobicContact CD2-CG 4.47Å; L273-F292 HydrophobicContact CD2-CZ 4.5Å; V275-F292 HydrophobicContact CG1-CE2 4.05Å; V275-F292 HydrophobicContact CG1-CZ 3.9Å; V275-F292 HydrophobicContact CG2-CE1 4.35Å; V275-F292 HydrophobicContact CG2-CE2 4.05Å; V275-F292 HydrophobicContact CG2-CZ 3.86Å; L288-F292 HydrophobicContact CB-CD2 4.43Å; L288-F292 HydrophobicContact CD2-CD2 4.19Å; L288-F292 HydrophobicContact CD2-CE2 3.88Å; L288-F292 WeakPolarHBondContact O-CB 3.31Å; L288-F292 WeakPolarHBondContact O-CD2 3.45Å; L288-F292 PolarHBondContact O-N 3.39Å; F292-G294 PolarHBondContact O-N 3.24Å; F292-Y295 HydrophobicContact CB-CD2 4.47Å; F292-Y295 AromaticContact CD1-CD2 3.88Å; F292-Y295 HydrophobicContact CD1-CD2 3.88Å; F292-Y295 AromaticContact CD1-CE2 3.9Å; F292-Y295 HydrophobicContact CD1-CE2 3.9Å; F292-Y295 HydrophobicContact CE1-CE2 4.39Å; F292-Y295 WeakPolarHBondContact O-CD2 3.28Å; F292-Y295 PolarHBondContact O-N 3.23Å; F292-I298 HydrophobicContact CB-CD1 3.97Å; F292-I317 HydrophobicContact CB-CD1 3.83Å; F292-I317 HydrophobicContact CD1-CD1 4.31Å; F292-I317 HydrophobicContact CD2-CD1 3.33Å; F292-I317 HydrophobicContact CE2-CD1 3.96Å; F292-I317 HydrophobicContact CG-CD1 3.55Å; F292-Y319 WeakPolarHBondContact CB-OH 3.28Å; F292-Y319 PolarHBondContact O-OH 3.49Å; F292-V335 HydrophobicContact CE1-CG1 3.9Å; F292-V335 HydrophobicContact CZ-CG1 3.71Å; F292-V337 HydrophobicContact CE2-CG2 4.12Å; F292-V342 HydrophobicContact CZ-CG2 4.39Å; F292-L344 HydrophobicContact CE1-CD1 4.18Å; F292-L344 HydrophobicContact CE1-CD2 3.94Å; F292-L344 HydrophobicContact CZ-CD2 3.86Å
293	R	94.1	Very high	92.6	Very high	187 Å²	187	58.3 Å²	58.3	71%	0.706	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-65.3	-21.1	178.8	175.7	177.8	-178.3	-164.1	0.3	113.5	R289 Y295 G296 I298	R289-R293 WeakPolarHBondContact O-CB 3.42Å; R289-R293 PolarHBondContact O-N 3.18Å; R293-Y295 PolarHBondContact O-N 3.33Å; R293-G296 PolarHBondContact O-N 2.97Å; R293-I298 HydrophobicContact CB-CD1 4.25Å
294	G	92.4	Very high	92.9	Very high	71 Å²	71	60.6 Å²	60.6	73%	0.732	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-59.4	-33.6	172.6	0	0	0	0	0	113	F292	F292-G294 PolarHBondContact O-N 3.24Å
295	Y	94.7	Very high	92.7	Very high	26 Å²	26	63.1 Å²	63.1	10%	0.102	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-81.8	-13.2	-176.5	-53.4	-66	0	0	0	114.7	F292 R293 S324 R327 A328 E331 V335	F292-Y295 HydrophobicContact CB-CD2 4.47Å; F292-Y295 AromaticContact CD1-CD2 3.88Å; F292-Y295 HydrophobicContact CD1-CD2 3.88Å; F292-Y295 AromaticContact CD1-CE2 3.9Å; F292-Y295 HydrophobicContact CD1-CE2 3.9Å; F292-Y295 HydrophobicContact CE1-CE2 4.39Å; F292-Y295 WeakPolarHBondContact O-CD2 3.28Å; F292-Y295 PolarHBondContact O-N 3.23Å; R293-Y295 PolarHBondContact O-N 3.33Å; Y295-S324 WeakPolarHBondContact O-CA 3.33Å; Y295-S324 WeakPolarHBondContact O-CB 3.22Å; Y295-S324 PolarHBondContact O-OG 3.22Å; Y295-R327 HydrophobicContact CD1-CB 4.16Å; Y295-R327 PolarHBondContact O-NE 3.28Å; Y295-R327 VanDerWaalsContact O-NE 3.16Å; Y295-R327 PolarHBondContact O-NH2 2.85Å; Y295-A328 HydrophobicContact CD1-CB 4.15Å; Y295-A328 HydrophobicContact CD2-CB 3.69Å; Y295-A328 HydrophobicContact CE2-CB 4.2Å; Y295-A328 HydrophobicContact CG-CB 3.67Å; Y295-E331 HydrophobicContact CE1-CB 4.04Å; Y295-E331 HydrophobicContact CE1-CG 4.36Å; Y295-V335 HydrophobicContact CE2-CG2 4.49Å; Y295-V335 WeakPolarHBondContact OH-CG2 3.32Å
296	G	93.4	Very high	91.9	Very high	14 Å²	14	62.5 Å²	62.5	14%	0.144	31%	0.306	C	S	.	.	S	Bend	trans	161.6	-179.9	179.6	0	0	0	0	0	116.2	R293 I298	R293-G296 PolarHBondContact O-N 2.97Å; G296-I298 PolarHBondContact O-N 3.38Å; G296-I298 VanDerWaalsContact O-N 3.15Å
297	E	94.5	Very high	91	Very high	101 Å²	101	62.6 Å²	62.6	47%	0.472	32%	0.32	S	S	.	.			trans	-71.2	102.1	174.8	-175.5	167.5	-147.3	0	0	109.6	Y319 G320 K434	E297-Y319 CarbonylContact O-C 3.55Å; E297-Y319 VanDerWaalsContact O-CA 3.31Å; E297-Y319 WeakPolarHBondContact O-CA 3.46Å; E297-G320 PolarHBondContact O-N 3.19Å; E297-K434 IonicContact OE2-NZ 3.51Å; E297-K434 PolarHBondContact OE2-NZ 2.8Å
298	I	95.7	Very high	89.8	Confident	27 Å²	27	68.7 Å²	68.7	14%	0.138	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	126	175.5	-62.1	173.8	0	0	0	109.5	F292 R293 G296 I301 I317 Y319	F292-I298 HydrophobicContact CB-CD1 3.97Å; R293-I298 HydrophobicContact CB-CD1 4.25Å; G296-I298 PolarHBondContact O-N 3.38Å; G296-I298 VanDerWaalsContact O-N 3.15Å; I298-I301 HydrophobicContact CD1-CD1 4.4Å; I298-I301 HydrophobicContact CG2-CD1 4.03Å; I298-I301 HydrophobicContact CG2-CG1 3.67Å; I298-I317 HydrophobicContact CD1-CG2 3.98Å; I298-I317 HydrophobicContact CG1-CG2 3.94Å; I298-I317 HydrophobicContact CG2-CG2 3.93Å; I298-Y319 HydrophobicContact CD1-CE1 4.42Å; I298-Y319 HydrophobicContact CG1-CD1 3.94Å; I298-Y319 HydrophobicContact CG1-CE1 3.63Å
299	I	94.4	Very high	88.7	Confident	27 Å²	27	74.1 Å²	74.1	14%	0.138	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-60.4	174.8	-64.2	178.4	0	0	0	109.2	Q318 E426 C427 A430	I299-Q318 PolarHBondContact N-O 3.35Å; I299-E426 HydrophobicContact CG2-CB 3.63Å; I299-C427 HydrophobicContact CD1-CB 4.45Å; I299-A430 HydrophobicContact CD1-CB 3.93Å; I299-A430 HydrophobicContact CG1-CB 4.04Å; I299-A430 HydrophobicContact CG2-CB 4.37Å
300	E	93.8	Very high	87.2	Confident	72 Å²	72	75.5 Å²	75.5	34%	0.336	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148.2	-171.2	-166.3	-177.5	178	0	0	111.4	I317 Q318	E300-I317 WeakPolarHBondContact O-CA 3.26Å; E300-Q318 HydrophobicContact CB-CB 3.98Å; E300-Q318 PolarHBondContact N-O 2.89Å; E300-Q318 PolarHBondContact O-N 2.8Å
301	I	94.6	Very high	86.1	Confident	8 Å²	8	69.4 Å²	69.4	4%	0.041	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	111.7	168.7	-56.8	-178.5	0	0	0	109.1	Q285 L288 R289 I298 I303 F316 I317	Q285-I301 HydrophobicContact CG-CB 3.64Å; Q285-I301 HydrophobicContact CG-CD1 4.23Å; Q285-I301 HydrophobicContact CG-CG1 4.44Å; Q285-I301 HydrophobicContact CG-CG2 3.71Å; Q285-I301 PolarHBondContact NE2-O 3.47Å; L288-I301 HydrophobicContact CB-CD1 4.16Å; L288-I301 HydrophobicContact CB-CG2 4.3Å; L288-I301 HydrophobicContact CD1-CG2 3.82Å; R289-I301 HydrophobicContact CB-CD1 3.76Å; I298-I301 HydrophobicContact CD1-CD1 4.4Å; I298-I301 HydrophobicContact CG2-CD1 4.03Å; I298-I301 HydrophobicContact CG2-CG1 3.67Å; I301-I303 HydrophobicContact CG2-CG1 4.2Å; I301-F316 WeakPolarHBondContact CA-O 3.2Å; I301-I317 HydrophobicContact CG1-CG1 4.21Å; I301-I317 HydrophobicContact CG1-CG2 4.27Å; I301-I317 HydrophobicContact CG2-CG1 4.24Å
302	D	92.6	Very high	85.4	Confident	33 Å²	33	69.5 Å²	69.5	18%	0.176	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.5	179.6	168.7	12.3	0	0	0	108.8	K304 A315 F316	D302-K304 WeakPolarHBondContact OD1-CE 3.44Å; D302-K304 WeakPolarHBondContact OD1-CG 3.36Å; D302-K304 IonicContact OD1-NZ 2.67Å; D302-K304 PolarHBondContact OD1-NZ 3.18Å; D302-K304 WeakPolarHBondContact OD2-CE 3.37Å; D302-K304 IonicContact OD2-NZ 2.62Å; D302-K304 PolarHBondContact OD2-NZ 2.73Å; D302-A315 CarbonylContact O-C 3.47Å; D302-A315 WeakPolarHBondContact O-CA 3.49Å; D302-F316 HydrophobicContact CB-CB 4.46Å; D302-F316 PolarHBondContact N-O 2.87Å; D302-F316 PolarHBondContact O-N 3.25Å
303	I	92.6	Very high	85.1	Confident	57 Å²	57	69.6 Å²	69.6	29%	0.292	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.1	-177.8	-54.2	179.1	0	0	0	109.1	I283 Q285 L288 I301 A315	I283-I303 HydrophobicContact CG2-CG2 4.3Å; Q285-I303 HydrophobicContact CB-CD1 4.42Å; L288-I303 HydrophobicContact CD1-CD1 3.77Å; L288-I303 HydrophobicContact CD1-CG1 3.87Å; I301-I303 HydrophobicContact CG2-CG1 4.2Å; I303-A315 HydrophobicContact CG1-CB 4.16Å
304	K	89.3	Confident	85	Confident	70 Å²	70	63.5 Å²	63.5	30%	0.304	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131	-177.9	-57.4	-162.3	-167.4	-63.8	0	111.7	D302 S313 Y314 F316	D302-K304 WeakPolarHBondContact OD1-CE 3.44Å; D302-K304 WeakPolarHBondContact OD1-CG 3.36Å; D302-K304 IonicContact OD1-NZ 2.67Å; D302-K304 PolarHBondContact OD1-NZ 3.18Å; D302-K304 WeakPolarHBondContact OD2-CE 3.37Å; D302-K304 IonicContact OD2-NZ 2.62Å; D302-K304 PolarHBondContact OD2-NZ 2.73Å; K304-S313 WeakPolarHBondContact O-CA 3.27Å; K304-S313 WeakPolarHBondContact O-CB 3.08Å; K304-Y314 HydrophobicContact CB-CD1 4.12Å; K304-Y314 HydrophobicContact CB-CD2 4.32Å; K304-Y314 HydrophobicContact CB-CE1 3.6Å; K304-Y314 HydrophobicContact CB-CE2 3.85Å; K304-Y314 HydrophobicContact CB-CG 4.46Å; K304-Y314 VanDerWaalsContact CB-CZ 3.46Å; K304-Y314 HydrophobicContact CD-CE2 4.06Å; K304-Y314 HydrophobicContact CG-CE2 4.3Å; K304-Y314 PolarHBondContact N-O 3.09Å; K304-Y314 VanDerWaalsContact O-CD1 3.32Å; K304-Y314 WeakPolarHBondContact O-CD1 3.45Å; K304-Y314 PolarHBondContact O-N 2.86Å; K304-Y314 VanDerWaalsContact O-O 3.11Å; K304-F316 HydrophobicContact CD-CE2 4.25Å
305	I	83.6	Confident	85	Confident	120 Å²	120	60.1 Å²	60.1	62%	0.615	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.6	177.3	-57.7	174.2	0	0	0	108.4	A307	I305-A307 PolarHBondContact O-N 3.35Å
306	Q	73.8	Confident	85.1	Confident	71 Å²	71	61.1 Å²	61.1	33%	0.332	34%	0.34	S	S	.	.			trans	-82.2	105.9	177.8	-63	-165.1	26	0	0	111	N308 Q309 T312 Y314	Q306-N308 PolarHBondContact O-N 2.91Å; Q306-Q309 HydrophobicContact CB-CB 4.04Å; Q306-Q309 CarbonylContact O-C 3.59Å; Q306-Q309 PolarHBondContact O-N 3.23Å; Q306-Q309 VanDerWaalsContact O-N 3.1Å; Q306-T312 PolarHBondContact N-O 2.8Å; Q306-Y314 HydrophobicContact CG-CD1 3.7Å; Q306-Y314 HydrophobicContact CG-CE1 3.72Å
307	A	72.4	Confident	85.2	Confident	97 Å²	97	60.4 Å²	60.4	80%	0.802	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-31.4	172.8	0	0	0	0	0	112.8	I305	I305-A307 PolarHBondContact O-N 3.35Å
308	N	67.6	Low	85.3	Confident	148 Å²	148	56.4 Å²	56.4	79%	0.791	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-10.3	-179.2	-61.5	-4.4	0	0	0	114.1	Q306	Q306-N308 PolarHBondContact O-N 2.91Å
309	Q	68.4	Low	85.3	Confident	115 Å²	115	55.1 Å²	55.1	54%	0.537	31%	0.308	S	S	.	.	S	Bend	trans	-143.9	71.9	-176.1	-71.7	-64.6	-4.9	0	0	110.5	Q306 G311 T312	Q306-Q309 HydrophobicContact CB-CB 4.04Å; Q306-Q309 CarbonylContact O-C 3.59Å; Q306-Q309 PolarHBondContact O-N 3.23Å; Q306-Q309 VanDerWaalsContact O-N 3.1Å; Q309-G311 PolarHBondContact O-N 3.45Å; Q309-T312 VanDerWaalsContact CB-OG1 3.28Å; Q309-T312 WeakPolarHBondContact CB-OG1 3.28Å; Q309-T312 PolarHBondContact O-N 3.02Å; Q309-T312 VanDerWaalsContact O-N 3.07Å; Q309-T312 PolarHBondContact O-OG1 3.35Å
310	P	65.4	Low	85.3	Confident	118 Å²	118	54.3 Å²	54.3	77%	0.766	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	134.3	-177.1	23.8	-34.2	0	0	0	111.7
311	G	69.2	Low	85.3	Confident	50 Å²	50	52 Å²	52	52%	0.515	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	-17.6	-173.3	0	0	0	0	0	114.7	S280 Q309	S280-G311 PolarHBondContact N-O 2.92Å; S280-G311 PolarHBondContact OG-O 2.88Å; Q309-G311 PolarHBondContact O-N 3.45Å
312	T	77	Confident	85.4	Confident	48 Å²	48	51.8 Å²	51.8	29%	0.294	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.4	171.6	70.1	0	0	0	0	112.4	S280 Q306 Q309	S280-T312 WeakPolarHBondContact OG-CA 3.45Å; S280-T312 PolarHBondContact OG-N 3.05Å; S280-T312 PolarHBondContact OG-O 3.39Å; Q306-T312 PolarHBondContact N-O 2.8Å; Q309-T312 VanDerWaalsContact CB-OG1 3.28Å; Q309-T312 WeakPolarHBondContact CB-OG1 3.28Å; Q309-T312 PolarHBondContact O-N 3.02Å; Q309-T312 VanDerWaalsContact O-N 3.07Å; Q309-T312 PolarHBondContact O-OG1 3.35Å
313	S	87.2	Confident	85.4	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.014	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	167.8	170.3	58.8	0	0	0	0	110.4	L278 S280 K304	L278-S313 WeakPolarHBondContact CB-O 3.47Å; L278-S313 VanDerWaalsContact CB-OG 3.28Å; L278-S313 WeakPolarHBondContact CB-OG 3.5Å; L278-S313 PolarHBondContact N-O 3.06Å; L278-S313 PolarHBondContact O-N 3.39Å; L278-S313 PolarHBondContact O-OG 2.82Å; S280-S313 PolarHBondContact OG-N 2.74Å; K304-S313 WeakPolarHBondContact O-CA 3.27Å; K304-S313 WeakPolarHBondContact O-CB 3.08Å
314	Y	91.8	Very high	85.5	Confident	58 Å²	58	51.1 Å²	51.1	23%	0.227	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	158.6	173.8	63.1	-74.6	0	0	0	109.2	F274 V275 K304 Q306 F316	F274-Y314 HydrophobicContact CD2-CD2 4.11Å; F274-Y314 AromaticContact CE2-CD2 3.62Å; F274-Y314 HydrophobicContact CE2-CD2 3.62Å; F274-Y314 AromaticContact CE2-CG 3.95Å; F274-Y314 HydrophobicContact CE2-CG 3.95Å; V275-Y314 CarbonylContact O-C 3.28Å; V275-Y314 WeakPolarHBondContact O-CA 3.45Å; K304-Y314 HydrophobicContact CB-CD1 4.12Å; K304-Y314 HydrophobicContact CB-CD2 4.32Å; K304-Y314 HydrophobicContact CB-CE1 3.6Å; K304-Y314 HydrophobicContact CB-CE2 3.85Å; K304-Y314 HydrophobicContact CB-CG 4.46Å; K304-Y314 VanDerWaalsContact CB-CZ 3.46Å; K304-Y314 HydrophobicContact CD-CE2 4.06Å; K304-Y314 HydrophobicContact CG-CE2 4.3Å; K304-Y314 PolarHBondContact N-O 3.09Å; K304-Y314 VanDerWaalsContact O-CD1 3.32Å; K304-Y314 WeakPolarHBondContact O-CD1 3.45Å; K304-Y314 PolarHBondContact O-N 2.86Å; K304-Y314 VanDerWaalsContact O-O 3.11Å; Q306-Y314 HydrophobicContact CG-CD1 3.7Å; Q306-Y314 HydrophobicContact CG-CE1 3.72Å; Y314-F316 HydrophobicContact CD2-CE2 4.16Å; Y314-F316 HydrophobicContact CD2-CZ 4.14Å; Y314-F316 AromaticContact CE2-CE2 3.66Å; Y314-F316 HydrophobicContact CE2-CE2 3.66Å; Y314-F316 AromaticContact CE2-CZ 3.8Å; Y314-F316 HydrophobicContact CE2-CZ 3.8Å
315	A	94.2	Very high	85.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	155.1	176.2	0	0	0	0	0	111.6	V275 L278 L288 D302 I303	V275-A315 HydrophobicContact CB-CB 4.4Å; V275-A315 PolarHBondContact N-O 2.93Å; V275-A315 PolarHBondContact O-N 2.84Å; L278-A315 HydrophobicContact CD1-CB 3.65Å; L288-A315 HydrophobicContact CD1-CB 3.56Å; D302-A315 CarbonylContact O-C 3.47Å; D302-A315 WeakPolarHBondContact O-CA 3.49Å; I303-A315 HydrophobicContact CG1-CB 4.16Å
316	F	95.4	Very high	86.3	Confident	47 Å²	47	43.6 Å²	43.6	21%	0.206	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.9	164.5	-63.9	-63.6	0	0	0	108.5	T272 L273 F274 I301 D302 K304 Y314	T272-F316 HydrophobicContact CG2-CB 3.81Å; T272-F316 HydrophobicContact CG2-CD1 3.96Å; T272-F316 HydrophobicContact CG2-CG 4.22Å; L273-F316 CarbonylContact O-C 3.59Å; L273-F316 WeakPolarHBondContact O-CA 3.44Å; F274-F316 HydrophobicContact CB-CD1 4.34Å; F274-F316 HydrophobicContact CB-CE1 4.24Å; F274-F316 HydrophobicContact CD2-CD1 4.34Å; F274-F316 AromaticContact CD2-CE1 3.76Å; F274-F316 HydrophobicContact CD2-CE1 3.76Å; F274-F316 HydrophobicContact CD2-CZ 4.37Å; F274-F316 HydrophobicContact CG-CE1 4.5Å; I301-F316 WeakPolarHBondContact CA-O 3.2Å; D302-F316 HydrophobicContact CB-CB 4.46Å; D302-F316 PolarHBondContact N-O 2.87Å; D302-F316 PolarHBondContact O-N 3.25Å; K304-F316 HydrophobicContact CD-CE2 4.25Å; Y314-F316 HydrophobicContact CD2-CE2 4.16Å; Y314-F316 HydrophobicContact CD2-CZ 4.14Å; Y314-F316 AromaticContact CE2-CE2 3.66Å; Y314-F316 HydrophobicContact CE2-CE2 3.66Å; Y314-F316 AromaticContact CE2-CZ 3.8Å; Y314-F316 HydrophobicContact CE2-CZ 3.8Å
317	I	96	Very high	87.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	111.7	176.9	-59.3	-179.2	0	0	0	107.2	L273 V275 L288 F292 I298 E300 I301 Y319	L273-I317 HydrophobicContact CB-CB 4.35Å; L273-I317 PolarHBondContact N-O 3.3Å; L273-I317 PolarHBondContact O-N 2.86Å; V275-I317 HydrophobicContact CG2-CD1 3.81Å; V275-I317 HydrophobicContact CG2-CG1 4.2Å; L288-I317 HydrophobicContact CB-CD1 4.19Å; F292-I317 HydrophobicContact CB-CD1 3.83Å; F292-I317 HydrophobicContact CD1-CD1 4.31Å; F292-I317 HydrophobicContact CD2-CD1 3.33Å; F292-I317 HydrophobicContact CE2-CD1 3.96Å; F292-I317 HydrophobicContact CG-CD1 3.55Å; I298-I317 HydrophobicContact CD1-CG2 3.98Å; I298-I317 HydrophobicContact CG1-CG2 3.94Å; I298-I317 HydrophobicContact CG2-CG2 3.93Å; E300-I317 WeakPolarHBondContact O-CA 3.26Å; I301-I317 HydrophobicContact CG1-CG1 4.21Å; I301-I317 HydrophobicContact CG1-CG2 4.27Å; I301-I317 HydrophobicContact CG2-CG1 4.24Å; I317-Y319 HydrophobicContact CG2-CD2 4.33Å; I317-Y319 HydrophobicContact CG2-CE2 3.88Å
318	Q	96.5	Very high	88.2	Confident	16 Å²	16	41.7 Å²	41.7	8%	0.075	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.2	177	-168.7	173.5	99.9	0	0	110.3	K271 I299 E300	K271-Q318 HydrophobicContact CB-CG 4.29Å; K271-Q318 WeakPolarHBondContact O-CA 3.32Å; I299-Q318 PolarHBondContact N-O 3.35Å; E300-Q318 HydrophobicContact CB-CB 3.98Å; E300-Q318 PolarHBondContact N-O 2.89Å; E300-Q318 PolarHBondContact O-N 2.8Å
319	Y	96.8	Very high	89.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	166.3	174.9	-69.1	-88.2	0	0	0	111.9	K271 L273 F292 E297 I298 I317 D321 V325	K271-Y319 WeakPolarHBondContact CB-O 3.46Å; K271-Y319 PolarHBondContact O-N 2.83Å; L273-Y319 HydrophobicContact CB-CD2 4.46Å; L273-Y319 HydrophobicContact CB-CE2 3.93Å; L273-Y319 HydrophobicContact CD2-CE2 4.1Å; F292-Y319 WeakPolarHBondContact CB-OH 3.28Å; F292-Y319 PolarHBondContact O-OH 3.49Å; E297-Y319 CarbonylContact O-C 3.55Å; E297-Y319 VanDerWaalsContact O-CA 3.31Å; E297-Y319 WeakPolarHBondContact O-CA 3.46Å; I298-Y319 HydrophobicContact CD1-CE1 4.42Å; I298-Y319 HydrophobicContact CG1-CD1 3.94Å; I298-Y319 HydrophobicContact CG1-CE1 3.63Å; I317-Y319 HydrophobicContact CG2-CD2 4.33Å; I317-Y319 HydrophobicContact CG2-CE2 3.88Å; Y319-D321 PolarHBondContact O-N 2.92Å; Y319-V325 HydrophobicContact CD2-CG2 3.69Å; Y319-V325 HydrophobicContact CE2-CG2 4.32Å
320	G	93.9	Very high	90.3	Very high	10 Å²	10	36 Å²	36	10%	0.103	19%	0.19	C	C	.	.	S	Bend	trans	-67.1	-7.9	169.5	0	0	0	0	0	115.9	E297 R390	E297-G320 PolarHBondContact O-N 3.19Å; G320-R390 PolarHBondContact O-NH1 3.47Å
321	D	94.3	Very high	91.4	Very high	25 Å²	25	34.9 Å²	34.9	13%	0.134	18%	0.175	C	C	.	.	S	Bend	trans	-162.3	166.9	172.6	48.2	54.5	0	0	0	114.4	Y319 K323 S324 W356 R390	Y319-D321 PolarHBondContact O-N 2.92Å; D321-K323 VanDerWaalsContact C-N 3.34Å; D321-S324 WeakPolarHBondContact OD1-CB 3.45Å; D321-S324 PolarHBondContact OD1-N 2.79Å; D321-S324 PolarHBondContact OD1-OG 3.29Å; D321-W356 HydrophobicContact CB-CH2 4.13Å; D321-W356 HydrophobicContact CB-CZ2 4.09Å; D321-R390 VanDerWaalsContact CB-NH2 3.32Å; D321-R390 IonicContact OD2-CZ 2.68Å; D321-R390 IonicContact OD2-NH1 3.22Å; D321-R390 PolarHBondContact OD2-NH1 2.86Å; D321-R390 IonicContact OD2-NH2 2.67Å; D321-R390 PolarHBondContact OD2-NH2 2.82Å
322	I	94.9	Very high	92.1	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-70.3	-31.5	176.9	-51.1	-168.2	0	0	0	111.1	E264 A269 K271 S324 V325 V326 F346 W356 Q419	E264-I322 HydrophobicContact CB-CB 4.27Å; E264-I322 HydrophobicContact CB-CG2 3.83Å; E264-I322 HydrophobicContact CG-CG2 4.34Å; A269-I322 HydrophobicContact CB-CG2 3.81Å; K271-I322 HydrophobicContact CG-CG1 4.03Å; I322-S324 VanDerWaalsContact C-N 3.27Å; I322-S324 PolarHBondContact O-N 2.94Å; I322-V325 WeakPolarHBondContact O-CA 3.18Å; I322-V325 WeakPolarHBondContact O-CB 3.45Å; I322-V325 PolarHBondContact O-N 3.5Å; I322-V326 HydrophobicContact CG2-CG2 4.41Å; I322-V326 PolarHBondContact O-N 2.85Å; I322-F346 HydrophobicContact CG2-CE1 4.46Å; I322-W356 HydrophobicContact CD1-CZ3 4.12Å; I322-W356 HydrophobicContact CG1-CH2 4.13Å; I322-W356 HydrophobicContact CG1-CZ3 3.91Å; I322-Q419 HydrophobicContact CD1-CB 4.14Å
323	K	93.9	Very high	92.2	Very high	74 Å²	74	41.8 Å²	41.8	32%	0.322	19%	0.19	S	C	.	.	H	α-helix	trans	-56.4	-41.3	177.9	-68.1	170.7	-179.3	170.3	0	111.8	E264 D321 V326 R327	E264-K323 HydrophobicContact CG-CG 3.84Å; E264-K323 WeakPolarHBondContact OE1-CG 3.38Å; D321-K323 VanDerWaalsContact C-N 3.34Å; K323-V326 PolarHBondContact O-N 3.39Å; K323-R327 PolarHBondContact O-N 3.2Å
324	S	95.1	Very high	92	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.014	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-36.8	175.5	-59.8	0	0	0	0	113.1	Y295 D321 I322 R327 A328	Y295-S324 WeakPolarHBondContact O-CA 3.33Å; Y295-S324 WeakPolarHBondContact O-CB 3.22Å; Y295-S324 PolarHBondContact O-OG 3.22Å; D321-S324 WeakPolarHBondContact OD1-CB 3.45Å; D321-S324 PolarHBondContact OD1-N 2.79Å; D321-S324 PolarHBondContact OD1-OG 3.29Å; I322-S324 VanDerWaalsContact C-N 3.27Å; I322-S324 PolarHBondContact O-N 2.94Å; S324-R327 PolarHBondContact OG-NH2 2.93Å; S324-A328 PolarHBondContact O-N 2.87Å
325	V	95.3	Very high	91.7	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.8	-44	173.5	-178	0	0	0	0	111	T270 K271 L273 Y319 I322 R327 A328 L329 F346	T270-V325 WeakPolarHBondContact O-CG2 3.37Å; K271-V325 WeakPolarHBondContact O-CG2 3.29Å; L273-V325 HydrophobicContact CB-CG1 4.16Å; L273-V325 HydrophobicContact CB-CG2 4.37Å; L273-V325 HydrophobicContact CD1-CG1 3.97Å; Y319-V325 HydrophobicContact CD2-CG2 3.69Å; Y319-V325 HydrophobicContact CE2-CG2 4.32Å; I322-V325 WeakPolarHBondContact O-CA 3.18Å; I322-V325 WeakPolarHBondContact O-CB 3.45Å; I322-V325 PolarHBondContact O-N 3.5Å; V325-R327 VanDerWaalsContact C-N 3.34Å; V325-R327 PolarHBondContact O-N 3Å; V325-A328 PolarHBondContact O-N 3.15Å; V325-L329 HydrophobicContact CG1-CD1 3.99Å; V325-L329 HydrophobicContact CG1-CG 4.34Å; V325-L329 VanDerWaalsContact O-CG 3.32Å; V325-L329 WeakPolarHBondContact O-CG 3.46Å; V325-L329 PolarHBondContact O-N 2.81Å; V325-F346 HydrophobicContact CB-CE1 4.44Å; V325-F346 HydrophobicContact CG1-CD1 3.67Å; V325-F346 HydrophobicContact CG1-CE1 3.78Å
326	V	93.4	Very high	91.3	Very high	32 Å²	32	50.7 Å²	50.7	19%	0.194	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-37.1	178.6	172.9	0	0	0	0	112.1	L262 E264 I322 K323 L329 K330 F346	L262-V326 WeakPolarHBondContact O-CG1 3.26Å; L262-V326 WeakPolarHBondContact O-CG2 3.19Å; E264-V326 HydrophobicContact CG-CG2 4.05Å; I322-V326 HydrophobicContact CG2-CG2 4.41Å; I322-V326 PolarHBondContact O-N 2.85Å; K323-V326 PolarHBondContact O-N 3.39Å; V326-L329 PolarHBondContact O-N 3.01Å; V326-K330 PolarHBondContact O-N 3.04Å; V326-F346 HydrophobicContact CG2-CE1 4.12Å; V326-F346 HydrophobicContact CG2-CZ 3.95Å
327	R	93.1	Very high	90.8	Very high	128 Å²	128	48.8 Å²	48.8	48%	0.483	23%	0.227	S	C	.	.	H	α-helix	trans	-60.2	-50.2	170.9	-72.3	-170.5	-67.8	-162.3	-5.9	112.1	Y295 K323 S324 V325 L329 K330 E331	Y295-R327 HydrophobicContact CD1-CB 4.16Å; Y295-R327 PolarHBondContact O-NE 3.28Å; Y295-R327 VanDerWaalsContact O-NE 3.16Å; Y295-R327 PolarHBondContact O-NH2 2.85Å; K323-R327 PolarHBondContact O-N 3.2Å; S324-R327 PolarHBondContact OG-NH2 2.93Å; V325-R327 VanDerWaalsContact C-N 3.34Å; V325-R327 PolarHBondContact O-N 3Å; R327-L329 VanDerWaalsContact C-N 3.27Å; R327-L329 PolarHBondContact O-N 3.38Å; R327-K330 PolarHBondContact O-N 3.44Å; R327-E331 PolarHBondContact O-N 3.08Å
328	A	93	Very high	90	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-35.7	178.5	0	0	0	0	0	112.8	L273 Y295 S324 V325 Q332 L344	L273-A328 HydrophobicContact CD1-CB 4.17Å; L273-A328 HydrophobicContact CD2-CB 3.8Å; Y295-A328 HydrophobicContact CD1-CB 4.15Å; Y295-A328 HydrophobicContact CD2-CB 3.69Å; Y295-A328 HydrophobicContact CE2-CB 4.2Å; Y295-A328 HydrophobicContact CG-CB 3.67Å; S324-A328 PolarHBondContact O-N 2.87Å; V325-A328 PolarHBondContact O-N 3.15Å; A328-Q332 PolarHBondContact O-N 3.03Å; A328-L344 WeakPolarHBondContact O-CD1 3.46Å
329	L	91.7	Very high	89.2	Confident	14 Å²	14	54.6 Å²	54.6	7%	0.073	27%	0.271	C	S	.	.	H	α-helix	trans	-68.9	-39.9	175.1	-70.2	171.2	0	0	0	112.6	L273 V325 V326 R327 E331 Q332 L344 G345 F346	L273-L329 HydrophobicContact CD1-CD2 4.01Å; L273-L329 HydrophobicContact CD1-CG 4.17Å; V325-L329 HydrophobicContact CG1-CD1 3.99Å; V325-L329 HydrophobicContact CG1-CG 4.34Å; V325-L329 VanDerWaalsContact O-CG 3.32Å; V325-L329 WeakPolarHBondContact O-CG 3.46Å; V325-L329 PolarHBondContact O-N 2.81Å; V326-L329 PolarHBondContact O-N 3.01Å; R327-L329 VanDerWaalsContact C-N 3.27Å; R327-L329 PolarHBondContact O-N 3.38Å; L329-E331 VanDerWaalsContact C-N 3.28Å; L329-E331 PolarHBondContact O-N 3.48Å; L329-Q332 WeakPolarHBondContact O-CB 3.29Å; L329-Q332 PolarHBondContact O-N 3.37Å; L329-L344 HydrophobicContact CD2-CB 3.84Å; L329-G345 VanDerWaalsContact CD2-CA 3.49Å; L329-F346 HydrophobicContact CD1-CD1 3.88Å; L329-F346 HydrophobicContact CD1-CD2 4.04Å; L329-F346 HydrophobicContact CD1-CE1 3.61Å; L329-F346 HydrophobicContact CD1-CE2 3.79Å; L329-F346 HydrophobicContact CD1-CG 4.09Å; L329-F346 HydrophobicContact CD1-CZ 3.57Å
330	K	89.1	Confident	88.5	Confident	130 Å²	130	59.2 Å²	59.2	57%	0.565	29%	0.291	S	S	*	.	H	α-helix	trans	-63.5	-35.5	178.4	-169.2	179.8	179.5	-172.4	0	112.2	E259 V326 R327 Q332	E259-K330 WeakPolarHBondContact OE1-CE 3.12Å; V326-K330 PolarHBondContact O-N 3.04Å; R327-K330 PolarHBondContact O-N 3.44Å; K330-Q332 VanDerWaalsContact C-N 3.31Å; K330-Q332 PolarHBondContact O-N 2.97Å
331	E	86.6	Confident	88.2	Confident	94 Å²	94	61.8 Å²	61.8	44%	0.439	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	6.4	-179.7	-70.8	173.7	-125.4	0	0	113.6	Y295 R327 L329 E333 T334 V335	Y295-E331 HydrophobicContact CE1-CB 4.04Å; Y295-E331 HydrophobicContact CE1-CG 4.36Å; R327-E331 PolarHBondContact O-N 3.08Å; L329-E331 VanDerWaalsContact C-N 3.28Å; L329-E331 PolarHBondContact O-N 3.48Å; E331-E333 VanDerWaalsContact C-N 3.32Å; E331-E333 PolarHBondContact O-N 2.75Å; E331-E333 VanDerWaalsContact O-N 3.08Å; E331-T334 WeakPolarHBondContact O-CB 3.49Å; E331-T334 PolarHBondContact O-N 2.72Å; E331-T334 PolarHBondContact O-OG1 3.38Å; E331-V335 WeakPolarHBondContact O-CG2 3.42Å; E331-V335 PolarHBondContact O-N 3.32Å
332	Q	83.9	Confident	88	Confident	61 Å²	61	61 Å²	61	29%	0.285	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-46	-44.7	-170.8	173.7	176.4	-53.9	0	0	114.8	A328 L329 K330 T334 V335 L344	A328-Q332 PolarHBondContact O-N 3.03Å; L329-Q332 WeakPolarHBondContact O-CB 3.29Å; L329-Q332 PolarHBondContact O-N 3.37Å; K330-Q332 VanDerWaalsContact C-N 3.31Å; K330-Q332 PolarHBondContact O-N 2.97Å; Q332-T334 PolarHBondContact O-N 2.9Å; Q332-V335 PolarHBondContact O-N 3.43Å; Q332-L344 HydrophobicContact CB-CB 4.41Å; Q332-L344 HydrophobicContact CB-CD1 4.05Å; Q332-L344 HydrophobicContact CB-CG 4.38Å; Q332-L344 HydrophobicContact CG-CB 4.01Å; Q332-L344 HydrophobicContact CG-CD1 4.24Å; Q332-L344 HydrophobicContact CG-CG 4.03Å; Q332-L344 PolarHBondContact OE1-O 3.44Å
333	E	79.9	Confident	87.7	Confident	183 Å²	183	64.9 Å²	64.9	86%	0.855	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-61.8	-28.2	-178.1	-59.1	-167.8	161.2	0	0	113.2	E331	E331-E333 VanDerWaalsContact C-N 3.32Å; E331-E333 PolarHBondContact O-N 2.75Å; E331-E333 VanDerWaalsContact O-N 3.08Å
334	T	82.2	Confident	87.7	Confident	100 Å²	100	61.8 Å²	61.8	61%	0.613	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-86.8	-20.6	-179.5	73.9	0	0	0	0	113	E331 Q332 R336	E331-T334 WeakPolarHBondContact O-CB 3.49Å; E331-T334 PolarHBondContact O-N 2.72Å; E331-T334 PolarHBondContact O-OG1 3.38Å; Q332-T334 PolarHBondContact O-N 2.9Å; T334-R336 PolarHBondContact O-N 2.58Å
335	V	86.2	Confident	87.5	Confident	6 Å²	6	62.5 Å²	62.5	4%	0.036	31%	0.314	C	S	.	.			trans	-75.9	119.9	-172.4	-172.6	0	0	0	0	111.1	T291 F292 Y295 E331 Q332 V342 L344	T291-V335 HydrophobicContact CG2-CG1 4.09Å; F292-V335 HydrophobicContact CE1-CG1 3.9Å; F292-V335 HydrophobicContact CZ-CG1 3.71Å; Y295-V335 HydrophobicContact CE2-CG2 4.49Å; Y295-V335 WeakPolarHBondContact OH-CG2 3.32Å; E331-V335 WeakPolarHBondContact O-CG2 3.42Å; E331-V335 PolarHBondContact O-N 3.32Å; Q332-V335 PolarHBondContact O-N 3.43Å; V335-V342 HydrophobicContact CB-CG2 4.02Å; V335-V342 HydrophobicContact CG1-CG2 3.72Å; V335-L344 HydrophobicContact CB-CD1 4.45Å; V335-L344 HydrophobicContact CG2-CD1 4.18Å
336	R	85.3	Confident	87.4	Confident	141 Å²	141	64.2 Å²	64.2	53%	0.532	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.3	177.2	-53.3	-175.9	78.5	97.9	-4	111	T334 G339 K340	T334-R336 PolarHBondContact O-N 2.58Å; R336-G339 VanDerWaalsContact CZ-O 3.3Å; R336-G339 PolarHBondContact NE-O 2.91Å; R336-G339 PolarHBondContact NH2-O 3.35Å; R336-K340 CarbonylContact C-O 3.56Å; R336-K340 WeakPolarHBondContact CA-O 3.49Å
337	V	84.8	Confident	87.4	Confident	7 Å²	7	62.8 Å²	62.8	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.6	-178	-179.7	0	0	0	0	107.4	L278 I283 E287 L288 T291 F292 G339 K340 V342	L278-V337 HydrophobicContact CD2-CB 4.17Å; L278-V337 HydrophobicContact CD2-CG1 3.88Å; L278-V337 HydrophobicContact CD2-CG2 4.44Å; I283-V337 HydrophobicContact CD1-CG1 3.39Å; E287-V337 HydrophobicContact CG-CG1 4.46Å; E287-V337 WeakPolarHBondContact OE1-CG1 3.5Å; L288-V337 HydrophobicContact CD2-CG1 4.28Å; T291-V337 HydrophobicContact CG2-CG2 4.24Å; F292-V337 HydrophobicContact CE2-CG2 4.12Å; V337-G339 PolarHBondContact O-N 2.91Å; V337-G339 VanDerWaalsContact O-N 3.1Å; V337-K340 PolarHBondContact N-O 3.43Å; V337-K340 PolarHBondContact O-N 3.45Å; V337-V342 HydrophobicContact CB-CG1 3.89Å; V337-V342 HydrophobicContact CG2-CG1 3.71Å; V337-V342 HydrophobicContact CG2-CG2 4.45Å
338	N	79.8	Confident	87.4	Confident	86 Å²	86	65.7 Å²	65.7	46%	0.46	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.1	39.8	-161.5	-75.2	-58.3	0	0	0	113.7	T282 E287 K340	T282-N338 PolarHBondContact OG1-ND2 3.49Å; E287-N338 PolarHBondContact OE1-N 3.47Å; E287-N338 PolarHBondContact OE1-ND2 2.94Å; E287-N338 PolarHBondContact OE1-OD1 3.32Å; E287-N338 PolarHBondContact OE2-ND2 3.09Å; N338-K340 PolarHBondContact O-N 3.4Å; N338-K340 VanDerWaalsContact O-N 3.14Å
339	G	79.9	Confident	87.3	Confident	51 Å²	51	66.3 Å²	66.3	53%	0.526	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	-4.9	-178.3	0	0	0	0	0	116.2	R336 V337	R336-G339 VanDerWaalsContact CZ-O 3.3Å; R336-G339 PolarHBondContact NE-O 2.91Å; R336-G339 PolarHBondContact NH2-O 3.35Å; V337-G339 PolarHBondContact O-N 2.91Å; V337-G339 VanDerWaalsContact O-N 3.1Å
340	K	83.1	Confident	87.3	Confident	98 Å²	98	72.1 Å²	72.1	43%	0.426	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	142.9	174.1	-65.6	-177.5	176.6	-178.1	0	111	C279 R336 V337 N338	C279-K340 HydrophobicContact CB-CD 4.38Å; C279-K340 PolarHBondContact SG-NZ 2.91Å; R336-K340 CarbonylContact C-O 3.56Å; R336-K340 WeakPolarHBondContact CA-O 3.49Å; V337-K340 PolarHBondContact N-O 3.43Å; V337-K340 PolarHBondContact O-N 3.45Å; N338-K340 PolarHBondContact O-N 3.4Å; N338-K340 VanDerWaalsContact O-N 3.14Å
341	P	86.1	Confident	87.5	Confident	64 Å²	64	69 Å²	69	42%	0.416	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	143.5	171.6	32.3	-33.7	0	0	0	110.3	N277	N277-P341 PolarHBondContact ND2-O 3.14Å
342	V	90.2	Very high	87.9	Confident	9 Å²	9	65.9 Å²	65.9	6%	0.055	34%	0.341	C	S	.	.			trans	-109.3	140.6	-179.4	-70.5	0	0	0	0	111.5	V275 G276 L278 F292 V335 V337 L344	V275-V342 HydrophobicContact CG1-CB 3.95Å; V275-V342 HydrophobicContact CG1-CG1 3.98Å; V275-V342 HydrophobicContact CG1-CG2 4.29Å; G276-V342 WeakPolarHBondContact O-CA 3.34Å; G276-V342 WeakPolarHBondContact O-CB 3.35Å; L278-V342 HydrophobicContact CD2-CG1 3.77Å; F292-V342 HydrophobicContact CZ-CG2 4.39Å; V335-V342 HydrophobicContact CB-CG2 4.02Å; V335-V342 HydrophobicContact CG1-CG2 3.72Å; V337-V342 HydrophobicContact CB-CG1 3.89Å; V337-V342 HydrophobicContact CG2-CG1 3.71Å; V337-V342 HydrophobicContact CG2-CG2 4.45Å; V342-L344 HydrophobicContact CB-CD2 4.28Å; V342-L344 HydrophobicContact CG2-CD2 3.68Å; V342-L344 HydrophobicContact CG2-CG 4.11Å; V342-L344 PolarHBondContact O-N 2.93Å
343	K	89.6	Confident	88.5	Confident	82 Å²	82	65.7 Å²	65.7	36%	0.357	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	104.8	171.4	-172.8	174.6	-174.4	177	0	107.6	E251 G276	E251-K343 PolarHBondContact O-NZ 2.84Å; E251-K343 IonicContact OE2-NZ 3.06Å; E251-K343 PolarHBondContact OE2-NZ 3.25Å; G276-K343 PolarHBondContact N-O 2.9Å; G276-K343 PolarHBondContact O-N 3.37Å; G276-K343 VanDerWaalsContact O-N 3.13Å
344	L	93.1	Very high	89.2	Confident	9 Å²	9	57.1 Å²	57.1	5%	0.047	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	166	175.5	-54.8	-176.1	0	0	0	111	L273 F274 V275 F292 A328 L329 Q332 V335 V342	L273-L344 HydrophobicContact CD1-CB 4.22Å; L273-L344 HydrophobicContact CD2-CD2 4.41Å; F274-L344 WeakPolarHBondContact O-CA 3.42Å; V275-L344 HydrophobicContact CB-CD2 4.17Å; V275-L344 HydrophobicContact CG1-CD2 3.89Å; V275-L344 HydrophobicContact CG2-CD2 3.9Å; F292-L344 HydrophobicContact CE1-CD1 4.18Å; F292-L344 HydrophobicContact CE1-CD2 3.94Å; F292-L344 HydrophobicContact CZ-CD2 3.86Å; A328-L344 WeakPolarHBondContact O-CD1 3.46Å; L329-L344 HydrophobicContact CD2-CB 3.84Å; Q332-L344 HydrophobicContact CB-CB 4.41Å; Q332-L344 HydrophobicContact CB-CD1 4.05Å; Q332-L344 HydrophobicContact CB-CG 4.38Å; Q332-L344 HydrophobicContact CG-CB 4.01Å; Q332-L344 HydrophobicContact CG-CD1 4.24Å; Q332-L344 HydrophobicContact CG-CG 4.03Å; Q332-L344 PolarHBondContact OE1-O 3.44Å; V335-L344 HydrophobicContact CB-CD1 4.45Å; V335-L344 HydrophobicContact CG2-CD1 4.18Å; V342-L344 HydrophobicContact CB-CD2 4.28Å; V342-L344 HydrophobicContact CG2-CD2 3.68Å; V342-L344 HydrophobicContact CG2-CG 4.11Å; V342-L344 PolarHBondContact O-N 2.93Å
345	G	91.5	Very high	89.9	Confident	18 Å²	18	52.3 Å²	52.3	19%	0.186	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	169.3	175.4	0	0	0	0	0	112.3	F274 L329 G347	F274-G345 PolarHBondContact N-O 3.39Å; F274-G345 PolarHBondContact O-N 3.46Å; F274-G345 VanDerWaalsContact O-N 3.14Å; L329-G345 VanDerWaalsContact CD2-CA 3.49Å; G345-G347 PolarHBondContact O-N 2.81Å
346	F	93.5	Very high	90.4	Very high	35 Å²	35	52.2 Å²	52.2	15%	0.154	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	115.5	167.4	-69.5	-66.6	0	0	0	110.1	L262 H266 K268 A269 I322 V325 V326 L329	L262-F346 HydrophobicContact CB-CE2 4.15Å; L262-F346 HydrophobicContact CD2-CE2 4.05Å; H266-F346 AromaticContact ND1-CE2 3.93Å; K268-F346 HydrophobicContact CB-CB 4.49Å; K268-F346 HydrophobicContact CB-CD2 4.39Å; K268-F346 VanDerWaalsContact O-CB 3.29Å; K268-F346 WeakPolarHBondContact O-CB 3.5Å; A269-F346 HydrophobicContact CB-CD1 4.26Å; A269-F346 HydrophobicContact CB-CE1 3.76Å; A269-F346 HydrophobicContact CB-CE2 4.34Å; A269-F346 HydrophobicContact CB-CZ 3.8Å; I322-F346 HydrophobicContact CG2-CE1 4.46Å; V325-F346 HydrophobicContact CB-CE1 4.44Å; V325-F346 HydrophobicContact CG1-CD1 3.67Å; V325-F346 HydrophobicContact CG1-CE1 3.78Å; V326-F346 HydrophobicContact CG2-CE1 4.12Å; V326-F346 HydrophobicContact CG2-CZ 3.95Å; L329-F346 HydrophobicContact CD1-CD1 3.88Å; L329-F346 HydrophobicContact CD1-CD2 4.04Å; L329-F346 HydrophobicContact CD1-CE1 3.61Å; L329-F346 HydrophobicContact CD1-CE2 3.79Å; L329-F346 HydrophobicContact CD1-CG 4.09Å; L329-F346 HydrophobicContact CD1-CZ 3.57Å
347	G	93.4	Very high	90.9	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.031	25%	0.247	C	C	.	.			trans	-75.2	145.6	172.2	0	0	0	0	0	111.4	T270 T272 G345 S349	T270-G347 WeakPolarHBondContact CB-O 3.13Å; T270-G347 WeakPolarHBondContact CG2-O 3.41Å; T270-G347 PolarHBondContact OG1-O 3.25Å; T272-G347 WeakPolarHBondContact O-CA 3.39Å; T272-G347 PolarHBondContact O-N 3.38Å; G345-G347 PolarHBondContact O-N 2.81Å; G347-S349 PolarHBondContact O-N 2.81Å
348	K	91.7	Very high	91.3	Very high	188 Å²	188	45.4 Å²	45.4	82%	0.817	25%	0.246	S	C	*	.			trans	-75.4	112.6	174.6	-65	-179	-178.2	178.6	0	109.2
349	S	91.5	Very high	91.9	Very high	14 Å²	14	43.5 Å²	43.5	10%	0.098	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-59.6	138.7	166.8	-58.1	0	0	0	0	110.1	T270 T272 G347 D421	T270-S349 WeakPolarHBondContact CB-OG 3.21Å; T272-S349 PolarHBondContact OG1-OG 3.14Å; G347-S349 PolarHBondContact O-N 2.81Å; S349-D421 WeakPolarHBondContact CB-OD1 3.27Å; S349-D421 VanDerWaalsContact OG-CG 3.27Å; S349-D421 PolarHBondContact OG-OD1 2.76Å; S349-D421 PolarHBondContact OG-OD2 2.91Å
350	Q	91	Very high	92.5	Very high	135 Å²	135	41.1 Å²	41.1	63%	0.631	21%	0.211	S	C	*	.	P	Polyproline II helix	trans	-70.3	133.5	174.3	-57.8	-170.3	47.7	0	0	109.3	Y422	Q350-Y422 WeakPolarHBondContact O-CB 3.12Å
351	P	94.4	Very high	92.8	Very high	66 Å²	66	37 Å²	37	43%	0.429	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-63.6	135.4	176.2	-22.4	34	0	0	0	112	V398 Q402 Y422	P351-V398 HydrophobicContact CB-CG1 3.93Å; P351-Q402 HydrophobicContact CB-CG 3.92Å; P351-Y422 HydrophobicContact CB-CD1 4.48Å; P351-Y422 HydrophobicContact CB-CE1 4.17Å; P351-Y422 HydrophobicContact CB-CE2 4.4Å; P351-Y422 HydrophobicContact CG-CE2 4.45Å
352	T	95.3	Very high	92.9	Very high	28 Å²	28	37.2 Å²	37.2	17%	0.172	20%	0.195	C	C	.	.			trans	-134.6	166.9	170.9	65.8	0	0	0	0	109.5	V354 A401 A423	T352-V354 PolarHBondContact O-N 2.81Å; T352-V354 PolarHBondContact OG1-N 3.16Å; T352-V354 PolarHBondContact OG1-O 2.76Å; T352-V354 VanDerWaalsContact OG1-O 3.09Å; T352-A401 WeakPolarHBondContact O-CB 3.21Å; T352-A423 PolarHBondContact OG1-O 3.02Å
353	N	95.2	Very high	92.9	Very high	57 Å²	57	41.3 Å²	41.3	31%	0.305	22%	0.221	S	C	.	.	S	Bend	trans	-73.6	1.5	173.3	69	-47.9	0	0	0	113.4	F395 V398	N353-F395 WeakPolarHBondContact CB-O 3.49Å; N353-F395 PolarHBondContact ND2-O 3.18Å; N353-F395 PolarHBondContact O-N 2.6Å; N353-V398 HydrophobicContact CB-CG2 4.15Å
354	V	95.9	Very high	92.9	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	122.9	-177.7	-169.6	0	0	0	0	110.2	T352 L392 L393 Y394 A423 Q428	T352-V354 PolarHBondContact O-N 2.81Å; T352-V354 PolarHBondContact OG1-N 3.16Å; T352-V354 PolarHBondContact OG1-O 2.76Å; T352-V354 VanDerWaalsContact OG1-O 3.09Å; V354-L392 HydrophobicContact CG1-CB 4.3Å; V354-L392 HydrophobicContact CG1-CD2 4.42Å; V354-L393 CarbonylContact C-O 3.55Å; V354-L393 VanDerWaalsContact CA-O 3.31Å; V354-L393 WeakPolarHBondContact CA-O 3.17Å; V354-Y394 HydrophobicContact CB-CD1 4.31Å; V354-Y394 HydrophobicContact CB-CE1 4.39Å; V354-Y394 HydrophobicContact CG1-CD1 3.94Å; V354-Y394 HydrophobicContact CG1-CD2 4.22Å; V354-Y394 HydrophobicContact CG1-CE1 3.83Å; V354-Y394 HydrophobicContact CG1-CE2 4.12Å; V354-Y394 HydrophobicContact CG1-CG 4.12Å; V354-Y394 HydrophobicContact CG2-CD1 3.38Å; V354-Y394 HydrophobicContact CG2-CE1 3.6Å; V354-Y394 HydrophobicContact CG2-CG 4.14Å; V354-A423 HydrophobicContact CB-CB 4.17Å; V354-A423 HydrophobicContact CG1-CB 3.97Å; V354-A423 PolarHBondContact O-N 3.28Å; V354-Q428 HydrophobicContact CG1-CG 4.19Å
355	V	96.4	Very high	92.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.4	-177.4	178.3	0	0	0	0	110.1	L357 L392 L393 F395 A401 V405 I420	V355-L357 HydrophobicContact CG1-CD2 4.22Å; V355-L392 CarbonylContact O-C 3.47Å; V355-L392 WeakPolarHBondContact O-CA 3.45Å; V355-L393 HydrophobicContact CB-CB 4.33Å; V355-L393 PolarHBondContact N-O 2.7Å; V355-L393 PolarHBondContact O-N 2.85Å; V355-F395 HydrophobicContact CB-CE2 4.19Å; V355-F395 HydrophobicContact CG2-CD2 4.06Å; V355-F395 HydrophobicContact CG2-CE2 3.68Å; V355-A401 HydrophobicContact CG2-CB 3.83Å; V355-V405 HydrophobicContact CB-CG2 4.35Å; V355-V405 HydrophobicContact CG1-CG2 3.79Å; V355-V405 HydrophobicContact CG2-CG2 3.66Å; V355-I420 HydrophobicContact CG1-CD1 3.79Å; V355-I420 HydrophobicContact CG1-CG1 3.68Å
356	W	96.5	Very high	92.9	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	137.9	174.7	171.1	93.1	0	0	0	110.7	K271 D321 I322 D358 A391 L392 Q419 I420 D421 A423	K271-W356 HydrophobicContact CD-CD2 3.75Å; K271-W356 HydrophobicContact CD-CE3 3.88Å; K271-W356 HydrophobicContact CD-CG 4.36Å; K271-W356 HydrophobicContact CD-CH2 3.92Å; K271-W356 HydrophobicContact CD-CZ2 3.78Å; K271-W356 HydrophobicContact CD-CZ3 3.97Å; K271-W356 HydrophobicContact CG-CE3 4.25Å; K271-W356 HydrophobicContact CG-CH2 4.07Å; K271-W356 HydrophobicContact CG-CZ2 4.41Å; K271-W356 HydrophobicContact CG-CZ3 3.99Å; D321-W356 HydrophobicContact CB-CH2 4.13Å; D321-W356 HydrophobicContact CB-CZ2 4.09Å; I322-W356 HydrophobicContact CD1-CZ3 4.12Å; I322-W356 HydrophobicContact CG1-CH2 4.13Å; I322-W356 HydrophobicContact CG1-CZ3 3.91Å; W356-D358 HydrophobicContact CH2-CB 3.32Å; W356-D358 HydrophobicContact CZ2-CB 3.46Å; W356-D358 VanDerWaalsContact CZ2-CB 3.46Å; W356-D358 HydrophobicContact CZ3-CB 3.94Å; W356-A391 WeakPolarHBondContact CA-O 3.34Å; W356-L392 HydrophobicContact CB-CD2 4.05Å; W356-L392 HydrophobicContact CG-CD2 4.49Å; W356-Q419 HydrophobicContact CZ3-CB 4.26Å; W356-I420 WeakPolarHBondContact O-CA 3.43Å; W356-D421 WeakPolarHBondContact CB-O 3.35Å; W356-D421 HydrophobicContact CE3-CB 4.08Å; W356-D421 HydrophobicContact CZ3-CB 4.49Å; W356-D421 PolarHBondContact N-O 3.19Å; W356-D421 PolarHBondContact O-N 3.28Å; W356-A423 HydrophobicContact CB-CB 4.26Å
357	L	95.1	Very high	92.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.7	176.1	-56.6	178.8	0	0	0	111.1	V355 L360 L369 F373 R390 A391 L393 V418 Q419 I420	V355-L357 HydrophobicContact CG1-CD2 4.22Å; L357-L360 HydrophobicContact CB-CD1 4.47Å; L357-L360 HydrophobicContact CB-CD2 4.19Å; L357-L360 HydrophobicContact CB-CG 4.48Å; L357-L360 HydrophobicContact CD1-CD2 4.26Å; L357-L369 HydrophobicContact CD1-CD2 3.93Å; L357-F373 HydrophobicContact CD1-CE2 3.75Å; L357-F373 HydrophobicContact CD1-CZ 3.71Å; L357-F373 HydrophobicContact CD2-CZ 4.01Å; L357-R390 CarbonylContact O-C 3.55Å; L357-R390 WeakPolarHBondContact O-CA 3.28Å; L357-R390 VanDerWaalsContact O-CB 3.31Å; L357-R390 WeakPolarHBondContact O-CB 3.43Å; L357-A391 HydrophobicContact CB-CB 4.47Å; L357-A391 PolarHBondContact N-O 2.93Å; L357-A391 PolarHBondContact O-N 3.14Å; L357-L393 HydrophobicContact CD1-CD1 3.86Å; L357-L393 HydrophobicContact CD1-CG 4.22Å; L357-L393 HydrophobicContact CG-CD1 4.46Å; L357-V418 HydrophobicContact CB-CG1 4.14Å; L357-V418 HydrophobicContact CD2-CG1 3.94Å; L357-V418 HydrophobicContact CG-CG1 4.49Å; L357-Q419 WeakPolarHBondContact CA-O 3.27Å; L357-I420 HydrophobicContact CD2-CB 3.89Å; L357-I420 HydrophobicContact CD2-CD1 3.74Å; L357-I420 HydrophobicContact CD2-CG1 3.68Å
358	D	94.1	Very high	92.8	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	162.1	171.5	-173.2	20.7	0	0	0	111.3	W356 R390 Q419	W356-D358 HydrophobicContact CH2-CB 3.32Å; W356-D358 HydrophobicContact CZ2-CB 3.46Å; W356-D358 VanDerWaalsContact CZ2-CB 3.46Å; W356-D358 HydrophobicContact CZ3-CB 3.94Å; D358-R390 HydrophobicContact CB-CG 3.83Å; D358-R390 WeakPolarHBondContact OD1-CG 3Å; D358-R390 IonicContact OD1-CZ 2.85Å; D358-R390 IonicContact OD1-NE 3.28Å; D358-R390 PolarHBondContact OD1-NE 3.44Å; D358-R390 IonicContact OD1-NH2 3.17Å; D358-R390 IonicContact OD2-CZ 2.69Å; D358-R390 VanDerWaalsContact OD2-CZ 3.28Å; D358-R390 IonicContact OD2-NE 3.81Å; D358-R390 PolarHBondContact OD2-NE 3.26Å; D358-R390 VanDerWaalsContact OD2-NE 3.16Å; D358-R390 IonicContact OD2-NH2 3.8Å; D358-R390 PolarHBondContact OD2-NH2 3.13Å; D358-Q419 HydrophobicContact CB-CB 4.18Å; D358-Q419 PolarHBondContact N-O 3.04Å; D358-Q419 PolarHBondContact O-N 3.25Å
359	N	92.1	Very high	92.9	Very high	47 Å²	47	39.6 Å²	39.6	25%	0.251	23%	0.226	S	C	.	.	S	Bend	trans	63.4	39.6	-173.1	-161.7	66.2	0	0	0	114	Y265 K417	Y265-N359 PolarHBondContact OH-ND2 3.12Å; Y265-N359 VanDerWaalsContact OH-ND2 3.15Å; N359-K417 PolarHBondContact ND2-O 3.27Å
360	L	92.2	Very high	93	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	24%	0.237	C	C	.	.			trans	-67.8	162.4	172.2	-60.8	176.8	0	0	0	111.6	L357 I364 L369 L384 M389 A391 L413 V418	L357-L360 HydrophobicContact CB-CD1 4.47Å; L357-L360 HydrophobicContact CB-CD2 4.19Å; L357-L360 HydrophobicContact CB-CG 4.48Å; L357-L360 HydrophobicContact CD1-CD2 4.26Å; L360-I364 HydrophobicContact CB-CD1 4.32Å; L360-I364 HydrophobicContact CD2-CD1 4.13Å; L360-L369 HydrophobicContact CD1-CD1 4.37Å; L360-L369 HydrophobicContact CD2-CD2 4.5Å; L360-L384 HydrophobicContact CD1-CD1 3.72Å; L360-M389 HydrophobicContact CB-CE 3.81Å; L360-M389 WeakPolarHBondContact CB-O 3.46Å; L360-M389 WeakPolarHBondContact CG-O 3.17Å; L360-M389 PolarHBondContact N-O 3.3Å; L360-M389 VanDerWaalsContact N-O 3.13Å; L360-A391 HydrophobicContact CD1-CB 3.84Å; L360-L413 HydrophobicContact CD2-CD1 4.39Å; L360-V418 HydrophobicContact CD2-CG1 4.02Å; L360-V418 HydrophobicContact CD2-CG2 4Å
361	S	89.9	Confident	93	Very high	11 Å²	11	43.5 Å²	43.5	8%	0.077	24%	0.239	C	C	.	.			trans	-82.8	139.8	168.7	-178.9	0	0	0	0	110.4	T363 I364 M389	S361-T363 WeakPolarHBondContact CB-OG1 3.38Å; S361-T363 PolarHBondContact O-N 2.91Å; S361-T363 PolarHBondContact OG-N 2.87Å; S361-T363 PolarHBondContact OG-OG1 2.9Å; S361-I364 WeakPolarHBondContact O-CB 3.37Å; S361-I364 PolarHBondContact O-N 3.47Å; S361-M389 WeakPolarHBondContact O-CE 3.48Å
362	P	89.1	Confident	92.9	Very high	68 Å²	68	42.9 Å²	42.9	44%	0.442	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-15.8	172.8	-28.5	36.2	0	0	0	115.4	M389	P362-M389 HydrophobicContact CB-SD 4.3Å; P362-M389 HydrophobicContact CG-CE 4.45Å; P362-M389 HydrophobicContact CG-SD 4.05Å
363	T	89.7	Confident	92.8	Very high	96 Å²	96	41.6 Å²	41.6	59%	0.589	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.4	174.6	62.7	0	0	0	0	114.1	S361	S361-T363 WeakPolarHBondContact CB-OG1 3.38Å; S361-T363 PolarHBondContact O-N 2.91Å; S361-T363 PolarHBondContact OG-N 2.87Å; S361-T363 PolarHBondContact OG-OG1 2.9Å
364	I	90.2	Very high	92.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.225	C	C	.	.			trans	-86.1	121.9	176.9	-68.6	174.7	0	0	0	108.5	L360 S361 F368 L369 L384 L413 V414	L360-I364 HydrophobicContact CB-CD1 4.32Å; L360-I364 HydrophobicContact CD2-CD1 4.13Å; S361-I364 WeakPolarHBondContact O-CB 3.37Å; S361-I364 PolarHBondContact O-N 3.47Å; I364-F368 HydrophobicContact CD1-CE1 4.33Å; I364-F368 HydrophobicContact CG1-CD1 4.09Å; I364-F368 HydrophobicContact CG1-CE1 4.26Å; I364-F368 HydrophobicContact CG2-CB 4.49Å; I364-F368 HydrophobicContact CG2-CD1 3.93Å; I364-L369 HydrophobicContact CG2-CD1 4.16Å; I364-L369 HydrophobicContact CG2-CD2 3.75Å; I364-L369 HydrophobicContact CG2-CG 3.67Å; I364-L384 WeakPolarHBondContact O-CD2 3.35Å; I364-L413 HydrophobicContact CD1-CB 3.89Å; I364-V414 HydrophobicContact CD1-CG2 4.01Å; I364-V414 HydrophobicContact CG1-CG2 3.76Å
365	N	91.8	Very high	92.4	Very high	88 Å²	88	47.3 Å²	47.3	47%	0.471	25%	0.25	S	S	.	.			trans	-109	166.7	171.7	-63.7	-16.8	0	0	0	109.8	A367 F368 L369	N365-A367 VanDerWaalsContact C-N 3.33Å; N365-A367 PolarHBondContact O-N 2.87Å; N365-F368 WeakPolarHBondContact O-CA 3.21Å; N365-F368 VanDerWaalsContact O-CB 3.31Å; N365-F368 WeakPolarHBondContact O-CB 3.49Å; N365-F368 PolarHBondContact O-N 3.4Å; N365-L369 PolarHBondContact O-N 2.88Å
366	E	91.7	Very high	92.2	Very high	86 Å²	86	48.8 Å²	48.8	40%	0.402	26%	0.256	S	S	.	.	H	α-helix	trans	-55.5	-45.6	-179.5	-62	179.9	154	0	0	112.1	F368 L369 T370 V382 L384	E366-F368 PolarHBondContact O-N 3Å; E366-F368 VanDerWaalsContact O-N 3.11Å; E366-L369 CarbonylContact O-C 3.5Å; E366-L369 WeakPolarHBondContact O-CA 3.31Å; E366-L369 WeakPolarHBondContact O-CB 3.27Å; E366-L369 PolarHBondContact O-N 2.93Å; E366-T370 PolarHBondContact O-N 3.1Å; E366-T370 PolarHBondContact O-OG1 2.83Å; E366-T370 VanDerWaalsContact O-OG1 3.1Å; E366-V382 HydrophobicContact CB-CB 4.46Å; E366-V382 HydrophobicContact CB-CG1 3.93Å; E366-V382 HydrophobicContact CG-CG1 3.95Å; E366-L384 HydrophobicContact CG-CB 3.48Å; E366-L384 VanDerWaalsContact CG-CB 3.48Å; E366-L384 HydrophobicContact CG-CD2 4.03Å; E366-L384 HydrophobicContact CG-CG 4.42Å; E366-L384 WeakPolarHBondContact OE1-CB 3.49Å; E366-L384 PolarHBondContact OE1-N 2.67Å
367	A	92	Very high	91.9	Very high	69 Å²	69	49.7 Å²	49.7	57%	0.57	27%	0.267	S	S	*	.	H	α-helix	trans	-61.6	-19.7	175.2	0	0	0	0	0	114.9	N365 R371	N365-A367 VanDerWaalsContact C-N 3.33Å; N365-A367 PolarHBondContact O-N 2.87Å; A367-R371 PolarHBondContact O-NH1 3.31Å
368	F	93.1	Very high	91.5	Very high	55 Å²	55	55.8 Å²	55.8	24%	0.241	30%	0.295	C	S	.	.	H	α-helix	trans	-76.6	-45.1	167.9	177.7	-83.4	0	0	0	110.5	I364 N365 E366 R371 Q372 V414	I364-F368 HydrophobicContact CD1-CE1 4.33Å; I364-F368 HydrophobicContact CG1-CD1 4.09Å; I364-F368 HydrophobicContact CG1-CE1 4.26Å; I364-F368 HydrophobicContact CG2-CB 4.49Å; I364-F368 HydrophobicContact CG2-CD1 3.93Å; N365-F368 WeakPolarHBondContact O-CA 3.21Å; N365-F368 VanDerWaalsContact O-CB 3.31Å; N365-F368 WeakPolarHBondContact O-CB 3.49Å; N365-F368 PolarHBondContact O-N 3.4Å; E366-F368 PolarHBondContact O-N 3Å; E366-F368 VanDerWaalsContact O-N 3.11Å; F368-R371 PolarHBondContact O-N 3.41Å; F368-Q372 HydrophobicContact CD1-CB 4.34Å; F368-Q372 HydrophobicContact CE1-CB 4.1Å; F368-Q372 HydrophobicContact CE1-CG 4.2Å; F368-Q372 WeakPolarHBondContact O-CB 3.38Å; F368-Q372 PolarHBondContact O-N 3.09Å; F368-V414 HydrophobicContact CE1-CG2 4.03Å; F368-V414 HydrophobicContact CE2-CG2 3.91Å; F368-V414 HydrophobicContact CZ-CG2 3.56Å
369	L	93.4	Very high	91.4	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.7	-47.1	177.7	-65.9	173	0	0	0	111.4	L357 L360 I364 N365 E366 R371 Q372 F373 V382 L384 A391 L393 L413	L357-L369 HydrophobicContact CD1-CD2 3.93Å; L360-L369 HydrophobicContact CD1-CD1 4.37Å; L360-L369 HydrophobicContact CD2-CD2 4.5Å; I364-L369 HydrophobicContact CG2-CD1 4.16Å; I364-L369 HydrophobicContact CG2-CD2 3.75Å; I364-L369 HydrophobicContact CG2-CG 3.67Å; N365-L369 PolarHBondContact O-N 2.88Å; E366-L369 CarbonylContact O-C 3.5Å; E366-L369 WeakPolarHBondContact O-CA 3.31Å; E366-L369 WeakPolarHBondContact O-CB 3.27Å; E366-L369 PolarHBondContact O-N 2.93Å; L369-R371 PolarHBondContact O-N 2.75Å; L369-Q372 PolarHBondContact O-N 3.28Å; L369-Q372 VanDerWaalsContact O-N 3.11Å; L369-F373 HydrophobicContact CD2-CD2 4.3Å; L369-F373 HydrophobicContact CD2-CE2 3.94Å; L369-F373 PolarHBondContact O-N 2.96Å; L369-V382 HydrophobicContact CB-CG1 4.16Å; L369-V382 HydrophobicContact CD1-CG1 4.01Å; L369-L384 HydrophobicContact CD1-CD1 4.31Å; L369-A391 HydrophobicContact CD1-CB 3.7Å; L369-L393 HydrophobicContact CB-CD2 4.05Å; L369-L393 HydrophobicContact CD1-CD2 4.29Å; L369-L413 HydrophobicContact CD2-CD1 4.34Å
370	T	93.1	Very high	91.2	Very high	57 Å²	57	56.9 Å²	56.9	35%	0.35	30%	0.303	S	S	.	.	H	α-helix	trans	-56.7	-48.5	178	-48	0	0	0	0	111.6	E366 Q372 G374 L379	E366-T370 PolarHBondContact O-N 3.1Å; E366-T370 PolarHBondContact O-OG1 2.83Å; E366-T370 VanDerWaalsContact O-OG1 3.1Å; T370-Q372 PolarHBondContact O-N 2.86Å; T370-G374 WeakPolarHBondContact O-CA 3.48Å; T370-G374 PolarHBondContact O-N 3.17Å; T370-L379 HydrophobicContact CG2-CD1 4.31Å
371	R	92.7	Very high	91	Very high	174 Å²	174	62.7 Å²	62.7	66%	0.657	33%	0.33	S	S	*	.	H	α-helix	trans	-66.9	-34.7	176.6	-176.6	173.6	64.7	-96.2	3.3	113	A367 F368 L369	A367-R371 PolarHBondContact O-NH1 3.31Å; F368-R371 PolarHBondContact O-N 3.41Å; L369-R371 PolarHBondContact O-N 2.75Å
372	Q	91.3	Very high	91.1	Very high	52 Å²	52	63.2 Å²	63.2	24%	0.243	33%	0.333	C	S	.	.	H	α-helix	trans	-76.1	-39.5	-176.3	178.5	62.4	1.3	0	0	112.6	F368 L369 T370 R375 L413	F368-Q372 HydrophobicContact CD1-CB 4.34Å; F368-Q372 HydrophobicContact CE1-CB 4.1Å; F368-Q372 HydrophobicContact CE1-CG 4.2Å; F368-Q372 WeakPolarHBondContact O-CB 3.38Å; F368-Q372 PolarHBondContact O-N 3.09Å; L369-Q372 PolarHBondContact O-N 3.28Å; L369-Q372 VanDerWaalsContact O-N 3.11Å; T370-Q372 PolarHBondContact O-N 2.86Å; Q372-R375 WeakPolarHBondContact O-CG 3.34Å; Q372-R375 PolarHBondContact O-NE 3.04Å; Q372-L413 HydrophobicContact CG-CD2 3.88Å
373	F	93	Very high	91.2	Very high	1 Å²	1	61.3 Å²	61.3	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-97	-19.8	-177.2	-75.6	-93.7	0	0	0	113.6	L357 L369 R375 Y376 L379 L393 F395 A404 T408 L413 I420	L357-F373 HydrophobicContact CD1-CE2 3.75Å; L357-F373 HydrophobicContact CD1-CZ 3.71Å; L357-F373 HydrophobicContact CD2-CZ 4.01Å; L369-F373 HydrophobicContact CD2-CD2 4.3Å; L369-F373 HydrophobicContact CD2-CE2 3.94Å; L369-F373 PolarHBondContact O-N 2.96Å; F373-R375 PolarHBondContact O-N 2.82Å; F373-Y376 HydrophobicContact CB-CD2 4.31Å; F373-Y376 AromaticContact CD1-CD2 3.88Å; F373-Y376 HydrophobicContact CD1-CD2 3.88Å; F373-Y376 AromaticContact CD1-CE2 3.69Å; F373-Y376 HydrophobicContact CD1-CE2 3.69Å; F373-Y376 HydrophobicContact CE1-CE2 4.24Å; F373-Y376 HydrophobicContact CG-CD2 4.48Å; F373-Y376 HydrophobicContact CG-CE2 4.4Å; F373-Y376 WeakPolarHBondContact O-CB 3.22Å; F373-Y376 VanDerWaalsContact O-CD2 3.26Å; F373-Y376 WeakPolarHBondContact O-CD2 3.09Å; F373-Y376 PolarHBondContact O-N 3.31Å; F373-L379 HydrophobicContact CB-CD1 3.99Å; F373-L393 HydrophobicContact CB-CD1 3.97Å; F373-L393 HydrophobicContact CD1-CD1 3.57Å; F373-L393 HydrophobicContact CD2-CD1 3.54Å; F373-L393 HydrophobicContact CE1-CD1 3.83Å; F373-L393 HydrophobicContact CE2-CD1 3.8Å; F373-L393 HydrophobicContact CG-CD1 3.41Å; F373-L393 VanDerWaalsContact CG-CD1 3.41Å; F373-L393 HydrophobicContact CZ-CD1 3.94Å; F373-F395 HydrophobicContact CB-CZ 4.2Å; F373-F395 HydrophobicContact CD1-CZ 4.37Å; F373-A404 HydrophobicContact CD1-CB 4.42Å; F373-T408 HydrophobicContact CE1-CG2 3.96Å; F373-T408 HydrophobicContact CZ-CG2 3.9Å; F373-L413 HydrophobicContact CE2-CD1 3.76Å; F373-L413 HydrophobicContact CZ-CD1 4.1Å; F373-I420 HydrophobicContact CE1-CD1 4.38Å
374	G	91	Very high	91.2	Very high	36 Å²	36	57.4 Å²	57.4	37%	0.371	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-15.8	173	0	0	0	0	0	114.5	T370 Y376 G377	T370-G374 WeakPolarHBondContact O-CA 3.48Å; T370-G374 PolarHBondContact O-N 3.17Å; G374-Y376 PolarHBondContact O-N 3.43Å; G374-G377 WeakPolarHBondContact CA-O 3.35Å; G374-G377 PolarHBondContact O-N 3.32Å
375	R	91.3	Very high	91.3	Very high	144 Å²	144	57.6 Å²	57.6	54%	0.543	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.3	169.8	76.1	175.6	69.6	-142.6	-2.9	114.3	Q372 F373	Q372-R375 WeakPolarHBondContact O-CG 3.34Å; Q372-R375 PolarHBondContact O-NE 3.04Å; F373-R375 PolarHBondContact O-N 2.82Å
376	Y	92.7	Very high	91	Very high	30 Å²	30	61.1 Å²	61.1	12%	0.118	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-27.1	-177.4	-57.4	-54.1	0	0	0	112	F373 G374 V400 H403 A404 E407 T408	F373-Y376 HydrophobicContact CB-CD2 4.31Å; F373-Y376 AromaticContact CD1-CD2 3.88Å; F373-Y376 HydrophobicContact CD1-CD2 3.88Å; F373-Y376 AromaticContact CD1-CE2 3.69Å; F373-Y376 HydrophobicContact CD1-CE2 3.69Å; F373-Y376 HydrophobicContact CE1-CE2 4.24Å; F373-Y376 HydrophobicContact CG-CD2 4.48Å; F373-Y376 HydrophobicContact CG-CE2 4.4Å; F373-Y376 WeakPolarHBondContact O-CB 3.22Å; F373-Y376 VanDerWaalsContact O-CD2 3.26Å; F373-Y376 WeakPolarHBondContact O-CD2 3.09Å; F373-Y376 PolarHBondContact O-N 3.31Å; G374-Y376 PolarHBondContact O-N 3.43Å; Y376-V400 WeakPolarHBondContact O-CG1 3.31Å; Y376-H403 AromaticContact CD1-ND1 3.53Å; Y376-H403 AromaticContact CE1-ND1 3.98Å; Y376-A404 HydrophobicContact CD2-CB 3.41Å; Y376-A404 VanDerWaalsContact CD2-CB 3.41Å; Y376-A404 HydrophobicContact CE2-CB 3.96Å; Y376-A404 HydrophobicContact CG-CB 3.82Å; Y376-E407 HydrophobicContact CE1-CB 4.02Å; Y376-E407 HydrophobicContact CE1-CG 4.23Å; Y376-E407 WeakPolarHBondContact CE1-OE2 3.42Å; Y376-T408 PolarHBondContact OH-OG1 2.98Å; Y376-T408 VanDerWaalsContact OH-OG1 3.09Å
377	G	89.5	Confident	90.8	Very high	23 Å²	23	62.6 Å²	62.6	24%	0.237	31%	0.308	C	S	.	.	S	Bend	trans	157.8	173.2	-176.4	0	0	0	0	0	110	G374	G374-G377 WeakPolarHBondContact CA-O 3.35Å; G374-G377 PolarHBondContact O-N 3.32Å
378	Q	88.1	Confident	90.6	Very high	129 Å²	129	61.1 Å²	61.1	60%	0.603	29%	0.294	S	S	*	.			trans	-65.4	145.6	-177.4	-176.7	58	43.2	0	0	111.7	F395 D396	Q378-F395 WeakPolarHBondContact O-CD1 3.46Å; Q378-D396 WeakPolarHBondContact CB-OD2 3.3Å
379	L	91.1	Very high	90.5	Very high	9 Å²	9	60.1 Å²	60.1	5%	0.047	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.2	172.7	-73.7	161.5	0	0	0	108.6	T370 F373 V382 L393 Y394 F395	T370-L379 HydrophobicContact CG2-CD1 4.31Å; F373-L379 HydrophobicContact CB-CD1 3.99Å; L379-V382 HydrophobicContact CD1-CG2 4.19Å; L379-L393 HydrophobicContact CD2-CB 3.87Å; L379-Y394 CarbonylContact C-O 3.52Å; L379-Y394 VanDerWaalsContact CA-O 3.28Å; L379-Y394 WeakPolarHBondContact CA-O 3.32Å; L379-Y394 WeakPolarHBondContact CD2-O 3.13Å; L379-F395 HydrophobicContact CD2-CD1 3.59Å; L379-F395 HydrophobicContact CD2-CD2 4.08Å; L379-F395 HydrophobicContact CD2-CE1 3.48Å; L379-F395 VanDerWaalsContact CD2-CE1 3.48Å; L379-F395 HydrophobicContact CD2-CE2 3.96Å; L379-F395 HydrophobicContact CD2-CG 3.93Å; L379-F395 HydrophobicContact CD2-CZ 3.68Å; L379-F395 HydrophobicContact CG-CD1 4.11Å; L379-F395 HydrophobicContact CG-CE1 3.92Å; L379-F395 HydrophobicContact CG-CZ 4.48Å
380	T	89	Confident	90.6	Very high	65 Å²	65	61.4 Å²	61.4	40%	0.399	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-46.9	174.4	52.2	0	0	0	0	110.4	Y394 D396	T380-Y394 PolarHBondContact N-O 2.86Å; T380-Y394 VanDerWaalsContact OG1-CB 3.27Å; T380-Y394 WeakPolarHBondContact OG1-CB 3.33Å; T380-Y394 PolarHBondContact OG1-O 2.82Å; T380-D396 WeakPolarHBondContact CG2-OD1 3.32Å
381	H	86.9	Confident	90.6	Very high	122 Å²	122	58.7 Å²	58.7	57%	0.565	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	150	-179.4	-58.6	-61.2	0	0	0	111.9	Y394	H381-Y394 HydrophobicContact CB-CD2 3.91Å; H381-Y394 HydrophobicContact CB-CG 4.19Å; H381-Y394 WeakPolarHBondContact O-CB 3.36Å; H381-Y394 PolarHBondContact O-N 3.16Å
382	V	91.5	Very high	90.8	Very high	23 Å²	23	50.4 Å²	50.4	14%	0.139	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134	167.8	174.2	0	0	0	0	106.3	E366 L369 L379 L392 L393	E366-V382 HydrophobicContact CB-CB 4.46Å; E366-V382 HydrophobicContact CB-CG1 3.93Å; E366-V382 HydrophobicContact CG-CG1 3.95Å; L369-V382 HydrophobicContact CB-CG1 4.16Å; L369-V382 HydrophobicContact CD1-CG1 4.01Å; L379-V382 HydrophobicContact CD1-CG2 4.19Å; V382-L392 WeakPolarHBondContact CA-O 3.41Å; V382-L393 HydrophobicContact CB-CD2 4.32Å; V382-L393 HydrophobicContact CG1-CD2 3.83Å; V382-L393 HydrophobicContact CG2-CD2 3.79Å
383	V	91.2	Very high	91	Very high	28 Å²	28	48 Å²	48	17%	0.17	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	111.5	177.7	-172.4	0	0	0	0	108.3	A391 L392 Y394 F431 L435	V383-A391 CarbonylContact O-C 3.57Å; V383-A391 WeakPolarHBondContact O-CA 3.43Å; V383-L392 HydrophobicContact CB-CB 4.48Å; V383-L392 PolarHBondContact N-O 3.07Å; V383-L392 PolarHBondContact O-N 2.85Å; V383-Y394 HydrophobicContact CG2-CE2 4.05Å; V383-F431 HydrophobicContact CB-CE1 4.4Å; V383-F431 HydrophobicContact CG1-CE1 3.97Å; V383-L435 HydrophobicContact CG1-CD2 3.73Å
384	L	91.5	Very high	91.1	Very high	14 Å²	14	48.6 Å²	48.6	7%	0.073	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.2	-176.4	175.5	66.7	0	0	0	112.4	L360 I364 E366 L369 R386 A391	L360-L384 HydrophobicContact CD1-CD1 3.72Å; I364-L384 WeakPolarHBondContact O-CD2 3.35Å; E366-L384 HydrophobicContact CG-CB 3.48Å; E366-L384 VanDerWaalsContact CG-CB 3.48Å; E366-L384 HydrophobicContact CG-CD2 4.03Å; E366-L384 HydrophobicContact CG-CG 4.42Å; E366-L384 WeakPolarHBondContact OE1-CB 3.49Å; E366-L384 PolarHBondContact OE1-N 2.67Å; L369-L384 HydrophobicContact CD1-CD1 4.31Å; L384-R386 HydrophobicContact CD2-CG 3.86Å; L384-R386 HydrophobicContact CG-CG 3.86Å; L384-R386 PolarHBondContact O-N 3.45Å; L384-A391 HydrophobicContact CD1-CB 4.09Å
385	D	90.7	Very high	91.3	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.027	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	99.8	165	-179.4	-6.8	0	0	0	109.6	K387 S388 M389 R390 F431 L435	D385-K387 PolarHBondContact O-N 3.15Å; D385-K387 WeakPolarHBondContact OD1-CA 3.29Å; D385-K387 WeakPolarHBondContact OD1-CB 3.47Å; D385-K387 PolarHBondContact OD1-N 3.26Å; D385-S388 PolarHBondContact OD1-N 2.7Å; D385-S388 WeakPolarHBondContact OD2-CB 3.19Å; D385-S388 PolarHBondContact OD2-OG 3.34Å; D385-M389 WeakPolarHBondContact O-CA 3.2Å; D385-M389 PolarHBondContact O-N 2.74Å; D385-R390 PolarHBondContact N-O 3.16Å; D385-R390 PolarHBondContact O-N 3.21Å; D385-R390 VanDerWaalsContact O-N 3.14Å; D385-F431 HydrophobicContact CB-CE2 4.24Å; D385-F431 HydrophobicContact CB-CZ 3.78Å; D385-L435 HydrophobicContact CB-CD1 4.1Å
386	R	87.2	Confident	91.3	Very high	162 Å²	162	44.1 Å²	44.1	61%	0.611	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-9.3	177.1	-59.4	-172.4	73.2	-149.5	-0	114	L384 M389	L384-R386 HydrophobicContact CD2-CG 3.86Å; L384-R386 HydrophobicContact CG-CG 3.86Å; L384-R386 PolarHBondContact O-N 3.45Å; R386-M389 VanDerWaalsContact O-SD 3.41Å
387	K	86.2	Confident	91.3	Very high	117 Å²	117	46.9 Å²	46.9	51%	0.509	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-42.4	179.3	-69.7	163	-177.4	150.1	0	111.3	D385 H438 D439	D385-K387 PolarHBondContact O-N 3.15Å; D385-K387 WeakPolarHBondContact OD1-CA 3.29Å; D385-K387 WeakPolarHBondContact OD1-CB 3.47Å; D385-K387 PolarHBondContact OD1-N 3.26Å; K387-H438 HydrophobicContact CD-CB 3.82Å; K387-H438 PolarHBondContact NZ-O 3.29Å; K387-D439 IonicContact NZ-OD1 2.72Å; K387-D439 PolarHBondContact NZ-OD1 3.15Å; K387-D439 IonicContact NZ-OD2 3.18Å; K387-D439 PolarHBondContact NZ-OD2 2.86Å
388	S	88.4	Confident	91.6	Very high	38 Å²	38	48 Å²	48	27%	0.266	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.3	171.9	72.5	0	0	0	0	114.4	D385 R390	D385-S388 PolarHBondContact OD1-N 2.7Å; D385-S388 WeakPolarHBondContact OD2-CB 3.19Å; D385-S388 PolarHBondContact OD2-OG 3.34Å; S388-R390 WeakPolarHBondContact OG-CB 3.49Å; S388-R390 WeakPolarHBondContact OG-CD 3.46Å
389	M	91.4	Very high	91.9	Very high	33 Å²	33	47.8 Å²	47.8	16%	0.163	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	41	-175.4	-62.3	-54.8	-37.9	0	0	114.1	L360 S361 P362 D385 R386	L360-M389 HydrophobicContact CB-CE 3.81Å; L360-M389 WeakPolarHBondContact CB-O 3.46Å; L360-M389 WeakPolarHBondContact CG-O 3.17Å; L360-M389 PolarHBondContact N-O 3.3Å; L360-M389 VanDerWaalsContact N-O 3.13Å; S361-M389 WeakPolarHBondContact O-CE 3.48Å; P362-M389 HydrophobicContact CB-SD 4.3Å; P362-M389 HydrophobicContact CG-CE 4.45Å; P362-M389 HydrophobicContact CG-SD 4.05Å; D385-M389 WeakPolarHBondContact O-CA 3.2Å; D385-M389 PolarHBondContact O-N 2.74Å; R386-M389 VanDerWaalsContact O-SD 3.41Å
390	R	94.2	Very high	92.1	Very high	28 Å²	28	48.8 Å²	48.8	11%	0.106	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	155.8	-175.5	-65.8	175.4	179.7	-174.2	-2.6	111.4	G320 D321 L357 D358 D385 S388 F431	G320-R390 PolarHBondContact O-NH1 3.47Å; D321-R390 VanDerWaalsContact CB-NH2 3.32Å; D321-R390 IonicContact OD2-CZ 2.68Å; D321-R390 IonicContact OD2-NH1 3.22Å; D321-R390 PolarHBondContact OD2-NH1 2.86Å; D321-R390 IonicContact OD2-NH2 2.67Å; D321-R390 PolarHBondContact OD2-NH2 2.82Å; L357-R390 CarbonylContact O-C 3.55Å; L357-R390 WeakPolarHBondContact O-CA 3.28Å; L357-R390 VanDerWaalsContact O-CB 3.31Å; L357-R390 WeakPolarHBondContact O-CB 3.43Å; D358-R390 HydrophobicContact CB-CG 3.83Å; D358-R390 WeakPolarHBondContact OD1-CG 3Å; D358-R390 IonicContact OD1-CZ 2.85Å; D358-R390 IonicContact OD1-NE 3.28Å; D358-R390 PolarHBondContact OD1-NE 3.44Å; D358-R390 IonicContact OD1-NH2 3.17Å; D358-R390 IonicContact OD2-CZ 2.69Å; D358-R390 VanDerWaalsContact OD2-CZ 3.28Å; D358-R390 IonicContact OD2-NE 3.81Å; D358-R390 PolarHBondContact OD2-NE 3.26Å; D358-R390 VanDerWaalsContact OD2-NE 3.16Å; D358-R390 IonicContact OD2-NH2 3.8Å; D358-R390 PolarHBondContact OD2-NH2 3.13Å; D385-R390 PolarHBondContact N-O 3.16Å; D385-R390 PolarHBondContact O-N 3.21Å; D385-R390 VanDerWaalsContact O-N 3.14Å; S388-R390 WeakPolarHBondContact OG-CB 3.49Å; S388-R390 WeakPolarHBondContact OG-CD 3.46Å; R390-F431 HydrophobicContact CB-CE2 3.72Å; R390-F431 HydrophobicContact CB-CZ 4.47Å
391	A	94.8	Very high	92.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	154.9	175.6	0	0	0	0	0	112.9	W356 L357 L360 L369 V383 L384	W356-A391 WeakPolarHBondContact CA-O 3.34Å; L357-A391 HydrophobicContact CB-CB 4.47Å; L357-A391 PolarHBondContact N-O 2.93Å; L357-A391 PolarHBondContact O-N 3.14Å; L360-A391 HydrophobicContact CD1-CB 3.84Å; L369-A391 HydrophobicContact CD1-CB 3.7Å; V383-A391 CarbonylContact O-C 3.57Å; V383-A391 WeakPolarHBondContact O-CA 3.43Å; L384-A391 HydrophobicContact CD1-CB 4.09Å
392	L	96	Very high	92.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.9	161.9	-62.8	178.7	0	0	0	109.5	V354 V355 W356 V382 V383 Y394 A423 Q428 F431	V354-L392 HydrophobicContact CG1-CB 4.3Å; V354-L392 HydrophobicContact CG1-CD2 4.42Å; V355-L392 CarbonylContact O-C 3.47Å; V355-L392 WeakPolarHBondContact O-CA 3.45Å; W356-L392 HydrophobicContact CB-CD2 4.05Å; W356-L392 HydrophobicContact CG-CD2 4.49Å; V382-L392 WeakPolarHBondContact CA-O 3.41Å; V383-L392 HydrophobicContact CB-CB 4.48Å; V383-L392 PolarHBondContact N-O 3.07Å; V383-L392 PolarHBondContact O-N 2.85Å; L392-Y394 HydrophobicContact CB-CD2 4.41Å; L392-Y394 HydrophobicContact CB-CE2 3.76Å; L392-Y394 HydrophobicContact CD1-CE2 4.29Å; L392-A423 HydrophobicContact CD2-CB 3.84Å; L392-Q428 HydrophobicContact CD1-CB 4.25Å; L392-Q428 HydrophobicContact CD1-CG 4.2Å; L392-F431 HydrophobicContact CD1-CB 4.01Å; L392-F431 HydrophobicContact CD1-CD1 3.45Å; L392-F431 VanDerWaalsContact CD1-CD1 3.45Å; L392-F431 HydrophobicContact CD1-CE1 4.05Å; L392-F431 HydrophobicContact CD1-CG 3.78Å; L392-F431 HydrophobicContact CD2-CG 4.44Å; L392-F431 HydrophobicContact CG-CD1 3.72Å; L392-F431 HydrophobicContact CG-CD2 4.29Å; L392-F431 HydrophobicContact CG-CE1 3.9Å; L392-F431 HydrophobicContact CG-CE2 4.44Å; L392-F431 HydrophobicContact CG-CG 3.93Å; L392-F431 HydrophobicContact CG-CZ 4.27Å
393	L	95.3	Very high	93	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120	174.1	-55.1	-177.3	0	0	0	108.8	V354 V355 L357 L369 F373 L379 V382 F395	V354-L393 CarbonylContact C-O 3.55Å; V354-L393 VanDerWaalsContact CA-O 3.31Å; V354-L393 WeakPolarHBondContact CA-O 3.17Å; V355-L393 HydrophobicContact CB-CB 4.33Å; V355-L393 PolarHBondContact N-O 2.7Å; V355-L393 PolarHBondContact O-N 2.85Å; L357-L393 HydrophobicContact CD1-CD1 3.86Å; L357-L393 HydrophobicContact CD1-CG 4.22Å; L357-L393 HydrophobicContact CG-CD1 4.46Å; L369-L393 HydrophobicContact CB-CD2 4.05Å; L369-L393 HydrophobicContact CD1-CD2 4.29Å; F373-L393 HydrophobicContact CB-CD1 3.97Å; F373-L393 HydrophobicContact CD1-CD1 3.57Å; F373-L393 HydrophobicContact CD2-CD1 3.54Å; F373-L393 HydrophobicContact CE1-CD1 3.83Å; F373-L393 HydrophobicContact CE2-CD1 3.8Å; F373-L393 HydrophobicContact CG-CD1 3.41Å; F373-L393 VanDerWaalsContact CG-CD1 3.41Å; F373-L393 HydrophobicContact CZ-CD1 3.94Å; L379-L393 HydrophobicContact CD2-CB 3.87Å; V382-L393 HydrophobicContact CB-CD2 4.32Å; V382-L393 HydrophobicContact CG1-CD2 3.83Å; V382-L393 HydrophobicContact CG2-CD2 3.79Å; L393-F395 HydrophobicContact CB-CE2 4.11Å
394	Y	95.5	Very high	93.2	Very high	15 Å²	15	45.7 Å²	45.7	6%	0.059	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.5	179.7	-67.3	-102.1	0	0	0	109.5	V354 L379 T380 H381 V383 L392 Q428 Y448	V354-Y394 HydrophobicContact CB-CD1 4.31Å; V354-Y394 HydrophobicContact CB-CE1 4.39Å; V354-Y394 HydrophobicContact CG1-CD1 3.94Å; V354-Y394 HydrophobicContact CG1-CD2 4.22Å; V354-Y394 HydrophobicContact CG1-CE1 3.83Å; V354-Y394 HydrophobicContact CG1-CE2 4.12Å; V354-Y394 HydrophobicContact CG1-CG 4.12Å; V354-Y394 HydrophobicContact CG2-CD1 3.38Å; V354-Y394 HydrophobicContact CG2-CE1 3.6Å; V354-Y394 HydrophobicContact CG2-CG 4.14Å; L379-Y394 CarbonylContact C-O 3.52Å; L379-Y394 VanDerWaalsContact CA-O 3.28Å; L379-Y394 WeakPolarHBondContact CA-O 3.32Å; L379-Y394 WeakPolarHBondContact CD2-O 3.13Å; T380-Y394 PolarHBondContact N-O 2.86Å; T380-Y394 VanDerWaalsContact OG1-CB 3.27Å; T380-Y394 WeakPolarHBondContact OG1-CB 3.33Å; T380-Y394 PolarHBondContact OG1-O 2.82Å; H381-Y394 HydrophobicContact CB-CD2 3.91Å; H381-Y394 HydrophobicContact CB-CG 4.19Å; H381-Y394 WeakPolarHBondContact O-CB 3.36Å; H381-Y394 PolarHBondContact O-N 3.16Å; V383-Y394 HydrophobicContact CG2-CE2 4.05Å; L392-Y394 HydrophobicContact CB-CD2 4.41Å; L392-Y394 HydrophobicContact CB-CE2 3.76Å; L392-Y394 HydrophobicContact CD1-CE2 4.29Å; Y394-Q428 VanDerWaalsContact CE1-OE1 3.3Å; Y394-Q428 PolarHBondContact OH-OE1 2.8Å; Y394-Y448 WeakPolarHBondContact CE1-OH 3.11Å; Y394-Y448 PolarHBondContact OH-OH 2.83Å
395	F	95	Very high	93.3	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	159.9	171.3	-62.2	-86.9	0	0	0	110.2	N353 V355 F373 Q378 L379 L393 V400 A401 A404	N353-F395 WeakPolarHBondContact CB-O 3.49Å; N353-F395 PolarHBondContact ND2-O 3.18Å; N353-F395 PolarHBondContact O-N 2.6Å; V355-F395 HydrophobicContact CB-CE2 4.19Å; V355-F395 HydrophobicContact CG2-CD2 4.06Å; V355-F395 HydrophobicContact CG2-CE2 3.68Å; F373-F395 HydrophobicContact CB-CZ 4.2Å; F373-F395 HydrophobicContact CD1-CZ 4.37Å; Q378-F395 WeakPolarHBondContact O-CD1 3.46Å; L379-F395 HydrophobicContact CD2-CD1 3.59Å; L379-F395 HydrophobicContact CD2-CD2 4.08Å; L379-F395 HydrophobicContact CD2-CE1 3.48Å; L379-F395 VanDerWaalsContact CD2-CE1 3.48Å; L379-F395 HydrophobicContact CD2-CE2 3.96Å; L379-F395 HydrophobicContact CD2-CG 3.93Å; L379-F395 HydrophobicContact CD2-CZ 3.68Å; L379-F395 HydrophobicContact CG-CD1 4.11Å; L379-F395 HydrophobicContact CG-CE1 3.92Å; L379-F395 HydrophobicContact CG-CZ 4.48Å; L393-F395 HydrophobicContact CB-CE2 4.11Å; F395-V400 HydrophobicContact CB-CB 4.49Å; F395-V400 HydrophobicContact CB-CG1 4.14Å; F395-V400 HydrophobicContact CD1-CG1 3.37Å; F395-V400 HydrophobicContact CE1-CG1 3.89Å; F395-V400 HydrophobicContact CG-CG1 3.9Å; F395-A401 HydrophobicContact CB-CB 4.46Å; F395-A401 HydrophobicContact CD2-CB 3.81Å; F395-A401 HydrophobicContact CE2-CB 4.46Å; F395-A401 HydrophobicContact CG-CB 4.4Å; F395-A404 HydrophobicContact CE1-CB 4.49Å; F395-A404 HydrophobicContact CE2-CB 4.04Å; F395-A404 HydrophobicContact CZ-CB 3.71Å
396	D	91.8	Very high	93.3	Very high	86 Å²	86	49.6 Å²	49.6	46%	0.46	24%	0.24	S	C	.	.	S	Bend	trans	-65.3	-43.9	173.6	-55.8	-64	0	0	0	111.8	Q378 T380	Q378-D396 WeakPolarHBondContact CB-OD2 3.3Å; T380-D396 WeakPolarHBondContact CG2-OD1 3.32Å
397	N	92.2	Very high	93.4	Very high	88 Å²	88	44.8 Å²	44.8	47%	0.471	22%	0.224	S	C	.	.			trans	-117.8	146.9	-168.7	-64.6	-54.6	0	0	0	112.6	E399 V400 A401	N397-E399 VanDerWaalsContact C-N 3.31Å; N397-E399 PolarHBondContact O-N 3.27Å; N397-V400 HydrophobicContact CB-CB 4.4Å; N397-V400 HydrophobicContact CB-CG2 4.08Å; N397-V400 PolarHBondContact O-N 3.46Å; N397-A401 PolarHBondContact O-N 3.27Å
398	V	95.5	Very high	93.5	Very high	47 Å²	47	39.4 Å²	39.4	29%	0.285	20%	0.201	S	C	.	.	H	α-helix	trans	-68.6	-34.1	179.5	-175.3	0	0	0	0	110.7	P351 N353 A401 Q402	P351-V398 HydrophobicContact CB-CG1 3.93Å; N353-V398 HydrophobicContact CB-CG2 4.15Å; V398-A401 PolarHBondContact O-N 2.82Å; V398-Q402 HydrophobicContact CG1-CG 4.41Å; V398-Q402 WeakPolarHBondContact O-CB 3.31Å; V398-Q402 VanDerWaalsContact O-CG 3.29Å; V398-Q402 WeakPolarHBondContact O-CG 3.48Å; V398-Q402 PolarHBondContact O-N 3.45Å
399	E	95.8	Very high	93.5	Very high	123 Å²	123	40.5 Å²	40.5	58%	0.575	20%	0.199	S	C	*	.	H	α-helix	trans	-66.2	-39.4	-178.9	-62.8	62.3	-136.3	0	0	110.9	N397 Q402 H403	N397-E399 VanDerWaalsContact C-N 3.31Å; N397-E399 PolarHBondContact O-N 3.27Å; E399-Q402 PolarHBondContact O-N 3.03Å; E399-H403 PolarHBondContact O-N 3.23Å
400	V	95.2	Very high	92.7	Very high	31 Å²	31	43 Å²	43	19%	0.188	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-46.7	174.2	171.4	0	0	0	0	110.3	Y376 F395 N397 Q402 H403 A404	Y376-V400 WeakPolarHBondContact O-CG1 3.31Å; F395-V400 HydrophobicContact CB-CB 4.49Å; F395-V400 HydrophobicContact CB-CG1 4.14Å; F395-V400 HydrophobicContact CD1-CG1 3.37Å; F395-V400 HydrophobicContact CE1-CG1 3.89Å; F395-V400 HydrophobicContact CG-CG1 3.9Å; N397-V400 HydrophobicContact CB-CB 4.4Å; N397-V400 HydrophobicContact CB-CG2 4.08Å; N397-V400 PolarHBondContact O-N 3.46Å; V400-Q402 VanDerWaalsContact C-N 3.33Å; V400-Q402 PolarHBondContact O-N 3.27Å; V400-H403 PolarHBondContact O-N 3.08Å; V400-A404 WeakPolarHBondContact O-CB 3.45Å; V400-A404 PolarHBondContact O-N 2.85Å
401	A	96.2	Very high	92.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-38.6	175.3	0	0	0	0	0	112.2	T352 V355 F395 N397 V398 A404 V405	T352-A401 WeakPolarHBondContact O-CB 3.21Å; V355-A401 HydrophobicContact CG2-CB 3.83Å; F395-A401 HydrophobicContact CB-CB 4.46Å; F395-A401 HydrophobicContact CD2-CB 3.81Å; F395-A401 HydrophobicContact CE2-CB 4.46Å; F395-A401 HydrophobicContact CG-CB 4.4Å; N397-A401 PolarHBondContact O-N 3.27Å; V398-A401 PolarHBondContact O-N 2.82Å; A401-A404 PolarHBondContact O-N 3.15Å; A401-V405 WeakPolarHBondContact O-CG2 3.38Å; A401-V405 PolarHBondContact O-N 3.01Å
402	Q	95.5	Very high	91.5	Very high	67.5 Å²	67.5	49.8 Å²	49.8	32%	0.315	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-46	173.4	-73.8	177	28.2	0	0	111.8	P351 V398 E399 V400 A404 V405 N406 Y422	P351-Q402 HydrophobicContact CB-CG 3.92Å; V398-Q402 HydrophobicContact CG1-CG 4.41Å; V398-Q402 WeakPolarHBondContact O-CB 3.31Å; V398-Q402 VanDerWaalsContact O-CG 3.29Å; V398-Q402 WeakPolarHBondContact O-CG 3.48Å; V398-Q402 PolarHBondContact O-N 3.45Å; E399-Q402 PolarHBondContact O-N 3.03Å; V400-Q402 VanDerWaalsContact C-N 3.33Å; V400-Q402 PolarHBondContact O-N 3.27Å; Q402-A404 VanDerWaalsContact C-N 3.35Å; Q402-A404 PolarHBondContact O-N 2.96Å; Q402-V405 PolarHBondContact O-N 3.14Å; Q402-N406 VanDerWaalsContact O-CB 3.29Å; Q402-N406 WeakPolarHBondContact O-CB 3.46Å; Q402-N406 PolarHBondContact O-N 3.3Å; Q402-N406 PolarHBondContact O-ND2 2.85Å; Q402-N406 VanDerWaalsContact O-ND2 3.14Å; Q402-Y422 WeakPolarHBondContact CA-OH 3.3Å; Q402-Y422 HydrophobicContact CG-CE1 4.18Å; Q402-Y422 WeakPolarHBondContact CG-OH 3.45Å
403	H	94	Very high	91	Very high	105 Å²	105	50 Å²	50	49%	0.486	25%	0.252	S	S	.	.	H	α-helix	trans	-60.4	-46.4	175.8	-168.8	-74	0	0	0	111.3	Y376 E399 V400 V405 N406 E407	Y376-H403 AromaticContact CD1-ND1 3.53Å; Y376-H403 AromaticContact CE1-ND1 3.98Å; E399-H403 PolarHBondContact O-N 3.23Å; V400-H403 PolarHBondContact O-N 3.08Å; H403-V405 PolarHBondContact O-N 2.89Å; H403-N406 PolarHBondContact O-N 2.97Å; H403-E407 IonicContact CE1-OE2 3.42Å; H403-E407 PolarHBondContact CE1-OE2 2.85Å; H403-E407 IonicContact ND1-OE2 2.66Å; H403-E407 WeakPolarHBondContact O-CB 3.4Å; H403-E407 PolarHBondContact O-N 3.03Å
404	A	94.6	Very high	90.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.1	-44.8	177.4	0	0	0	0	0	112.6	F373 Y376 F395 V400 A401 Q402 T408	F373-A404 HydrophobicContact CD1-CB 4.42Å; Y376-A404 HydrophobicContact CD2-CB 3.41Å; Y376-A404 VanDerWaalsContact CD2-CB 3.41Å; Y376-A404 HydrophobicContact CE2-CB 3.96Å; Y376-A404 HydrophobicContact CG-CB 3.82Å; F395-A404 HydrophobicContact CE1-CB 4.49Å; F395-A404 HydrophobicContact CE2-CB 4.04Å; F395-A404 HydrophobicContact CZ-CB 3.71Å; V400-A404 WeakPolarHBondContact O-CB 3.45Å; V400-A404 PolarHBondContact O-N 2.85Å; A401-A404 PolarHBondContact O-N 3.15Å; Q402-A404 VanDerWaalsContact C-N 3.35Å; Q402-A404 PolarHBondContact O-N 2.96Å; A404-T408 WeakPolarHBondContact O-CB 3.31Å; A404-T408 WeakPolarHBondContact O-CG2 3.43Å; A404-T408 PolarHBondContact O-N 3.07Å; A404-T408 VanDerWaalsContact O-N 3.09Å; A404-T408 PolarHBondContact O-OG1 2.92Å
405	V	93.9	Very high	89.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-47.5	176.6	170.3	0	0	0	0	111.3	V355 A401 Q402 H403 E407 T408 R409 I420 Y422	V355-V405 HydrophobicContact CB-CG2 4.35Å; V355-V405 HydrophobicContact CG1-CG2 3.79Å; V355-V405 HydrophobicContact CG2-CG2 3.66Å; A401-V405 WeakPolarHBondContact O-CG2 3.38Å; A401-V405 PolarHBondContact O-N 3.01Å; Q402-V405 PolarHBondContact O-N 3.14Å; H403-V405 PolarHBondContact O-N 2.89Å; V405-E407 PolarHBondContact O-N 3.32Å; V405-T408 PolarHBondContact O-N 3.28Å; V405-R409 WeakPolarHBondContact O-CG 3.49Å; V405-R409 PolarHBondContact O-N 2.95Å; V405-R409 VanDerWaalsContact O-N 3.12Å; V405-I420 HydrophobicContact CB-CD1 4.48Å; V405-I420 HydrophobicContact CG2-CD1 4.26Å; V405-I420 HydrophobicContact CG2-CG1 4.22Å; V405-Y422 HydrophobicContact CB-CE1 4.08Å; V405-Y422 HydrophobicContact CG1-CE1 4.39Å; V405-Y422 HydrophobicContact CG1-CE2 4.24Å; V405-Y422 HydrophobicContact CG2-CD1 4.08Å; V405-Y422 HydrophobicContact CG2-CE1 3.68Å
406	N	91.5	Very high	89.4	Confident	102 Å²	102	61.3 Å²	61.3	55%	0.545	32%	0.322	S	S	.	.	H	α-helix	trans	-65.1	-41.5	-177.4	-71	-23.6	0	0	0	112.1	Q402 H403	Q402-N406 VanDerWaalsContact O-CB 3.29Å; Q402-N406 WeakPolarHBondContact O-CB 3.46Å; Q402-N406 PolarHBondContact O-N 3.3Å; Q402-N406 PolarHBondContact O-ND2 2.85Å; Q402-N406 VanDerWaalsContact O-ND2 3.14Å; H403-N406 PolarHBondContact O-N 2.97Å
407	E	89.1	Confident	89.2	Confident	60.5 Å²	60.5	63 Å²	63	28%	0.283	33%	0.325	S	S	.	.	H	α-helix	trans	-75.2	-37.1	179	-165.3	-173.4	137.8	0	0	112.8	Y376 H403 V405 R411	Y376-E407 HydrophobicContact CE1-CB 4.02Å; Y376-E407 HydrophobicContact CE1-CG 4.23Å; Y376-E407 WeakPolarHBondContact CE1-OE2 3.42Å; H403-E407 IonicContact CE1-OE2 3.42Å; H403-E407 PolarHBondContact CE1-OE2 2.85Å; H403-E407 IonicContact ND1-OE2 2.66Å; H403-E407 WeakPolarHBondContact O-CB 3.4Å; H403-E407 PolarHBondContact O-N 3.03Å; V405-E407 PolarHBondContact O-N 3.32Å; E407-R411 VanDerWaalsContact CD-NH2 3.34Å; E407-R411 VanDerWaalsContact CG-NH2 3.35Å; E407-R411 VanDerWaalsContact O-CD 3.3Å; E407-R411 WeakPolarHBondContact O-CD 3.4Å; E407-R411 WeakPolarHBondContact O-CG 3.45Å; E407-R411 PolarHBondContact O-NE 3.1Å; E407-R411 IonicContact OE1-CZ 3.24Å; E407-R411 IonicContact OE1-NE 2.65Å; E407-R411 IonicContact OE1-NH1 2.88Å; E407-R411 PolarHBondContact OE1-NH1 3.1Å; E407-R411 IonicContact OE1-NH2 3.14Å; E407-R411 PolarHBondContact OE1-NH2 2.96Å
408	T	88	Confident	89.1	Confident	4 Å²	4	59 Å²	59	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-85.7	-13.7	-173.8	5.1	0	0	0	0	114.4	F373 Y376 A404 V405 N410 R411 I420	F373-T408 HydrophobicContact CE1-CG2 3.96Å; F373-T408 HydrophobicContact CZ-CG2 3.9Å; Y376-T408 PolarHBondContact OH-OG1 2.98Å; Y376-T408 VanDerWaalsContact OH-OG1 3.09Å; A404-T408 WeakPolarHBondContact O-CB 3.31Å; A404-T408 WeakPolarHBondContact O-CG2 3.43Å; A404-T408 PolarHBondContact O-N 3.07Å; A404-T408 VanDerWaalsContact O-N 3.09Å; A404-T408 PolarHBondContact O-OG1 2.92Å; V405-T408 PolarHBondContact O-N 3.28Å; T408-N410 PolarHBondContact O-N 3.06Å; T408-R411 WeakPolarHBondContact O-CB 3.29Å; T408-R411 PolarHBondContact O-N 3.32Å; T408-I420 HydrophobicContact CG2-CD1 4.04Å; T408-I420 WeakPolarHBondContact OG1-CD1 3.49Å
409	R	87.1	Confident	89	Confident	60.5 Å²	60.5	56.9 Å²	56.9	23%	0.228	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	135.7	168.7	-86	177	178.8	177.7	6	110.6	P267 V405 R411 I420 D421	P267-R409 PolarHBondContact O-NH1 3.47Å; V405-R409 WeakPolarHBondContact O-CG 3.49Å; V405-R409 PolarHBondContact O-N 2.95Å; V405-R409 VanDerWaalsContact O-N 3.12Å; R409-R411 PolarHBondContact O-N 2.95Å; R409-R411 VanDerWaalsContact O-N 3.12Å; R409-I420 HydrophobicContact CB-CG2 4.43Å; R409-I420 HydrophobicContact CG-CG2 3.61Å; R409-D421 IonicContact NH2-OD1 2.71Å
410	N	75.5	Confident	89	Confident	85.5 Å²	85.5	51.3 Å²	51.3	46%	0.457	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	3.2	-174.8	-63.1	-37.2	0	0	0	116.6	Y265 T408	Y265-N410 PolarHBondContact O-ND2 2.91Å; Y265-N410 PolarHBondContact O-OD1 2.93Å; T408-N410 PolarHBondContact O-N 3.06Å
411	R	81.2	Confident	89	Confident	116 Å²	116	49.8 Å²	49.8	44%	0.438	26%	0.256	S	S	.	.			trans	-81.5	156.9	171.9	-60.8	-165.2	-179.7	-156.9	-5.2	111.7	E407 T408 R409 V418	E407-R411 VanDerWaalsContact CD-NH2 3.34Å; E407-R411 VanDerWaalsContact CG-NH2 3.35Å; E407-R411 VanDerWaalsContact O-CD 3.3Å; E407-R411 WeakPolarHBondContact O-CD 3.4Å; E407-R411 WeakPolarHBondContact O-CG 3.45Å; E407-R411 PolarHBondContact O-NE 3.1Å; E407-R411 IonicContact OE1-CZ 3.24Å; E407-R411 IonicContact OE1-NE 2.65Å; E407-R411 IonicContact OE1-NH1 2.88Å; E407-R411 PolarHBondContact OE1-NH1 3.1Å; E407-R411 IonicContact OE1-NH2 3.14Å; E407-R411 PolarHBondContact OE1-NH2 2.96Å; T408-R411 WeakPolarHBondContact O-CB 3.29Å; T408-R411 PolarHBondContact O-N 3.32Å; R409-R411 PolarHBondContact O-N 2.95Å; R409-R411 VanDerWaalsContact O-N 3.12Å; R411-V418 PolarHBondContact O-N 3.31Å
412	A	83.4	Confident	89	Confident	55.5 Å²	55.5	50.6 Å²	50.6	46%	0.459	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	137	173.8	0	0	0	0	0	110.9	R416	A412-R416 CarbonylContact C-O 3.54Å; A412-R416 WeakPolarHBondContact CA-O 3.35Å; A412-R416 WeakPolarHBondContact CB-O 3.37Å
413	L	85.3	Confident	89	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.2	168.7	-57.9	-172.6	0	0	0	108.5	L360 I364 L369 Q372 F373 G415 R416 V418	L360-L413 HydrophobicContact CD2-CD1 4.39Å; I364-L413 HydrophobicContact CD1-CB 3.89Å; L369-L413 HydrophobicContact CD2-CD1 4.34Å; Q372-L413 HydrophobicContact CG-CD2 3.88Å; F373-L413 HydrophobicContact CE2-CD1 3.76Å; F373-L413 HydrophobicContact CZ-CD1 4.1Å; L413-G415 VanDerWaalsContact C-N 3.29Å; L413-G415 PolarHBondContact O-N 3.38Å; L413-R416 PolarHBondContact N-O 3.05Å; L413-R416 PolarHBondContact O-N 3.38Å; L413-R416 VanDerWaalsContact O-N 3.13Å; L413-V418 HydrophobicContact CB-CG1 3.88Å; L413-V418 HydrophobicContact CB-CG2 3.81Å; L413-V418 HydrophobicContact CD1-CG1 3.98Å; L413-V418 HydrophobicContact CD1-CG2 4.15Å; L413-V418 HydrophobicContact CG-CG1 3.83Å; L413-V418 HydrophobicContact CG-CG2 3.93Å
414	V	86.2	Confident	88.9	Confident	75 Å²	75	43.3 Å²	43.3	46%	0.455	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	49.9	-177.3	-161.9	0	0	0	0	111.5	I364 F368 R416	I364-V414 HydrophobicContact CD1-CG2 4.01Å; I364-V414 HydrophobicContact CG1-CG2 3.76Å; F368-V414 HydrophobicContact CE1-CG2 4.03Å; F368-V414 HydrophobicContact CE2-CG2 3.91Å; F368-V414 HydrophobicContact CZ-CG2 3.56Å; V414-R416 PolarHBondContact O-N 3.05Å; V414-R416 VanDerWaalsContact O-N 3.12Å
415	G	80.4	Confident	88.7	Confident	62.5 Å²	62.5	47.2 Å²	47.2	64%	0.644	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.3	-15.2	179.1	0	0	0	0	0	116.2	L413	L413-G415 VanDerWaalsContact C-N 3.29Å; L413-G415 PolarHBondContact O-N 3.38Å
416	R	84.6	Confident	88.6	Confident	115 Å²	115	50.6 Å²	50.6	43%	0.434	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.1	179.5	-63.6	-172.3	-180	-168.3	-4.5	111.7	A412 L413 V414 V418	A412-R416 CarbonylContact C-O 3.54Å; A412-R416 WeakPolarHBondContact CA-O 3.35Å; A412-R416 WeakPolarHBondContact CB-O 3.37Å; L413-R416 PolarHBondContact N-O 3.05Å; L413-R416 PolarHBondContact O-N 3.38Å; L413-R416 VanDerWaalsContact O-N 3.13Å; V414-R416 PolarHBondContact O-N 3.05Å; V414-R416 VanDerWaalsContact O-N 3.12Å; R416-V418 PolarHBondContact O-N 3.04Å
417	K	87.8	Confident	88.7	Confident	120 Å²	120	45.9 Å²	45.9	52%	0.522	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	128.7	167.8	-66.8	-174.3	178.8	-178.1	0	109.3	Y265 N359	Y265-K417 HydrophobicContact CD1-CB 3.78Å; Y265-K417 HydrophobicContact CD1-CD 4.38Å; Y265-K417 HydrophobicContact CE1-CB 3.46Å; Y265-K417 VanDerWaalsContact CE1-CB 3.46Å; Y265-K417 WeakPolarHBondContact CE1-O 3.38Å; Y265-K417 HydrophobicContact CG-CB 4.46Å; Y265-K417 HydrophobicContact CG-CD 4.29Å; Y265-K417 PolarHBondContact OH-O 2.91Å; N359-K417 PolarHBondContact ND2-O 3.27Å
418	V	90.5	Very high	88.9	Confident	4.5 Å²	4.5	43.8 Å²	43.8	3%	0.027	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-101.7	143.7	179.4	-124.7	0	0	0	0	110.2	L357 L360 R411 L413 R416	L357-V418 HydrophobicContact CB-CG1 4.14Å; L357-V418 HydrophobicContact CD2-CG1 3.94Å; L357-V418 HydrophobicContact CG-CG1 4.49Å; L360-V418 HydrophobicContact CD2-CG1 4.02Å; L360-V418 HydrophobicContact CD2-CG2 4Å; R411-V418 PolarHBondContact O-N 3.31Å; L413-V418 HydrophobicContact CB-CG1 3.88Å; L413-V418 HydrophobicContact CB-CG2 3.81Å; L413-V418 HydrophobicContact CD1-CG1 3.98Å; L413-V418 HydrophobicContact CD1-CG2 4.15Å; L413-V418 HydrophobicContact CG-CG1 3.83Å; L413-V418 HydrophobicContact CG-CG2 3.93Å; R416-V418 PolarHBondContact O-N 3.04Å
419	Q	93.5	Very high	89	Confident	2.5 Å²	2.5	44.9 Å²	44.9	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134.2	170.7	-63.1	-178.1	10	0	0	107.9	E264 Y265 I322 W356 L357 D358	E264-Q419 HydrophobicContact CB-CG 4.24Å; E264-Q419 PolarHBondContact OE1-NE2 3.16Å; Y265-Q419 HydrophobicContact CD1-CG 4.18Å; Y265-Q419 HydrophobicContact CE1-CG 3.59Å; I322-Q419 HydrophobicContact CD1-CB 4.14Å; W356-Q419 HydrophobicContact CZ3-CB 4.26Å; L357-Q419 WeakPolarHBondContact CA-O 3.27Å; D358-Q419 HydrophobicContact CB-CB 4.18Å; D358-Q419 PolarHBondContact N-O 3.04Å; D358-Q419 PolarHBondContact O-N 3.25Å
420	I	94.7	Very high	89.2	Confident	6.5 Å²	6.5	43.5 Å²	43.5	3%	0.033	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	131.6	-172.8	-170.2	172.2	0	0	0	112.9	V355 W356 L357 F373 V405 T408 R409	V355-I420 HydrophobicContact CG1-CD1 3.79Å; V355-I420 HydrophobicContact CG1-CG1 3.68Å; W356-I420 WeakPolarHBondContact O-CA 3.43Å; L357-I420 HydrophobicContact CD2-CB 3.89Å; L357-I420 HydrophobicContact CD2-CD1 3.74Å; L357-I420 HydrophobicContact CD2-CG1 3.68Å; F373-I420 HydrophobicContact CE1-CD1 4.38Å; V405-I420 HydrophobicContact CB-CD1 4.48Å; V405-I420 HydrophobicContact CG2-CD1 4.26Å; V405-I420 HydrophobicContact CG2-CG1 4.22Å; T408-I420 HydrophobicContact CG2-CD1 4.04Å; T408-I420 WeakPolarHBondContact OG1-CD1 3.49Å; R409-I420 HydrophobicContact CB-CG2 4.43Å; R409-I420 HydrophobicContact CG-CG2 3.61Å
421	D	95.8	Very high	90	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	164.4	-174.7	-172.7	31.2	0	0	0	110.8	K271 S349 W356 R409	K271-D421 WeakPolarHBondContact CB-OD2 3.37Å; K271-D421 WeakPolarHBondContact CG-OD2 3.44Å; K271-D421 PolarHBondContact N-OD2 3.01Å; K271-D421 IonicContact NZ-OD2 3.26Å; K271-D421 PolarHBondContact NZ-OD2 2.92Å; S349-D421 WeakPolarHBondContact CB-OD1 3.27Å; S349-D421 VanDerWaalsContact OG-CG 3.27Å; S349-D421 PolarHBondContact OG-OD1 2.76Å; S349-D421 PolarHBondContact OG-OD2 2.91Å; W356-D421 WeakPolarHBondContact CB-O 3.35Å; W356-D421 HydrophobicContact CE3-CB 4.08Å; W356-D421 HydrophobicContact CZ3-CB 4.49Å; W356-D421 PolarHBondContact N-O 3.19Å; W356-D421 PolarHBondContact O-N 3.28Å; R409-D421 IonicContact NH2-OD1 2.71Å
422	Y	96.4	Very high	90.3	Very high	17 Å²	17	35.6 Å²	35.6	7%	0.067	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	157.1	178.7	-58.3	-74.4	0	0	0	112.7	K271 Q350 P351 Q402 V405	K271-Y422 PolarHBondContact NZ-O 3.08Å; Q350-Y422 WeakPolarHBondContact O-CB 3.12Å; P351-Y422 HydrophobicContact CB-CD1 4.48Å; P351-Y422 HydrophobicContact CB-CE1 4.17Å; P351-Y422 HydrophobicContact CB-CE2 4.4Å; P351-Y422 HydrophobicContact CG-CE2 4.45Å; Q402-Y422 WeakPolarHBondContact CA-OH 3.3Å; Q402-Y422 HydrophobicContact CG-CE1 4.18Å; Q402-Y422 WeakPolarHBondContact CG-OH 3.45Å; V405-Y422 HydrophobicContact CB-CE1 4.08Å; V405-Y422 HydrophobicContact CG1-CE1 4.39Å; V405-Y422 HydrophobicContact CG1-CE2 4.24Å; V405-Y422 HydrophobicContact CG2-CD1 4.08Å; V405-Y422 HydrophobicContact CG2-CE1 3.68Å
423	A	95.1	Very high	90.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.			trans	-118.8	99.2	177.2	0	0	0	0	0	111.2	T352 V354 W356 L392 C427 Q428	T352-A423 PolarHBondContact OG1-O 3.02Å; V354-A423 HydrophobicContact CB-CB 4.17Å; V354-A423 HydrophobicContact CG1-CB 3.97Å; V354-A423 PolarHBondContact O-N 3.28Å; W356-A423 HydrophobicContact CB-CB 4.26Å; L392-A423 HydrophobicContact CD2-CB 3.84Å; A423-C427 HydrophobicContact CB-CB 4.37Å; A423-Q428 HydrophobicContact CB-CG 4.03Å; A423-Q428 PolarHBondContact O-NE2 2.9Å
424	G	92.6	Very high	90.5	Very high	18 Å²	18	41.7 Å²	41.7	19%	0.186	22%	0.216	C	C	.	.			trans	-63	165.8	166.9	0	0	0	0	0	112.4	E426 C427 Q428	G424-E426 PolarHBondContact O-N 3.17Å; G424-C427 WeakPolarHBondContact O-CA 3.46Å; G424-C427 VanDerWaalsContact O-CB 3.25Å; G424-C427 WeakPolarHBondContact O-CB 3.22Å; G424-C427 PolarHBondContact O-N 3.27Å; G424-Q428 WeakPolarHBondContact O-CG 3.47Å; G424-Q428 PolarHBondContact O-N 3.29Å
425	Y	90.4	Very high	90.4	Very high	82 Å²	82	38.7 Å²	38.7	32%	0.322	20%	0.198	S	C	.	.	H	α-helix	trans	-51.9	-51	-177.8	172	-100.4	0	0	0	112.7	C427 Q428 V429 L452 L456	Y425-C427 VanDerWaalsContact C-N 3.26Å; Y425-C427 PolarHBondContact O-N 3.05Å; Y425-Q428 WeakPolarHBondContact O-CB 3.38Å; Y425-Q428 PolarHBondContact O-N 3.02Å; Y425-Q428 VanDerWaalsContact O-N 3.08Å; Y425-V429 HydrophobicContact CD1-CG2 4.31Å; Y425-V429 HydrophobicContact CD2-CG2 4.28Å; Y425-V429 HydrophobicContact CE1-CG2 3.89Å; Y425-V429 HydrophobicContact CE2-CG2 3.86Å; Y425-V429 HydrophobicContact CG-CG2 4.49Å; Y425-V429 WeakPolarHBondContact O-CG2 3.21Å; Y425-V429 PolarHBondContact O-N 3.32Å; Y425-L452 HydrophobicContact CD2-CD1 4.03Å; Y425-L452 HydrophobicContact CE2-CB 4.35Å; Y425-L452 HydrophobicContact CE2-CD1 3.79Å; Y425-L456 HydrophobicContact CD1-CD1 4.5Å; Y425-L456 HydrophobicContact CD2-CD1 4.04Å; Y425-L456 HydrophobicContact CE1-CD1 4.01Å; Y425-L456 HydrophobicContact CE2-CD1 3.65Å; Y425-L456 VanDerWaalsContact CZ-CD1 3.49Å
426	E	92	Very high	90.1	Very high	71 Å²	71	37.7 Å²	37.7	33%	0.332	18%	0.18	S	C	.	.	H	α-helix	trans	-59.3	-33.6	176.8	-66.1	-58.1	129.1	0	0	112.7	I299 G424 A430	I299-E426 HydrophobicContact CG2-CB 3.63Å; G424-E426 PolarHBondContact O-N 3.17Å; E426-A430 WeakPolarHBondContact O-CB 3.46Å; E426-A430 PolarHBondContact O-N 2.88Å
427	C	93.4	Very high	89.4	Confident	3.5 Å²	3.5	39 Å²	39	2%	0.024	19%	0.189	C	C	.	.	H	α-helix	trans	-67.9	-39.2	175.1	-171.1	0	0	0	0	112.6	K271 I299 A423 G424 Y425 F431	K271-C427 VanDerWaalsContact CE-SG 3.5Å; I299-C427 HydrophobicContact CD1-CB 4.45Å; A423-C427 HydrophobicContact CB-CB 4.37Å; G424-C427 WeakPolarHBondContact O-CA 3.46Å; G424-C427 VanDerWaalsContact O-CB 3.25Å; G424-C427 WeakPolarHBondContact O-CB 3.22Å; G424-C427 PolarHBondContact O-N 3.27Å; Y425-C427 VanDerWaalsContact C-N 3.26Å; Y425-C427 PolarHBondContact O-N 3.05Å; C427-F431 VanDerWaalsContact O-CB 3.26Å; C427-F431 WeakPolarHBondContact O-CB 3.2Å; C427-F431 PolarHBondContact O-N 2.82Å
428	Q	93.2	Very high	88.2	Confident	16.5 Å²	16.5	38.6 Å²	38.6	8%	0.077	19%	0.189	C	C	.	.	H	α-helix	trans	-68.5	-46.4	176.9	-60.8	170.2	38.7	0	0	110.3	V354 L392 Y394 A423 G424 Y425 A430 F431 M432 Y448	V354-Q428 HydrophobicContact CG1-CG 4.19Å; L392-Q428 HydrophobicContact CD1-CB 4.25Å; L392-Q428 HydrophobicContact CD1-CG 4.2Å; Y394-Q428 VanDerWaalsContact CE1-OE1 3.3Å; Y394-Q428 PolarHBondContact OH-OE1 2.8Å; A423-Q428 HydrophobicContact CB-CG 4.03Å; A423-Q428 PolarHBondContact O-NE2 2.9Å; G424-Q428 WeakPolarHBondContact O-CG 3.47Å; G424-Q428 PolarHBondContact O-N 3.29Å; Y425-Q428 WeakPolarHBondContact O-CB 3.38Å; Y425-Q428 PolarHBondContact O-N 3.02Å; Y425-Q428 VanDerWaalsContact O-N 3.08Å; Q428-A430 PolarHBondContact O-N 3.24Å; Q428-F431 PolarHBondContact O-N 3.08Å; Q428-M432 WeakPolarHBondContact O-CG 3.28Å; Q428-M432 PolarHBondContact O-N 3.04Å; Q428-Y448 PolarHBondContact OE1-OH 3.14Å
429	V	90.7	Very high	86.5	Confident	27.5 Å²	27.5	41.4 Å²	41.4	17%	0.167	20%	0.204	C	C	.	.	H	α-helix	trans	-57.7	-49	175.2	168.9	0	0	0	0	111	Y425 F431 M432 K433	Y425-V429 HydrophobicContact CD1-CG2 4.31Å; Y425-V429 HydrophobicContact CD2-CG2 4.28Å; Y425-V429 HydrophobicContact CE1-CG2 3.89Å; Y425-V429 HydrophobicContact CE2-CG2 3.86Å; Y425-V429 HydrophobicContact CG-CG2 4.49Å; Y425-V429 WeakPolarHBondContact O-CG2 3.21Å; Y425-V429 PolarHBondContact O-N 3.32Å; V429-F431 VanDerWaalsContact C-N 3.34Å; V429-F431 PolarHBondContact O-N 2.77Å; V429-M432 PolarHBondContact O-N 2.62Å; V429-K433 WeakPolarHBondContact O-CB 3.43Å; V429-K433 PolarHBondContact O-N 2.99Å
430	A	91.1	Very high	84.5	Confident	31.5 Å²	31.5	47.5 Å²	47.5	26%	0.26	25%	0.247	S	C	.	.	H	α-helix	trans	-61.9	-40.8	177.7	0	0	0	0	0	112.5	I299 E426 Q428 K434	I299-A430 HydrophobicContact CD1-CB 3.93Å; I299-A430 HydrophobicContact CG1-CB 4.04Å; I299-A430 HydrophobicContact CG2-CB 4.37Å; E426-A430 WeakPolarHBondContact O-CB 3.46Å; E426-A430 PolarHBondContact O-N 2.88Å; Q428-A430 PolarHBondContact O-N 3.24Å; A430-K434 WeakPolarHBondContact O-CB 3.26Å; A430-K434 PolarHBondContact O-N 3.13Å; A430-K434 VanDerWaalsContact O-N 3.13Å
431	F	91.7	Very high	82.7	Confident	15 Å²	15	52.3 Å²	52.3	7%	0.066	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-51.5	177.2	-177.3	-93.6	0	0	0	112	V383 D385 R390 L392 C427 Q428 V429 K433 K434 L435	V383-F431 HydrophobicContact CB-CE1 4.4Å; V383-F431 HydrophobicContact CG1-CE1 3.97Å; D385-F431 HydrophobicContact CB-CE2 4.24Å; D385-F431 HydrophobicContact CB-CZ 3.78Å; R390-F431 HydrophobicContact CB-CE2 3.72Å; R390-F431 HydrophobicContact CB-CZ 4.47Å; L392-F431 HydrophobicContact CD1-CB 4.01Å; L392-F431 HydrophobicContact CD1-CD1 3.45Å; L392-F431 VanDerWaalsContact CD1-CD1 3.45Å; L392-F431 HydrophobicContact CD1-CE1 4.05Å; L392-F431 HydrophobicContact CD1-CG 3.78Å; L392-F431 HydrophobicContact CD2-CG 4.44Å; L392-F431 HydrophobicContact CG-CD1 3.72Å; L392-F431 HydrophobicContact CG-CD2 4.29Å; L392-F431 HydrophobicContact CG-CE1 3.9Å; L392-F431 HydrophobicContact CG-CE2 4.44Å; L392-F431 HydrophobicContact CG-CG 3.93Å; L392-F431 HydrophobicContact CG-CZ 4.27Å; C427-F431 VanDerWaalsContact O-CB 3.26Å; C427-F431 WeakPolarHBondContact O-CB 3.2Å; C427-F431 PolarHBondContact O-N 2.82Å; Q428-F431 PolarHBondContact O-N 3.08Å; V429-F431 VanDerWaalsContact C-N 3.34Å; V429-F431 PolarHBondContact O-N 2.77Å; F431-K433 VanDerWaalsContact C-N 3.34Å; F431-K433 PolarHBondContact O-N 2.79Å; F431-K434 WeakPolarHBondContact O-CA 3.42Å; F431-K434 VanDerWaalsContact O-CB 3.27Å; F431-K434 WeakPolarHBondContact O-CB 3.33Å; F431-K434 PolarHBondContact O-N 2.84Å; F431-L435 HydrophobicContact CD1-CD1 3.84Å; F431-L435 HydrophobicContact CE1-CD1 3.49Å; F431-L435 VanDerWaalsContact CE1-CD1 3.49Å; F431-L435 HydrophobicContact CE1-CG 4.45Å; F431-L435 HydrophobicContact CZ-CD1 4.17Å; F431-L435 PolarHBondContact O-N 2.98Å
432	M	87.9	Confident	80.7	Confident	19.5 Å²	19.5	53.9 Å²	53.9	10%	0.096	28%	0.284	C	S	.	.	H	α-helix	trans	-68.5	-33.6	-178.7	-62.7	177.2	76.6	0	0	112.3	Q428 V429 K434 L435 S436 Y445 Y448	Q428-M432 WeakPolarHBondContact O-CG 3.28Å; Q428-M432 PolarHBondContact O-N 3.04Å; V429-M432 PolarHBondContact O-N 2.62Å; M432-K434 PolarHBondContact O-N 2.9Å; M432-L435 PolarHBondContact O-N 3.24Å; M432-S436 PolarHBondContact O-N 3.09Å; M432-S436 PolarHBondContact O-OG 3.36Å; M432-Y445 HydrophobicContact CB-CD2 3.49Å; M432-Y445 HydrophobicContact CB-CE2 3.81Å; M432-Y445 HydrophobicContact CB-CG 4.28Å; M432-Y445 HydrophobicContact CE-CD2 4.22Å; M432-Y445 HydrophobicContact CG-CD2 4.23Å; M432-Y445 HydrophobicContact SD-CD2 3.91Å; M432-Y445 HydrophobicContact SD-CE2 4.25Å; M432-Y448 HydrophobicContact CE-CD1 3.55Å; M432-Y448 VanDerWaalsContact CE-CD1 3.47Å; M432-Y448 HydrophobicContact CE-CE1 4.07Å; M432-Y448 HydrophobicContact CE-CG 3.87Å; M432-Y448 HydrophobicContact SD-CD1 3.48Å; M432-Y448 VanDerWaalsContact SD-CD1 3.51Å; M432-Y448 WeakPolarHBondContact SD-CD1 3.23Å; M432-Y448 HydrophobicContact SD-CE1 3.45Å; M432-Y448 VanDerWaalsContact SD-CE1 3.58Å; M432-Y448 WeakPolarHBondContact SD-CE1 3.28Å; M432-Y448 HydrophobicContact SD-CG 4.33Å
433	K	86.6	Confident	78.6	Confident	121 Å²	121	60.8 Å²	60.8	53%	0.526	32%	0.317	S	S	.	.	H	α-helix	trans	-67.4	-14.4	170.3	-174.6	174.3	-179.2	176.3	0	113.6	V429 F431 K437 Y445	V429-K433 WeakPolarHBondContact O-CB 3.43Å; V429-K433 PolarHBondContact O-N 2.99Å; F431-K433 VanDerWaalsContact C-N 3.34Å; F431-K433 PolarHBondContact O-N 2.79Å; K433-K437 WeakPolarHBondContact O-CD 3.17Å; K433-K437 VanDerWaalsContact O-CE 3.26Å; K433-K437 WeakPolarHBondContact O-CE 3.34Å; K433-K437 WeakPolarHBondContact O-CG 3.47Å; K433-Y445 HydrophobicContact CB-CE2 4.22Å
434	K	86.3	Confident	76.7	Confident	67.5 Å²	67.5	64.7 Å²	64.7	29%	0.293	34%	0.34	S	S	.	.	H	α-helix	trans	-88.4	-42	171.5	-156	163.6	-171.8	161.9	0	110.7	E297 A430 F431 M432 K437 H438	E297-K434 IonicContact OE2-NZ 3.51Å; E297-K434 PolarHBondContact OE2-NZ 2.8Å; A430-K434 WeakPolarHBondContact O-CB 3.26Å; A430-K434 PolarHBondContact O-N 3.13Å; A430-K434 VanDerWaalsContact O-N 3.13Å; F431-K434 WeakPolarHBondContact O-CA 3.42Å; F431-K434 VanDerWaalsContact O-CB 3.27Å; F431-K434 WeakPolarHBondContact O-CB 3.33Å; F431-K434 PolarHBondContact O-N 2.84Å; M432-K434 PolarHBondContact O-N 2.9Å; K434-K437 PolarHBondContact O-N 2.89Å; K434-H438 PolarHBondContact O-CD2 3.01Å
435	L	83.8	Confident	75.1	Confident	12 Å²	12	65.4 Å²	65.4	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-60.3	-46.9	173.6	-125.7	115.3	0	0	0	112.7	V383 D385 F431 M432 K437 H438 D439 F441	V383-L435 HydrophobicContact CG1-CD2 3.73Å; D385-L435 HydrophobicContact CB-CD1 4.1Å; F431-L435 HydrophobicContact CD1-CD1 3.84Å; F431-L435 HydrophobicContact CE1-CD1 3.49Å; F431-L435 VanDerWaalsContact CE1-CD1 3.49Å; F431-L435 HydrophobicContact CE1-CG 4.45Å; F431-L435 HydrophobicContact CZ-CD1 4.17Å; F431-L435 PolarHBondContact O-N 2.98Å; M432-L435 PolarHBondContact O-N 3.24Å; L435-K437 PolarHBondContact O-N 3.16Å; L435-K437 VanDerWaalsContact O-N 3.12Å; L435-H438 PolarHBondContact O-N 2.96Å; L435-D439 PolarHBondContact O-N 2.97Å; L435-D439 VanDerWaalsContact O-N 3.08Å; L435-F441 HydrophobicContact CD2-CD2 4.34Å; L435-F441 HydrophobicContact CD2-CG 4.49Å; L435-F441 HydrophobicContact CG-CD2 4.33Å
436	S	73.8	Confident	73.5	Confident	40.5 Å²	40.5	65 Å²	65	28%	0.283	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.5	-177.2	62.8	0	0	0	0	115.1	M432 H438	M432-S436 PolarHBondContact O-N 3.09Å; M432-S436 PolarHBondContact O-OG 3.36Å; S436-H438 VanDerWaalsContact C-N 3.31Å
437	K	71	Confident	71.9	Confident	142.5 Å²	142.5	66.2 Å²	66.2	62%	0.62	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-16.8	169	-66.1	172	-177	174	0	113.3	K433 K434 L435	K433-K437 WeakPolarHBondContact O-CD 3.17Å; K433-K437 VanDerWaalsContact O-CE 3.26Å; K433-K437 WeakPolarHBondContact O-CE 3.34Å; K433-K437 WeakPolarHBondContact O-CG 3.47Å; K434-K437 PolarHBondContact O-N 2.89Å; L435-K437 PolarHBondContact O-N 3.16Å; L435-K437 VanDerWaalsContact O-N 3.12Å
438	H	61.2	Low	70.4	Confident	111.5 Å²	111.5	68.5 Å²	68.5	52%	0.516	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-22.4	-166.4	-72	-51.5	0	0	0	113.9	K387 K434 L435 S436	K387-H438 HydrophobicContact CD-CB 3.82Å; K387-H438 PolarHBondContact NZ-O 3.29Å; K434-H438 PolarHBondContact O-CD2 3.01Å; L435-H438 PolarHBondContact O-N 2.96Å; S436-H438 VanDerWaalsContact C-N 3.31Å
439	D	55.7	Low	68.9	Low	64.5 Å²	64.5	71 Å²	71	35%	0.345	37%	0.367	S	S	.	.	S	Bend	trans	-141.1	153.4	176.7	-62.6	-71.3	0	0	0	109.5	K387 L435 F441	K387-D439 IonicContact NZ-OD1 2.72Å; K387-D439 PolarHBondContact NZ-OD1 3.15Å; K387-D439 IonicContact NZ-OD2 3.18Å; K387-D439 PolarHBondContact NZ-OD2 2.86Å; L435-D439 PolarHBondContact O-N 2.97Å; L435-D439 VanDerWaalsContact O-N 3.08Å; D439-F441 HydrophobicContact CB-CD2 3.73Å; D439-F441 HydrophobicContact CB-CE2 4.12Å; D439-F441 PolarHBondContact O-N 2.89Å
440	S	50.8	Low	67.4	Low	129.5 Å²	129.5	75.5 Å²	75.5	91%	0.906	39%	0.386	S	S	*	.	S	Bend	trans	-70	25.2	-169.6	-53	0	0	0	0	116.2	G442	S440-G442 PolarHBondContact O-N 3.05Å
441	F	56.6	Low	65.7	Low	108 Å²	108	82.8 Å²	82.8	47%	0.474	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	5.4	179.5	-78.9	-91.2	0	0	0	114.8	L435 D439 Q443 V444 Y445	L435-F441 HydrophobicContact CD2-CD2 4.34Å; L435-F441 HydrophobicContact CD2-CG 4.49Å; L435-F441 HydrophobicContact CG-CD2 4.33Å; D439-F441 HydrophobicContact CB-CD2 3.73Å; D439-F441 HydrophobicContact CB-CE2 4.12Å; D439-F441 PolarHBondContact O-N 2.89Å; F441-Q443 VanDerWaalsContact C-N 3.29Å; F441-Q443 PolarHBondContact O-N 2.88Å; F441-Q443 VanDerWaalsContact O-N 3.16Å; F441-V444 HydrophobicContact CD1-CB 4.2Å; F441-V444 HydrophobicContact CD1-CG1 4.49Å; F441-V444 HydrophobicContact CD1-CG2 4.16Å; F441-V444 WeakPolarHBondContact O-CB 2.98Å; F441-V444 PolarHBondContact O-N 3.28Å; F441-Y445 PolarHBondContact O-N 3.16Å
442	G	53.9	Low	64	Low	32.5 Å²	32.5	83.8 Å²	83.8	34%	0.335	41%	0.412	S	S	.	.	H	α-helix	trans	-52.6	-41.7	-176.1	0	0	0	0	0	114.2	S440 Y445 E446	S440-G442 PolarHBondContact O-N 3.05Å; G442-Y445 PolarHBondContact O-N 3.15Å; G442-E446 WeakPolarHBondContact O-CG 3.2Å; G442-E446 PolarHBondContact O-N 3.21Å
443	Q	53.1	Low	62.5	Low	163.5 Å²	163.5	88.5 Å²	88.5	76%	0.764	43%	0.434	S	S	*	.	H	α-helix	trans	-68.3	-37.2	176.8	-66.3	177.6	-3.2	0	0	112.7	F441 Y445 E446 N447	F441-Q443 VanDerWaalsContact C-N 3.29Å; F441-Q443 PolarHBondContact O-N 2.88Å; F441-Q443 VanDerWaalsContact O-N 3.16Å; Q443-Y445 VanDerWaalsContact C-N 3.33Å; Q443-E446 PolarHBondContact O-N 2.8Å; Q443-N447 WeakPolarHBondContact O-CB 3.28Å; Q443-N447 PolarHBondContact O-N 3.09Å; Q443-N447 VanDerWaalsContact O-N 3.1Å; Q443-N447 PolarHBondContact O-ND2 3.25Å
444	V	55.5	Low	61	Low	82 Å²	82	88.5 Å²	88.5	50%	0.497	44%	0.436	S	S	.	.	H	α-helix	trans	-67.9	-37.9	176	-175.9	0	0	0	0	110.6	F441 Y448	F441-V444 HydrophobicContact CD1-CB 4.2Å; F441-V444 HydrophobicContact CD1-CG1 4.49Å; F441-V444 HydrophobicContact CD1-CG2 4.16Å; F441-V444 WeakPolarHBondContact O-CB 2.98Å; F441-V444 PolarHBondContact O-N 3.28Å; V444-Y448 VanDerWaalsContact O-CB 3.27Å; V444-Y448 WeakPolarHBondContact O-CB 3.17Å; V444-Y448 PolarHBondContact O-N 2.88Å
445	Y	58.3	Low	59.4	Low	31.5 Å²	31.5	89.1 Å²	89.1	12%	0.124	45%	0.446	C	S	.	.	H	α-helix	trans	-64.7	-45.9	175.4	174.6	-105.3	0	0	0	112.3	M432 K433 F441 G442 Q443 Y448 K449	M432-Y445 HydrophobicContact CB-CD2 3.49Å; M432-Y445 HydrophobicContact CB-CE2 3.81Å; M432-Y445 HydrophobicContact CB-CG 4.28Å; M432-Y445 HydrophobicContact CE-CD2 4.22Å; M432-Y445 HydrophobicContact CG-CD2 4.23Å; M432-Y445 HydrophobicContact SD-CD2 3.91Å; M432-Y445 HydrophobicContact SD-CE2 4.25Å; K433-Y445 HydrophobicContact CB-CE2 4.22Å; F441-Y445 PolarHBondContact O-N 3.16Å; G442-Y445 PolarHBondContact O-N 3.15Å; Q443-Y445 VanDerWaalsContact C-N 3.33Å; Y445-Y448 PolarHBondContact O-N 3.37Å; Y445-K449 HydrophobicContact CE1-CD 4.07Å; Y445-K449 WeakPolarHBondContact O-CB 3.41Å; Y445-K449 PolarHBondContact O-N 3.17Å
446	E	56.9	Low	57.8	Low	75 Å²	75	92.4 Å²	92.4	35%	0.35	46%	0.462	S	S	.	.	H	α-helix	trans	-65.5	-44.5	177.8	-67.1	-63.7	135.2	0	0	111.4	G442 Q443 Y448 K449 E450	G442-E446 WeakPolarHBondContact O-CG 3.2Å; G442-E446 PolarHBondContact O-N 3.21Å; Q443-E446 PolarHBondContact O-N 2.8Å; E446-Y448 VanDerWaalsContact C-N 3.31Å; E446-Y448 PolarHBondContact O-N 3.03Å; E446-K449 WeakPolarHBondContact O-CB 3.45Å; E446-K449 PolarHBondContact O-N 3.16Å; E446-K449 WeakPolarHBondContact OE1-CD 3.47Å; E446-K449 IonicContact OE1-NZ 3.21Å; E446-K449 PolarHBondContact OE1-NZ 3.27Å; E446-K449 IonicContact OE2-NZ 3.3Å; E446-K449 PolarHBondContact OE2-NZ 2.92Å; E446-E450 WeakPolarHBondContact O-CB 3.35Å; E446-E450 WeakPolarHBondContact O-CG 3.29Å; E446-E450 PolarHBondContact O-N 3.22Å
447	N	58	Low	56.7	Low	95.5 Å²	95.5	94.8 Å²	94.8	51%	0.511	48%	0.479	S	S	.	.	H	α-helix	trans	-59.4	-38.1	173.9	-69.7	-16.5	0	0	0	113.1	Q443 R451	Q443-N447 WeakPolarHBondContact O-CB 3.28Å; Q443-N447 PolarHBondContact O-N 3.09Å; Q443-N447 VanDerWaalsContact O-N 3.1Å; Q443-N447 PolarHBondContact O-ND2 3.25Å; N447-R451 WeakPolarHBondContact O-CG 3.26Å; N447-R451 PolarHBondContact O-N 3.14Å; N447-R451 VanDerWaalsContact O-N 3.16Å
448	Y	61.8	Low	55.8	Low	50.5 Å²	50.5	94.1 Å²	94.1	20%	0.198	48%	0.482	C	S	.	.	H	α-helix	trans	-71.1	-41.6	176.7	178.8	-102.6	0	0	0	111.8	Y394 Q428 M432 V444 Y445 E446 R451 L452	Y394-Y448 WeakPolarHBondContact CE1-OH 3.11Å; Y394-Y448 PolarHBondContact OH-OH 2.83Å; Q428-Y448 PolarHBondContact OE1-OH 3.14Å; M432-Y448 HydrophobicContact CE-CD1 3.55Å; M432-Y448 VanDerWaalsContact CE-CD1 3.47Å; M432-Y448 HydrophobicContact CE-CE1 4.07Å; M432-Y448 HydrophobicContact CE-CG 3.87Å; M432-Y448 HydrophobicContact SD-CD1 3.48Å; M432-Y448 VanDerWaalsContact SD-CD1 3.51Å; M432-Y448 WeakPolarHBondContact SD-CD1 3.23Å; M432-Y448 HydrophobicContact SD-CE1 3.45Å; M432-Y448 VanDerWaalsContact SD-CE1 3.58Å; M432-Y448 WeakPolarHBondContact SD-CE1 3.28Å; M432-Y448 HydrophobicContact SD-CG 4.33Å; V444-Y448 VanDerWaalsContact O-CB 3.27Å; V444-Y448 WeakPolarHBondContact O-CB 3.17Å; V444-Y448 PolarHBondContact O-N 2.88Å; Y445-Y448 PolarHBondContact O-N 3.37Å; E446-Y448 VanDerWaalsContact C-N 3.31Å; E446-Y448 PolarHBondContact O-N 3.03Å; Y448-R451 PolarHBondContact O-N 2.9Å; Y448-L452 HydrophobicContact CD1-CD1 4.02Å; Y448-L452 HydrophobicContact CD1-CG 4.31Å; Y448-L452 HydrophobicContact CE1-CD1 3.32Å; Y448-L452 HydrophobicContact CE1-CG 3.93Å; Y448-L452 HydrophobicContact CE2-CD1 4.38Å; Y448-L452 HydrophobicContact CE2-CD2 4.35Å; Y448-L452 HydrophobicContact CE2-CG 4.28Å; Y448-L452 WeakPolarHBondContact O-CB 3.25Å; Y448-L452 WeakPolarHBondContact O-CG 3.46Å; Y448-L452 PolarHBondContact O-N 3Å
449	K	61.4	Low	54.8	Low	70 Å²	70	93.8 Å²	93.8	30%	0.304	48%	0.483	S	S	.	.	H	α-helix	trans	-63.3	-42.4	175.7	169.3	-173.7	154.5	-144.9	0	111.7	Y445 E446 L452 Q453	Y445-K449 HydrophobicContact CE1-CD 4.07Å; Y445-K449 WeakPolarHBondContact O-CB 3.41Å; Y445-K449 PolarHBondContact O-N 3.17Å; E446-K449 WeakPolarHBondContact O-CB 3.45Å; E446-K449 PolarHBondContact O-N 3.16Å; E446-K449 WeakPolarHBondContact OE1-CD 3.47Å; E446-K449 IonicContact OE1-NZ 3.21Å; E446-K449 PolarHBondContact OE1-NZ 3.27Å; E446-K449 IonicContact OE2-NZ 3.3Å; E446-K449 PolarHBondContact OE2-NZ 2.92Å; K449-L452 PolarHBondContact O-N 2.92Å; K449-Q453 VanDerWaalsContact O-CB 3.26Å; K449-Q453 WeakPolarHBondContact O-CB 3.24Å; K449-Q453 PolarHBondContact O-N 2.94Å
450	E	59.2	Low	54	Low	122 Å²	122	96.7 Å²	96.7	57%	0.57	51%	0.506	S	S	*	.	H	α-helix	trans	-62.2	-50.8	174.9	-74.9	177.6	176.8	0	0	111.1	E446 L452 Q453 E454	E446-E450 WeakPolarHBondContact O-CB 3.35Å; E446-E450 WeakPolarHBondContact O-CG 3.29Å; E446-E450 PolarHBondContact O-N 3.22Å; E450-L452 VanDerWaalsContact C-N 3.34Å; E450-L452 PolarHBondContact O-N 2.98Å; E450-Q453 WeakPolarHBondContact O-CB 3.4Å; E450-Q453 PolarHBondContact O-N 2.9Å; E450-Q453 VanDerWaalsContact O-N 3.14Å; E450-E454 WeakPolarHBondContact O-CB 3.48Å; E450-E454 PolarHBondContact O-N 2.94Å
451	R	56.5	Low	53.5	Low	184.5 Å²	184.5	100.7 Å²	100.7	70%	0.696	50%	0.502	S	S	*	.	H	α-helix	trans	-60.4	-39.4	175.6	-74.1	179.8	176	-173.8	-1.6	113.3	N447 Y448 V455	N447-R451 WeakPolarHBondContact O-CG 3.26Å; N447-R451 PolarHBondContact O-N 3.14Å; N447-R451 VanDerWaalsContact O-N 3.16Å; Y448-R451 PolarHBondContact O-N 2.9Å; R451-V455 WeakPolarHBondContact O-CB 3.37Å; R451-V455 VanDerWaalsContact O-CG2 3.31Å; R451-V455 WeakPolarHBondContact O-CG2 3.35Å; R451-V455 PolarHBondContact O-N 2.91Å
452	L	55.3	Low	52.4	Low	36.5 Å²	36.5	99.1 Å²	99.1	19%	0.191	52%	0.517	C	S	.	.	H	α-helix	trans	-69.2	-37.8	174.3	-78.5	-165.5	0	0	0	112.3	Y425 Y448 K449 E450 E454 V455 L456	Y425-L452 HydrophobicContact CD2-CD1 4.03Å; Y425-L452 HydrophobicContact CE2-CB 4.35Å; Y425-L452 HydrophobicContact CE2-CD1 3.79Å; Y448-L452 HydrophobicContact CD1-CD1 4.02Å; Y448-L452 HydrophobicContact CD1-CG 4.31Å; Y448-L452 HydrophobicContact CE1-CD1 3.32Å; Y448-L452 HydrophobicContact CE1-CG 3.93Å; Y448-L452 HydrophobicContact CE2-CD1 4.38Å; Y448-L452 HydrophobicContact CE2-CD2 4.35Å; Y448-L452 HydrophobicContact CE2-CG 4.28Å; Y448-L452 WeakPolarHBondContact O-CB 3.25Å; Y448-L452 WeakPolarHBondContact O-CG 3.46Å; Y448-L452 PolarHBondContact O-N 3Å; K449-L452 PolarHBondContact O-N 2.92Å; E450-L452 VanDerWaalsContact C-N 3.34Å; E450-L452 PolarHBondContact O-N 2.98Å; L452-E454 VanDerWaalsContact C-N 3.3Å; L452-E454 PolarHBondContact O-N 3.01Å; L452-V455 PolarHBondContact O-N 3.15Å; L452-L456 VanDerWaalsContact O-CB 3.25Å; L452-L456 WeakPolarHBondContact O-CB 3.24Å; L452-L456 WeakPolarHBondContact O-CG 3.25Å; L452-L456 PolarHBondContact O-N 3.14Å
453	Q	57.4	Low	51.7	Low	117 Å²	117	100.9 Å²	100.9	55%	0.547	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-36.8	177.3	-167.8	116.2	39.7	0	0	111	K449 E450 S457	K449-Q453 VanDerWaalsContact O-CB 3.26Å; K449-Q453 WeakPolarHBondContact O-CB 3.24Å; K449-Q453 PolarHBondContact O-N 2.94Å; E450-Q453 WeakPolarHBondContact O-CB 3.4Å; E450-Q453 PolarHBondContact O-N 2.9Å; E450-Q453 VanDerWaalsContact O-N 3.14Å; Q453-S457 WeakPolarHBondContact O-CB 3.46Å; Q453-S457 PolarHBondContact O-N 3.45Å; Q453-S457 PolarHBondContact O-OG 3.18Å
454	E	54.5	Low	51.1	Low	121 Å²	121	99.2 Å²	99.2	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-63.1	-54.5	170.9	-172.7	171.6	-140.3	0	0	111.2	E450 L452 L456 S457 L458	E450-E454 WeakPolarHBondContact O-CB 3.48Å; E450-E454 PolarHBondContact O-N 2.94Å; L452-E454 VanDerWaalsContact C-N 3.3Å; L452-E454 PolarHBondContact O-N 3.01Å; E454-L456 VanDerWaalsContact C-N 3.33Å; E454-L456 PolarHBondContact O-N 3.34Å; E454-S457 WeakPolarHBondContact O-CB 3.34Å; E454-S457 PolarHBondContact O-N 3.09Å; E454-S457 PolarHBondContact O-OG 2.87Å; E454-L458 HydrophobicContact CG-CD1 4.31Å; E454-L458 WeakPolarHBondContact O-CG 3.39Å; E454-L458 PolarHBondContact O-N 3.04Å; E454-L458 VanDerWaalsContact O-N 3.14Å
455	V	52	Low	50.3	Low	82 Å²	82	101.9 Å²	101.9	50%	0.497	54%	0.535	S	S	.	.	H	α-helix	trans	-58.3	-41	177	169.3	0	0	0	0	112.5	R451 L452 S457 L458	R451-V455 WeakPolarHBondContact O-CB 3.37Å; R451-V455 VanDerWaalsContact O-CG2 3.31Å; R451-V455 WeakPolarHBondContact O-CG2 3.35Å; R451-V455 PolarHBondContact O-N 2.91Å; L452-V455 PolarHBondContact O-N 3.15Å; V455-S457 VanDerWaalsContact C-N 3.31Å; V455-S457 PolarHBondContact O-N 3.33Å; V455-L458 PolarHBondContact O-N 3.13Å
456	L	51.4	Low	49	Very low	79.5 Å²	79.5	104.8 Å²	104.8	42%	0.416	56%	0.557	S	S	.	*	H	α-helix	trans	-68.6	-30.6	176	-72.3	170.9	0	0	0	112.6	Y425 L452 E454 L458 L459	Y425-L456 HydrophobicContact CD1-CD1 4.5Å; Y425-L456 HydrophobicContact CD2-CD1 4.04Å; Y425-L456 HydrophobicContact CE1-CD1 4.01Å; Y425-L456 HydrophobicContact CE2-CD1 3.65Å; Y425-L456 VanDerWaalsContact CZ-CD1 3.49Å; L452-L456 VanDerWaalsContact O-CB 3.25Å; L452-L456 WeakPolarHBondContact O-CB 3.24Å; L452-L456 WeakPolarHBondContact O-CG 3.25Å; L452-L456 PolarHBondContact O-N 3.14Å; E454-L456 VanDerWaalsContact C-N 3.33Å; E454-L456 PolarHBondContact O-N 3.34Å; L456-L458 VanDerWaalsContact C-N 3.29Å; L456-L458 PolarHBondContact O-N 3.42Å; L456-L459 HydrophobicContact CD2-CD1 4.26Å; L456-L459 PolarHBondContact O-N 3.4Å
457	S	50.8	Low	47.9	Very low	92 Å²	92	111.9 Å²	111.9	64%	0.643	58%	0.582	S	S	*	*	H	α-helix	trans	-72.5	-21.5	174.4	76.5	0	0	0	0	113.5	Q453 E454 V455	Q453-S457 WeakPolarHBondContact O-CB 3.46Å; Q453-S457 PolarHBondContact O-N 3.45Å; Q453-S457 PolarHBondContact O-OG 3.18Å; E454-S457 WeakPolarHBondContact O-CB 3.34Å; E454-S457 PolarHBondContact O-N 3.09Å; E454-S457 PolarHBondContact O-OG 2.87Å; V455-S457 VanDerWaalsContact C-N 3.31Å; V455-S457 PolarHBondContact O-N 3.33Å
458	L	51.6	Low	47.1	Very low	127.5 Å²	127.5	114.8 Å²	114.8	67%	0.668	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-6.4	-179.5	-68.1	168.1	0	0	0	113.8	E454 V455 L456 P460	E454-L458 HydrophobicContact CG-CD1 4.31Å; E454-L458 WeakPolarHBondContact O-CG 3.39Å; E454-L458 PolarHBondContact O-N 3.04Å; E454-L458 VanDerWaalsContact O-N 3.14Å; V455-L458 PolarHBondContact O-N 3.13Å; L456-L458 VanDerWaalsContact C-N 3.29Å; L456-L458 PolarHBondContact O-N 3.42Å; L458-P460 WeakPolarHBondContact O-CD 3.3Å
459	L	39.9	Very low	45.7	Very low	105.5 Å²	105.5	114.9 Å²	114.9	55%	0.552	61%	0.614	S	S	*	*			trans	-84.8	119.8	-179.5	-75.8	171.7	0	0	0	112.3	L456 Y461	L456-L459 HydrophobicContact CD2-CD1 4.26Å; L456-L459 PolarHBondContact O-N 3.4Å; L459-Y461 PolarHBondContact O-N 3.09Å
460	P	40	Very low	44.3	Very low	124.5 Å²	124.5	119.8 Å²	119.8	81%	0.808	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	13	-176.5	-23.4	35.7	0	0	0	117.4	L458	L458-P460 WeakPolarHBondContact O-CD 3.3Å
461	Y	39.4	Very low	43	Very low	214 Å²	214	124.5 Å²	124.5	84%	0.839	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	22.7	-174.5	-88.6	-89.7	0	0	0	114.2	L459 S463	L459-Y461 PolarHBondContact O-N 3.09Å; Y461-S463 VanDerWaalsContact C-N 3.28Å; Y461-S463 PolarHBondContact O-N 2.89Å
462	G	34.5	Very low	41.8	Very low	75 Å²	75	124.2 Å²	124.2	77%	0.773	66%	0.663	S	S	*	*			trans	-67.8	77.1	177.8	0	0	0	0	0	114.4
463	S	38.6	Very low	40.5	Very low	69.5 Å²	69.5	133.4 Å²	133.4	49%	0.486	70%	0.695	S	S	.	*	T	Hydrogen-bonded Turn	trans	-151.6	6	173.5	-98.3	0	0	0	0	116.8	Y461 R877	Y461-S463 VanDerWaalsContact C-N 3.28Å; Y461-S463 PolarHBondContact O-N 2.89Å; S463-R877 PolarHBondContact O-NH1 3.09Å; S463-R877 PolarHBondContact O-NH2 3.45Å; S463-R877 PolarHBondContact OG-NH1 3.21Å; S463-R877 PolarHBondContact OG-NH2 3.42Å
464	V	39.7	Very low	39.1	Very low	129 Å²	129	137.5 Å²	137.5	78%	0.782	71%	0.707	S	S	*	*	S	Bend	trans	-121.8	23.4	-178.9	-106.7	0	0	0	0	115.3
465	I	40.3	Very low	38.1	Very low	138.5 Å²	138.5	141.1 Å²	141.1	71%	0.71	72%	0.721	S	S	*	*			trans	-134	91	164.6	-54.1	-179.7	0	0	0	110.5	L468	I465-L468 HydrophobicContact CG2-CB 4.44Å
466	P	30	Very low	37.1	Very low	91.5 Å²	91.5	139.9 Å²	139.9	59%	0.594	72%	0.724	S	S	*	*			trans	-71.1	165.1	147	32.7	-32.1	0	0	0	110.1
467	Y	33.7	Very low	36	Very low	224 Å²	224	143.5 Å²	143.5	88%	0.878	74%	0.744	S	S	*	*	S	Bend	trans	76.2	25.5	176.4	-50.8	-70.5	0	0	0	118.7
468	L	40.6	Very low	35	Very low	156 Å²	156	146.4 Å²	146.4	82%	0.817	75%	0.752	S	S	*	*	S	Bend	trans	-136.1	30.8	158.6	-113.4	158.9	0	0	0	114.2	I465	I465-L468 HydrophobicContact CG2-CB 4.44Å
469	G	32.9	Very low	34	Very low	54 Å²	54	148.9 Å²	148.9	56%	0.557	76%	0.761	S	S	*	*	S	Bend	trans	-107.5	-67.3	167.5	0	0	0	0	0	112.3	R471	G469-R471 VanDerWaalsContact C-N 3.27Å; G469-R471 PolarHBondContact O-N 3.35Å; G469-R471 VanDerWaalsContact O-N 3.08Å
470	D	32.8	Very low	33.6	Very low	173 Å²	173	155.1 Å²	155.1	93%	0.925	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	53.9	-167.9	-62.3	-65.7	0	0	0	115.5
471	R	31.3	Very low	33.1	Very low	220 Å²	220	155 Å²	155	83%	0.83	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.3	13.1	161.4	-135	174.6	-175.3	175.2	1.9	115.9	G469 R473	G469-R471 VanDerWaalsContact C-N 3.27Å; G469-R471 PolarHBondContact O-N 3.35Å; G469-R471 VanDerWaalsContact O-N 3.08Å; R471-R473 PolarHBondContact O-N 2.89Å
472	Q	31.6	Very low	32.6	Very low	179 Å²	179	152.7 Å²	152.7	84%	0.836	77%	0.766	S	S	*	*	S	Bend	trans	-101	19.8	175.8	-158	63.3	40.2	0	0	113.7
473	R	27.8	Very low	32.4	Very low	228 Å²	228	158 Å²	158	86%	0.86	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.8	42.3	176.5	-97.7	-177.8	-120.3	-158.1	4.7	116.8	R471	R471-R473 PolarHBondContact O-N 2.89Å
474	Y	27.6	Very low	31.9	Very low	204.5 Å²	204.5	159.3 Å²	159.3	80%	0.802	78%	0.783	S	S	*	*	S	Bend	trans	-162.7	95.9	159.1	-98.1	-59.6	0	0	0	110.9
475	F	32.9	Very low	31.5	Very low	196.5 Å²	196.5	158.9 Å²	158.9	86%	0.862	79%	0.786	S	S	*	*				-129.1	105.1	-113.8	-89.5	-80.3	0	0	0	108.6
476	G	31.3	Very low	31	Very low	55.5 Å²	55.5	155.3 Å²	155.3	57%	0.572	78%	0.783	S	S	*	*				8.3	121.2	99	0	0	0	0	0	108.3
477	D	28.9	Very low	31	Very low	155 Å²	155	158.6 Å²	158.6	83%	0.829	80%	0.796	S	S	*	*			trans	64.3	89.8	130.9	-62.7	-40.1	0	0	0	114.7
478	N	29	Very low	31.1	Very low	153 Å²	153	154.5 Å²	154.5	82%	0.818	79%	0.794	S	S	*	*			trans	-175	87.4	138.5	-93.1	-57.6	0	0	0	109.8
479	Q	31.7	Very low	30.7	Very low	180.5 Å²	180.5	156.1 Å²	156.1	84%	0.843	80%	0.795	S	S	*	*	S	Bend		-157.1	118	76.2	-83.8	165.7	33.3	0	0	110.8
480	R	29.9	Very low	30.6	Very low	236 Å²	236	163.7 Å²	163.7	89%	0.891	81%	0.813	S	S	*	*			trans	-156.3	87.9	145.3	-94.9	-175.2	-167.8	172.3	4.2	110.2	H482	R480-H482 PolarHBondContact O-N 3.17Å
481	D	30.1	Very low	30.5	Very low	122 Å²	122	159.4 Å²	159.4	65%	0.652	80%	0.796	S	S	*	*			trans	-3.7	102.1	144	-55.1	-61.1	0	0	0	114.4	F483	D481-F483 HydrophobicContact CB-CD2 4.14Å; D481-F483 HydrophobicContact CB-CE2 4.39Å; D481-F483 PolarHBondContact O-N 2.9Å
482	H	29.6	Very low	30.5	Very low	166.5 Å²	166.5	159.5 Å²	159.5	77%	0.771	80%	0.798	S	S	*	*			trans	-34.9	103.4	135.1	-66.5	-55	0	0	0	113.9	R480 A484	R480-H482 PolarHBondContact O-N 3.17Å; H482-A484 PolarHBondContact O-N 3.05Å
483	F	29	Very low	30.5	Very low	185.5 Å²	185.5	160.8 Å²	160.8	81%	0.814	80%	0.795	S	S	*	*				-110.3	148.8	100.5	-80.3	-86.2	0	0	0	109.2	D481 S485	D481-F483 HydrophobicContact CB-CD2 4.14Å; D481-F483 HydrophobicContact CB-CE2 4.39Å; D481-F483 PolarHBondContact O-N 2.9Å; F483-S485 PolarHBondContact O-N 2.61Å
484	A	29.8	Very low	30.5	Very low	96.5 Å²	96.5	160.7 Å²	160.7	80%	0.798	80%	0.795	S	S	*	*				-114.9	108.8	82.8	0	0	0	0	0	111.4	H482 G486	H482-A484 PolarHBondContact O-N 3.05Å; A484-G486 PolarHBondContact O-N 2.77Å
485	S	30.3	Very low	30.7	Very low	121.5 Å²	121.5	155.1 Å²	155.1	85%	0.85	79%	0.785	S	S	*	*			trans	-40.9	119.3	157	-167.5	0	0	0	0	113.8	F483	F483-S485 PolarHBondContact O-N 2.61Å
486	G	30.1	Very low	30.6	Very low	62 Å²	62	153 Å²	153	64%	0.639	78%	0.783	S	S	*	*			trans	-124.9	104.8	175.9	0	0	0	0	0	115.5	A484 T488	A484-G486 PolarHBondContact O-N 2.77Å; G486-T488 PolarHBondContact O-N 3.41Å
487	N	30.5	Very low	30.5	Very low	161.5 Å²	161.5	155.2 Å²	155.2	86%	0.864	79%	0.789	S	S	*	*			trans	27.4	123.7	166.5	-56	-33	0	0	0	116.5
488	T	35.1	Very low	30.7	Very low	138.5 Å²	138.5	154.1 Å²	154.1	85%	0.85	78%	0.782	S	S	*	*				-143.6	140.6	84	33.9	0	0	0	0	112.4	G486 F490	G486-T488 PolarHBondContact O-N 3.41Å; T488-F490 PolarHBondContact O-N 3.01Å
489	K	33.5	Very low	30.7	Very low	190 Å²	190	156.4 Å²	156.4	83%	0.826	78%	0.78	S	S	*	*			trans	-31.3	116.9	162.6	-58.6	170.4	-178	169.9	0	113.6
490	F	30.4	Very low	30.6	Very low	213.5 Å²	213.5	152 Å²	152	94%	0.936	77%	0.769	S	S	*	*				-141	129.3	119.7	-112.6	-79.1	0	0	0	109.2	T488	T488-F490 PolarHBondContact O-N 3.01Å
491	S	29.5	Very low	30.9	Very low	82.5 Å²	82.5	145.7 Å²	145.7	58%	0.577	76%	0.761	S	S	*	*			trans	-147.2	106.3	-171	63.6	0	0	0	0	113.2
492	Y	32.9	Very low	31.2	Very low	222.5 Å²	222.5	145.3 Å²	145.3	87%	0.873	77%	0.765	S	S	*	*			trans	-118.5	112.7	143.4	-84.4	-91.5	0	0	0	105.6
493	R	30.4	Very low	31.2	Very low	205.5 Å²	205.5	143.1 Å²	143.1	78%	0.775	76%	0.763	S	S	*	*			cis	64.9	92.2	44.6	-91.8	-124.2	-167	-149.6	2.7	111.3
494	R	28.5	Very low	31.4	Very low	226 Å²	226	140.5 Å²	140.5	85%	0.853	76%	0.757	S	S	*	*				123	123.1	115.8	-79.2	175.2	-174.2	-168.5	1.6	109.6
495	S	31.2	Very low	31.7	Very low	86 Å²	86	143.5 Å²	143.5	60%	0.601	76%	0.755	S	S	*	*				142.1	134.6	61.1	14.4	0	0	0	0	111.4
496	N	30.2	Very low	31.8	Very low	152 Å²	152	141 Å²	141	81%	0.813	74%	0.737	S	S	*	*				57.7	125.7	114.7	-78.4	4.9	0	0	0	116.5
497	C	29.3	Very low	32.2	Very low	103 Å²	103	143.8 Å²	143.8	70%	0.696	74%	0.742	S	S	*	*				-148.4	116.5	-114.7	-85.1	0	0	0	0	109.7	R499	C497-R499 PolarHBondContact O-N 3.4Å
498	L	33.8	Very low	32.5	Very low	131.5 Å²	131.5	143.9 Å²	143.9	69%	0.688	73%	0.734	S	S	*	*			trans	9.8	101.4	152.4	-67.5	177.4	0	0	0	114.2	N1161 S1162	L498-N1161 VanDerWaalsContact C-CB 3.47Å; L498-N1161 VanDerWaalsContact C-OD1 3.25Å; L498-N1161 CarbonylContact O-C 2.92Å; L498-N1161 WeakPolarHBondContact O-CA 3.37Å; L498-N1161 WeakPolarHBondContact O-CB 3.32Å; L498-N1161 PolarHBondContact O-OD1 3.38Å; L498-S1162 VanDerWaalsContact O-CB 3.28Å; L498-S1162 WeakPolarHBondContact O-CB 3.4Å; L498-S1162 PolarHBondContact O-N 3.02Å; L498-S1162 PolarHBondContact O-OG 3.44Å
499	R	28.9	Very low	32.5	Very low	202 Å²	202	146.1 Å²	146.1	76%	0.762	73%	0.728	S	S	*	*			trans	123.6	128.7	136.3	-84	168	171.8	-106.7	-3.6	118.3	C497 N1161 S1162	C497-R499 PolarHBondContact O-N 3.4Å; R499-N1161 VanDerWaalsContact N-CG 3.35Å; R499-N1161 PolarHBondContact N-OD1 3.05Å; R499-N1161 CarbonylContact O-C 3.56Å; R499-N1161 PolarHBondContact O-OD1 3.13Å; R499-N1161 VanDerWaalsContact O-OD1 3.07Å; R499-S1162 WeakPolarHBondContact O-CB 3.49Å; R499-S1162 PolarHBondContact O-N 2.8Å
500	S	29.1	Very low	32.6	Very low	88.5 Å²	88.5	143.5 Å²	143.5	62%	0.619	72%	0.719	S	S	*	*				116.6	127.7	55.2	56.3	0	0	0	0	118.8
501	S	35.7	Very low	32.9	Very low	103.5 Å²	103.5	140.7 Å²	140.7	72%	0.724	71%	0.709	S	S	*	*			trans	64.4	162.7	141.4	166.2	0	0	0	0	118.7	V503	S501-V503 PolarHBondContact OG-N 2.81Å
502	P	36.4	Very low	33.2	Very low	113.5 Å²	113.5	141.2 Å²	141.2	74%	0.737	71%	0.713	S	S	*	*			cis	-116	171.3	23	10.9	12.1	0	0	0	113.2
503	V	31.3	Very low	33.4	Very low	120.5 Å²	120.5	135.1 Å²	135.1	73%	0.73	70%	0.702	S	S	*	*				68.5	115.9	109.7	-171.9	0	0	0	0	114	S501	S501-V503 PolarHBondContact OG-N 2.81Å
504	D	32.8	Very low	33.6	Very low	129 Å²	129	131.7 Å²	131.7	69%	0.69	70%	0.7	S	S	*	*			cis	-152.2	-156.4	-10.1	-131.9	-46.3	0	0	0	108.2
505	H	35.6	Very low	33.9	Very low	160.5 Å²	160.5	128.7 Å²	128.7	74%	0.743	69%	0.693	S	S	*	*			cis	-150.6	169.9	9.8	-156.9	42.9	0	0	0	109.9
506	S	33	Very low	34.1	Very low	70 Å²	70	130.4 Å²	130.4	49%	0.49	70%	0.7	S	S	.	*				-96.4	168.8	83.1	-142	0	0	0	0	110.6
507	V	38.4	Very low	34.2	Very low	120.5 Å²	120.5	134 Å²	134	73%	0.73	70%	0.702	S	S	*	*			cis	-138.4	150	22.4	-175.8	0	0	0	0	111.8
508	K	37.2	Very low	34.3	Very low	162.5 Å²	162.5	134.9 Å²	134.9	71%	0.707	71%	0.708	S	S	*	*			trans	-14.5	145.6	153.1	-41.3	170.2	-173.3	177.1	0	115.9
509	Y	34.4	Very low	34.3	Very low	185 Å²	185	132 Å²	132	73%	0.725	71%	0.709	S	S	*	*			cis	-142.1	141.8	38	-108.7	-97.6	0	0	0	112.3
510	E	36.3	Very low	34.4	Very low	135.5 Å²	135.5	127.7 Å²	127.7	63%	0.633	71%	0.711	S	S	*	*				41.7	133.7	125.4	-67.3	-152.6	120.9	0	0	119.8
511	Q	36	Very low	34.5	Very low	154.5 Å²	154.5	128.5 Å²	128.5	72%	0.722	72%	0.716	S	S	*	*			cis	151.1	139.6	40.4	-88.2	-172.8	49.3	0	0	111.4
512	S	35.4	Very low	34.4	Very low	94 Å²	94	130 Å²	130	66%	0.657	72%	0.721	S	S	*	*			cis	119.9	142.4	31.1	157.7	0	0	0	0	109.3
513	S	36.4	Very low	34.4	Very low	93 Å²	93	129.5 Å²	129.5	65%	0.65	72%	0.72	S	S	*	*			cis	168.1	174.8	28.7	63	0	0	0	0	108.3
514	N	35.5	Very low	34.9	Very low	135.5 Å²	135.5	129.2 Å²	129.2	73%	0.725	72%	0.72	S	S	*	*				128.2	162.5	-107.5	-83.8	-33.7	0	0	0	113.2
515	K	35.4	Very low	34.8	Very low	162.5 Å²	162.5	130.8 Å²	130.8	71%	0.707	72%	0.723	S	S	*	*			cis	175.2	131.9	-21.4	176.4	178.5	174.5	-178.2	0	110.6
516	T	34.6	Very low	34.6	Very low	121.5 Å²	121.5	128.9 Å²	128.9	75%	0.745	72%	0.715	S	S	*	*			trans	60.6	166	163.4	57.7	0	0	0	0	116.6
517	R	33.7	Very low	34.6	Very low	227.5 Å²	227.5	135 Å²	135	86%	0.858	73%	0.727	S	S	*	*			cis	-146.8	162.5	23	-120.8	-175.9	170.2	164.1	-1.9	111.1
518	C	29.8	Very low	34.4	Very low	122 Å²	122	132.7 Å²	132.7	82%	0.824	72%	0.717	S	S	*	*			trans	2.6	148.9	138.4	-43.3	0	0	0	0	114.2
519	G	33.6	Very low	34.4	Very low	69.5 Å²	69.5	132.6 Å²	132.6	72%	0.716	72%	0.718	S	S	*	*				-156.1	163.4	87.3	0	0	0	0	0	111.6
520	S	32.2	Very low	34.5	Very low	113.5 Å²	113.5	131.8 Å²	131.8	79%	0.794	72%	0.721	S	S	*	*				-16.3	150.9	123.7	-57.6	0	0	0	0	112.2
521	S	31.2	Very low	34.5	Very low	105 Å²	105	129.6 Å²	129.6	73%	0.734	72%	0.721	S	S	*	*				124	162.8	75	47.4	0	0	0	0	116.1
522	V	32.9	Very low	34.7	Very low	135 Å²	135	126.8 Å²	126.8	82%	0.818	72%	0.718	S	S	*	*			trans	78.5	133.4	151.6	170.4	0	0	0	0	117.4
523	S	37.4	Very low	34.8	Very low	103 Å²	103	128.3 Å²	128.3	72%	0.72	72%	0.719	S	S	*	*				-115.4	167.4	-105.1	63.1	0	0	0	0	111.3
524	P	40.2	Very low	34.9	Very low	113 Å²	113	133.3 Å²	133.3	73%	0.734	72%	0.724	S	S	*	*			trans	-136.4	175.6	151.8	43	-30.6	0	0	0	116.8
525	H	32.2	Very low	35	Very low	163 Å²	163	136.8 Å²	136.8	76%	0.755	73%	0.727	S	S	*	*			trans	108	138.1	137.1	-103.6	-88.7	0	0	0	116.1
526	E	31.8	Very low	34.9	Very low	120.5 Å²	120.5	138.7 Å²	138.7	56%	0.563	73%	0.729	S	S	*	*				72.1	132.2	118.5	-68.3	-137.5	126.9	0	0	118.2
527	R	32.9	Very low	34.8	Very low	198 Å²	198	137.9 Å²	137.9	75%	0.747	72%	0.724	S	S	*	*				131	160.6	67.7	-87.7	-175.8	-156.2	172.6	20.5	112.8
528	S	33	Very low	34.6	Very low	73.5 Å²	73.5	135.1 Å²	135.1	51%	0.514	72%	0.719	S	S	.	*			cis	-177	159.3	-12.9	49.1	0	0	0	0	109.9
529	H	38.1	Very low	34.7	Very low	160.5 Å²	160.5	136.8 Å²	136.8	74%	0.743	72%	0.718	S	S	*	*			trans	68.1	160.1	160.8	-56.6	-43.2	0	0	0	115.8
530	Q	35.4	Very low	34.5	Very low	166.5 Å²	166.5	139.4 Å²	139.4	78%	0.778	72%	0.72	S	S	*	*			cis	-165.5	166.7	-16.4	-105.9	171.9	55.7	0	0	105.5
531	S	37.1	Very low	34.5	Very low	90 Å²	90	138.7 Å²	138.7	63%	0.629	72%	0.715	S	S	*	*			cis	-172	164.4	-15	176.9	0	0	0	0	107.8
532	S	39.9	Very low	34.5	Very low	96 Å²	96	136.8 Å²	136.8	67%	0.671	70%	0.702	S	S	*	*			trans	66.4	155.1	152.4	-16.8	0	0	0	0	118.2
533	D	38.2	Very low	34.9	Very low	125 Å²	125	135.4 Å²	135.4	67%	0.668	70%	0.695	S	S	*	*			cis	-163.7	175.7	-13.9	-119.1	-52.1	0	0	0	109.2
534	R	37.7	Very low	34.7	Very low	199 Å²	199	136.7 Å²	136.7	75%	0.751	69%	0.694	S	S	*	*				147.7	118.9	87.4	-97.7	168.5	-157.8	-171.4	5.4	115.7
535	R	36.8	Very low	34.3	Very low	209 Å²	209	138.7 Å²	138.7	79%	0.789	70%	0.699	S	S	*	*				48.4	134.4	129.8	-68.8	-179.9	-165.7	-161.4	0	119.3
536	R	33.7	Very low	34.2	Very low	202 Å²	202	135.6 Å²	135.6	76%	0.762	70%	0.696	S	S	*	*			cis	150.9	117.6	28.9	-137.4	-145.7	-176.7	178.9	0.9	110.3
537	T	33.5	Very low	34.2	Very low	104 Å²	104	138.8 Å²	138.8	64%	0.638	71%	0.708	S	S	*	*				129.8	147.6	96.9	52.2	0	0	0	0	112.5
538	F	29.8	Very low	34.1	Very low	170 Å²	170	136.8 Å²	136.8	75%	0.746	71%	0.71	S	S	*	*				-70.3	-178.8	81.6	-49.2	-80.3	0	0	0	113.9
539	I	32.3	Very low	34	Very low	157.5 Å²	157.5	138.5 Å²	138.5	81%	0.808	72%	0.722	S	S	*	*			cis	-150.9	-179.2	22.6	-111.5	165.3	0	0	0	111.2
540	T	29	Very low	33.8	Very low	122.5 Å²	122.5	133.9 Å²	133.9	75%	0.752	72%	0.719	S	S	*	*			trans	-109	163.5	177.8	54.9	0	0	0	0	112.1
541	S	31.3	Very low	33.6	Very low	99.5 Å²	99.5	132.2 Å²	132.2	70%	0.696	72%	0.715	S	S	*	*				-165.6	155.5	85.5	34.4	0	0	0	0	112.1
542	S	32.4	Very low	33.2	Very low	66 Å²	66	139.4 Å²	139.4	46%	0.462	73%	0.728	S	S	.	*			trans	-55.5	164.6	158.4	-124.5	0	0	0	0	112.4	N570	S542-N570 PolarHBondContact N-O 3.35Å
543	P	41	Very low	32.8	Very low	104 Å²	104	140.3 Å²	140.3	68%	0.675	72%	0.724	S	S	*	*				-150.4	164.2	64.2	41.6	-22.2	0	0	0	118.8
544	D	32.9	Very low	32.3	Very low	130.5 Å²	130.5	139.4 Å²	139.4	70%	0.698	73%	0.728	S	S	*	*			trans	34.8	156.6	130	-43.1	-30.4	0	0	0	124.8	K569	D544-K569 IonicContact OD1-NZ 2.81Å; D544-K569 PolarHBondContact OD1-NZ 2.75Å
545	D	30.7	Very low	32	Very low	155 Å²	155	134.9 Å²	134.9	83%	0.829	73%	0.727	S	S	*	*			trans	13.9	113.1	163.1	-73.8	-51.6	0	0	0	121
546	S	31.6	Very low	31.8	Very low	99 Å²	99	132.9 Å²	132.9	69%	0.692	73%	0.726	S	S	*	*				142.1	148.7	112.2	61.3	0	0	0	0	119.5
547	K	31	Very low	31.7	Very low	186.5 Å²	186.5	126.8 Å²	126.8	81%	0.811	71%	0.714	S	S	*	*			trans	60.7	113.2	147.9	-64.2	172.3	-176.5	172.3	0	120.5
548	I	30.5	Very low	31.6	Very low	156.5 Å²	156.5	127 Å²	127	80%	0.803	71%	0.711	S	S	*	*			trans	127.8	117.3	137.3	-77	157.5	0	0	0	110.4
549	S	31.8	Very low	31.8	Very low	109 Å²	109	127.8 Å²	127.8	76%	0.762	71%	0.71	S	S	*	*			cis	133.6	133	28.5	65.5	0	0	0	0	111.2
550	G	33.4	Very low	31.8	Very low	65 Å²	65	126.9 Å²	126.9	67%	0.67	71%	0.706	S	S	*	*			trans	102.7	133	133.9	0	0	0	0	0	113.9
551	N	31.4	Very low	32.1	Very low	130 Å²	130	125.4 Å²	125.4	70%	0.695	70%	0.701	S	S	*	*				125.3	127.9	69.1	-74.1	-9.6	0	0	0	113.4	I553	N551-I553 HydrophobicContact CB-CB 4.31Å; N551-I553 HydrophobicContact CB-CD1 3.98Å; N551-I553 HydrophobicContact CB-CG1 3.87Å; N551-I553 PolarHBondContact O-N 3.23Å; N551-I553 VanDerWaalsContact O-N 3.16Å
552	W	28.9	Very low	32.6	Very low	242 Å²	242	127 Å²	127	92%	0.917	70%	0.697	S	S	*	*				-122.1	119.6	70.8	-100.5	32.3	0	0	0	110.5
553	I	30.4	Very low	32.9	Very low	114.5 Å²	114.5	132.1 Å²	132.1	59%	0.587	71%	0.713	S	S	*	*			trans	-19.4	121.6	154	-67.1	175.2	0	0	0	113.4	N551 S555	N551-I553 HydrophobicContact CB-CB 4.31Å; N551-I553 HydrophobicContact CB-CD1 3.98Å; N551-I553 HydrophobicContact CB-CG1 3.87Å; N551-I553 PolarHBondContact O-N 3.23Å; N551-I553 VanDerWaalsContact O-N 3.16Å; I553-S555 PolarHBondContact O-N 3.07Å; I553-S555 PolarHBondContact O-OG 2.9Å
554	S	28.4	Very low	32.6	Very low	106.5 Å²	106.5	130 Å²	130	75%	0.745	71%	0.711	S	S	*	*				16.3	131.4	127.7	-52.9	0	0	0	0	113.1
555	S	30.7	Very low	32.9	Very low	103.5 Å²	103.5	133.2 Å²	133.2	72%	0.724	72%	0.718	S	S	*	*				-131.7	108	105.3	-70.7	0	0	0	0	113.1	I553 S557	I553-S555 PolarHBondContact O-N 3.07Å; I553-S555 PolarHBondContact O-OG 2.9Å; S555-S557 PolarHBondContact O-N 3.3Å
556	H	34	Very low	33.2	Very low	167 Å²	167	130.5 Å²	130.5	77%	0.773	71%	0.711	S	S	*	*			trans	-2.6	136.4	143.9	-76.3	-65.8	0	0	0	116.2
557	S	31.6	Very low	33.5	Very low	74 Å²	74	131.9 Å²	131.9	52%	0.517	71%	0.711	S	S	.	*				122.3	168	74.5	68.7	0	0	0	0	114.2	S555	S555-S557 PolarHBondContact O-N 3.3Å
558	N	31.4	Very low	33.8	Very low	107.5 Å²	107.5	127.9 Å²	127.9	58%	0.575	70%	0.702	S	S	*	*				148.6	149.9	83.9	-85.5	-37.5	0	0	0	115.8
559	R	33.2	Very low	34	Very low	188.5 Å²	188.5	127.7 Å²	127.7	71%	0.711	70%	0.696	S	S	*	*				109.2	137.5	60.5	-92	174.3	-117	-173.9	0.2	115.6
560	N	32.6	Very low	33.8	Very low	138 Å²	138	128.2 Å²	128.2	74%	0.738	69%	0.69	S	S	*	*			trans	122	158.7	132	-80.2	-2.3	0	0	0	113
561	S	35.1	Very low	33.8	Very low	90.5 Å²	90.5	129.6 Å²	129.6	63%	0.633	69%	0.685	S	S	*	*			cis	-155.2	160.5	-1.4	115.9	0	0	0	0	109.5
562	H	40.9	Very low	33.9	Very low	134 Å²	134	131.2 Å²	131.2	62%	0.62	69%	0.688	S	S	*	*				-77.1	160.2	80.4	-74.9	-74.6	0	0	0	114
563	H	39.6	Very low	34	Very low	173 Å²	173	123.9 Å²	123.9	80%	0.801	68%	0.675	S	S	*	*				127.7	151.7	76.4	-79	-37.4	0	0	0	113.1
564	G	35.2	Very low	34.2	Very low	60.5 Å²	60.5	126.1 Å²	126.1	62%	0.624	68%	0.682	S	S	*	*			cis	154	155.3	-9.8	0	0	0	0	0	113.6
565	K	38.8	Very low	34.5	Very low	196 Å²	196	125.7 Å²	125.7	85%	0.852	67%	0.672	S	S	*	*			trans	70.5	148.9	170.7	-52.4	-178.1	178.7	-178	0	115.6
566	S	36.8	Very low	34.7	Very low	98.5 Å²	98.5	130.6 Å²	130.6	69%	0.689	68%	0.675	S	S	*	*				151.4	130.9	60	61.9	0	0	0	0	115.1
567	D	36.8	Very low	34.7	Very low	129 Å²	129	127 Å²	127	69%	0.69	67%	0.668	S	S	*	*			cis	-163.6	142.5	-30.7	-107	-33.4	0	0	0	110.1
568	T	37.9	Very low	34.6	Very low	102 Å²	102	128.5 Å²	128.5	63%	0.626	68%	0.678	S	S	*	*			trans	55.8	157.3	143.3	68.7	0	0	0	0	122.8
569	K	34.2	Very low	34.7	Very low	153.5 Å²	153.5	129.2 Å²	129.2	67%	0.667	69%	0.687	S	S	*	*				142.7	138.6	66.5	-85.5	150.3	-169.7	168.5	0	111.5	D544	D544-K569 IonicContact OD1-NZ 2.81Å; D544-K569 PolarHBondContact OD1-NZ 2.75Å
570	N	28.6	Very low	34.5	Very low	119.5 Å²	119.5	127.6 Å²	127.6	64%	0.639	69%	0.691	S	S	*	*				81.8	118	52.7	-149.8	52	0	0	0	113.8	S542	S542-N570 PolarHBondContact N-O 3.35Å
571	V	34.2	Very low	34.5	Very low	93 Å²	93	125.4 Å²	125.4	56%	0.564	69%	0.686	S	S	*	*				-157.7	136.7	88	120.2	0	0	0	0	108
572	Q	32.8	Very low	34.3	Very low	163.5 Å²	163.5	128.7 Å²	128.7	76%	0.764	69%	0.692	S	S	*	*				76.6	165.3	107	-86.9	163.6	-5.7	0	0	116.3
573	S	31.2	Very low	33.7	Very low	90 Å²	90	132.9 Å²	132.9	63%	0.629	70%	0.702	S	S	*	*				138.5	160.1	-89.9	-111.6	0	0	0	0	113.2
574	E	34.1	Very low	33.2	Very low	160.5 Å²	160.5	132.5 Å²	132.5	75%	0.75	70%	0.698	S	S	*	*				121.9	154.3	62.3	-97.6	157.3	-154	0	0	113.1
575	D	34.3	Very low	33	Very low	98.5 Å²	98.5	135.5 Å²	135.5	53%	0.527	70%	0.696	S	S	.	*			cis	-159.7	166.6	-13.3	-149.4	-15.2	0	0	0	110.7
576	R	35.6	Very low	32.6	Very low	205.5 Å²	205.5	133.9 Å²	133.9	78%	0.775	69%	0.691	S	S	*	*			trans	59.6	152.6	154.9	-73.7	160.5	-137	-167.8	12.7	119.1
577	S	33.8	Very low	32.2	Very low	92 Å²	92	136.5 Å²	136.5	64%	0.643	69%	0.692	S	S	*	*			cis	-171.2	143.8	-17.2	49	0	0	0	0	111.3
578	S	30	Very low	31.8	Very low	104 Å²	104	135.6 Å²	135.6	73%	0.727	69%	0.687	S	S	*	*			trans	49.6	149.8	141.3	67.4	0	0	0	0	122
579	V	33.4	Very low	31.4	Very low	123.5 Å²	123.5	139.4 Å²	139.4	75%	0.748	70%	0.698	S	S	*	*				137.4	112	107.7	-178.7	0	0	0	0	110.4
580	L	29.3	Very low	31.4	Very low	155 Å²	155	138.3 Å²	138.3	81%	0.812	70%	0.698	S	S	*	*				76.6	143.1	69.7	-155.2	80.3	0	0	0	115
581	S	31.4	Very low	31.6	Very low	90.5 Å²	90.5	138.6 Å²	138.6	63%	0.633	71%	0.707	S	S	*	*			trans	81	126.3	163.2	80	0	0	0	0	119.7
582	H	31.5	Very low	31.4	Very low	161.5 Å²	161.5	140.6 Å²	140.6	75%	0.748	71%	0.713	S	S	*	*			cis	126.8	141.7	47.2	-83.5	-36.4	0	0	0	117.9
583	R	29.1	Very low	31.3	Very low	220.5 Å²	220.5	141.4 Å²	141.4	83%	0.832	71%	0.714	S	S	*	*			trans	72.9	132.1	144.7	-74.3	176	-179.8	-169.6	2.2	118.8
584	K	28.8	Very low	31.4	Very low	165.5 Å²	165.5	144.1 Å²	144.1	72%	0.72	72%	0.72	S	S	*	*				131.8	160.7	58	-103.5	-176.2	165	-157	0	115.6
585	H	30.4	Very low	31.2	Very low	124.5 Å²	124.5	145.7 Å²	145.7	58%	0.576	73%	0.725	S	S	*	*			trans	72.1	118.5	169.1	-62.5	-69.4	0	0	0	115.2
586	Q	29.7	Very low	30.9	Very low	161.5 Å²	161.5	146.4 Å²	146.4	76%	0.755	74%	0.737	S	S	*	*				85.4	137.1	67.7	-79.8	-179.5	-22.8	0	0	113.4
587	H	29	Very low	30.5	Very low	154 Å²	154	140.5 Å²	140.5	71%	0.713	73%	0.727	S	S	*	*				142.4	143.3	76.6	-137.9	-102	0	0	0	115.1
588	N	28.8	Very low	30.1	Very low	110 Å²	110	145.4 Å²	145.4	59%	0.588	73%	0.732	S	S	*	*			trans	53.4	123.4	157.9	-61.6	-12.2	0	0	0	118.4
589	Q	29.3	Very low	29.9	Very low	180 Å²	180	149.6 Å²	149.6	84%	0.841	73%	0.733	S	S	*	*				134.4	140.9	86.3	-85.5	165.8	100.4	0	0	113.1
590	I	33.2	Very low	29.6	Very low	130.5 Å²	130.5	149.1 Å²	149.1	67%	0.669	73%	0.726	S	S	*	*				-123.5	136.8	106.5	-57.6	163.8	0	0	0	110.1	I592	I590-I592 HydrophobicContact CB-CG1 4.18Å; I590-I592 HydrophobicContact CG2-CB 4.13Å; I590-I592 HydrophobicContact CG2-CD1 3.66Å; I590-I592 HydrophobicContact CG2-CG1 3.81Å; I590-I592 PolarHBondContact O-N 2.97Å; I590-I592 VanDerWaalsContact O-N 3.13Å
591	P	33	Very low	29.6	Very low	127.5 Å²	127.5	145.8 Å²	145.8	83%	0.828	72%	0.715	S	S	*	*			trans	-95.2	96.5	166.6	33.1	-27.4	0	0	0	111.9
592	I	30.4	Very low	29.6	Very low	134 Å²	134	149.3 Å²	149.3	69%	0.687	72%	0.722	S	S	*	*			trans	-113.7	135	-178.6	-65.5	177	0	0	0	110.8	I590	I590-I592 HydrophobicContact CB-CG1 4.18Å; I590-I592 HydrophobicContact CG2-CB 4.13Å; I590-I592 HydrophobicContact CG2-CD1 3.66Å; I590-I592 HydrophobicContact CG2-CG1 3.81Å; I590-I592 PolarHBondContact O-N 2.97Å; I590-I592 VanDerWaalsContact O-N 3.13Å
593	K	31.1	Very low	29.5	Very low	180 Å²	180	146.9 Å²	146.9	78%	0.783	72%	0.719	S	S	*	*				-174.3	138.9	65.7	-95.3	160.3	-173.6	178.6	0	108.2
594	L	33.2	Very low	29.5	Very low	148 Å²	148	144.4 Å²	144.4	78%	0.775	72%	0.716	S	S	*	*				139.1	162.4	80.1	-90.8	163.8	0	0	0	113.7
595	K	30.4	Very low	29.7	Very low	193 Å²	193	139.5 Å²	139.5	84%	0.839	71%	0.712	S	S	*	*				-96.4	152	-81.4	-62.9	172.8	-180	177	0	113.1
596	S	28.3	Very low	29.7	Very low	113.5 Å²	113.5	142.3 Å²	142.3	79%	0.794	72%	0.723	S	S	*	*	S	Bend	trans	162.2	166.9	146.6	-122.8	0	0	0	0	113
597	S	26.5	Very low	29.8	Very low	80.5 Å²	80.5	139 Å²	139	56%	0.563	72%	0.717	S	S	*	*				-99.1	132.1	-97.6	169.4	0	0	0	0	115.4
598	R	25.6	Very low	30	Very low	196 Å²	196	138.2 Å²	138.2	74%	0.74	72%	0.719	S	S	*	*			trans	137.7	138.6	143.9	-69.2	-169.7	-76	170.7	0.5	114.2	L600	R598-L600 HydrophobicContact CB-CD1 4.2Å; R598-L600 HydrophobicContact CG-CD1 3.75Å
599	Y	25.9	Very low	30.3	Very low	192 Å²	192	139.8 Å²	139.8	75%	0.753	73%	0.726	S	S	*	*				59.6	115.7	69.6	-76.8	-115.7	0	0	0	117.4
600	L	27.3	Very low	30.3	Very low	113.5 Å²	113.5	137.6 Å²	137.6	59%	0.594	72%	0.72	S	S	*	*				-152.7	134.4	52.5	-105.7	138.8	0	0	0	107.3	R598	R598-L600 HydrophobicContact CB-CD1 4.2Å; R598-L600 HydrophobicContact CG-CD1 3.75Å
601	S	28.6	Very low	30.2	Very low	84.3333 Å²	84.3333	136.2 Å²	136.2	59%	0.59	72%	0.722	S	S	*	*			cis	83.9	133.1	33.5	59.1	0	0	0	0	116.1	T603	S601-T603 VanDerWaalsContact C-N 3.28Å; S601-T603 PolarHBondContact O-N 2.65Å
602	H	30.7	Very low	30.1	Very low	166 Å²	166	140.8 Å²	140.8	77%	0.769	72%	0.723	S	S	*	*			trans	18.8	111.2	151.7	-61.5	-70.6	0	0	0	115.5
603	T	29.6	Very low	30.1	Very low	111 Å²	111	139.8 Å²	139.8	68%	0.681	72%	0.723	S	S	*	*				-161	154.3	77.5	40.5	0	0	0	0	110.9	S601	S601-T603 VanDerWaalsContact C-N 3.28Å; S601-T603 PolarHBondContact O-N 2.65Å
604	E	29.1	Very low	30.1	Very low	167.667 Å²	167.667	138.9 Å²	138.9	78%	0.783	72%	0.722	S	S	*	*			trans	88.5	146.5	135.3	-61.4	175.7	-164.9	0	0	115.1	K606	E604-K606 IonicContact OE1-NZ 3.68Å; E604-K606 PolarHBondContact OE1-NZ 2.66Å; E604-K606 WeakPolarHBondContact OE2-CE 3.32Å; E604-K606 IonicContact OE2-NZ 3.75Å; E604-K606 PolarHBondContact OE2-NZ 3.27Å
605	G	33.3	Very low	30.1	Very low	61.6667 Å²	61.6667	137.8 Å²	137.8	64%	0.636	72%	0.721	S	S	*	*			cis	153.2	168.9	-6.2	0	0	0	0	0	112.9
606	K	30.5	Very low	30.1	Very low	183.667 Å²	183.667	134.6 Å²	134.6	80%	0.799	71%	0.713	S	S	*	*			trans	63.9	117.6	172.1	-56.2	149.3	-173.2	167.5	0	114	E604	E604-K606 IonicContact OE1-NZ 3.68Å; E604-K606 PolarHBondContact OE1-NZ 2.66Å; E604-K606 WeakPolarHBondContact OE2-CE 3.32Å; E604-K606 IonicContact OE2-NZ 3.75Å; E604-K606 PolarHBondContact OE2-NZ 3.27Å
607	S	32.7	Very low	30.4	Very low	92 Å²	92	137.3 Å²	137.3	64%	0.643	71%	0.713	S	S	*	*			cis	154.8	156.6	23.9	66.4	0	0	0	0	113.8
608	N	31.6	Very low	30.7	Very low	138 Å²	138	138.1 Å²	138.1	74%	0.738	72%	0.718	S	S	*	*			trans	69	133.7	157	-56.7	-8.3	0	0	0	117.3
609	L	35.3	Very low	30.9	Very low	142.667 Å²	142.667	135.7 Å²	135.7	75%	0.747	72%	0.72	S	S	*	*			cis	-162.9	142.2	32.5	-70.2	123.1	0	0	0	112.4
610	N	29.7	Very low	31.3	Very low	134 Å²	134	134.5 Å²	134.5	72%	0.717	73%	0.726	S	S	*	*				85.1	141.4	72.6	-89.7	-13.9	0	0	0	113.5
611	S	32.1	Very low	31.5	Very low	101.333 Å²	101.333	138.6 Å²	138.6	71%	0.709	73%	0.734	S	S	*	*				97.8	145.8	87	59.2	0	0	0	0	114.9
612	R	30.1	Very low	31.9	Very low	223 Å²	223	139.7 Å²	139.7	84%	0.842	74%	0.741	S	S	*	*				92.7	128.5	82.2	-154	-173.7	163.7	-177.2	-2.5	113.7
613	T	29.9	Very low	32	Very low	113.667 Å²	113.667	141.9 Å²	141.9	70%	0.697	74%	0.743	S	S	*	*			cis	179.8	151.4	29.5	28	0	0	0	0	111.3
614	H	31.2	Very low	32.2	Very low	161.333 Å²	161.333	139.5 Å²	139.5	75%	0.747	74%	0.741	S	S	*	*				94.2	151.6	88.3	-150.9	-76.9	0	0	0	114.8	D616	H614-D616 IonicContact CE1-OD2 3.8Å; H614-D616 IonicContact ND1-OD2 3.8Å
615	V	34.7	Very low	32.6	Very low	125.333 Å²	125.333	139 Å²	139	76%	0.76	74%	0.738	S	S	*	*			trans	83.3	120.6	170.9	-172.1	0	0	0	0	115.9
616	D	29.1	Very low	32.6	Very low	126 Å²	126	142.6 Å²	142.6	67%	0.674	74%	0.742	S	S	*	*			cis	-139.8	165.7	-36.2	-115.2	-51.7	0	0	0	110.6	H614	H614-D616 IonicContact CE1-OD2 3.8Å; H614-D616 IonicContact ND1-OD2 3.8Å
617	Q	34.9	Very low	33.1	Very low	170 Å²	170	140.6 Å²	140.6	79%	0.794	74%	0.74	S	S	*	*			trans	99.4	139.8	147.3	-70.8	177.6	45.8	0	0	116.9
618	S	32.4	Very low	33.1	Very low	96.6667 Å²	96.6667	142.9 Å²	142.9	68%	0.676	74%	0.74	S	S	*	*				106.9	140	67.4	68.1	0	0	0	0	115.7
619	N	29.4	Very low	33.3	Very low	145.667 Å²	145.667	143.5 Å²	143.5	78%	0.779	74%	0.738	S	S	*	*				10.4	140.1	104.7	-83.1	-41.3	0	0	0	117.7
620	L	35.1	Very low	33.3	Very low	168 Å²	168	142.4 Å²	142.4	88%	0.88	74%	0.738	S	S	*	*			trans	165.9	162.2	132	-90.1	161.3	0	0	0	114.5
621	R	32.3	Very low	33.6	Very low	197.667 Å²	197.667	142.1 Å²	142.1	75%	0.746	74%	0.736	S	S	*	*			trans	-128.4	134.4	-167	-87.5	175.7	140.4	-157.8	-1.5	111.9	H1127	R621-H1127 PolarHBondContact NE-NE2 2.93Å; R621-H1127 PolarHBondContact NH2-CD2 2.84Å; R621-H1127 PolarHBondContact NH2-NE2 2.77Å
622	S	36.1	Very low	33.8	Very low	107.333 Å²	107.333	144.4 Å²	144.4	75%	0.751	74%	0.741	S	S	*	*				152.1	137.7	124.6	29.3	0	0	0	0	115.3
623	R	33.7	Very low	34	Very low	212.667 Å²	212.667	141 Å²	141	80%	0.803	74%	0.738	S	S	*	*				74.1	124	102.1	-167.2	179.1	-175.2	156.7	3.4	116.4
624	G	33.8	Very low	34.1	Very low	62 Å²	62	140.2 Å²	140.2	64%	0.639	74%	0.737	S	S	*	*			cis	138.4	146.4	-0.8	0	0	0	0	0	111.8
625	Q	36.5	Very low	34.1	Very low	156.667 Å²	156.667	137.6 Å²	137.6	73%	0.732	74%	0.736	S	S	*	*			trans	71.1	141	150.1	-63.2	-178	-37	0	0	114.8
626	L	34.5	Very low	34	Very low	136.667 Å²	136.667	135.2 Å²	135.2	72%	0.716	74%	0.737	S	S	*	*			cis	-166.4	140.7	-11.1	-170.9	69.8	0	0	0	108.7
627	L	39.3	Very low	34.1	Very low	142.333 Å²	142.333	134.1 Å²	134.1	75%	0.745	74%	0.739	S	S	*	*			trans	146	143.3	144.5	-93.2	152.4	0	0	0	110.5
628	E	33.7	Very low	34	Very low	139 Å²	139	135.5 Å²	135.5	65%	0.65	74%	0.743	S	S	*	*				42.6	147.7	69.6	-86.9	165.6	167.4	0	0	111.4	R1123	E628-R1123 IonicContact OE1-CZ 3.08Å; E628-R1123 IonicContact OE1-NH1 2.68Å; E628-R1123 PolarHBondContact OE1-NH1 3.21Å; E628-R1123 IonicContact OE1-NH2 2.65Å; E628-R1123 PolarHBondContact OE1-NH2 3.49Å; E628-R1123 IonicContact OE2-NH1 3.78Å
629	E	35	Very low	33.8	Very low	151.333 Å²	151.333	135.6 Å²	135.6	71%	0.707	74%	0.744	S	S	*	*			cis	-152	171.4	9	-122.6	173.3	-152.6	0	0	107.8
630	T	36	Very low	33.9	Very low	120.333 Å²	120.333	133 Å²	133	74%	0.738	74%	0.737	S	S	*	*				-175.5	151.2	62.8	-5.4	0	0	0	0	111.8
631	D	36.8	Very low	33.8	Very low	126.667 Å²	126.667	131.1 Å²	131.1	68%	0.677	73%	0.728	S	S	*	*			trans	-128.6	168.1	-165.2	-91.4	-46.7	0	0	0	114.5	I633	D631-I633 HydrophobicContact CB-CG1 4.13Å; D631-I633 HydrophobicContact CB-CG2 4.41Å; D631-I633 PolarHBondContact O-N 3.37Å
632	D	35.4	Very low	33.9	Very low	149.667 Å²	149.667	130.7 Å²	130.7	80%	0.8	73%	0.732	S	S	*	*			trans	33.5	107.6	148.3	-87.4	-27	0	0	0	118.8
633	I	33.7	Very low	33.7	Very low	151.667 Å²	151.667	130 Å²	130	78%	0.778	72%	0.723	S	S	*	*			trans	-136.3	100.5	152.6	-26.2	171.1	0	0	0	113.3	D631	D631-I633 HydrophobicContact CB-CG1 4.13Å; D631-I633 HydrophobicContact CB-CG2 4.41Å; D631-I633 PolarHBondContact O-N 3.37Å
634	S	33.4	Very low	33.7	Very low	98 Å²	98	126.3 Å²	126.3	69%	0.685	72%	0.72	S	S	*	*				43.6	131.1	113.1	-160.9	0	0	0	0	116.9	G636	S634-G636 PolarHBondContact O-N 2.77Å
635	S	31.1	Very low	33.6	Very low	105.333 Å²	105.333	129.3 Å²	129.3	74%	0.737	72%	0.721	S	S	*	*			trans	53.2	101.7	160.1	68.1	0	0	0	0	118.1	S637	S635-S637 PolarHBondContact O-N 2.99Å
636	G	31.8	Very low	33.3	Very low	74.6667 Å²	74.6667	128.9 Å²	128.9	77%	0.77	72%	0.723	S	S	*	*			trans	150.1	97.7	155.5	0	0	0	0	0	113.2	S634	S634-G636 PolarHBondContact O-N 2.77Å
637	S	31	Very low	33.1	Very low	103.333 Å²	103.333	126.9 Å²	126.9	72%	0.723	72%	0.721	S	S	*	*			trans	-104.1	134.8	179.3	-66.5	0	0	0	0	110.5	S635	S635-S637 PolarHBondContact O-N 2.99Å
638	F	32.2	Very low	32.7	Very low	200.333 Å²	200.333	128.1 Å²	128.1	88%	0.879	72%	0.721	S	S	*	*			trans	-131.9	113.7	136	-73.6	-70.5	0	0	0	110.3
639	S	29.2	Very low	32.5	Very low	98 Å²	98	129.6 Å²	129.6	69%	0.685	73%	0.725	S	S	*	*			trans	54.1	135	144	-88.6	0	0	0	0	112.1	D641	S639-D641 WeakPolarHBondContact CB-OD2 3.39Å; S639-D641 PolarHBondContact OG-OD2 2.86Å
640	S	32.4	Very low	32.2	Very low	91.6667 Å²	91.6667	129.8 Å²	129.8	64%	0.641	73%	0.726	S	S	*	*			trans	177.1	114.8	145.5	87.8	0	0	0	0	110.6	F642 Q1235	S640-F642 PolarHBondContact O-N 3.13Å; S640-Q1235 PolarHBondContact OG-NE2 2.91Å; S640-Q1235 PolarHBondContact OG-OE1 3.35Å
641	D	32	Very low	31.9	Very low	127 Å²	127	129.2 Å²	129.2	68%	0.679	72%	0.722	S	S	*	*			trans	-129	144.7	179.1	-86.4	-45.5	0	0	0	109.4	S639 T643	S639-D641 WeakPolarHBondContact CB-OD2 3.39Å; S639-D641 PolarHBondContact OG-OD2 2.86Å; D641-T643 WeakPolarHBondContact OD1-CB 3.29Å; D641-T643 WeakPolarHBondContact OD1-CG2 3.28Å; D641-T643 PolarHBondContact OD1-N 2.59Å; D641-T643 PolarHBondContact OD1-OG1 2.83Å
642	F	33.3	Very low	31.5	Very low	190 Å²	190	128 Å²	128	83%	0.833	72%	0.724	S	S	*	*			trans	-83.4	111.1	133.3	-76	-82.8	0	0	0	114.8	S640	S640-F642 PolarHBondContact O-N 3.13Å
643	T	33	Very low	31.2	Very low	93.3333 Å²	93.3333	127.8 Å²	127.8	57%	0.573	72%	0.722	S	S	*	*				50	143.2	113.7	56.7	0	0	0	0	114.1	D641	D641-T643 WeakPolarHBondContact OD1-CB 3.29Å; D641-T643 WeakPolarHBondContact OD1-CG2 3.28Å; D641-T643 PolarHBondContact OD1-N 2.59Å; D641-T643 PolarHBondContact OD1-OG1 2.83Å
644	N	33.5	Very low	30.9	Very low	135.333 Å²	135.333	128.3 Å²	128.3	72%	0.724	72%	0.719	S	S	*	*				-176.3	161.7	87.7	-70.9	-40.9	0	0	0	113.2
645	D	31.3	Very low	30.7	Very low	124.667 Å²	124.667	130.8 Å²	130.8	67%	0.667	72%	0.719	S	S	*	*			trans	-77.4	164.7	143	-67	-41.6	0	0	0	113.6
646	D	30.7	Very low	30.5	Very low	147 Å²	147	130.2 Å²	130.2	79%	0.786	72%	0.715	S	S	*	*				5.6	126.1	122.7	-69.4	-36.2	0	0	0	119.3
647	S	30.5	Very low	30.4	Very low	96 Å²	96	133.6 Å²	133.6	67%	0.671	72%	0.715	S	S	*	*				-173.7	111.2	113.9	94.6	0	0	0	0	113.1
648	F	30.6	Very low	30.3	Very low	166 Å²	166	133.6 Å²	133.6	73%	0.728	71%	0.711	S	S	*	*			trans	48.9	114.8	155.6	-69.8	-83.1	0	0	0	116.2
649	F	28.6	Very low	30.2	Very low	171.667 Å²	171.667	129.2 Å²	129.2	75%	0.753	71%	0.706	S	S	*	*				64.1	137	93.6	-84.9	-98.6	0	0	0	114.6	T651	F649-T651 HydrophobicContact CD1-CG2 4.16Å
650	E	30.1	Very low	30.5	Very low	155.333 Å²	155.333	129.3 Å²	129.3	73%	0.726	71%	0.706	S	S	*	*			cis	-166.6	155.6	33.6	-93.1	-174.1	123.6	0	0	111.7	S652	E650-S652 PolarHBondContact O-N 3.3Å
651	T	28.2	Very low	30.5	Very low	107 Å²	107	133.5 Å²	133.5	66%	0.656	72%	0.716	S	S	*	*				57.6	112.8	84.2	42.3	0	0	0	0	115.9	F649	F649-T651 HydrophobicContact CD1-CG2 4.16Å
652	S	28.9	Very low	30.4	Very low	101 Å²	101	133 Å²	133	71%	0.706	72%	0.721	S	S	*	*				96.7	137.5	107.2	-75.9	0	0	0	0	116.4	E650	E650-S652 PolarHBondContact O-N 3.3Å
653	L	28.6	Very low	30.3	Very low	146.333 Å²	146.333	129.4 Å²	129.4	77%	0.766	72%	0.719	S	S	*	*				-131.6	139.3	125	-103.4	96.6	0	0	0	111.7
654	K	29.1	Very low	30.2	Very low	162.667 Å²	162.667	131.3 Å²	131.3	71%	0.707	73%	0.73	S	S	*	*				109.8	146.6	122.7	-83.5	172.9	-171.6	174.9	0	114.9	L1097	K654-L1097 PolarHBondContact NZ-O 3.06Å
655	H	28.6	Very low	30.5	Very low	150.333 Å²	150.333	130.1 Å²	130.1	70%	0.696	73%	0.73	S	S	*	*			trans	-78.9	156.1	140.9	-75.1	-53.9	0	0	0	115.5
656	S	27.6	Very low	30.5	Very low	92.3333 Å²	92.3333	130.2 Å²	130.2	65%	0.646	74%	0.735	S	S	*	*				90.7	137.5	114.1	57.9	0	0	0	0	118.5
657	N	28.3	Very low	30.5	Very low	145.333 Å²	145.333	127.4 Å²	127.4	78%	0.777	73%	0.728	S	S	*	*				121.8	163.7	108.2	-83.4	-6.7	0	0	0	115.9
658	T	29.8	Very low	30.7	Very low	104.333 Å²	104.333	131.6 Å²	131.6	64%	0.64	73%	0.733	S	S	*	*				88	119.1	123	49.9	0	0	0	0	117.6
659	S	30.7	Very low	30.7	Very low	108.667 Å²	108.667	131.4 Å²	131.4	76%	0.76	74%	0.739	S	S	*	*				69.4	148.3	125.9	65.1	0	0	0	0	117.9
660	S	34.5	Very low	31	Very low	99.6667 Å²	99.6667	128.5 Å²	128.5	70%	0.697	74%	0.738	S	S	*	*			cis	-149.1	171	-1	36.4	0	0	0	0	110.3
661	E	32.7	Very low	31	Very low	179.333 Å²	179.333	125.5 Å²	125.5	84%	0.838	73%	0.734	S	S	*	*			trans	-39.4	148	130.7	-90.1	160.5	-169.4	0	0	114.6
662	C	28.7	Very low	31.2	Very low	117 Å²	117	128.7 Å²	128.7	79%	0.791	74%	0.741	S	S	*	*				-173.1	145.9	74.3	-117.7	0	0	0	0	111.1
663	S	31.5	Very low	31.3	Very low	113.333 Å²	113.333	129.5 Å²	129.5	79%	0.793	74%	0.741	S	S	*	*			trans	-176.7	140	153.8	-85.8	0	0	0	0	111.1
664	V	32.1	Very low	31.5	Very low	133 Å²	133	128.4 Å²	128.4	81%	0.806	74%	0.735	S	S	*	*				-164.6	142.2	114.5	149.1	0	0	0	0	110.8
665	P	39.2	Very low	31.7	Very low	111.333 Å²	111.333	130.6 Å²	130.6	72%	0.723	74%	0.739	S	S	*	*				-136.7	-160.8	104.6	37	-19	0	0	0	117.3
666	T	32	Very low	31.8	Very low	126 Å²	126	128.7 Å²	128.7	77%	0.773	73%	0.734	S	S	*	*			trans	70.3	140.7	168.8	58.8	0	0	0	0	118.5
667	S	30.3	Very low	32.2	Very low	89.6667 Å²	89.6667	131.8 Å²	131.8	63%	0.627	74%	0.738	S	S	*	*				156.6	149	83.7	61.5	0	0	0	0	116.3
668	K	34.2	Very low	32.4	Very low	182.667 Å²	182.667	130.4 Å²	130.4	79%	0.794	73%	0.734	S	S	*	*			trans	102.6	135.7	150.1	-71.2	159.8	-171.8	177.4	0	114.6
669	L	29.9	Very low	32.7	Very low	162.667 Å²	162.667	132.5 Å²	132.5	85%	0.852	74%	0.74	S	S	*	*				66.6	157.1	74.6	-65.7	146.2	0	0	0	112.6
670	P	36.5	Very low	32.8	Very low	110 Å²	110	133 Å²	133	71%	0.714	74%	0.735	S	S	*	*			cis	-134	167.7	-34.1	36.7	-18.4	0	0	0	116.8
671	S	29.4	Very low	32.9	Very low	92 Å²	92	134.4 Å²	134.4	64%	0.643	73%	0.733	S	S	*	*			trans	90	138.5	137.8	67.2	0	0	0	0	121.1
672	H	31.6	Very low	33.1	Very low	176 Å²	176	131.2 Å²	131.2	82%	0.815	72%	0.722	S	S	*	*			trans	60.8	139.3	135	-70.4	-50	0	0	0	122
673	V	31.8	Very low	33.5	Very low	116.333 Å²	116.333	132.2 Å²	132.2	71%	0.705	71%	0.713	S	S	*	*				115.8	136.6	109.5	151	0	0	0	0	116.5
674	I	32.4	Very low	33.6	Very low	124.333 Å²	124.333	137 Å²	137	64%	0.638	71%	0.714	S	S	*	*			trans	64.6	115.4	143.3	-58	175.9	0	0	0	118.2
675	R	32.7	Very low	34	Very low	207.667 Å²	207.667	139.6 Å²	139.6	78%	0.784	71%	0.714	S	S	*	*				107.7	154.1	126	-97.5	170.5	-177.5	117.4	2.2	119.6
676	D	32.1	Very low	33.6	Very low	110.667 Å²	110.667	140.6 Å²	140.6	59%	0.592	71%	0.713	S	S	*	*			trans	-155.3	163.1	166.2	-69.5	-35.8	0	0	0	114.9
677	H	34.8	Very low	33.9	Very low	157 Å²	157	140.5 Å²	140.5	73%	0.727	71%	0.712	S	S	*	*			trans	64.2	114.4	145.8	-55.7	-47.6	0	0	0	118
678	V	32.7	Very low	34.2	Very low	116.333 Å²	116.333	142.3 Å²	142.3	71%	0.705	72%	0.715	S	S	*	*			cis	103.5	141.7	49.7	149.6	0	0	0	0	112.7
679	L	36.3	Very low	34.2	Very low	148 Å²	148	138.8 Å²	138.8	78%	0.775	71%	0.709	S	S	*	*			trans	75.2	152.1	171.8	-59.8	174.9	0	0	0	116.5
680	N	33.5	Very low	34.4	Very low	121 Å²	121	136.9 Å²	136.9	65%	0.647	70%	0.699	S	S	*	*			cis	-163.3	178.3	-18.2	-150.4	-10.5	0	0	0	110.3
681	I	37.2	Very low	34.2	Very low	129 Å²	129	140.2 Å²	140.2	66%	0.662	70%	0.703	S	S	*	*			trans	62.3	112.1	146.4	-74.3	161.2	0	0	0	116.9
682	D	36.8	Very low	34.3	Very low	111 Å²	111	139.9 Å²	139.9	59%	0.594	70%	0.701	S	S	*	*				164.1	166.6	51.7	-124.6	-25.5	0	0	0	115.9
683	K	36.9	Very low	34.4	Very low	137.667 Å²	137.667	138.7 Å²	138.7	60%	0.599	70%	0.696	S	S	*	*				81.1	123	116.1	-88.7	148.2	-161.8	128	0	116.7
684	R	34	Very low	34.4	Very low	215.667 Å²	215.667	141.6 Å²	141.6	81%	0.814	70%	0.699	S	S	*	*				109.3	156.4	103.1	-76.5	160.1	-174.9	170.2	0.4	114.8
685	K	39.3	Very low	34.3	Very low	187 Å²	187	140.5 Å²	140.5	81%	0.813	70%	0.701	S	S	*	*			cis	170.8	142.6	-2.5	-108.7	-160.4	178.4	-177.7	0	109.5
686	N	31.5	Very low	34.3	Very low	132.333 Å²	132.333	139.2 Å²	139.2	71%	0.708	70%	0.701	S	S	*	*			cis	64	129.6	18.8	-125.9	68.7	0	0	0	114.6
687	V	38.6	Very low	34.3	Very low	123.333 Å²	123.333	144.2 Å²	144.2	75%	0.747	71%	0.712	S	S	*	*			trans	178	132.4	146.3	-175	0	0	0	0	108.8
688	D	35.8	Very low	34.1	Very low	128.333 Å²	128.333	141.2 Å²	141.2	69%	0.686	71%	0.708	S	S	*	*			cis	-175	164.7	6.2	-117.1	-50.5	0	0	0	112.7
689	T	35.2	Very low	34	Very low	107.667 Å²	107.667	142.6 Å²	142.6	66%	0.661	71%	0.712	S	S	*	*			trans	-71.1	156.6	174.5	41.8	0	0	0	0	114.2
690	N	33.1	Very low	33.7	Very low	123.333 Å²	123.333	142.6 Å²	142.6	66%	0.66	71%	0.708	S	S	*	*				145.5	147.7	52.3	-125.8	-23.2	0	0	0	115.5
691	F	33.2	Very low	33.6	Very low	180.333 Å²	180.333	146.4 Å²	146.4	79%	0.791	71%	0.714	S	S	*	*			trans	66.2	150.3	162.7	-70.7	-99.5	0	0	0	120.1
692	S	31.1	Very low	33.1	Very low	85.6667 Å²	85.6667	147.9 Å²	147.9	60%	0.599	72%	0.719	S	S	*	*			cis	-164.9	160.2	-24.8	-149.5	0	0	0	0	112.5
693	Q	34.1	Very low	32.6	Very low	150.333 Å²	150.333	148.2 Å²	148.2	70%	0.702	72%	0.724	S	S	*	*			trans	59.8	109.7	154.7	-75.3	177.4	15.1	0	0	121.3
694	K	30.9	Very low	32.3	Very low	176.667 Å²	176.667	150 Å²	150	77%	0.768	74%	0.735	S	S	*	*				82.2	135.1	111.2	-71.4	175.4	179.4	167.9	0	118.2
695	C	31.3	Very low	32	Very low	101 Å²	101	144.3 Å²	144.3	68%	0.682	73%	0.728	S	S	*	*				106.9	146.3	55	-75.6	0	0	0	0	111.3
696	F	31.2	Very low	31.6	Very low	181.333 Å²	181.333	142.7 Å²	142.7	80%	0.795	73%	0.727	S	S	*	*			cis	-178.7	154.6	18.9	-95.2	-50.9	0	0	0	110.6
697	R	32.1	Very low	31.5	Very low	215.667 Å²	215.667	143.2 Å²	143.2	81%	0.814	73%	0.73	S	S	*	*				102.1	144.8	74.8	-93.2	-178.9	178.8	-165.3	-2.7	116.2
698	S	31.6	Very low	31.2	Very low	93.6667 Å²	93.6667	145.6 Å²	145.6	66%	0.655	73%	0.733	S	S	*	*				94.5	128.6	124.1	-90.6	0	0	0	0	117.8
699	N	29.8	Very low	30.9	Very low	145 Å²	145	143.9 Å²	143.9	78%	0.775	73%	0.732	S	S	*	*				74.9	147	107.8	-71.9	11.6	0	0	0	115.1
700	H	30.3	Very low	30.6	Very low	149.333 Å²	149.333	143.9 Å²	143.9	69%	0.691	74%	0.736	S	S	*	*			trans	-135.3	146.1	137.1	-106.7	-82.5	0	0	0	110.8
701	Y	31.2	Very low	30.2	Very low	200.667 Å²	200.667	143.6 Å²	143.6	79%	0.787	74%	0.743	S	S	*	*			trans	96.5	157.8	146.7	-74.2	-61.4	0	0	0	115.2
702	E	27.1	Very low	29.9	Very low	160.333 Å²	160.333	139.8 Å²	139.8	75%	0.749	74%	0.738	S	S	*	*			cis	-135.7	149.1	-31.2	-83.2	170.1	155.6	0	0	113.2
703	T	27.2	Very low	30	Very low	116.667 Å²	116.667	140.7 Å²	140.7	72%	0.716	74%	0.744	S	S	*	*			trans	105.2	165.9	134.3	-19.2	0	0	0	0	116.1
704	E	29.4	Very low	29.9	Very low	175.333 Å²	175.333	140.2 Å²	140.2	82%	0.819	75%	0.745	S	S	*	*			trans	66	154.2	164.2	-64.4	172.6	178.7	0	0	118.4
705	S	27.4	Very low	30.1	Very low	96 Å²	96	140.3 Å²	140.3	67%	0.671	75%	0.746	S	S	*	*				-170.4	147.6	-50.9	66.3	0	0	0	0	113.2
706	L	31.3	Very low	30.3	Very low	152.667 Å²	152.667	144 Å²	144	80%	0.799	75%	0.75	S	S	*	*			trans	99.9	128.6	145.9	-87.7	139.3	0	0	0	117.6
707	D	30.3	Very low	30.4	Very low	144 Å²	144	143 Å²	143	77%	0.77	75%	0.747	S	S	*	*			trans	25.8	160.6	137.7	-91.1	-33.9	0	0	0	120
708	E	32.2	Very low	30.5	Very low	173 Å²	173	137.4 Å²	137.4	81%	0.808	74%	0.737	S	S	*	*			trans	64.7	117.5	157.3	-70.2	-148.4	121.3	0	0	121.7
709	S	29.7	Very low	30.6	Very low	92.6667 Å²	92.6667	140.6 Å²	140.6	65%	0.648	74%	0.742	S	S	*	*				125	163.8	84.4	75.7	0	0	0	0	118.3
710	S	27.5	Very low	30.8	Very low	109 Å²	109	142.4 Å²	142.4	76%	0.762	74%	0.743	S	S	*	*			trans	97.9	111.2	150.6	-68.8	0	0	0	0	116.7
711	C	25.2	Very low	30.9	Very low	117 Å²	117	139.3 Å²	139.3	79%	0.791	74%	0.743	S	S	*	*				90.7	139.2	64.4	-136.8	0	0	0	0	114.8
712	S	27.9	Very low	30.9	Very low	100.333 Å²	100.333	140.1 Å²	140.1	70%	0.702	75%	0.745	S	S	*	*			trans	108.5	158.3	149.3	75.9	0	0	0	0	115.8	I714	S712-I714 WeakPolarHBondContact OG-CD1 3.39Å
713	S	32.1	Very low	31.3	Very low	103.333 Å²	103.333	139.9 Å²	139.9	72%	0.723	74%	0.744	S	S	*	*				171.2	113.8	126	-39.8	0	0	0	0	114.6
714	I	32.8	Very low	31.6	Very low	139.667 Å²	139.667	139.2 Å²	139.2	72%	0.716	74%	0.743	S	S	*	*				72.9	122.3	101.6	-62.7	165.8	0	0	0	117.2	S712	S712-I714 WeakPolarHBondContact OG-CD1 3.39Å
715	K	33.9	Very low	32	Very low	180.333 Å²	180.333	137.2 Å²	137.2	78%	0.784	74%	0.743	S	S	*	*			trans	151	145.3	149.9	-95.6	155.2	-173.4	172.3	0	110.8
716	K	35.7	Very low	32.2	Very low	177.667 Å²	177.667	137.5 Å²	137.5	77%	0.772	75%	0.745	S	S	*	*				101.4	147.3	81.8	-78.4	-176.7	174.9	-173.5	0	111
717	H	34.1	Very low	32.5	Very low	159.667 Å²	159.667	135.4 Å²	135.4	74%	0.739	74%	0.74	S	S	*	*			cis	-151.9	138.2	13.5	-135.7	-54.1	0	0	0	108.8
718	T	34.2	Very low	32.7	Very low	98.3333 Å²	98.3333	137.2 Å²	137.2	60%	0.603	74%	0.744	S	S	*	*				82.3	132.3	86.7	32.3	0	0	0	0	115.3
719	Q	33.9	Very low	32.9	Very low	161.333 Å²	161.333	133.4 Å²	133.4	75%	0.754	74%	0.737	S	S	*	*				92.8	137.6	118.3	-114.5	-171.7	20.7	0	0	114.2
720	K	33.1	Very low	33	Very low	183.333 Å²	183.333	139.8 Å²	139.8	80%	0.797	75%	0.747	S	S	*	*			trans	91.7	140.7	155.1	-74.6	163.3	-179.5	167.9	0	112.6
721	A	31.8	Very low	33.3	Very low	83.6667 Å²	83.6667	140.9 Å²	140.9	69%	0.691	75%	0.749	S	S	*	*			cis	156.7	151.3	3.1	0	0	0	0	0	110.5
722	R	33.2	Very low	33.7	Very low	217.667 Å²	217.667	139 Å²	139	82%	0.821	74%	0.742	S	S	*	*			trans	72.9	148.9	179.1	-52.5	-171.1	154.8	171.5	-0.8	116.4
723	E	33.8	Very low	33.9	Very low	156.333 Å²	156.333	139.4 Å²	139.4	73%	0.731	74%	0.744	S	S	*	*			cis	160.4	152.2	-30	-98.6	120.4	-127.8	0	0	109
724	S	33.3	Very low	33.9	Very low	101 Å²	101	140.2 Å²	140.2	71%	0.706	75%	0.745	S	S	*	*			cis	-163.6	163.2	-11.2	54.2	0	0	0	0	110.2
725	V	38.3	Very low	33.7	Very low	133.333 Å²	133.333	144.1 Å²	144.1	81%	0.808	75%	0.751	S	S	*	*				88.6	157.7	126	142.4	0	0	0	0	114.9
726	S	31.1	Very low	33.6	Very low	104 Å²	104	142.8 Å²	142.8	73%	0.727	75%	0.752	S	S	*	*				170.8	167.4	74.2	-94.3	0	0	0	0	110.9
727	P	38.1	Very low	33.3	Very low	107 Å²	107	138.7 Å²	138.7	70%	0.695	75%	0.745	S	S	*	*			cis	-123.6	163.9	27.5	41.9	-31.3	0	0	0	117.9
728	Q	35.8	Very low	33.2	Very low	181.667 Å²	181.667	138 Å²	138	85%	0.849	75%	0.752	S	S	*	*			trans	83.9	135.7	147.4	-85.2	168.8	6.9	0	0	119.6
729	S	34.6	Very low	33.1	Very low	94 Å²	94	136.5 Å²	136.5	66%	0.657	76%	0.756	S	S	*	*			cis	166.2	154.8	21.6	102.5	0	0	0	0	114.8
730	R	32.4	Very low	33	Very low	226.667 Å²	226.667	140 Å²	140	86%	0.855	76%	0.763	S	S	*	*				83.5	147	84.3	-93.5	-176.3	-162.4	-168.7	5.4	115.1
731	V	34	Very low	32.8	Very low	131.667 Å²	131.667	135.9 Å²	135.9	80%	0.798	76%	0.757	S	S	*	*			cis	168.2	165.1	1.7	141.8	0	0	0	0	114.1
732	A	33	Very low	32.7	Very low	78.6667 Å²	78.6667	142.3 Å²	142.3	65%	0.65	76%	0.763	S	S	*	*			trans	98.6	153.6	151.6	0	0	0	0	0	116
733	S	32.6	Very low	32.7	Very low	107.667 Å²	107.667	137.7 Å²	137.7	75%	0.753	76%	0.759	S	S	*	*				69.6	135.9	65.9	-85.1	0	0	0	0	116.6
734	T	32	Very low	32.5	Very low	120 Å²	120	135.2 Å²	135.2	74%	0.736	76%	0.759	S	S	*	*				98.7	137	72.6	24	0	0	0	0	115.6
735	R	29.8	Very low	32.5	Very low	222.333 Å²	222.333	135.6 Å²	135.6	84%	0.839	76%	0.762	S	S	*	*				73	146.9	128.2	-74.4	-179.5	176.7	-163.5	-1.9	114.8
736	L	31.7	Very low	32.2	Very low	153 Å²	153	134.2 Å²	134.2	80%	0.801	76%	0.758	S	S	*	*			trans	80	138.5	136.7	-61.1	175.6	0	0	0	116.8
737	S	29.3	Very low	32.3	Very low	91.6667 Å²	91.6667	137 Å²	137	64%	0.641	76%	0.76	S	S	*	*			cis	152.7	146.5	9.9	19.6	0	0	0	0	115.1
738	V	31.6	Very low	32	Very low	144.667 Å²	144.667	138.9 Å²	138.9	88%	0.877	76%	0.759	S	S	*	*			trans	70.6	141.1	155.1	-176.6	0	0	0	0	115.8
739	G	31.7	Very low	31.8	Very low	67.3333 Å²	67.3333	138 Å²	138	69%	0.694	76%	0.755	S	S	*	*			cis	122.2	144.5	23.1	0	0	0	0	0	111.8
740	R	31.4	Very low	31.6	Very low	235 Å²	235	138 Å²	138	89%	0.887	75%	0.754	S	S	*	*			cis	78.5	130.3	42.6	-111.5	-179.3	173.1	-179.2	-2.2	114.8
741	S	29.1	Very low	31.5	Very low	97 Å²	97	134.6 Å²	134.6	68%	0.678	75%	0.748	S	S	*	*			trans	72.2	137.5	131.2	-52.5	0	0	0	0	117
742	R	30.8	Very low	31.1	Very low	218.333 Å²	218.333	139.5 Å²	139.5	82%	0.824	75%	0.752	S	S	*	*				113.4	151.4	105.4	-80	177.3	177.2	-174.9	-2	110.7
743	T	32	Very low	31	Very low	119.333 Å²	119.333	139.7 Å²	139.7	73%	0.732	75%	0.753	S	S	*	*			cis	164.1	147.7	17.2	29.3	0	0	0	0	110.8
744	S	29.7	Very low	30.9	Very low	105.667 Å²	105.667	141.9 Å²	141.9	74%	0.739	76%	0.755	S	S	*	*				84.9	126.2	66.5	70.7	0	0	0	0	117
745	S	33.1	Very low	30.8	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	75%	0.749	S	S	*	*			trans	157.4	146	158.7	60	0	0	0	0	110.4
746	S	31.7	Very low	30.9	Very low	104 Å²	104	140.7 Å²	140.7	73%	0.727	75%	0.746	S	S	*	*			cis	98.2	152.8	45.5	-138.4	0	0	0	0	112.7
747	Q	33	Very low	30.8	Very low	162.333 Å²	162.333	140.3 Å²	140.3	76%	0.759	75%	0.745	S	S	*	*			cis	-176.8	152.4	-2.4	-120.6	172.9	-10.1	0	0	112.2
748	H	31.8	Very low	31	Very low	146.333 Å²	146.333	140 Å²	140	68%	0.677	74%	0.742	S	S	*	*			trans	95.4	141.2	-177.1	-87	-85.8	0	0	0	116.6
749	H	32	Very low	31	Very low	163.667 Å²	163.667	138.9 Å²	138.9	76%	0.758	73%	0.732	S	S	*	*			trans	46.3	125.3	154.6	-63.7	-57.9	0	0	0	120.2
750	S	30.4	Very low	31	Very low	93.3333 Å²	93.3333	141.8 Å²	141.8	65%	0.653	73%	0.731	S	S	*	*			cis	104.5	135	33.2	72.1	0	0	0	0	114.3
751	H	30.2	Very low	31	Very low	155.667 Å²	155.667	139.4 Å²	139.4	72%	0.721	72%	0.721	S	S	*	*				109.9	147.4	106.4	-150.1	-104.5	0	0	0	117.8
752	W	26.1	Very low	31.1	Very low	234.333 Å²	234.333	142.2 Å²	142.2	89%	0.888	72%	0.724	S	S	*	*			trans	-91.6	160	171.1	-61.8	-24.5	0	0	0	112.8
753	A	31.1	Very low	31.1	Very low	82 Å²	82	136.1 Å²	136.1	68%	0.678	72%	0.715	S	S	*	*			cis	171.7	167.6	12.6	0	0	0	0	0	110.9
754	I	30	Very low	31	Very low	154 Å²	154	135 Å²	135	79%	0.79	71%	0.712	S	S	*	*				108.3	126.2	117.9	-66.3	172.5	0	0	0	114.7
755	D	29.8	Very low	31	Very low	115 Å²	115	137.3 Å²	137.3	62%	0.615	71%	0.711	S	S	*	*				67.3	123.2	125.4	-105.6	15.8	0	0	0	122.2
756	R	31.6	Very low	31	Very low	203 Å²	203	139.6 Å²	139.6	77%	0.766	71%	0.71	S	S	*	*			trans	77	118.8	145.3	-64.7	165.8	-154	-137.5	-0.1	119.7
757	N	31	Very low	30.8	Very low	145 Å²	145	139.9 Å²	139.9	78%	0.775	71%	0.711	S	S	*	*				63.1	130.1	111.3	-91.6	10.2	0	0	0	118.5
758	S	32	Very low	30.8	Very low	84 Å²	84	139.1 Å²	139.1	59%	0.587	71%	0.711	S	S	*	*			trans	164.8	121.4	133.1	61.6	0	0	0	0	114.9	F1359	S758-F1359 CarbonylContact C-O 3.47Å
759	N	31.7	Very low	30.7	Very low	122.667 Å²	122.667	139.6 Å²	139.6	66%	0.656	71%	0.713	S	S	*	*			trans	63.2	143.6	146.2	-56.1	-20.9	0	0	0	121	N1357 S1358 F1359	N759-N1357 PolarHBondContact ND2-O 3.25Å; N759-N1357 VanDerWaalsContact ND2-O 3.08Å; N759-N1357 PolarHBondContact OD1-O 3.07Å; N759-S1358 CarbonylContact C-O 3.2Å; N759-S1358 WeakPolarHBondContact CA-O 3.35Å; N759-S1358 VanDerWaalsContact OD1-C 3.28Å; N759-S1358 WeakPolarHBondContact OD1-CA 3.34Å; N759-S1358 PolarHBondContact OD1-N 2.85Å; N759-F1359 CarbonylContact C-O 3.44Å; N759-F1359 VanDerWaalsContact CA-O 3.26Å; N759-F1359 WeakPolarHBondContact CA-O 3.41Å; N759-F1359 VanDerWaalsContact N-C 3.31Å; N759-F1359 PolarHBondContact N-O 3.16Å; N759-F1359 VanDerWaalsContact N-O 3.16Å; N759-F1359 PolarHBondContact OD1-N 3.27Å
760	L	31.6	Very low	30.7	Very low	129 Å²	129	139.4 Å²	139.4	68%	0.675	71%	0.713	S	S	*	*				162.6	133.6	74.4	-151	65.2	0	0	0	116.6	N1357 S1358 F1359	L760-N1357 HydrophobicContact CD1-CB 4Å; L760-S1358 CarbonylContact C-O 3.33Å; L760-S1358 WeakPolarHBondContact CA-O 3.46Å; L760-S1358 PolarHBondContact N-O 3.44Å; L760-F1359 PolarHBondContact N-O 3.49Å
761	R	31.5	Very low	30.7	Very low	183 Å²	183	140.8 Å²	140.8	69%	0.691	71%	0.713	S	S	*	*			trans	60.8	136.2	148.1	-61.2	-179.1	170.7	-158	-0.7	118.4	N1357 S1358	R761-N1357 WeakPolarHBondContact CA-OD1 3.37Å; R761-N1357 WeakPolarHBondContact CG-ND2 3.48Å; R761-N1357 PolarHBondContact N-OD1 3.04Å; R761-S1358 PolarHBondContact N-O 3.42Å; R761-S1358 VanDerWaalsContact N-O 3.16Å
762	Q	32.9	Very low	30.8	Very low	156.667 Å²	156.667	138.6 Å²	138.6	73%	0.732	71%	0.71	S	S	*	*			cis	173.6	137.8	28.8	-91.8	166.3	-44.6	0	0	110.2
763	S	29.1	Very low	31.1	Very low	91 Å²	91	133.4 Å²	133.4	64%	0.636	70%	0.7	S	S	*	*				104.4	141.4	51.4	82	0	0	0	0	113.8
764	S	30.4	Very low	31.1	Very low	94.3333 Å²	94.3333	135.7 Å²	135.7	66%	0.66	70%	0.696	S	S	*	*				96.3	160.1	128.6	11.2	0	0	0	0	116.2
765	Q	30.7	Very low	31.2	Very low	154.667 Å²	154.667	135.4 Å²	135.4	72%	0.723	69%	0.69	S	S	*	*			cis	164.6	170.4	2.9	-134.9	160.2	-73.8	0	0	112.8
766	E	32.7	Very low	31.4	Very low	157.333 Å²	157.333	137.3 Å²	137.3	74%	0.735	69%	0.694	S	S	*	*			trans	83.7	143.8	157.4	-82.4	123.8	-161.8	0	0	115.4
767	C	28.3	Very low	31.4	Very low	111 Å²	111	133 Å²	133	75%	0.75	69%	0.687	S	S	*	*				65	161.1	68.7	-76.4	0	0	0	0	113.7
768	L	32.1	Very low	31.6	Very low	144.667 Å²	144.667	135 Å²	135	76%	0.757	69%	0.688	S	S	*	*				171.4	162.2	81.7	-114.5	106.3	0	0	0	112.1
769	E	29.7	Very low	31.7	Very low	157.333 Å²	157.333	135.3 Å²	135.3	74%	0.735	70%	0.696	S	S	*	*			cis	-128.4	170.7	-32.5	-118.8	161.6	162.8	0	0	108.3
770	E	32	Very low	31.7	Very low	159.667 Å²	159.667	134.2 Å²	134.2	75%	0.746	70%	0.698	S	S	*	*				94	159.2	103.3	-97.1	-155.8	147.9	0	0	116.1
771	N	29.4	Very low	31.8	Very low	123.333 Å²	123.333	136.4 Å²	136.4	66%	0.66	70%	0.702	S	S	*	*			cis	165.5	178.6	-34.9	-130.9	-23.4	0	0	0	111.8
772	V	32.7	Very low	32	Very low	108 Å²	108	135.3 Å²	135.3	66%	0.655	71%	0.705	S	S	*	*				90.1	121.6	128.4	140.8	0	0	0	0	115.8
773	D	32	Very low	31.9	Very low	125.333 Å²	125.333	132.6 Å²	132.6	67%	0.67	70%	0.703	S	S	*	*			trans	70.7	131.9	136.7	-83.1	-22.9	0	0	0	125.2
774	Q	31.5	Very low	32	Very low	130.333 Å²	130.333	139.2 Å²	139.2	61%	0.609	71%	0.714	S	S	*	*				72.1	114.9	126.3	-104.1	-177.7	101	0	0	122.7
775	K	31.7	Very low	32	Very low	149 Å²	149	138.9 Å²	138.9	65%	0.648	72%	0.717	S	S	*	*				74.3	125	120	-135.4	-172.5	-159	162.8	0	119.3
776	H	35.8	Very low	32.2	Very low	153 Å²	153	142.5 Å²	142.5	71%	0.708	72%	0.724	S	S	*	*			trans	103.1	143.3	137.2	-74.4	-44.8	0	0	0	115.9
777	N	30.3	Very low	32.2	Very low	114.333 Å²	114.333	140.7 Å²	140.7	61%	0.611	72%	0.724	S	S	*	*			cis	146.2	140.9	14.6	-119.6	-19.5	0	0	0	112.8
778	K	34.9	Very low	32.4	Very low	187 Å²	187	142.3 Å²	142.3	81%	0.813	72%	0.724	S	S	*	*			trans	55.7	154.6	146.2	-56.2	170.8	-176	176.7	0	117
779	A	35.2	Very low	32.5	Very low	89.6667 Å²	89.6667	142.4 Å²	142.4	74%	0.741	73%	0.725	S	S	*	*			cis	170.9	159.7	16.5	0	0	0	0	0	111.7
780	S	31.9	Very low	32.7	Very low	99.3333 Å²	99.3333	143.2 Å²	143.2	70%	0.695	73%	0.726	S	S	*	*				104.1	122.5	58.8	-170	0	0	0	0	115.7
781	F	33.1	Very low	32.7	Very low	175 Å²	175	142.6 Å²	142.6	77%	0.768	73%	0.727	S	S	*	*				-117.9	143.2	126.2	-89.3	-104	0	0	0	110.6
782	H	35.9	Very low	33.2	Very low	161.333 Å²	161.333	141.4 Å²	141.4	75%	0.747	73%	0.726	S	S	*	*				65.5	142.3	105	-76.1	-25.4	0	0	0	115.2
783	S	30.7	Very low	33.2	Very low	98.6667 Å²	98.6667	143.3 Å²	143.3	69%	0.69	73%	0.732	S	S	*	*			cis	160	123	-1.7	22.2	0	0	0	0	111.3
784	R	31.7	Very low	33.2	Very low	230 Å²	230	141.6 Å²	141.6	87%	0.868	74%	0.735	S	S	*	*				94.5	104.1	110.6	-148.6	-177.7	-172	174.3	2.7	113.8
785	A	30.9	Very low	33.2	Very low	87.3333 Å²	87.3333	142.5 Å²	142.5	72%	0.722	74%	0.744	S	S	*	*				146.8	125.8	108.5	0	0	0	0	0	112.3
786	R	32.9	Very low	33.1	Very low	230.667 Å²	230.667	139.7 Å²	139.7	87%	0.87	74%	0.744	S	S	*	*				87.3	109.5	108.6	-82.2	-175.1	174.1	165.2	-1.6	115.4
787	T	32.9	Very low	32.9	Very low	119.667 Å²	119.667	137.3 Å²	137.3	73%	0.734	74%	0.744	S	S	*	*				92.6	131	121.7	51.5	0	0	0	0	112.2
788	L	32.5	Very low	32.9	Very low	145 Å²	145	137.2 Å²	137.2	76%	0.759	75%	0.753	S	S	*	*			cis	175.2	148.5	25.7	-95	168.1	0	0	0	111.9
789	L	35.6	Very low	33	Very low	146.667 Å²	146.667	133.2 Å²	133.2	77%	0.768	75%	0.746	S	S	*	*			trans	55.3	157.9	158.2	-54.9	166.3	0	0	0	117.1
790	K	33.7	Very low	32.8	Very low	174 Å²	174	135 Å²	135	76%	0.757	74%	0.743	S	S	*	*			cis	-162.8	133.8	-14.3	-173.6	144.4	178.6	-176.6	0	108.7
791	L	32.1	Very low	32.7	Very low	146.667 Å²	146.667	136.8 Å²	136.8	77%	0.768	74%	0.74	S	S	*	*			trans	-44.3	173.6	159.5	-80.4	72.2	0	0	0	114.2
792	P	38.8	Very low	32.8	Very low	98.6667 Å²	98.6667	136.4 Å²	136.4	64%	0.641	74%	0.738	S	S	*	*			cis	-113.5	-138.1	-47	26.6	-4.9	0	0	0	111.2
793	D	32.5	Very low	32.6	Very low	148.667 Å²	148.667	132.5 Å²	132.5	80%	0.795	73%	0.729	S	S	*	*				163.2	159.1	104.7	-76.8	-40.5	0	0	0	112.9
794	A	33.6	Very low	32.7	Very low	88.3333 Å²	88.3333	133 Å²	133	73%	0.73	73%	0.728	S	S	*	*			trans	-134.4	140.8	-158	0	0	0	0	0	111.5
795	D	30.8	Very low	32.8	Very low	148.667 Å²	148.667	130.2 Å²	130.2	80%	0.795	72%	0.722	S	S	*	*			trans	176.7	155.2	151.8	-87.7	-32.9	0	0	0	116.9
796	S	29.8	Very low	32.9	Very low	91.3333 Å²	91.3333	130.3 Å²	130.3	64%	0.639	72%	0.718	S	S	*	*			trans	95.9	157.6	145.1	70.2	0	0	0	0	118
797	S	31.8	Very low	33	Very low	102.667 Å²	102.667	128 Å²	128	72%	0.718	71%	0.714	S	S	*	*			trans	38.1	125.7	157.9	58.8	0	0	0	0	119.2
798	S	30.6	Very low	32.9	Very low	112.667 Å²	112.667	132.3 Å²	132.3	79%	0.788	72%	0.717	S	S	*	*				37.2	149.4	69.4	-53.7	0	0	0	0	113.5
799	P	36.8	Very low	32.8	Very low	102.667 Å²	102.667	132.2 Å²	132.2	67%	0.667	72%	0.715	S	S	*	*			cis	-141.1	-173.9	12.1	37.9	-18.6	0	0	0	114.5
800	N	29.3	Very low	32.5	Very low	126.667 Å²	126.667	131.9 Å²	131.9	68%	0.677	71%	0.712	S	S	*	*			trans	59.5	142	150.9	-58.2	-16.6	0	0	0	118.7
801	H	31.7	Very low	32.3	Very low	137.75 Å²	137.75	130.8 Å²	130.8	64%	0.638	71%	0.713	S	S	*	*				-172.2	147.4	78	-94.1	-40.3	0	0	0	111.5
802	F	34.3	Very low	32.2	Very low	166.75 Å²	166.75	128.1 Å²	128.1	73%	0.731	71%	0.707	S	S	*	*				130.6	148.1	94.4	-69.8	-69.2	0	0	0	112.9	H1022	F802-H1022 WeakPolarHBondContact CZ-O 3.34Å
803	S	31.4	Very low	31.8	Very low	79.5 Å²	79.5	132.3 Å²	132.3	56%	0.556	72%	0.715	S	S	*	*			cis	129.2	117.6	27.3	-164.2	0	0	0	0	112.1	Q1171	S803-Q1171 PolarHBondContact O-NE2 3.12Å
804	T	32.5	Very low	31.7	Very low	108.25 Å²	108.25	131.9 Å²	131.9	66%	0.664	72%	0.718	S	S	*	*				78.7	149.1	122.1	73	0	0	0	0	115
805	K	34.4	Very low	31.6	Very low	170.75 Å²	170.75	131.5 Å²	131.5	74%	0.742	71%	0.714	S	S	*	*			cis	-134	147.4	-9.6	-72.1	135.7	-172.6	167.1	0	109.3
806	S	32	Very low	31.7	Very low	91 Å²	91	129.4 Å²	129.4	64%	0.636	71%	0.711	S	S	*	*				-64.5	138.5	99.3	-99.5	0	0	0	0	112.8	R808	S806-R808 VanDerWaalsContact C-N 3.33Å; S806-R808 PolarHBondContact O-N 3.27Å
807	K	35.2	Very low	31.8	Very low	181.25 Å²	181.25	130.6 Å²	130.6	79%	0.788	71%	0.714	S	S	*	*				-135.8	133.3	101.4	-75.9	175.5	175.4	177.4	0	108.7
808	R	30.7	Very low	31.8	Very low	211 Å²	211	135.8 Å²	135.8	80%	0.796	72%	0.72	S	S	*	*				-145.8	138.5	83.9	-131.5	177.8	-166.3	171.8	-3.7	107.3	S806	S806-R808 VanDerWaalsContact C-N 3.33Å; S806-R808 PolarHBondContact O-N 3.27Å
809	I	31.9	Very low	32	Very low	142.25 Å²	142.25	137.7 Å²	137.7	73%	0.729	71%	0.714	S	S	*	*				58.2	120.5	116.2	-58.5	173.9	0	0	0	112.6
810	M	29.1	Very low	31.8	Very low	140.5 Å²	140.5	138.5 Å²	138.5	69%	0.692	71%	0.713	S	S	*	*			trans	-168.7	131.1	151.6	-73.7	-85	-96.4	0	0	111.3	S812	M810-S812 VanDerWaalsContact C-OG 3.31Å
811	L	30	Very low	32.1	Very low	151.25 Å²	151.25	138.3 Å²	138.3	79%	0.792	72%	0.716	S	S	*	*				-58.2	104	119.8	-66.3	174.5	0	0	0	113.7
812	S	28.9	Very low	32.2	Very low	89 Å²	89	138.1 Å²	138.1	62%	0.622	72%	0.715	S	S	*	*				122.5	126.5	89.8	70.4	0	0	0	0	113.2	M810	M810-S812 VanDerWaalsContact C-OG 3.31Å
813	K	30.7	Very low	32.1	Very low	187.75 Å²	187.75	139.9 Å²	139.9	82%	0.816	72%	0.718	S	S	*	*			trans	104.7	129.1	158.3	-76	-177.4	176.8	-177.2	0	111.5	A815	K813-A815 HydrophobicContact CB-CB 4.41Å; K813-A815 HydrophobicContact CG-CB 4.11Å
814	V	31.1	Very low	32.2	Very low	140.75 Å²	140.75	141.4 Å²	141.4	85%	0.853	73%	0.729	S	S	*	*				9.9	115.6	98.5	176.1	0	0	0	0	111.4
815	A	30.6	Very low	32.2	Very low	78.5 Å²	78.5	139.8 Å²	139.8	65%	0.649	73%	0.734	S	S	*	*				87.1	134.7	119.4	0	0	0	0	0	111.7	K813	K813-A815 HydrophobicContact CB-CB 4.41Å; K813-A815 HydrophobicContact CG-CB 4.11Å
816	S	32.9	Very low	32	Very low	104.5 Å²	104.5	143.3 Å²	143.3	73%	0.731	74%	0.743	S	S	*	*				77.7	129	93.8	133.4	0	0	0	0	112.2
817	T	31.9	Very low	32	Very low	116.75 Å²	116.75	142.9 Å²	142.9	72%	0.716	75%	0.745	S	S	*	*				8.7	125.6	98.4	56.2	0	0	0	0	112.1	K819	T817-K819 HydrophobicContact CG2-CD 3.82Å; T817-K819 HydrophobicContact CG2-CG 4.17Å
818	Y	32.2	Very low	31.8	Very low	212.5 Å²	212.5	141.2 Å²	141.2	83%	0.833	74%	0.744	S	S	*	*				-104.1	149.3	90.7	-96.8	-105.3	0	0	0	110.9
819	K	35.2	Very low	31.9	Very low	152 Å²	152	137.2 Å²	137.2	66%	0.661	74%	0.743	S	S	*	*				150	155.9	121.3	-87.9	-116.9	-179.6	-171.5	0	110.7	T817 E822	T817-K819 HydrophobicContact CG2-CD 3.82Å; T817-K819 HydrophobicContact CG2-CG 4.17Å; K819-E822 HydrophobicContact CD-CG 4.17Å; K819-E822 WeakPolarHBondContact CD-OE2 3.34Å; K819-E822 VanDerWaalsContact CE-CD 3.47Å; K819-E822 WeakPolarHBondContact CE-OE1 3.36Å; K819-E822 WeakPolarHBondContact CE-OE2 3.39Å; K819-E822 IonicContact NZ-OE1 2.7Å; K819-E822 PolarHBondContact NZ-OE1 3.23Å; K819-E822 IonicContact NZ-OE2 2.7Å; K819-E822 PolarHBondContact NZ-OE2 2.81Å
820	D	32.8	Very low	31.9	Very low	120.5 Å²	120.5	134.9 Å²	134.9	64%	0.644	74%	0.74	S	S	*	*				-131.3	156	-99.6	-54.4	-36.5	0	0	0	112.1	E822	D820-E822 HydrophobicContact CB-CG 4.29Å
821	V	35.7	Very low	32	Very low	122.75 Å²	122.75	133.4 Å²	133.4	74%	0.744	74%	0.739	S	S	*	*				-132.2	134.9	72.9	156.3	0	0	0	0	111
822	E	31.9	Very low	32.2	Very low	133.5 Å²	133.5	131.7 Å²	131.7	62%	0.624	74%	0.735	S	S	*	*				126.8	154.5	119.3	-80.2	-172.2	142	0	0	114.6	K819 D820	K819-E822 HydrophobicContact CD-CG 4.17Å; K819-E822 WeakPolarHBondContact CD-OE2 3.34Å; K819-E822 VanDerWaalsContact CE-CD 3.47Å; K819-E822 WeakPolarHBondContact CE-OE1 3.36Å; K819-E822 WeakPolarHBondContact CE-OE2 3.39Å; K819-E822 IonicContact NZ-OE1 2.7Å; K819-E822 PolarHBondContact NZ-OE1 3.23Å; K819-E822 IonicContact NZ-OE2 2.7Å; K819-E822 PolarHBondContact NZ-OE2 2.81Å; D820-E822 HydrophobicContact CB-CG 4.29Å
823	Y	33.9	Very low	32.4	Very low	203.5 Å²	203.5	131 Å²	131	80%	0.798	73%	0.729	S	S	*	*				148.6	115.2	111.9	-87.3	-88.4	0	0	0	114.7
824	S	32	Very low	32.4	Very low	112 Å²	112	127.4 Å²	127.4	78%	0.783	73%	0.726	S	S	*	*				98	104.3	79.5	134.9	0	0	0	0	115.4
825	G	33.1	Very low	32.6	Very low	74.25 Å²	74.25	127.5 Å²	127.5	77%	0.765	72%	0.72	S	S	*	*			trans	126.9	119.9	167.1	0	0	0	0	0	115
826	R	31	Very low	32.6	Very low	244.5 Å²	244.5	128.6 Å²	128.6	92%	0.923	72%	0.723	S	S	*	*				147.3	124.4	98.2	-173.5	-171.7	-174.8	-173.3	2.9	112.5
827	A	31.6	Very low	32.9	Very low	82.5 Å²	82.5	128.8 Å²	128.8	68%	0.682	72%	0.721	S	S	*	*			trans	87.2	139.5	165	0	0	0	0	0	116
828	N	30.4	Very low	33	Very low	144.75 Å²	144.75	130.2 Å²	130.2	77%	0.774	72%	0.724	S	S	*	*			cis	-142.9	146.8	-2.3	-85.6	-24.9	0	0	0	111.7
829	T	33.4	Very low	32.9	Very low	126.25 Å²	126.25	126.8 Å²	126.8	78%	0.775	72%	0.721	S	S	*	*			trans	67.3	130.8	152.2	60	0	0	0	0	115.7	E979	T829-E979 PolarHBondContact N-OE2 3.27Å
830	S	31.5	Very low	32.7	Very low	94.25 Å²	94.25	125.8 Å²	125.8	66%	0.659	73%	0.727	S	S	*	*			cis	-176.5	139.2	19	122.1	0	0	0	0	113.1	V832	S830-V832 PolarHBondContact O-N 3.25Å
831	T	31.1	Very low	32.6	Very low	109 Å²	109	123.6 Å²	123.6	67%	0.669	73%	0.725	S	S	*	*			trans	36.5	126.5	147.4	-6.4	0	0	0	0	118	P976 K977 S978	T831-P976 HydrophobicContact CG2-CB 3.75Å; T831-K977 PolarHBondContact OG1-N 3.04Å; T831-S978 PolarHBondContact N-OG 3.42Å; T831-S978 PolarHBondContact OG1-N 3.14Å
832	V	35.2	Very low	32.3	Very low	116.5 Å²	116.5	127 Å²	127	71%	0.706	73%	0.731	S	S	*	*				-152.2	125	104.7	-159.3	0	0	0	0	112.5	S830 D975 K977	S830-V832 PolarHBondContact O-N 3.25Å; V832-D975 WeakPolarHBondContact CA-OD2 3.42Å; V832-D975 WeakPolarHBondContact CB-OD2 3.13Å; V832-D975 WeakPolarHBondContact CG1-OD2 3.5Å; V832-K977 VanDerWaalsContact N-NZ 3.11Å; V832-K977 VanDerWaalsContact O-CE 3.23Å; V832-K977 WeakPolarHBondContact O-CE 3.49Å; V832-K977 WeakPolarHBondContact O-CG 3.38Å; V832-K977 PolarHBondContact O-NZ 3.33Å
833	S	31.5	Very low	32.3	Very low	73.25 Å²	73.25	126.5 Å²	126.5	51%	0.512	73%	0.732	S	S	.	*			trans	53.4	156.6	131.4	-48.7	0	0	0	0	117.2	I835 H974 D975 P976 K977	S833-I835 PolarHBondContact O-N 3.37Å; S833-H974 CarbonylContact C-O 3.59Å; S833-H974 CarbonylContact O-C 3.59Å; S833-H974 VanDerWaalsContact O-CA 3.22Å; S833-H974 WeakPolarHBondContact O-CA 3.26Å; S833-D975 VanDerWaalsContact CB-CA 3.46Å; S833-D975 PolarHBondContact N-OD2 2.91Å; S833-D975 PolarHBondContact O-N 3.44Å; S833-P976 VanDerWaalsContact OG-CA 3.25Å; S833-P976 WeakPolarHBondContact OG-CA 3.42Å; S833-P976 PolarHBondContact OG-O 3.14Å; S833-K977 WeakPolarHBondContact OG-CG 3.32Å; S833-K977 PolarHBondContact OG-N 3.08Å
834	P	32.6	Very low	32.1	Very low	113.75 Å²	113.75	125.1 Å²	125.1	74%	0.739	73%	0.733	S	S	*	*			trans	-98.6	142.6	-176.1	35.9	-30.3	0	0	0	114.1	S836 H974	P834-S836 PolarHBondContact O-N 3.38Å; P834-H974 CarbonylContact C-O 3.6Å; P834-H974 WeakPolarHBondContact CA-O 3.27Å
835	I	33.3	Very low	32.1	Very low	143 Å²	143	124.5 Å²	124.5	73%	0.733	73%	0.729	S	S	*	*			trans	-120	128.3	179.7	-63.1	174.6	0	0	0	109	S833 H974	S833-I835 PolarHBondContact O-N 3.37Å; I835-H974 HydrophobicContact CD1-CB 4.43Å; I835-H974 VanDerWaalsContact N-N 3.13Å
836	S	31.4	Very low	32.1	Very low	101 Å²	101	129 Å²	129	71%	0.706	73%	0.73	S	S	*	*			trans	-13.1	151.9	144.7	-133.6	0	0	0	0	114.4	P834	P834-S836 PolarHBondContact O-N 3.38Å
837	P	40	Very low	32.2	Very low	108 Å²	108	120.1 Å²	120.1	70%	0.701	71%	0.714	S	S	*	*			trans	-96.9	174.6	170	37	-34.3	0	0	0	112.5
838	D	32.5	Very low	32.2	Very low	146.25 Å²	146.25	119.1 Å²	119.1	78%	0.782	71%	0.705	S	S	*	*			trans	3.1	134.3	176.5	-55.8	-52.8	0	0	0	115.6
839	D	30.9	Very low	32.2	Very low	142.25 Å²	142.25	121.4 Å²	121.4	76%	0.761	71%	0.705	S	S	*	*			trans	63.7	141.8	145.4	-89.8	-27	0	0	0	119.8	I970	D839-I970 HydrophobicContact CB-CG2 4.47Å
840	V	30.2	Very low	32.1	Very low	129.25 Å²	129.25	122.5 Å²	122.5	78%	0.783	70%	0.695	S	S	*	*			trans	75	114.3	149.3	179.2	0	0	0	0	116.4
841	A	30.9	Very low	32.1	Very low	74.5 Å²	74.5	126.5 Å²	126.5	62%	0.616	70%	0.695	S	S	*	*				139.4	120.6	100.8	0	0	0	0	0	114.2
842	F	30.1	Very low	32.2	Very low	195.25 Å²	195.25	128.1 Å²	128.1	86%	0.856	70%	0.698	S	S	*	*			trans	-131.4	148.4	155.3	-98.7	-101.2	0	0	0	113.8
843	N	30.8	Very low	32	Very low	122 Å²	122	127.8 Å²	127.8	65%	0.652	70%	0.697	S	S	*	*			trans	58.2	128.8	144.4	-67.1	-6.1	0	0	0	116.2	S845	N843-S845 PolarHBondContact O-N 3.28Å
844	E	29.7	Very low	31.9	Very low	174.5 Å²	174.5	131.7 Å²	131.7	82%	0.815	71%	0.712	S	S	*	*				23.3	142.7	101.5	-80.3	179.2	147	0	0	112.6
845	S	32.6	Very low	31.8	Very low	98.75 Å²	98.75	131.4 Å²	131.4	69%	0.691	71%	0.713	S	S	*	*			trans	-179.5	140.6	150.4	22.2	0	0	0	0	111.3	N843	N843-S845 PolarHBondContact O-N 3.28Å
846	E	32.6	Very low	31.6	Very low	170.5 Å²	170.5	129.3 Å²	129.3	80%	0.797	72%	0.717	S	S	*	*				73.8	138.7	105.5	-129.9	178.8	174.5	0	0	114.6	R850	E846-R850 IonicContact OE1-NH2 2.68Å; E846-R850 IonicContact OE2-NH2 2.71Å; E846-R850 PolarHBondContact OE2-NH2 2.85Å
847	G	33.8	Very low	31.4	Very low	57 Å²	57	130 Å²	130	59%	0.588	72%	0.72	S	S	*	*			trans	125	127.8	133.2	0	0	0	0	0	113.6
848	A	30.9	Very low	30.9	Very low	60.5 Å²	60.5	129.1 Å²	129.1	50%	0.5	72%	0.717	S	S	.	*			trans	135.2	144	134.3	0	0	0	0	0	113.2	S960	A848-S960 VanDerWaalsContact C-OG 3.27Å; A848-S960 PolarHBondContact O-OG 3.24Å; A848-S960 VanDerWaalsContact O-OG 3.06Å
849	Y	31.5	Very low	30.7	Very low	192.75 Å²	192.75	129.4 Å²	129.4	76%	0.756	72%	0.718	S	S	*	*				151.2	138.3	80.5	-74.7	-93.1	0	0	0	114	S960	Y849-S960 PolarHBondContact N-OG 3.42Å
850	R	31	Very low	30.8	Very low	150 Å²	150	129.8 Å²	129.8	57%	0.566	72%	0.719	S	S	*	*				87.8	123.4	65.8	-92.7	-173.8	-174.8	-147.7	1.8	114.3	E846 M1168 R1169	E846-R850 IonicContact OE1-NH2 2.68Å; E846-R850 IonicContact OE2-NH2 2.71Å; E846-R850 PolarHBondContact OE2-NH2 2.85Å; R850-M1168 VanDerWaalsContact CZ-CB 3.41Å; R850-M1168 VanDerWaalsContact NH2-CB 3.3Å; R850-M1168 PolarHBondContact NH2-O 2.69Å; R850-R1169 PolarHBondContact NH2-O 2.91Å
851	R	30.9	Very low	30.9	Very low	177.5 Å²	177.5	129.1 Å²	129.1	67%	0.67	72%	0.717	S	S	*	*			trans	82.4	137.5	131.7	-93.8	179.5	-108.2	177	5.8	112.7	M1168	R851-M1168 HydrophobicContact CG-SD 4.15Å
852	I	33.1	Very low	30.9	Very low	143.25 Å²	143.25	133.2 Å²	133.2	74%	0.735	73%	0.727	S	S	*	*			cis	-172.6	120.9	44.5	-56.6	164.6	0	0	0	106.8	N854	I852-N854 VanDerWaalsContact CG2-OD1 3.22Å; I852-N854 WeakPolarHBondContact CG2-OD1 3.27Å
853	T	31.2	Very low	31	Very low	110.75 Å²	110.75	127.2 Å²	127.2	68%	0.679	72%	0.72	S	S	*	*				120	139.8	70.8	54.3	0	0	0	0	113.5
854	N	29.2	Very low	31.1	Very low	155.75 Å²	155.75	127.8 Å²	127.8	83%	0.833	72%	0.722	S	S	*	*			trans	-173.9	142.3	161.6	-73.8	-13	0	0	0	111.6	I852	I852-N854 VanDerWaalsContact CG2-OD1 3.22Å; I852-N854 WeakPolarHBondContact CG2-OD1 3.27Å
855	S	30.7	Very low	31.3	Very low	106.5 Å²	106.5	127.9 Å²	127.9	75%	0.745	72%	0.719	S	S	*	*				-159.6	140.4	-98.3	53.6	0	0	0	0	111.2
856	A	29	Very low	31.5	Very low	99.25 Å²	99.25	128.2 Å²	128.2	82%	0.82	72%	0.722	S	S	*	*			trans	78	121.4	166.6	0	0	0	0	0	118
857	C	27.3	Very low	31.8	Very low	115.75 Å²	115.75	127.3 Å²	127.3	78%	0.782	72%	0.717	S	S	*	*			trans	136.5	136.1	141.2	-139	0	0	0	0	115.7
858	S	29.1	Very low	32.4	Very low	89.5 Å²	89.5	131 Å²	131	63%	0.626	72%	0.724	S	S	*	*			trans	138.3	123.7	174.6	42.2	0	0	0	0	115.2
859	D	29.6	Very low	33.4	Very low	152.25 Å²	152.25	133.9 Å²	133.9	81%	0.814	74%	0.735	S	S	*	*			trans	74.9	112.3	148.8	-57.4	-44.4	0	0	0	118.5
860	I	32.8	Very low	34.7	Very low	151 Å²	151	129.1 Å²	129.1	77%	0.774	72%	0.722	S	S	*	*			trans	-123.7	136.1	153.6	-72.9	168.8	0	0	0	109.9
861	P	32.6	Very low	36.9	Very low	113.5 Å²	113.5	125.4 Å²	125.4	74%	0.737	72%	0.716	S	S	*	*			trans	-114.3	150.2	-178.6	33.7	-26.3	0	0	0	115.6	G863	P861-G863 VanDerWaalsContact C-N 3.33Å; P861-G863 PolarHBondContact O-N 3.24Å
862	I	30.6	Very low	39	Very low	160 Å²	160	125.3 Å²	125.3	82%	0.821	72%	0.721	S	S	*	*			trans	-23.3	105.3	154.1	-56.9	170.3	0	0	0	113.5	I864	I862-I864 HydrophobicContact CG2-CD1 4.13Å; I862-I864 HydrophobicContact CG2-CG1 4.03Å; I862-I864 PolarHBondContact O-N 3.46Å
863	G	31.5	Very low	41.1	Very low	69.25 Å²	69.25	124.5 Å²	124.5	71%	0.714	72%	0.717	S	S	*	*			trans	-129.7	95.6	173.5	0	0	0	0	0	116.3	P861 K865	P861-G863 VanDerWaalsContact C-N 3.33Å; P861-G863 PolarHBondContact O-N 3.24Å; G863-K865 PolarHBondContact O-N 2.97Å; G863-K865 VanDerWaalsContact O-N 3.11Å
864	I	33.3	Very low	43.4	Very low	135.5 Å²	135.5	123.7 Å²	123.7	70%	0.695	71%	0.706	S	S	*	*			trans	-68.7	127.1	156.9	-77.9	168.3	0	0	0	113	I862	I862-I864 HydrophobicContact CG2-CD1 4.13Å; I862-I864 HydrophobicContact CG2-CG1 4.03Å; I862-I864 PolarHBondContact O-N 3.46Å
865	K	33.8	Very low	45.9	Very low	175.75 Å²	175.75	122.2 Å²	122.2	76%	0.764	70%	0.695	S	S	*	*			trans	46.3	88.9	166.8	-89.1	174.2	-176.9	176.6	0	117.1	G863 H867	G863-K865 PolarHBondContact O-N 2.97Å; G863-K865 VanDerWaalsContact O-N 3.11Å; K865-H867 VanDerWaalsContact C-N 3.34Å; K865-H867 VanDerWaalsContact CE-CD2 3.46Å; K865-H867 WeakPolarHBondContact CE-CD2 3.38Å; K865-H867 WeakPolarHBondContact CE-NE2 3.35Å; K865-H867 PolarHBondContact O-N 3.19Å
866	S	36.4	Very low	48.5	Very low	106 Å²	106	122.4 Å²	122.4	74%	0.741	68%	0.684	S	S	*	*			trans	-115.9	80.8	138	62.1	0	0	0	0	112.5	T869	S866-T869 PolarHBondContact O-OG1 2.88Å
867	H	39.3	Very low	51.2	Low	152.5 Å²	152.5	124.7 Å²	124.7	71%	0.706	67%	0.672	S	S	*	*			trans	-101.5	110.7	168.9	-97.7	-74.4	0	0	0	110.6	K865 T869 T871	K865-H867 VanDerWaalsContact C-N 3.34Å; K865-H867 VanDerWaalsContact CE-CD2 3.46Å; K865-H867 WeakPolarHBondContact CE-CD2 3.38Å; K865-H867 WeakPolarHBondContact CE-NE2 3.35Å; K865-H867 PolarHBondContact O-N 3.19Å; H867-T869 VanDerWaalsContact C-N 3.28Å; H867-T869 PolarHBondContact O-N 3.29Å; H867-T871 PolarHBondContact O-N 3.23Å; H867-T871 PolarHBondContact O-OG1 3.12Å; H867-T871 VanDerWaalsContact O-OG1 3.1Å
868	D	46.2	Very low	53.9	Low	134.25 Å²	134.25	121.4 Å²	121.4	72%	0.718	65%	0.653	S	S	*	*			trans	-91.5	72.2	160.4	-67.5	-36.4	0	0	0	112.8	L870 T871 K872	D868-L870 HydrophobicContact CB-CG 4.49Å; D868-L870 PolarHBondContact O-N 3.48Å; D868-T871 PolarHBondContact O-OG1 3.48Å; D868-K872 VanDerWaalsContact O-CB 3.26Å; D868-K872 WeakPolarHBondContact O-CB 3.23Å; D868-K872 PolarHBondContact O-N 3.12Å; D868-K872 VanDerWaalsContact O-N 3.1Å
869	T	52.2	Low	56.8	Low	120 Å²	120	122.8 Å²	122.8	74%	0.736	65%	0.648	S	S	*	*			trans	-84.3	29.9	164.4	59.9	0	0	0	0	112.6	S866 H867 T871 K872 L873	S866-T869 PolarHBondContact O-OG1 2.88Å; H867-T869 VanDerWaalsContact C-N 3.28Å; H867-T869 PolarHBondContact O-N 3.29Å; T869-T871 PolarHBondContact O-N 3.17Å; T869-K872 PolarHBondContact O-N 2.87Å; T869-L873 WeakPolarHBondContact O-CG 3.39Å; T869-L873 PolarHBondContact O-N 2.99Å
870	L	59.5	Low	59.7	Low	92.25 Å²	92.25	119.9 Å²	119.9	48%	0.483	63%	0.632	S	S	.	*			trans	-59.5	124.3	159.9	-87.8	160.7	0	0	0	108.4	D868 K872 L873 E874 M875 A878	D868-L870 HydrophobicContact CB-CG 4.49Å; D868-L870 PolarHBondContact O-N 3.48Å; L870-K872 VanDerWaalsContact C-N 3.3Å; L870-K872 PolarHBondContact O-N 3.45Å; L870-L873 PolarHBondContact O-N 2.89Å; L870-L873 VanDerWaalsContact O-N 3.14Å; L870-E874 HydrophobicContact CB-CB 4.05Å; L870-E874 HydrophobicContact CD2-CB 4.05Å; L870-E874 HydrophobicContact CG-CB 4.36Å; L870-E874 WeakPolarHBondContact O-CG 3.37Å; L870-E874 PolarHBondContact O-N 2.89Å; L870-M875 HydrophobicContact CB-CB 4.45Å; L870-A878 HydrophobicContact CD1-CB 4.26Å
871	T	75.7	Confident	62.3	Low	73 Å²	73	117.4 Å²	117.4	45%	0.448	62%	0.619	S	S	.	*			trans	-59.6	165.6	175	57	0	0	0	0	111	H867 D868 T869 L873 E874 M875	H867-T871 PolarHBondContact O-N 3.23Å; H867-T871 PolarHBondContact O-OG1 3.12Å; H867-T871 VanDerWaalsContact O-OG1 3.1Å; D868-T871 PolarHBondContact O-OG1 3.48Å; T869-T871 PolarHBondContact O-N 3.17Å; T871-L873 PolarHBondContact O-N 3.27Å; T871-L873 VanDerWaalsContact O-N 3.11Å; T871-E874 VanDerWaalsContact CB-OE2 3.3Å; T871-E874 WeakPolarHBondContact CB-OE2 3.2Å; T871-E874 VanDerWaalsContact CG2-OE2 3.29Å; T871-E874 WeakPolarHBondContact CG2-OE2 3.41Å; T871-E874 PolarHBondContact N-OE2 2.99Å; T871-E874 PolarHBondContact O-N 3.09Å; T871-E874 WeakPolarHBondContact OG1-CG 3.3Å; T871-E874 PolarHBondContact OG1-N 3.32Å; T871-E874 PolarHBondContact OG1-OE2 3.14Å; T871-M875 WeakPolarHBondContact O-CB 3.43Å; T871-M875 PolarHBondContact O-N 3.25Å
872	K	75.4	Confident	64.8	Low	175.25 Å²	175.25	120.7 Å²	120.7	76%	0.762	62%	0.617	S	S	*	*	H	α-helix	trans	-55.3	-37.5	175.3	-171.2	179.6	178.5	-174.6	0	112.2	D868 T869 L870 M875 E876	D868-K872 VanDerWaalsContact O-CB 3.26Å; D868-K872 WeakPolarHBondContact O-CB 3.23Å; D868-K872 PolarHBondContact O-N 3.12Å; D868-K872 VanDerWaalsContact O-N 3.1Å; T869-K872 PolarHBondContact O-N 2.87Å; L870-K872 VanDerWaalsContact C-N 3.3Å; L870-K872 PolarHBondContact O-N 3.45Å; K872-M875 PolarHBondContact O-N 3.43Å; K872-E876 WeakPolarHBondContact O-CB 3.37Å; K872-E876 PolarHBondContact O-N 3.08Å
873	L	77.7	Confident	67.3	Low	127.5 Å²	127.5	116.9 Å²	116.9	67%	0.668	60%	0.596	S	S	*	*	H	α-helix	trans	-68.9	-40.7	176.4	-123.3	164.3	0	0	0	112.6	T869 L870 T871 M875 E876 R877	T869-L873 WeakPolarHBondContact O-CG 3.39Å; T869-L873 PolarHBondContact O-N 2.99Å; L870-L873 PolarHBondContact O-N 2.89Å; L870-L873 VanDerWaalsContact O-N 3.14Å; T871-L873 PolarHBondContact O-N 3.27Å; T871-L873 VanDerWaalsContact O-N 3.11Å; L873-M875 VanDerWaalsContact C-N 3.33Å; L873-M875 PolarHBondContact O-N 3.06Å; L873-E876 PolarHBondContact O-N 3Å; L873-R877 VanDerWaalsContact O-CB 3.28Å; L873-R877 WeakPolarHBondContact O-CB 3.28Å; L873-R877 PolarHBondContact O-N 3.31Å
874	E	79.5	Confident	69.7	Low	93.5 Å²	93.5	118.3 Å²	118.3	44%	0.437	59%	0.587	S	S	.	*	H	α-helix	trans	-69.2	-35.2	174.5	-70.4	167.4	120.5	0	0	112.4	L870 T871 R877 A878	L870-E874 HydrophobicContact CB-CB 4.05Å; L870-E874 HydrophobicContact CD2-CB 4.05Å; L870-E874 HydrophobicContact CG-CB 4.36Å; L870-E874 WeakPolarHBondContact O-CG 3.37Å; L870-E874 PolarHBondContact O-N 2.89Å; T871-E874 VanDerWaalsContact CB-OE2 3.3Å; T871-E874 WeakPolarHBondContact CB-OE2 3.2Å; T871-E874 VanDerWaalsContact CG2-OE2 3.29Å; T871-E874 WeakPolarHBondContact CG2-OE2 3.41Å; T871-E874 PolarHBondContact N-OE2 2.99Å; T871-E874 PolarHBondContact O-N 3.09Å; T871-E874 WeakPolarHBondContact OG1-CG 3.3Å; T871-E874 PolarHBondContact OG1-N 3.32Å; T871-E874 PolarHBondContact OG1-OE2 3.14Å; E874-R877 PolarHBondContact O-N 3.29Å; E874-A878 VanDerWaalsContact O-CB 3.26Å; E874-A878 WeakPolarHBondContact O-CB 3.34Å; E874-A878 PolarHBondContact O-N 3.14Å
875	M	81.3	Confident	71.8	Confident	123 Å²	123	115 Å²	115	61%	0.606	58%	0.576	S	S	*	*	H	α-helix	trans	-67.9	-41	174.5	-166.5	-174.7	-58.8	0	0	111.6	L870 T871 K872 L873 A878 K879	L870-M875 HydrophobicContact CB-CB 4.45Å; T871-M875 WeakPolarHBondContact O-CB 3.43Å; T871-M875 PolarHBondContact O-N 3.25Å; K872-M875 PolarHBondContact O-N 3.43Å; L873-M875 VanDerWaalsContact C-N 3.33Å; L873-M875 PolarHBondContact O-N 3.06Å; M875-A878 PolarHBondContact O-N 3.05Å; M875-K879 WeakPolarHBondContact O-CB 3.32Å; M875-K879 PolarHBondContact O-N 3.11Å
876	E	85.6	Confident	73.8	Confident	110.75 Å²	110.75	111.6 Å²	111.6	52%	0.518	57%	0.565	S	S	.	*	H	α-helix	trans	-63.8	-44	171.1	-158.1	-173.4	-177.6	0	0	111.5	K872 L873 A878 K879 L880	K872-E876 WeakPolarHBondContact O-CB 3.37Å; K872-E876 PolarHBondContact O-N 3.08Å; L873-E876 PolarHBondContact O-N 3Å; E876-A878 VanDerWaalsContact C-N 3.3Å; E876-A878 PolarHBondContact O-N 3.02Å; E876-K879 WeakPolarHBondContact O-CB 3.2Å; E876-K879 PolarHBondContact O-N 3.02Å; E876-L880 HydrophobicContact CG-CD1 4.25Å; E876-L880 WeakPolarHBondContact O-CB 3.28Å; E876-L880 WeakPolarHBondContact O-CG 3.43Å; E876-L880 PolarHBondContact O-N 3.18Å
877	R	86.4	Confident	75.6	Confident	147.5 Å²	147.5	110.8 Å²	110.8	56%	0.557	55%	0.552	S	S	*	*	H	α-helix	trans	-60.1	-41.1	173.8	-173.5	179.5	-177.8	-147	2.8	112	S463 L873 E874 L880 L881	S463-R877 PolarHBondContact O-NH1 3.09Å; S463-R877 PolarHBondContact O-NH2 3.45Å; S463-R877 PolarHBondContact OG-NH1 3.21Å; S463-R877 PolarHBondContact OG-NH2 3.42Å; L873-R877 VanDerWaalsContact O-CB 3.28Å; L873-R877 WeakPolarHBondContact O-CB 3.28Å; L873-R877 PolarHBondContact O-N 3.31Å; E874-R877 PolarHBondContact O-N 3.29Å; R877-L880 PolarHBondContact O-N 3.16Å; R877-L881 HydrophobicContact CG-CD1 4.22Å; R877-L881 WeakPolarHBondContact O-CB 3.38Å; R877-L881 VanDerWaalsContact O-CG 3.27Å; R877-L881 WeakPolarHBondContact O-CG 3.36Å; R877-L881 PolarHBondContact O-N 3.02Å
878	A	83.4	Confident	76.6	Confident	46.5 Å²	46.5	108.3 Å²	108.3	38%	0.384	54%	0.544	S	S	.	.	H	α-helix	trans	-67.8	-35.8	175.6	0	0	0	0	0	112.4	L870 E874 M875 E876 R882	L870-A878 HydrophobicContact CD1-CB 4.26Å; E874-A878 VanDerWaalsContact O-CB 3.26Å; E874-A878 WeakPolarHBondContact O-CB 3.34Å; E874-A878 PolarHBondContact O-N 3.14Å; M875-A878 PolarHBondContact O-N 3.05Å; E876-A878 VanDerWaalsContact C-N 3.3Å; E876-A878 PolarHBondContact O-N 3.02Å; A878-R882 WeakPolarHBondContact O-CB 3.41Å; A878-R882 PolarHBondContact O-N 2.92Å; A878-R882 VanDerWaalsContact O-N 3.1Å
879	K	89.3	Confident	77	Confident	120 Å²	120	107.6 Å²	107.6	52%	0.522	54%	0.54	S	S	.	.	H	α-helix	trans	-64.8	-49.8	172.4	-177.4	179.7	174.7	-124.5	0	111.2	M875 E876 L881 R882 E883	M875-K879 WeakPolarHBondContact O-CB 3.32Å; M875-K879 PolarHBondContact O-N 3.11Å; E876-K879 WeakPolarHBondContact O-CB 3.2Å; E876-K879 PolarHBondContact O-N 3.02Å; K879-L881 VanDerWaalsContact C-N 3.34Å; K879-L881 PolarHBondContact O-N 3.12Å; K879-R882 CarbonylContact O-C 3.54Å; K879-R882 WeakPolarHBondContact O-CA 3.35Å; K879-R882 WeakPolarHBondContact O-CB 3.42Å; K879-R882 PolarHBondContact O-N 3.25Å; K879-R882 VanDerWaalsContact O-N 3.1Å; K879-E883 WeakPolarHBondContact CE-OE1 3.32Å; K879-E883 WeakPolarHBondContact CG-OE1 3.14Å; K879-E883 VanDerWaalsContact NZ-CD 3.3Å; K879-E883 IonicContact NZ-OE1 3.15Å; K879-E883 PolarHBondContact NZ-OE1 3.03Å; K879-E883 IonicContact NZ-OE2 3.66Å; K879-E883 PolarHBondContact NZ-OE2 2.89Å; K879-E883 WeakPolarHBondContact O-CB 3.19Å; K879-E883 WeakPolarHBondContact O-CG 3.33Å; K879-E883 PolarHBondContact O-N 3Å
880	L	91.3	Very high	77.1	Confident	90.75 Å²	90.75	108.6 Å²	108.6	48%	0.475	54%	0.537	S	S	.	.	H	α-helix	trans	-60.9	-40.8	177.2	-72.3	169.3	0	0	0	112.2	E876 R877 R882 E883 L884	E876-L880 HydrophobicContact CG-CD1 4.25Å; E876-L880 WeakPolarHBondContact O-CB 3.28Å; E876-L880 WeakPolarHBondContact O-CG 3.43Å; E876-L880 PolarHBondContact O-N 3.18Å; R877-L880 PolarHBondContact O-N 3.16Å; L880-R882 VanDerWaalsContact C-N 3.32Å; L880-R882 PolarHBondContact O-N 3.05Å; L880-E883 PolarHBondContact O-N 3.14Å; L880-L884 VanDerWaalsContact O-CB 3.28Å; L880-L884 WeakPolarHBondContact O-CB 3.27Å; L880-L884 VanDerWaalsContact O-CG 3.25Å; L880-L884 WeakPolarHBondContact O-CG 3.3Å; L880-L884 PolarHBondContact O-N 3.16Å
881	L	86.3	Confident	76.7	Confident	98.25 Å²	98.25	109.6 Å²	109.6	51%	0.514	55%	0.546	S	S	.	.	H	α-helix	trans	-65.1	-34.9	174.2	-74.8	169.6	0	0	0	112.5	R877 K879 S885	R877-L881 HydrophobicContact CG-CD1 4.22Å; R877-L881 WeakPolarHBondContact O-CB 3.38Å; R877-L881 VanDerWaalsContact O-CG 3.27Å; R877-L881 WeakPolarHBondContact O-CG 3.36Å; R877-L881 PolarHBondContact O-N 3.02Å; K879-L881 VanDerWaalsContact C-N 3.34Å; K879-L881 PolarHBondContact O-N 3.12Å; L881-S885 VanDerWaalsContact O-CB 3.27Å; L881-S885 WeakPolarHBondContact O-CB 3.33Å; L881-S885 PolarHBondContact O-N 3.28Å; L881-S885 PolarHBondContact O-OG 3.09Å
882	R	85.9	Confident	75.3	Confident	183.5 Å²	183.5	112.8 Å²	112.8	69%	0.692	56%	0.559	S	S	*	*	H	α-helix	trans	-68.8	-44	173.4	-176.9	178.1	-72.1	160.9	-1.9	111.6	A878 K879 L880 S885 L886	A878-R882 WeakPolarHBondContact O-CB 3.41Å; A878-R882 PolarHBondContact O-N 2.92Å; A878-R882 VanDerWaalsContact O-N 3.1Å; K879-R882 CarbonylContact O-C 3.54Å; K879-R882 WeakPolarHBondContact O-CA 3.35Å; K879-R882 WeakPolarHBondContact O-CB 3.42Å; K879-R882 PolarHBondContact O-N 3.25Å; K879-R882 VanDerWaalsContact O-N 3.1Å; L880-R882 VanDerWaalsContact C-N 3.32Å; L880-R882 PolarHBondContact O-N 3.05Å; R882-S885 WeakPolarHBondContact O-CB 3.33Å; R882-S885 PolarHBondContact O-N 3.42Å; R882-S885 VanDerWaalsContact O-N 3.14Å; R882-L886 HydrophobicContact CG-CD1 4.32Å; R882-L886 WeakPolarHBondContact O-CG 3.29Å; R882-L886 PolarHBondContact O-N 2.99Å
883	E	83.7	Confident	73.5	Confident	80.5 Å²	80.5	107.2 Å²	107.2	38%	0.376	55%	0.551	S	S	.	*	H	α-helix	trans	-65.9	-42.9	177.5	-74	173.2	-171.1	0	0	111.7	K879 L880 S885 L886 L887	K879-E883 WeakPolarHBondContact CE-OE1 3.32Å; K879-E883 WeakPolarHBondContact CG-OE1 3.14Å; K879-E883 VanDerWaalsContact NZ-CD 3.3Å; K879-E883 IonicContact NZ-OE1 3.15Å; K879-E883 PolarHBondContact NZ-OE1 3.03Å; K879-E883 IonicContact NZ-OE2 3.66Å; K879-E883 PolarHBondContact NZ-OE2 2.89Å; K879-E883 WeakPolarHBondContact O-CB 3.19Å; K879-E883 WeakPolarHBondContact O-CG 3.33Å; K879-E883 PolarHBondContact O-N 3Å; L880-E883 PolarHBondContact O-N 3.14Å; E883-S885 VanDerWaalsContact C-N 3.29Å; E883-S885 PolarHBondContact O-N 3.02Å; E883-L886 PolarHBondContact O-N 2.88Å; E883-L886 VanDerWaalsContact O-N 3.16Å; E883-L887 WeakPolarHBondContact O-CB 3.29Å; E883-L887 VanDerWaalsContact O-CG 3.3Å; E883-L887 WeakPolarHBondContact O-CG 3.32Å; E883-L887 PolarHBondContact O-N 3.11Å
884	L	81.4	Confident	71.4	Confident	99 Å²	99	104.2 Å²	104.2	52%	0.518	55%	0.551	S	S	.	*	H	α-helix	trans	-62.8	-33.4	172.2	-72.9	169.3	0	0	0	112.9	L880 L887 N888	L880-L884 VanDerWaalsContact O-CB 3.28Å; L880-L884 WeakPolarHBondContact O-CB 3.27Å; L880-L884 VanDerWaalsContact O-CG 3.25Å; L880-L884 WeakPolarHBondContact O-CG 3.3Å; L880-L884 PolarHBondContact O-N 3.16Å; L884-L887 PolarHBondContact O-N 3.46Å; L884-N888 WeakPolarHBondContact O-CB 3.28Å; L884-N888 PolarHBondContact O-N 3.05Å; L884-N888 PolarHBondContact O-ND2 2.86Å
885	S	76.4	Confident	69.5	Low	66.25 Å²	66.25	105.1 Å²	105.1	46%	0.463	57%	0.567	S	S	.	*	H	α-helix	trans	-70.5	-37.8	174.7	-115.9	0	0	0	0	112.1	L881 R882 E883 N889	L881-S885 VanDerWaalsContact O-CB 3.27Å; L881-S885 WeakPolarHBondContact O-CB 3.33Å; L881-S885 PolarHBondContact O-N 3.28Å; L881-S885 PolarHBondContact O-OG 3.09Å; R882-S885 WeakPolarHBondContact O-CB 3.33Å; R882-S885 PolarHBondContact O-N 3.42Å; R882-S885 VanDerWaalsContact O-N 3.14Å; E883-S885 VanDerWaalsContact C-N 3.29Å; E883-S885 PolarHBondContact O-N 3.02Å; S885-N889 VanDerWaalsContact O-CG 3.23Å; S885-N889 PolarHBondContact O-N 2.99Å; S885-N889 VanDerWaalsContact O-N 3.12Å; S885-N889 PolarHBondContact O-ND2 3.15Å; S885-N889 VanDerWaalsContact O-ND2 3.12Å
886	L	76.7	Confident	67.3	Low	104.25 Å²	104.25	111.2 Å²	111.2	55%	0.546	58%	0.584	S	S	.	*	H	α-helix	trans	-66.7	-47	173.2	-69.4	167.5	0	0	0	111	R882 E883 N888 N889 E890	R882-L886 HydrophobicContact CG-CD1 4.32Å; R882-L886 WeakPolarHBondContact O-CG 3.29Å; R882-L886 PolarHBondContact O-N 2.99Å; E883-L886 PolarHBondContact O-N 2.88Å; E883-L886 VanDerWaalsContact O-N 3.16Å; L886-N888 PolarHBondContact O-N 3.11Å; L886-N889 CarbonylContact O-C 3.59Å; L886-N889 WeakPolarHBondContact O-CA 3.42Å; L886-N889 WeakPolarHBondContact O-CB 3.38Å; L886-N889 PolarHBondContact O-N 3.04Å; L886-N889 VanDerWaalsContact O-N 3.12Å; L886-E890 WeakPolarHBondContact O-CB 3.33Å; L886-E890 PolarHBondContact O-N 2.86Å
887	L	74.3	Confident	65	Low	88.75 Å²	88.75	109.5 Å²	109.5	47%	0.465	60%	0.595	S	S	.	*	H	α-helix	trans	-61.7	-39.2	177.5	-73.7	165.7	0	0	0	112.8	E883 L884 N889 E890 V891	E883-L887 WeakPolarHBondContact O-CB 3.29Å; E883-L887 VanDerWaalsContact O-CG 3.3Å; E883-L887 WeakPolarHBondContact O-CG 3.32Å; E883-L887 PolarHBondContact O-N 3.11Å; L884-L887 PolarHBondContact O-N 3.46Å; L887-N889 VanDerWaalsContact C-N 3.29Å; L887-N889 PolarHBondContact O-N 3.15Å; L887-E890 PolarHBondContact O-N 2.99Å; L887-E890 VanDerWaalsContact O-N 3.13Å; L887-V891 VanDerWaalsContact O-CB 3.3Å; L887-V891 WeakPolarHBondContact O-CB 3.35Å; L887-V891 VanDerWaalsContact O-CG2 3.29Å; L887-V891 WeakPolarHBondContact O-CG2 3.3Å; L887-V891 PolarHBondContact O-N 3.18Å
888	N	59.7	Low	62.6	Low	99.5 Å²	99.5	111.9 Å²	111.9	53%	0.532	61%	0.61	S	S	.	*	H	α-helix	trans	-64.9	-32.1	173.8	-88.8	-30.2	0	0	0	112.8	L884 L886 E890 I892	L884-N888 WeakPolarHBondContact O-CB 3.28Å; L884-N888 PolarHBondContact O-N 3.05Å; L884-N888 PolarHBondContact O-ND2 2.86Å; L886-N888 PolarHBondContact O-N 3.11Å; N888-E890 VanDerWaalsContact C-N 3.33Å; N888-E890 PolarHBondContact O-N 3.3Å; N888-I892 WeakPolarHBondContact O-CB 3.41Å; N888-I892 WeakPolarHBondContact O-CG1 3.39Å; N888-I892 PolarHBondContact O-N 3.28Å; N888-I892 VanDerWaalsContact O-N 3.14Å
889	N	54.4	Low	60.2	Low	120.5 Å²	120.5	116.3 Å²	116.3	64%	0.644	63%	0.632	S	S	*	*	H	α-helix	trans	-75.5	-27.7	174.6	-69.4	-33.9	0	0	0	112.5	S885 L886 L887 G893	S885-N889 VanDerWaalsContact O-CG 3.23Å; S885-N889 PolarHBondContact O-N 2.99Å; S885-N889 VanDerWaalsContact O-N 3.12Å; S885-N889 PolarHBondContact O-ND2 3.15Å; S885-N889 VanDerWaalsContact O-ND2 3.12Å; L886-N889 CarbonylContact O-C 3.59Å; L886-N889 WeakPolarHBondContact O-CA 3.42Å; L886-N889 WeakPolarHBondContact O-CB 3.38Å; L886-N889 PolarHBondContact O-N 3.04Å; L886-N889 VanDerWaalsContact O-N 3.12Å; L887-N889 VanDerWaalsContact C-N 3.29Å; L887-N889 PolarHBondContact O-N 3.15Å; N889-G893 WeakPolarHBondContact O-CA 3.36Å; N889-G893 PolarHBondContact O-N 3.16Å; N889-G893 VanDerWaalsContact O-N 3.11Å
890	E	54.8	Low	57.6	Low	141 Å²	141	115.8 Å²	115.8	66%	0.659	64%	0.644	S	S	*	*	H	α-helix	trans	-80.8	-42.6	176.5	-120.8	179.1	159.1	0	0	112	L886 L887 N888 I892 G893	L886-E890 WeakPolarHBondContact O-CB 3.33Å; L886-E890 PolarHBondContact O-N 2.86Å; L887-E890 PolarHBondContact O-N 2.99Å; L887-E890 VanDerWaalsContact O-N 3.13Å; N888-E890 VanDerWaalsContact C-N 3.33Å; N888-E890 PolarHBondContact O-N 3.3Å; E890-I892 VanDerWaalsContact C-N 3.26Å; E890-I892 PolarHBondContact O-N 3.2Å; E890-G893 PolarHBondContact O-N 3.17Å; E890-G893 VanDerWaalsContact O-N 3.13Å
891	V	51.7	Low	54.7	Low	112.75 Å²	112.75	116.7 Å²	116.7	68%	0.683	66%	0.657	S	S	*	*	H	α-helix	trans	-75.4	-23.1	-177.1	174.9	0	0	0	0	113	L887	L887-V891 VanDerWaalsContact O-CB 3.3Å; L887-V891 WeakPolarHBondContact O-CB 3.35Å; L887-V891 VanDerWaalsContact O-CG2 3.29Å; L887-V891 WeakPolarHBondContact O-CG2 3.3Å; L887-V891 PolarHBondContact O-N 3.18Å
892	I	46.8	Very low	52.2	Low	139.75 Å²	139.75	118.4 Å²	118.4	72%	0.717	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-2.7	175.5	-55.1	177.2	0	0	0	111.8	N888 E890 G894	N888-I892 WeakPolarHBondContact O-CB 3.41Å; N888-I892 WeakPolarHBondContact O-CG1 3.39Å; N888-I892 PolarHBondContact O-N 3.28Å; N888-I892 VanDerWaalsContact O-N 3.14Å; E890-I892 VanDerWaalsContact C-N 3.26Å; E890-I892 PolarHBondContact O-N 3.2Å; I892-G894 VanDerWaalsContact C-N 3.34Å; I892-G894 PolarHBondContact O-N 3.12Å
893	G	37.6	Very low	49.6	Very low	56.75 Å²	56.75	114.9 Å²	114.9	59%	0.585	67%	0.671	S	S	*	*			trans	-91.4	21.3	176.9	0	0	0	0	0	115.9	N889 E890 S895	N889-G893 WeakPolarHBondContact O-CA 3.36Å; N889-G893 PolarHBondContact O-N 3.16Å; N889-G893 VanDerWaalsContact O-N 3.11Å; E890-G893 PolarHBondContact O-N 3.17Å; E890-G893 VanDerWaalsContact O-N 3.13Å; G893-S895 PolarHBondContact O-N 2.95Å
894	G	33.3	Very low	47.3	Very low	64.75 Å²	64.75	118.3 Å²	118.3	67%	0.668	69%	0.69	S	S	*	*			trans	-94.8	68.4	-167	0	0	0	0	0	117	I892	I892-G894 VanDerWaalsContact C-N 3.34Å; I892-G894 PolarHBondContact O-N 3.12Å
895	S	39.6	Very low	45	Very low	112.5 Å²	112.5	120.1 Å²	120.1	79%	0.787	70%	0.7	S	S	*	*	S	Bend	trans	153.6	109.4	166.9	-0	0	0	0	0	117.7	G893	G893-S895 PolarHBondContact O-N 2.95Å
896	R	35.5	Very low	43	Very low	251.75 Å²	251.75	124.7 Å²	124.7	95%	0.95	72%	0.716	S	S	*	*			trans	63.7	104.9	151.8	-78.8	178.3	169.4	179.5	-4	116.5
897	G	35.7	Very low	41	Very low	74 Å²	74	126.1 Å²	126.1	76%	0.763	73%	0.725	S	S	*	*				-164.4	135.4	122.5	0	0	0	0	0	115.3	T899	G897-T899 PolarHBondContact O-N 2.94Å; G897-T899 VanDerWaalsContact O-N 3.07Å
898	K	36.3	Very low	39.1	Very low	199.5 Å²	199.5	128.9 Å²	128.9	87%	0.867	74%	0.74	S	S	*	*			trans	-110.2	137.6	156.4	-82.1	179.6	177	179.5	0	110	S900	K898-S900 PolarHBondContact O-N 2.98Å
899	T	34.1	Very low	38	Very low	137.75 Å²	137.75	128.6 Å²	128.6	85%	0.845	75%	0.746	S	S	*	*			trans	-96.2	130.2	-177.9	55.5	0	0	0	0	112.7	G897	G897-T899 PolarHBondContact O-N 2.94Å; G897-T899 VanDerWaalsContact O-N 3.07Å
900	S	33.6	Very low	37	Very low	110.75 Å²	110.75	129.6 Å²	129.6	77%	0.774	75%	0.751	S	S	*	*			trans	-130.7	116.7	148	125.8	0	0	0	0	112.1	K898 V902	K898-S900 PolarHBondContact O-N 2.98Å; S900-V902 PolarHBondContact O-N 3.5Å; S900-V902 VanDerWaalsContact O-N 3.09Å
901	S	30.6	Very low	36.1	Very low	108.25 Å²	108.25	134.1 Å²	134.1	76%	0.757	76%	0.762	S	S	*	*			trans	-79.9	125.7	172.5	52	0	0	0	0	111.3
902	V	33.9	Very low	35.3	Very low	134.75 Å²	134.75	137.5 Å²	137.5	82%	0.817	77%	0.767	S	S	*	*			trans	-119.8	109.8	160.7	-180	0	0	0	0	108.1	S900 I904	S900-V902 PolarHBondContact O-N 3.5Å; S900-V902 VanDerWaalsContact O-N 3.09Å; V902-I904 VanDerWaalsContact C-N 3.32Å; V902-I904 HydrophobicContact CG1-CD1 4.24Å; V902-I904 HydrophobicContact CG1-CG1 3.86Å; V902-I904 PolarHBondContact O-N 3.03Å; V902-I904 VanDerWaalsContact O-N 3.09Å
903	T	31.7	Very low	34.6	Very low	109.5 Å²	109.5	141.7 Å²	141.7	67%	0.672	77%	0.774	S	S	*	*			trans	-85.6	131.6	-179.3	-40.8	0	0	0	0	110.3	N905	T903-N905 WeakPolarHBondContact CG2-OD1 3.46Å; T903-N905 PolarHBondContact O-N 3.14Å
904	I	35.2	Very low	34.4	Very low	153 Å²	153	143.2 Å²	143.2	79%	0.785	78%	0.781	S	S	*	*			trans	-107.8	124.9	155	-54.8	173	0	0	0	108.7	V902	V902-I904 VanDerWaalsContact C-N 3.32Å; V902-I904 HydrophobicContact CG1-CD1 4.24Å; V902-I904 HydrophobicContact CG1-CG1 3.86Å; V902-I904 PolarHBondContact O-N 3.03Å; V902-I904 VanDerWaalsContact O-N 3.09Å
905	N	33.6	Very low	34.5	Very low	136.5 Å²	136.5	148.8 Å²	148.8	73%	0.73	79%	0.79	S	S	*	*			trans	-76.1	137.6	166.5	-73	-14.9	0	0	0	114	T903	T903-N905 WeakPolarHBondContact CG2-OD1 3.46Å; T903-N905 PolarHBondContact O-N 3.14Å
906	M	34.1	Very low	34.1	Very low	162.5 Å²	162.5	148.7 Å²	148.7	80%	0.8	79%	0.789	S	S	*	*			trans	25.6	134.2	150.7	-77.1	-85.1	159.1	0	0	115.2
907	D	35.5	Very low	33.9	Very low	133.75 Å²	133.75	141.2 Å²	141.2	72%	0.715	78%	0.776	S	S	*	*			trans	140.1	124.2	147.3	-94.4	-22.8	0	0	0	117.9	S909	D907-S909 PolarHBondContact O-N 2.8Å; D907-S909 VanDerWaalsContact O-N 3.15Å
908	N	33.8	Very low	33.9	Very low	147.25 Å²	147.25	144.5 Å²	144.5	79%	0.787	78%	0.775	S	S	*	*			trans	-2.1	127	152.8	-72	-62.4	0	0	0	117.7
909	S	36.2	Very low	33.7	Very low	93.25 Å²	93.25	144 Å²	144	65%	0.652	77%	0.773	S	S	*	*			trans	-171.7	133.6	139.1	74.9	0	0	0	0	117.2	D907	D907-S909 PolarHBondContact O-N 2.8Å; D907-S909 VanDerWaalsContact O-N 3.15Å
910	N	33.5	Very low	33.7	Very low	142 Å²	142	142.3 Å²	142.3	76%	0.759	76%	0.762	S	S	*	*			trans	37.9	114.1	141.3	-68.1	-54	0	0	0	120.7
911	R	36.2	Very low	33.7	Very low	234.25 Å²	234.25	143.8 Å²	143.8	88%	0.884	76%	0.762	S	S	*	*				179.8	124.7	123.1	-90.2	170.7	-156.1	-165.6	2.3	117.1
912	K	35.2	Very low	33.9	Very low	184.25 Å²	184.25	145.4 Å²	145.4	80%	0.801	76%	0.762	S	S	*	*			trans	43.8	128.4	148.2	-69.8	178.9	175.1	176.6	0	119.8
913	R	31.7	Very low	34	Very low	228.5 Å²	228.5	146 Å²	146	86%	0.862	76%	0.759	S	S	*	*				76.3	120.1	126	-169.7	-177.6	-82.7	-178.3	-7.7	117.9
914	A	33.1	Very low	34.2	Very low	88.75 Å²	88.75	146.3 Å²	146.3	73%	0.733	76%	0.763	S	S	*	*				101.5	163.3	104.7	0	0	0	0	0	114.7
915	Q	36	Very low	34.2	Very low	181.25 Å²	181.25	144.1 Å²	144.1	85%	0.847	76%	0.761	S	S	*	*				-135.8	157.7	-96.2	-97.6	171.4	-52	0	0	110.6
916	S	31.7	Very low	34.5	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	76%	0.763	S	S	*	*			trans	63.7	156.7	154.7	61.4	0	0	0	0	115.1
917	S	30.6	Very low	34.5	Very low	95 Å²	95	144.5 Å²	144.5	66%	0.664	76%	0.764	S	S	*	*			cis	-158.9	163.6	-14.2	51.4	0	0	0	0	111.1
918	L	34.6	Very low	34.6	Very low	143.75 Å²	143.75	145.6 Å²	145.6	75%	0.753	77%	0.769	S	S	*	*			trans	83.1	140.3	149.1	-63.9	173.4	0	0	0	116.1	V920	L918-V920 HydrophobicContact CB-CG2 3.88Å; L918-V920 HydrophobicContact CD2-CG2 3.57Å; L918-V920 HydrophobicContact CG-CG2 4.33Å
919	F	32.7	Very low	34.6	Very low	188.5 Å²	188.5	146.9 Å²	146.9	83%	0.827	77%	0.767	S	S	*	*			trans	-127.7	141.2	130.3	-86.9	-118.8	0	0	0	111.4
920	V	35.2	Very low	34.4	Very low	101 Å²	101	152.9 Å²	152.9	61%	0.612	78%	0.776	S	S	*	*				131.3	134.4	65.4	-177.5	0	0	0	0	112.1	L918	L918-V920 HydrophobicContact CB-CG2 3.88Å; L918-V920 HydrophobicContact CD2-CG2 3.57Å; L918-V920 HydrophobicContact CG-CG2 4.33Å
921	D	33.7	Very low	34.5	Very low	142.25 Å²	142.25	150.6 Å²	150.6	76%	0.761	77%	0.767	S	S	*	*			trans	67.1	151.3	150.9	-56.8	-17.9	0	0	0	123.4
922	D	34.1	Very low	34.4	Very low	142 Å²	142	146.3 Å²	146.3	76%	0.759	76%	0.757	S	S	*	*			trans	104.4	130	174.4	-84.8	-25	0	0	0	118.3
923	I	36.3	Very low	34.4	Very low	148.25 Å²	148.25	143.6 Å²	143.6	76%	0.76	75%	0.751	S	S	*	*				66.5	129.5	122.3	-65.3	173.1	0	0	0	115.6
924	P	36.3	Very low	34.5	Very low	115.25 Å²	115.25	139.8 Å²	139.8	75%	0.748	75%	0.748	S	S	*	*				-121.6	163.4	116.9	37.2	-23.4	0	0	0	116
925	S	35.2	Very low	34.6	Very low	107.75 Å²	107.75	140.8 Å²	140.8	75%	0.753	75%	0.75	S	S	*	*			trans	-13.5	167	161.8	-39.4	0	0	0	0	115
926	P	39.6	Very low	34.5	Very low	117.75 Å²	117.75	141.3 Å²	141.3	77%	0.765	75%	0.749	S	S	*	*			cis	-135.8	179.6	42	36.6	-20.2	0	0	0	114.9
927	K	34.1	Very low	34.4	Very low	187.75 Å²	187.75	141.5 Å²	141.5	82%	0.816	75%	0.749	S	S	*	*			trans	-146.3	138.4	154.6	-69.4	161.3	-175.9	170.4	0	114.1
928	L	36.5	Very low	34.3	Very low	157 Å²	157	145.3 Å²	145.3	82%	0.822	76%	0.756	S	S	*	*			trans	122.8	146	142.5	-71	170	0	0	0	115.7
929	K	34.3	Very low	34.1	Very low	174.5 Å²	174.5	145.3 Å²	145.3	76%	0.759	76%	0.756	S	S	*	*				164.7	148	80.7	-94.3	172.3	-175.7	175.4	0	112.7	L947 T948	K929-L947 PolarHBondContact NZ-O 3.21Å; K929-T948 PolarHBondContact NZ-O 3.09Å
930	R	32.4	Very low	34.1	Very low	219.25 Å²	219.25	142.2 Å²	142.2	83%	0.827	75%	0.753	S	S	*	*			trans	129.6	146	152.1	-131.5	-170.7	173	106.6	1.2	110.9
931	V	35.2	Very low	33.8	Very low	93.75 Å²	93.75	142.4 Å²	142.4	57%	0.568	76%	0.758	S	S	*	*			cis	118.7	139.5	-1.5	152.5	0	0	0	0	110
932	E	34.3	Very low	33.7	Very low	144.75 Å²	144.75	142.7 Å²	142.7	68%	0.676	76%	0.758	S	S	*	*				138.2	164	85.6	-95.4	169.2	-149.6	0	0	113.9
933	N	34.3	Very low	33.7	Very low	126.75 Å²	126.75	144.2 Å²	144.2	68%	0.678	76%	0.761	S	S	*	*			trans	125.3	142.5	138.7	-86.6	-19.1	0	0	0	116.4
934	N	33.9	Very low	33.4	Very low	149.25 Å²	149.25	142 Å²	142	80%	0.798	76%	0.759	S	S	*	*			trans	24	144.8	131.2	-73.6	-25.1	0	0	0	117.9
935	S	35.9	Very low	33.5	Very low	110 Å²	110	142.1 Å²	142.1	77%	0.769	76%	0.76	S	S	*	*			trans	-179.7	141.1	147.2	58.4	0	0	0	0	114.4
936	K	33.4	Very low	33.2	Very low	192.25 Å²	192.25	141.2 Å²	141.2	84%	0.836	76%	0.758	S	S	*	*				118.3	146.2	90.1	-141.6	-177.7	-179.8	-175	0	113.6
937	C	29.5	Very low	32.7	Very low	115.25 Å²	115.25	143.3 Å²	143.3	78%	0.779	76%	0.762	S	S	*	*			trans	148	146.4	164.8	-68.7	0	0	0	0	111.8
938	E	28	Very low	32.4	Very low	175 Å²	175	140.1 Å²	140.1	82%	0.818	76%	0.758	S	S	*	*			cis	-162.6	137.9	-0.7	-171.7	175.5	178.1	0	0	109.1
939	L	32	Very low	32.2	Very low	144 Å²	144	137 Å²	137	75%	0.754	75%	0.75	S	S	*	*			trans	-2.2	131.6	-179.5	-86.1	107.4	0	0	0	115.3
940	V	31.3	Very low	32.2	Very low	123 Å²	123	134.9 Å²	134.9	75%	0.745	75%	0.747	S	S	*	*				163.3	116.5	82.9	-177.2	0	0	0	0	112.1	I942	V940-I942 HydrophobicContact CG1-CD1 3.56Å; V940-I942 HydrophobicContact CG1-CG1 4.16Å
941	S	29.6	Very low	32.2	Very low	104.75 Å²	104.75	130.7 Å²	130.7	73%	0.733	74%	0.741	S	S	*	*				1.3	137.3	123.8	-82.6	0	0	0	0	114.8
942	I	32.5	Very low	32.2	Very low	147.5 Å²	147.5	133.4 Å²	133.4	76%	0.756	75%	0.751	S	S	*	*			trans	77.2	128.8	142.8	-63.4	167.8	0	0	0	113.8	V940	V940-I942 HydrophobicContact CG1-CD1 3.56Å; V940-I942 HydrophobicContact CG1-CG1 4.16Å
943	Q	32.7	Very low	32.2	Very low	174 Å²	174	134 Å²	134	81%	0.813	76%	0.756	S	S	*	*			trans	-87.4	135.9	149.5	-159	163	-19	0	0	115.2
944	S	30.5	Very low	32.2	Very low	103.5 Å²	103.5	133.1 Å²	133.1	72%	0.724	76%	0.76	S	S	*	*			trans	-62.9	156.7	156	60.1	0	0	0	0	113.8
945	P	37.6	Very low	32.4	Very low	117.25 Å²	117.25	132.2 Å²	132.2	76%	0.761	76%	0.762	S	S	*	*			trans	-115.4	157.6	179.3	35.4	-26.1	0	0	0	112.8
946	A	28.9	Very low	32.4	Very low	87 Å²	87	130.2 Å²	130.2	72%	0.719	76%	0.758	S	S	*	*			trans	141.7	135.6	132.5	0	0	0	0	0	113.5
947	L	28.9	Very low	32.5	Very low	163.75 Å²	163.75	130.8 Å²	130.8	86%	0.857	76%	0.761	S	S	*	*			trans	-20.5	148	162.1	-61.7	171.8	0	0	0	114.1	K929	K929-L947 PolarHBondContact NZ-O 3.21Å
948	T	29.5	Very low	32.7	Very low	119.5 Å²	119.5	135 Å²	135	73%	0.733	76%	0.761	S	S	*	*			trans	-166.8	153.6	145.1	29.2	0	0	0	0	113	K929	K929-T948 PolarHBondContact NZ-O 3.09Å
949	S	32.5	Very low	32.9	Very low	91.75 Å²	91.75	133.8 Å²	133.8	64%	0.642	76%	0.755	S	S	*	*			trans	63.1	164.8	142.1	57.9	0	0	0	0	117.4
950	D	33.6	Very low	32.8	Very low	130.25 Å²	130.25	131.5 Å²	131.5	70%	0.697	75%	0.751	S	S	*	*				136.9	136.5	78.6	-82.5	-26.7	0	0	0	117.2
951	N	32	Very low	32.9	Very low	131.75 Å²	131.75	132.2 Å²	132.2	71%	0.705	76%	0.755	S	S	*	*			trans	49.1	133.2	139.7	-60	-45.9	0	0	0	120.7
952	L	35	Very low	33.1	Very low	150.25 Å²	150.25	132 Å²	132	79%	0.787	75%	0.751	S	S	*	*				134.6	138.9	118.3	-70.7	168.8	0	0	0	116
953	M	35.2	Very low	33	Very low	157 Å²	157	129.7 Å²	129.7	77%	0.773	75%	0.748	S	S	*	*			trans	81.3	119.7	147.7	-73.1	-155.3	73	0	0	117.3
954	S	33.1	Very low	32.9	Very low	108.75 Å²	108.75	125 Å²	125	76%	0.76	74%	0.735	S	S	*	*				48.6	158.8	118.2	-56.6	0	0	0	0	117.3
955	P	39.4	Very low	33.1	Very low	130.5 Å²	130.5	128.4 Å²	128.4	85%	0.847	74%	0.739	S	S	*	*			cis	-129.4	171.4	-20	40.9	-24.7	0	0	0	115.4
956	G	35.1	Very low	32.7	Very low	66.75 Å²	66.75	126.8 Å²	126.8	69%	0.688	73%	0.731	S	S	*	*			trans	150.1	139	150.5	0	0	0	0	0	115.7
957	F	35	Very low	32.9	Very low	204.5 Å²	204.5	129.5 Å²	129.5	90%	0.897	73%	0.732	S	S	*	*			trans	67.9	129.9	154.1	-83.4	-96.9	0	0	0	118.2
958	R	35.3	Very low	32.9	Very low	204 Å²	204	132.4 Å²	132.4	77%	0.77	73%	0.731	S	S	*	*			trans	87.2	137.1	136.2	-75.9	-153.2	178	-131.6	3.6	117.2
959	E	31.7	Very low	33	Very low	150 Å²	150	133.4 Å²	133.4	70%	0.701	73%	0.731	S	S	*	*				75.1	127.2	125.1	-86.2	163.6	136.6	0	0	118.6
960	S	30.4	Very low	33.1	Very low	95 Å²	95	135.9 Å²	135.9	66%	0.664	74%	0.736	S	S	*	*			trans	74.1	118.4	154.2	59.4	0	0	0	0	118.6	A848 Y849	A848-S960 VanDerWaalsContact C-OG 3.27Å; A848-S960 PolarHBondContact O-OG 3.24Å; A848-S960 VanDerWaalsContact O-OG 3.06Å; Y849-S960 PolarHBondContact N-OG 3.42Å
961	V	32.3	Very low	32.9	Very low	138.25 Å²	138.25	139 Å²	139	84%	0.838	74%	0.744	S	S	*	*				77	125.9	104.6	176.2	0	0	0	0	111.6
962	P	33.4	Very low	32.9	Very low	99.75 Å²	99.75	136.9 Å²	136.9	65%	0.648	74%	0.744	S	S	*	*			cis	-134.8	174.2	36.6	40.6	-25.3	0	0	0	115.9
963	S	31	Very low	32.6	Very low	99.25 Å²	99.25	133.7 Å²	133.7	69%	0.694	73%	0.734	S	S	*	*			trans	-10.6	127.6	133.4	120	0	0	0	0	116.9
964	S	31.2	Very low	32.6	Very low	77 Å²	77	132.9 Å²	132.9	54%	0.538	73%	0.729	S	S	.	*			trans	134.6	148.9	148.2	-68.4	0	0	0	0	115.2
965	H	33.1	Very low	32.6	Very low	173.75 Å²	173.75	133.3 Å²	133.3	80%	0.804	72%	0.722	S	S	*	*				131.6	142.6	78.3	-78.1	-7	0	0	0	110.8
966	S	29.2	Very low	32.4	Very low	84.75 Å²	84.75	131.2 Å²	131.2	59%	0.593	71%	0.709	S	S	*	*			cis	-165.7	134.4	36.9	-138.7	0	0	0	0	112.1
967	I	33	Very low	32.2	Very low	142.75 Å²	142.75	135.6 Å²	135.6	73%	0.732	71%	0.709	S	S	*	*			trans	17.4	121.7	138.9	-52.4	171.6	0	0	0	114.7	L969	I967-L969 HydrophobicContact CG2-CB 3.97Å; I967-L969 HydrophobicContact CG2-CD1 4.07Å
968	R	30.8	Very low	32	Very low	224.5 Å²	224.5	130.2 Å²	130.2	85%	0.847	70%	0.696	S	S	*	*			trans	-179.3	134.1	154	-76.1	170.1	-157.5	-174.1	3.7	109.2
969	L	30.8	Very low	31.7	Very low	140 Å²	140	127.5 Å²	127.5	73%	0.733	69%	0.693	S	S	*	*			cis	-173.8	141.6	18.2	-106.3	167	0	0	0	109.2	I967	I967-L969 HydrophobicContact CG2-CB 3.97Å; I967-L969 HydrophobicContact CG2-CD1 4.07Å
970	I	34.3	Very low	31.7	Very low	144.25 Å²	144.25	127.8 Å²	127.8	74%	0.74	70%	0.698	S	S	*	*			trans	150.7	134.8	147.9	-77.9	163.8	0	0	0	111.5	D839	D839-I970 HydrophobicContact CB-CG2 4.47Å
971	K	29.6	Very low	31.7	Very low	197 Å²	197	128.9 Å²	128.9	86%	0.857	71%	0.705	S	S	*	*			trans	130.4	137.2	137.4	-114.6	-178.2	177	-177.8	0	113.7
972	A	31.3	Very low	31.7	Very low	86.75 Å²	86.75	125.4 Å²	125.4	72%	0.717	70%	0.698	S	S	*	*			trans	144.1	137	146.1	0	0	0	0	0	112.8
973	S	29.2	Very low	31.5	Very low	82.5 Å²	82.5	125.7 Å²	125.7	58%	0.577	70%	0.702	S	S	*	*			cis	87.9	125.2	41.7	62.8	0	0	0	0	112.7
974	H	35.3	Very low	31.4	Very low	141.75 Å²	141.75	130 Å²	130	66%	0.656	71%	0.708	S	S	*	*				-170.9	146	94.9	-92.2	-71.2	0	0	0	113.6	S833 P834 I835	S833-H974 CarbonylContact C-O 3.59Å; S833-H974 CarbonylContact O-C 3.59Å; S833-H974 VanDerWaalsContact O-CA 3.22Å; S833-H974 WeakPolarHBondContact O-CA 3.26Å; P834-H974 CarbonylContact C-O 3.6Å; P834-H974 WeakPolarHBondContact CA-O 3.27Å; I835-H974 HydrophobicContact CD1-CB 4.43Å; I835-H974 VanDerWaalsContact N-N 3.13Å
975	D	32.4	Very low	31.3	Very low	115.5 Å²	115.5	134.7 Å²	134.7	62%	0.618	72%	0.722	S	S	*	*			trans	4.9	146.4	144.2	-125.1	45.5	0	0	0	119.6	V832 S833 K977	V832-D975 WeakPolarHBondContact CA-OD2 3.42Å; V832-D975 WeakPolarHBondContact CB-OD2 3.13Å; V832-D975 WeakPolarHBondContact CG1-OD2 3.5Å; S833-D975 VanDerWaalsContact CB-CA 3.46Å; S833-D975 PolarHBondContact N-OD2 2.91Å; S833-D975 PolarHBondContact O-N 3.44Å; D975-K977 PolarHBondContact OD1-N 2.96Å; D975-K977 VanDerWaalsContact OD1-N 3.11Å
976	P	36.9	Very low	31.1	Very low	87.75 Å²	87.75	129.6 Å²	129.6	57%	0.57	72%	0.717	S	S	*	*				-135.4	176.5	56.6	35.9	-17	0	0	0	115.6	T831 S833	T831-P976 HydrophobicContact CG2-CB 3.75Å; S833-P976 VanDerWaalsContact OG-CA 3.25Å; S833-P976 WeakPolarHBondContact OG-CA 3.42Å; S833-P976 PolarHBondContact OG-O 3.14Å
977	K	30.4	Very low	31.1	Very low	158.5 Å²	158.5	131.6 Å²	131.6	69%	0.689	73%	0.725	S	S	*	*			trans	7	155.8	161.4	-51	173.2	-179.4	156.6	0	116.9	T831 V832 S833 D975	T831-K977 PolarHBondContact OG1-N 3.04Å; V832-K977 VanDerWaalsContact N-NZ 3.11Å; V832-K977 VanDerWaalsContact O-CE 3.23Å; V832-K977 WeakPolarHBondContact O-CE 3.49Å; V832-K977 WeakPolarHBondContact O-CG 3.38Å; V832-K977 PolarHBondContact O-NZ 3.33Å; S833-K977 WeakPolarHBondContact OG-CG 3.32Å; S833-K977 PolarHBondContact OG-N 3.08Å; D975-K977 PolarHBondContact OD1-N 2.96Å; D975-K977 VanDerWaalsContact OD1-N 3.11Å
978	S	31	Very low	31	Very low	91.5 Å²	91.5	130.5 Å²	130.5	64%	0.64	73%	0.725	S	S	*	*			trans	-163	156.5	137.5	128	0	0	0	0	111.1	T831	T831-S978 PolarHBondContact N-OG 3.42Å; T831-S978 PolarHBondContact OG1-N 3.14Å
979	E	29.3	Very low	31	Very low	147.5 Å²	147.5	125.1 Å²	125.1	69%	0.689	71%	0.713	S	S	*	*				49.6	139.9	110.3	-80.7	-178.8	172.2	0	0	117.2	T829	T829-E979 PolarHBondContact N-OE2 3.27Å
980	L	30.7	Very low	31.1	Very low	156.5 Å²	156.5	125.6 Å²	125.6	82%	0.819	71%	0.709	S	S	*	*				49.3	153.3	125.2	-75.9	145.7	0	0	0	118.5
981	S	29.7	Very low	31.1	Very low	116.5 Å²	116.5	125.3 Å²	125.3	82%	0.815	71%	0.709	S	S	*	*				-127.7	158.1	79.3	125.9	0	0	0	0	110.1
982	G	32.1	Very low	31.3	Very low	65.5 Å²	65.5	120.9 Å²	120.9	68%	0.675	70%	0.698	S	S	*	*			trans	151.4	104.6	153	0	0	0	0	0	113.4
983	S	29.3	Very low	31.4	Very low	106.5 Å²	106.5	125.6 Å²	125.6	75%	0.745	70%	0.703	S	S	*	*				76.5	119.3	112	94.1	0	0	0	0	116.1
984	K	30.7	Very low	31.5	Very low	189.25 Å²	189.25	125.4 Å²	125.4	82%	0.823	71%	0.706	S	S	*	*			trans	92.5	142.4	143.5	-70.8	177.6	-179.9	-179.1	0	117.9
985	Q	27.7	Very low	31.3	Very low	175.75 Å²	175.75	126.5 Å²	126.5	82%	0.821	72%	0.715	S	S	*	*			trans	52.8	110.5	152.8	-119.1	66.5	10.6	0	0	117.4
986	G	29.3	Very low	31.2	Very low	67.5 Å²	67.5	124.8 Å²	124.8	70%	0.696	72%	0.718	S	S	*	*				144.2	139.6	98.6	0	0	0	0	0	108.6
987	V	29.4	Very low	30.9	Very low	125 Å²	125	126.4 Å²	126.4	76%	0.758	73%	0.726	S	S	*	*				85.5	114.6	65.1	174.6	0	0	0	0	110.2
988	V	29.7	Very low	30.9	Very low	120.75 Å²	120.75	124.8 Å²	124.8	73%	0.732	73%	0.725	S	S	*	*				80.9	144.2	117.7	172	0	0	0	0	111.9
989	D	32.4	Very low	30.8	Very low	111.75 Å²	111.75	126 Å²	126	60%	0.598	72%	0.724	S	S	*	*				175.8	167.7	78.8	-112.5	-14.9	0	0	0	113.3
990	K	33.1	Very low	31	Very low	150.25 Å²	150.25	125.8 Å²	125.8	65%	0.653	72%	0.723	S	S	*	*			cis	-114.6	161.5	-12.2	-90.7	162.1	-162.6	111	0	112.3
991	N	32.8	Very low	31	Very low	137 Å²	137	125.2 Å²	125.2	73%	0.733	72%	0.72	S	S	*	*			trans	104.7	132.5	136	-74.9	-10.8	0	0	0	116
992	V	34	Very low	31	Very low	104.5 Å²	104.5	126.5 Å²	126.5	63%	0.633	72%	0.717	S	S	*	*				95.8	140.1	66.5	151.4	0	0	0	0	112.3
993	F	33.7	Very low	31	Very low	186.25 Å²	186.25	129.2 Å²	129.2	82%	0.817	72%	0.721	S	S	*	*			cis	-153.2	164.3	23.1	-88.1	-81.5	0	0	0	112.1
994	A	31.6	Very low	31.1	Very low	77.25 Å²	77.25	128.7 Å²	128.7	64%	0.638	72%	0.717	S	S	*	*				58.5	150.1	50.7	0	0	0	0	0	114.4
995	L	31.4	Very low	31.2	Very low	164.5 Å²	164.5	126.6 Å²	126.6	86%	0.861	72%	0.715	S	S	*	*				143.8	140.7	107	-74.4	143.9	0	0	0	111
996	A	29.2	Very low	31.5	Very low	80.5 Å²	80.5	124.1 Å²	124.1	67%	0.665	71%	0.712	S	S	*	*			cis	138.6	155.5	16.2	0	0	0	0	0	111.7
997	V	31.6	Very low	31.6	Very low	121.5 Å²	121.5	124.9 Å²	124.9	74%	0.736	71%	0.711	S	S	*	*				80.5	131.5	117.3	-150.8	0	0	0	0	114.5	N999	V997-N999 VanDerWaalsContact CG1-ND2 3.29Å; V997-N999 WeakPolarHBondContact CG1-ND2 3.17Å
998	D	30.5	Very low	31.7	Very low	125.25 Å²	125.25	124.3 Å²	124.3	67%	0.67	71%	0.713	S	S	*	*				141.8	141.1	92.9	-77.1	-47.7	0	0	0	118.6
999	N	28.9	Very low	31.6	Very low	117.5 Å²	117.5	124 Å²	124	63%	0.628	72%	0.716	S	S	*	*				41.4	159	99.5	-74.1	-45.8	0	0	0	115.6	V997 N1509	V997-N999 VanDerWaalsContact CG1-ND2 3.29Å; V997-N999 WeakPolarHBondContact CG1-ND2 3.17Å; N999-N1509 PolarHBondContact O-ND2 3.1Å
1000	H	32.3	Very low	31.5	Very low	142.75 Å²	142.75	123.3 Å²	123.3	66%	0.661	72%	0.72	S	S	*	*			trans	92.3	124.8	160.6	-59.8	-72.9	0	0	0	117.3	N1509 D1510 F1511	H1000-N1509 HydrophobicContact CB-CB 4.41Å; H1000-D1510 HydrophobicContact CB-CB 3.78Å; H1000-D1510 IonicContact CE1-OD2 3.61Å; H1000-D1510 IonicContact CG-OD2 3.39Å; H1000-D1510 IonicContact ND1-OD2 2.71Å; H1000-D1510 PolarHBondContact ND1-OD2 3.33Å; H1000-F1511 AromaticContact CE1-CD2 3.97Å; H1000-F1511 AromaticContact CE1-CE2 3.66Å
1001	L	31.9	Very low	31.5	Very low	144 Å²	144	126.2 Å²	126.2	75%	0.754	73%	0.727	S	S	*	*				93.7	143.5	119.4	-82.7	105	0	0	0	117.2	D1510	L1001-D1510 WeakPolarHBondContact CB-OD1 3.5Å
1002	N	28.7	Very low	31.4	Very low	142.6 Å²	142.6	129 Å²	129	76%	0.763	73%	0.727	S	S	*	*				65.7	133.9	87.7	-92.1	-9.3	0	0	0	115.8
1003	T	32.3	Very low	31.3	Very low	123.6 Å²	123.6	129.7 Å²	129.7	76%	0.758	73%	0.727	S	S	*	*			trans	164.1	130.7	140.7	45.2	0	0	0	0	113.4
1004	S	32.7	Very low	31.1	Very low	95.6 Å²	95.6	128.4 Å²	128.4	67%	0.669	72%	0.724	S	S	*	*				74	133.9	109.1	80.8	0	0	0	0	115.8
1005	D	31.5	Very low	31	Very low	145.8 Å²	145.8	131.9 Å²	131.9	78%	0.78	73%	0.731	S	S	*	*				161.3	156.6	114.6	-88.8	-38.4	0	0	0	114.6
1006	V	34.4	Very low	30.9	Very low	123.2 Å²	123.2	128.6 Å²	128.6	75%	0.747	72%	0.721	S	S	*	*			cis	160.7	141	18.7	128.4	0	0	0	0	113.2
1007	A	32.4	Very low	30.9	Very low	83.2 Å²	83.2	133.6 Å²	133.6	69%	0.688	73%	0.728	S	S	*	*				74.7	135.4	124.4	0	0	0	0	0	117.5
1008	S	29.9	Very low	30.8	Very low	113.2 Å²	113.2	133.5 Å²	133.5	79%	0.792	73%	0.728	S	S	*	*				142	150.8	84.3	-76.9	0	0	0	0	112.7
1009	S	28.6	Very low	30.9	Very low	113.4 Å²	113.4	133.3 Å²	133.3	79%	0.793	73%	0.731	S	S	*	*			cis	119.4	139.9	40.5	-133	0	0	0	0	113.8
1010	S	30.7	Very low	30.9	Very low	97 Å²	97	136.4 Å²	136.4	68%	0.678	74%	0.742	S	S	*	*				116	130.8	124.9	-138.5	0	0	0	0	113.5
1011	R	32.4	Very low	30.9	Very low	211.2 Å²	211.2	132.5 Å²	132.5	80%	0.797	74%	0.74	S	S	*	*			trans	66.9	147.9	132.6	-58.5	175.4	-179.2	-167	0	112.2
1012	R	31.4	Very low	31	Very low	196 Å²	196	133.4 Å²	133.4	74%	0.74	74%	0.74	S	S	*	*			cis	-177.8	154.7	25.8	-132.9	-179.5	-135.7	146.6	-4.8	109.3
1013	N	30.6	Very low	31.1	Very low	119.8 Å²	119.8	133 Å²	133	64%	0.641	73%	0.734	S	S	*	*			trans	34.7	146.4	150.3	-51.3	2.7	0	0	0	118
1014	H	30.3	Very low	31	Very low	159.4 Å²	159.4	134.7 Å²	134.7	74%	0.738	73%	0.731	S	S	*	*				155	165	50.1	-79.4	-51.6	0	0	0	113
1015	L	29.8	Very low	30.9	Very low	150.2 Å²	150.2	137.5 Å²	137.5	79%	0.786	73%	0.733	S	S	*	*			trans	6.7	147.7	174.9	-72	68.5	0	0	0	114.6
1016	S	29	Very low	30.8	Very low	94.8 Å²	94.8	136.3 Å²	136.3	66%	0.663	73%	0.727	S	S	*	*			cis	126.2	131.5	22.6	58.7	0	0	0	0	112.5
1017	K	29.3	Very low	30.6	Very low	184.8 Å²	184.8	136.8 Å²	136.8	80%	0.803	72%	0.724	S	S	*	*				157.8	129.8	108.6	-104.4	-177.3	-178.6	179.6	0	108.9
1018	T	28.5	Very low	30.5	Very low	121.2 Å²	121.2	140.7 Å²	140.7	74%	0.744	73%	0.728	S	S	*	*				47.7	143.6	128.8	8.3	0	0	0	0	114
1019	V	32.8	Very low	30.6	Very low	120.2 Å²	120.2	139.9 Å²	139.9	73%	0.728	72%	0.722	S	S	*	*				126.6	140	97.3	174.5	0	0	0	0	114.4
1020	Q	29.6	Very low	30.6	Very low	183.4 Å²	183.4	141.6 Å²	141.6	86%	0.857	72%	0.722	S	S	*	*				16	138.8	129.5	-105.1	152.4	-17.4	0	0	115
1021	G	33.1	Very low	30.6	Very low	60.4 Å²	60.4	141.9 Å²	141.9	62%	0.623	72%	0.724	S	S	*	*				118.7	138.2	62.6	0	0	0	0	0	111
1022	H	32.5	Very low	30.4	Very low	161.4 Å²	161.4	142 Å²	142	75%	0.747	72%	0.724	S	S	*	*			trans	70.4	141.2	145.6	-69.7	-101.4	0	0	0	113.1	F802	F802-H1022 WeakPolarHBondContact CZ-O 3.34Å
1023	E	30.8	Very low	30.4	Very low	136 Å²	136	137 Å²	137	64%	0.636	72%	0.72	S	S	*	*			cis	-168.4	160.9	-1	-124.9	171.4	148.7	0	0	109.9
1024	F	30	Very low	30.3	Very low	158.2 Å²	158.2	138.6 Å²	138.6	69%	0.694	72%	0.723	S	S	*	*				23.5	150.5	118.1	-82.1	-85.1	0	0	0	117.5
1025	Q	30.5	Very low	30.3	Very low	155.6 Å²	155.6	136.7 Å²	136.7	73%	0.727	72%	0.723	S	S	*	*			trans	82.2	156.9	141.4	-73.4	173.9	16.1	0	0	112.4
1026	N	30.2	Very low	30.3	Very low	120.4 Å²	120.4	135.5 Å²	135.5	64%	0.644	72%	0.722	S	S	*	*			cis	168.1	162.4	22.7	-139.8	-5.6	0	0	0	112.6
1027	I	30.7	Very low	30.3	Very low	133.8 Å²	133.8	140.2 Å²	140.2	69%	0.686	73%	0.731	S	S	*	*			trans	59.3	101.2	151.8	-55.1	165	0	0	0	113.2
1028	H	30.9	Very low	30.5	Very low	165.2 Å²	165.2	136.3 Å²	136.3	77%	0.765	72%	0.724	S	S	*	*				100.5	133	108.2	-73.3	-50	0	0	0	114.6
1029	S	30.4	Very low	30.5	Very low	95.2 Å²	95.2	134.3 Å²	134.3	67%	0.666	72%	0.72	S	S	*	*				148.9	130.2	102.5	-10.6	0	0	0	0	114.1
1030	N	29.3	Very low	30.3	Very low	148.6 Å²	148.6	135.3 Å²	135.3	80%	0.795	72%	0.72	S	S	*	*			trans	79.1	142.3	141.2	-80.9	-26.6	0	0	0	116.1
1031	S	30.3	Very low	30.2	Very low	104.6 Å²	104.6	129.7 Å²	129.7	73%	0.731	71%	0.705	S	S	*	*				93.5	130	57.8	34.5	0	0	0	0	115
1032	R	29.4	Very low	30.1	Very low	212 Å²	212	131.8 Å²	131.8	80%	0.8	71%	0.706	S	S	*	*				112.2	117	93.2	-159.1	-176.1	174.3	171.6	-2.1	111.2	E1034	R1032-E1034 IonicContact CZ-OE1 2.84Å; R1032-E1034 IonicContact NE-OE1 3.03Å; R1032-E1034 PolarHBondContact NE-OE1 2.79Å; R1032-E1034 IonicContact NE-OE2 3.26Å; R1032-E1034 IonicContact NH2-OE1 3.69Å; R1032-E1034 PolarHBondContact NH2-OE1 3.25Å; R1032-E1034 IonicContact NH2-OE2 2.77Å; R1032-E1034 PolarHBondContact NH2-OE2 3.04Å
1033	S	30	Very low	29.8	Very low	91.8 Å²	91.8	130.9 Å²	130.9	64%	0.642	71%	0.706	S	S	*	*				140.6	133.7	98.3	57.2	0	0	0	0	111.4
1034	E	29.7	Very low	29.8	Very low	153.6 Å²	153.6	127.3 Å²	127.3	72%	0.718	71%	0.706	S	S	*	*				106.2	140.7	121.2	-76.7	164.9	-175.2	0	0	111.6	R1032	R1032-E1034 IonicContact CZ-OE1 2.84Å; R1032-E1034 IonicContact NE-OE1 3.03Å; R1032-E1034 PolarHBondContact NE-OE1 2.79Å; R1032-E1034 IonicContact NE-OE2 3.26Å; R1032-E1034 IonicContact NH2-OE1 3.69Å; R1032-E1034 PolarHBondContact NH2-OE1 3.25Å; R1032-E1034 IonicContact NH2-OE2 2.77Å; R1032-E1034 PolarHBondContact NH2-OE2 3.04Å
1035	T	30.1	Very low	29.8	Very low	120 Å²	120	126.7 Å²	126.7	74%	0.736	71%	0.709	S	S	*	*			cis	162.4	127.5	47.2	-34.2	0	0	0	0	111.2
1036	V	30	Very low	29.6	Very low	124 Å²	124	125.5 Å²	125.5	75%	0.752	71%	0.708	S	S	*	*				88.1	125.4	102.5	175.9	0	0	0	0	115.1
1037	F	28.9	Very low	29.6	Very low	193.6 Å²	193.6	126.7 Å²	126.7	85%	0.849	71%	0.713	S	S	*	*			trans	-84.3	173.7	146.7	-83.2	-80.8	0	0	0	113.7
1038	P	32.9	Very low	29.6	Very low	102.8 Å²	102.8	125.5 Å²	125.5	67%	0.668	72%	0.716	S	S	*	*			cis	-137.9	178.7	-1.8	42.3	-22.7	0	0	0	116.9
1039	A	28.1	Very low	29.6	Very low	79 Å²	79	120.5 Å²	120.5	65%	0.653	71%	0.709	S	S	*	*				63.4	161.5	121.8	0	0	0	0	0	121.4	R1061	A1039-R1061 PolarHBondContact O-NH1 3.46Å
1040	I	28.5	Very low	29.6	Very low	141.4 Å²	141.4	121 Å²	121	73%	0.725	71%	0.712	S	S	*	*			trans	76.4	117	156.2	-53.3	173.1	0	0	0	117.1	R1061 E1451	I1040-R1061 WeakPolarHBondContact O-CB 3.47Å; I1040-R1061 WeakPolarHBondContact O-CD 3.25Å; I1040-E1451 WeakPolarHBondContact CG2-O 3.19Å
1041	A	27.9	Very low	29.7	Very low	66.4 Å²	66.4	124.4 Å²	124.4	55%	0.549	71%	0.714	S	S	.	*			cis	108.4	146.2	41.9	0	0	0	0	0	116.9	P1060 V1063 V1453	A1041-P1060 CarbonylContact C-O 2.86Å; A1041-V1063 HydrophobicContact CB-CG2 4.46Å; A1041-V1453 CarbonylContact C-O 3.38Å; A1041-V1453 VanDerWaalsContact C-O 3.24Å
1042	T	30.1	Very low	29.9	Very low	104.2 Å²	104.2	127.8 Å²	127.8	64%	0.639	72%	0.719	S	S	*	*				124.2	116.9	125.8	50.2	0	0	0	0	117.7	S1059 P1060 R1061 S1452 V1453	T1042-S1059 PolarHBondContact O-OG 3.44Å; T1042-P1060 CarbonylContact C-O 3.34Å; T1042-P1060 VanDerWaalsContact CA-O 3.25Å; T1042-P1060 WeakPolarHBondContact CA-O 3.36Å; T1042-P1060 PolarHBondContact N-O 2.66Å; T1042-P1060 VanDerWaalsContact N-O 3.12Å; T1042-P1060 CarbonylContact O-C 3.12Å; T1042-R1061 CarbonylContact C-O 3.21Å; T1042-R1061 WeakPolarHBondContact CA-O 3.33Å; T1042-R1061 VanDerWaalsContact N-C 3.26Å; T1042-R1061 PolarHBondContact N-O 2.88Å; T1042-S1452 WeakPolarHBondContact O-CA 3.46Å; T1042-S1452 WeakPolarHBondContact O-CB 3.24Å; T1042-V1453 CarbonylContact C-O 3.51Å; T1042-V1453 PolarHBondContact N-O 3.4Å; T1042-V1453 PolarHBondContact O-N 2.82Å
1043	N	28	Very low	30	Very low	141.8 Å²	141.8	122.8 Å²	122.8	76%	0.758	72%	0.716	S	S	*	*				73.6	117.5	129	-72.4	-15.4	0	0	0	117.9	S1059 R1061 V1453 D1454	N1043-S1059 WeakPolarHBondContact CB-OG 3.42Å; N1043-S1059 PolarHBondContact OD1-OG 3.04Å; N1043-R1061 PolarHBondContact N-O 3.23Å; N1043-V1453 WeakPolarHBondContact O-CA 3.33Å; N1043-D1454 VanDerWaalsContact C-CB 3.49Å; N1043-D1454 VanDerWaalsContact N-CB 3.32Å; N1043-D1454 VanDerWaalsContact N-CG 3.3Å; N1043-D1454 PolarHBondContact N-OD2 2.98Å
1044	G	30.7	Very low	30.1	Very low	60.8 Å²	60.8	122.3 Å²	122.3	63%	0.627	72%	0.718	S	S	*	*			trans	169.6	139.8	152.9	0	0	0	0	0	112.3	D1454	G1044-D1454 CarbonylContact O-C 3.53Å; G1044-D1454 WeakPolarHBondContact O-CB 3.25Å; G1044-D1454 PolarHBondContact O-N 2.73Å
1045	L	29.1	Very low	30.2	Very low	146.8 Å²	146.8	122.7 Å²	122.7	77%	0.769	72%	0.724	S	S	*	*			trans	169.6	131.7	145.3	-81.8	126.9	0	0	0	113.4
1046	N	27.3	Very low	30.4	Very low	129.8 Å²	129.8	124 Å²	124	69%	0.694	73%	0.725	S	S	*	*				77.5	117.8	110.3	-80.5	-15.6	0	0	0	117.9
1047	I	30.4	Very low	30.6	Very low	144.8 Å²	144.8	124 Å²	124	74%	0.743	73%	0.725	S	S	*	*			trans	167.3	128.6	142.1	-77	161.2	0	0	0	111.5
1048	S	28.9	Very low	30.7	Very low	110 Å²	110	119.8 Å²	119.8	77%	0.769	72%	0.72	S	S	*	*			trans	96.9	143.7	153.3	155.3	0	0	0	0	114.3
1049	G	31.6	Very low	30.7	Very low	59.4 Å²	59.4	119.7 Å²	119.7	61%	0.612	72%	0.721	S	S	*	*			trans	160	130	139.6	0	0	0	0	0	114.4
1050	S	30.6	Very low	31.5	Very low	105 Å²	105	121.2 Å²	121.2	73%	0.734	73%	0.725	S	S	*	*				96.5	120.1	112.5	63	0	0	0	0	114.4
1051	R	31.9	Very low	31.8	Very low	220.4 Å²	220.4	124.4 Å²	124.4	83%	0.832	73%	0.728	S	S	*	*				-152.3	147.2	105.5	-86	165.9	-175.4	-108.3	1.9	111.3	S1053	R1051-S1053 WeakPolarHBondContact CD-O 3.43Å; R1051-S1053 PolarHBondContact NH1-O 3.29Å
1052	Q	33	Very low	32.1	Very low	177 Å²	177	128.8 Å²	128.8	83%	0.827	74%	0.739	S	S	*	*			trans	33.1	131.2	138.6	-63.8	172.9	-48.2	0	0	116.3	A1054	Q1052-A1054 PolarHBondContact O-N 3.33Å
1053	S	32.6	Very low	32.5	Very low	107 Å²	107	129.7 Å²	129.7	75%	0.748	74%	0.744	S	S	*	*			cis	-143.6	142.3	48	50	0	0	0	0	110	R1051	R1051-S1053 WeakPolarHBondContact CD-O 3.43Å; R1051-S1053 PolarHBondContact NH1-O 3.29Å
1054	A	31.3	Very low	32.9	Very low	81.4 Å²	81.4	130.4 Å²	130.4	67%	0.673	75%	0.746	S	S	*	*				85.8	129.2	90.4	0	0	0	0	0	113.8	Q1052	Q1052-A1054 PolarHBondContact O-N 3.33Å
1055	L	32.4	Very low	33.5	Very low	160.2 Å²	160.2	131.6 Å²	131.6	84%	0.839	75%	0.75	S	S	*	*			trans	-177.9	128.2	135.1	-86.5	178.8	0	0	0	112.2
1056	I	34	Very low	34.2	Very low	148.8 Å²	148.8	130 Å²	130	76%	0.763	75%	0.748	S	S	*	*			trans	55.1	127.7	146.3	-38.7	170.9	0	0	0	117.5
1057	T	34.7	Very low	34.7	Very low	123.4 Å²	123.4	132.5 Å²	132.5	76%	0.757	76%	0.756	S	S	*	*				164.4	139.9	124.5	74.2	0	0	0	0	116.6
1058	S	31.6	Very low	35.1	Very low	105.4 Å²	105.4	130.2 Å²	130.2	74%	0.737	75%	0.753	S	S	*	*			trans	48.8	142.5	144.1	40.6	0	0	0	0	117.9
1059	S	33	Very low	35.5	Very low	100.2 Å²	100.2	131.2 Å²	131.2	70%	0.701	75%	0.754	S	S	*	*				-162.9	155.5	124.7	-63	0	0	0	0	113.6	T1042 N1043	T1042-S1059 PolarHBondContact O-OG 3.44Å; N1043-S1059 WeakPolarHBondContact CB-OG 3.42Å; N1043-S1059 PolarHBondContact OD1-OG 3.04Å
1060	P	43.1	Very low	35.7	Very low	111.6 Å²	111.6	133.1 Å²	133.1	73%	0.725	76%	0.758	S	S	*	*			cis	-118.3	160.4	18	25.9	-6.7	0	0	0	114.2	A1041 T1042	A1041-P1060 CarbonylContact C-O 2.86Å; T1042-P1060 CarbonylContact C-O 3.34Å; T1042-P1060 VanDerWaalsContact CA-O 3.25Å; T1042-P1060 WeakPolarHBondContact CA-O 3.36Å; T1042-P1060 PolarHBondContact N-O 2.66Å; T1042-P1060 VanDerWaalsContact N-O 3.12Å; T1042-P1060 CarbonylContact O-C 3.12Å
1061	R	36.6	Very low	36.2	Very low	207.4 Å²	207.4	133.4 Å²	133.4	78%	0.783	76%	0.758	S	S	*	*				86.3	136.3	117.1	-117.3	-179	161	153.1	0.5	117	A1039 I1040 T1042 N1043	A1039-R1061 PolarHBondContact O-NH1 3.46Å; I1040-R1061 WeakPolarHBondContact O-CB 3.47Å; I1040-R1061 WeakPolarHBondContact O-CD 3.25Å; T1042-R1061 CarbonylContact C-O 3.21Å; T1042-R1061 WeakPolarHBondContact CA-O 3.33Å; T1042-R1061 VanDerWaalsContact N-C 3.26Å; T1042-R1061 PolarHBondContact N-O 2.88Å; N1043-R1061 PolarHBondContact N-O 3.23Å
1062	M	33	Very low	36.4	Very low	160 Å²	160	129.4 Å²	129.4	79%	0.788	75%	0.75	S	S	*	*			trans	-151.7	149.5	164.8	-80.4	164	60.7	0	0	112.1
1063	V	38	Very low	36.6	Very low	123.4 Å²	123.4	127.5 Å²	127.5	75%	0.748	74%	0.744	S	S	*	*				163.6	133.4	125.7	-176.7	0	0	0	0	110.6	A1041	A1041-V1063 HydrophobicContact CB-CG2 4.46Å
1064	I	38	Very low	36.7	Very low	154.6 Å²	154.6	129.1 Å²	129.1	79%	0.793	74%	0.74	S	S	*	*			trans	-132.9	144.3	166.1	-75.4	155.7	0	0	0	110.9
1065	A	42.4	Very low	37	Very low	86.8 Å²	86.8	131.6 Å²	131.6	72%	0.717	74%	0.74	S	S	*	*			trans	-90	171.2	155.7	0	0	0	0	0	112.3
1066	P	44.6	Very low	37.3	Very low	112.8 Å²	112.8	128.5 Å²	128.5	73%	0.732	73%	0.732	S	S	*	*				-126.7	157.8	108.2	35.4	-21.5	0	0	0	114.4
1067	E	37.8	Very low	37.7	Very low	183.8 Å²	183.8	126.5 Å²	126.5	86%	0.859	73%	0.729	S	S	*	*			trans	7.5	163.2	136.8	-59	178.7	149	0	0	116
1068	S	37.3	Very low	38.1	Very low	96.6 Å²	96.6	125.7 Å²	125.7	68%	0.676	73%	0.726	S	S	*	*			cis	-162.3	172.7	2.6	49.2	0	0	0	0	110.4
1069	T	37.3	Very low	38.2	Very low	129.2 Å²	129.2	125.5 Å²	125.5	79%	0.793	72%	0.724	S	S	*	*				115.4	143.2	111.7	-55.8	0	0	0	0	116.1
1070	S	36.9	Very low	38.4	Very low	99.2 Å²	99.2	125.7 Å²	125.7	69%	0.694	73%	0.725	S	S	*	*			trans	-111.7	-176.4	177.9	-93.3	0	0	0	0	110.9
1071	P	40.6	Very low	38.2	Very low	113 Å²	113	125.6 Å²	125.6	73%	0.734	73%	0.725	S	S	*	*				-139.4	170	66.5	34.7	-15.6	0	0	0	115.5
1072	M	35.8	Very low	38.1	Very low	134.6 Å²	134.6	123.7 Å²	123.7	66%	0.663	73%	0.727	S	S	*	*				81.8	127.8	110.2	-127.1	179.6	73.4	0	0	117.1	S1109 I1110 S1407 L1408 S1409	M1072-S1109 VanDerWaalsContact CG-CB 3.44Å; M1072-I1110 HydrophobicContact CE-CD1 4.1Å; M1072-I1110 HydrophobicContact CE-CG1 3.92Å; M1072-S1407 VanDerWaalsContact CE-O 3.31Å; M1072-S1407 WeakPolarHBondContact CE-O 3.43Å; M1072-L1408 HydrophobicContact CB-CB 3.88Å; M1072-L1408 HydrophobicContact CB-CD1 4.38Å; M1072-L1408 HydrophobicContact CB-CD2 4.24Å; M1072-L1408 HydrophobicContact CB-CG 4.4Å; M1072-L1408 HydrophobicContact CE-CD1 4.09Å; M1072-L1408 HydrophobicContact CG-CB 3.99Å; M1072-S1409 CarbonylContact C-O 3.54Å; M1072-S1409 VanDerWaalsContact CA-O 3.29Å; M1072-S1409 WeakPolarHBondContact CA-O 3.4Å; M1072-S1409 WeakPolarHBondContact CB-O 3.31Å; M1072-S1409 WeakPolarHBondContact CG-O 3.29Å
1073	I	38.3	Very low	38.2	Very low	137.2 Å²	137.2	122.9 Å²	122.9	70%	0.704	72%	0.724	S	S	*	*			trans	-120.9	128.2	147.2	-54.7	173.1	0	0	0	111.7	G1108 S1109 S1409 G1410 A1411	I1073-G1108 VanDerWaalsContact C-CA 3.41Å; I1073-G1108 WeakPolarHBondContact O-CA 3.49Å; I1073-G1108 PolarHBondContact O-N 2.92Å; I1073-S1109 VanDerWaalsContact C-N 3.27Å; I1073-S1109 CarbonylContact C-O 3.59Å; I1073-S1109 VanDerWaalsContact CA-O 3.25Å; I1073-S1109 WeakPolarHBondContact CA-O 3.02Å; I1073-S1409 PolarHBondContact N-O 3.3Å; I1073-S1409 CarbonylContact O-C 3.55Å; I1073-S1409 VanDerWaalsContact O-CB 3.28Å; I1073-S1409 WeakPolarHBondContact O-CB 3.46Å; I1073-S1409 PolarHBondContact O-OG 3.43Å; I1073-G1410 PolarHBondContact O-N 3.14Å; I1073-A1411 HydrophobicContact CB-CB 4.2Å; I1073-A1411 HydrophobicContact CD1-CB 3.58Å; I1073-A1411 HydrophobicContact CG1-CB 4.49Å; I1073-A1411 HydrophobicContact CG2-CB 4.21Å
1074	H	33.9	Very low	38.2	Very low	141.2 Å²	141.2	125.2 Å²	125.2	65%	0.654	73%	0.729	S	S	*	*			trans	-158.4	135.5	145.8	-127.2	-61.1	0	0	0	112.1	S1076 G1108 S1109 L1408 S1409	H1074-S1076 PolarHBondContact CE1-OG 3.43Å; H1074-S1076 PolarHBondContact ND1-OG 2.69Å; H1074-G1108 VanDerWaalsContact CB-C 3.43Å; H1074-G1108 PolarHBondContact CD2-O 3.47Å; H1074-S1109 VanDerWaalsContact CB-CA 3.43Å; H1074-S1109 PolarHBondContact N-O 3.41Å; H1074-L1408 HydrophobicContact CB-CD2 3.94Å; H1074-S1409 PolarHBondContact ND1-OG 2.66Å
1075	I	37.2	Very low	38.1	Very low	134.4 Å²	134.4	120.9 Å²	120.9	69%	0.689	72%	0.723	S	S	*	*			trans	-134.6	142.1	147.4	-42.7	173.5	0	0	0	110.4	C1401	I1075-C1401 HydrophobicContact CB-CB 4.22Å; I1075-C1401 WeakPolarHBondContact CB-SG 3.31Å; I1075-C1401 HydrophobicContact CD1-CB 3.77Å; I1075-C1401 VanDerWaalsContact CD1-N 3.28Å; I1075-C1401 VanDerWaalsContact CD1-SG 3.57Å; I1075-C1401 HydrophobicContact CG1-CB 4.14Å; I1075-C1401 VanDerWaalsContact CG1-N 3.28Å
1076	S	38.7	Very low	37.6	Very low	95.2 Å²	95.2	126.1 Å²	126.1	67%	0.666	73%	0.729	S	S	*	*			trans	-130.3	155.3	165.2	-55.8	0	0	0	0	113.8	H1074 V1403	H1074-S1076 PolarHBondContact CE1-OG 3.43Å; H1074-S1076 PolarHBondContact ND1-OG 2.69Å; S1076-V1403 WeakPolarHBondContact O-CG2 3.25Å
1077	P	43.6	Very low	37	Very low	107.4 Å²	107.4	125.5 Å²	125.5	70%	0.697	73%	0.728	S	S	*	*			trans	-108.1	-175.8	176.5	41.3	-35.5	0	0	0	114.3	V1403	P1077-V1403 VanDerWaalsContact CA-CG1 3.47Å
1078	P	42	Very low	36.7	Very low	105.8 Å²	105.8	120.6 Å²	120.6	69%	0.687	71%	0.714	S	S	*	*				-123.1	154.9	124.4	38.7	-26.7	0	0	0	115.3	V1403 E1404 S1406	P1078-V1403 HydrophobicContact CG-CG1 4.49Å; P1078-E1404 HydrophobicContact CG-CG 4.33Å; P1078-S1406 PolarHBondContact O-OG 3.47Å
1079	S	34.7	Very low	36.5	Very low	101.8 Å²	101.8	125.8 Å²	125.8	71%	0.712	72%	0.72	S	S	*	*			trans	91.1	123.8	138.5	58	0	0	0	0	117.6	S1406	S1079-S1406 PolarHBondContact O-OG 3.47Å
1080	S	36.9	Very low	36.4	Very low	103 Å²	103	123.6 Å²	123.6	72%	0.72	72%	0.715	S	S	*	*			trans	5.2	163.9	152	-54.8	0	0	0	0	117.3	S1406 S1407 L1408	S1080-S1406 VanDerWaalsContact N-CB 3.32Å; S1080-S1406 PolarHBondContact N-OG 2.88Å; S1080-S1406 VanDerWaalsContact N-OG 3.14Å; S1080-S1407 PolarHBondContact N-OG 3.41Å; S1080-S1407 WeakPolarHBondContact OG-CB 3.49Å; S1080-S1407 PolarHBondContact OG-OG 3.15Å; S1080-L1408 WeakPolarHBondContact OG-CD1 3.36Å
1081	P	39.6	Very low	36.2	Very low	109.2 Å²	109.2	123.7 Å²	123.7	71%	0.709	72%	0.716	S	S	*	*			cis	-128.7	170.3	16.8	38.5	-24.3	0	0	0	115	L1408	P1081-L1408 HydrophobicContact CB-CD1 3.73Å
1082	M	33.2	Very low	35.8	Very low	169.2 Å²	169.2	123.7 Å²	123.7	83%	0.833	71%	0.714	S	S	*	*			trans	86.9	133.8	134.8	-77.4	174.7	67.6	0	0	116.7
1083	I	35.1	Very low	35.5	Very low	142 Å²	142	125.2 Å²	125.2	73%	0.728	72%	0.724	S	S	*	*			trans	158.4	148.7	146.7	-82.2	166.7	0	0	0	114.7
1084	M	37.4	Very low	35.3	Very low	172 Å²	172	121.6 Å²	121.6	85%	0.847	72%	0.721	S	S	*	*			trans	78.7	138.9	176	-121.4	108.6	-37.4	0	0	115.4
1085	G	36.3	Very low	35.1	Very low	64 Å²	64	120.3 Å²	120.3	66%	0.66	72%	0.723	S	S	*	*			cis	147.1	113.6	26.1	0	0	0	0	0	115.7
1086	K	33	Very low	34.8	Very low	195.8 Å²	195.8	118.6 Å²	118.6	85%	0.851	72%	0.723	S	S	*	*			trans	91.1	149.1	178.6	-71.9	177.8	179.1	-179.7	0	114.4
1087	S	31.6	Very low	34.3	Very low	101.8 Å²	101.8	120.8 Å²	120.8	71%	0.712	73%	0.726	S	S	*	*			trans	87.7	150.5	163.9	64.4	0	0	0	0	114.6	D1181	S1087-D1181 VanDerWaalsContact CA-CG 3.44Å; S1087-D1181 WeakPolarHBondContact CA-OD2 3.39Å; S1087-D1181 VanDerWaalsContact N-CG 3.34Å; S1087-D1181 PolarHBondContact N-OD2 3.12Å
1088	S	31.9	Very low	33.7	Very low	81 Å²	81	120.4 Å²	120.4	57%	0.566	73%	0.726	S	S	*	*			cis	-178.9	148.3	0.7	-92.7	0	0	0	0	111.4	D1181	S1088-D1181 CarbonylContact C-O 3.45Å; S1088-D1181 WeakPolarHBondContact CA-O 3.39Å; S1088-D1181 VanDerWaalsContact CA-OD1 3.31Å; S1088-D1181 WeakPolarHBondContact CA-OD1 3.4Å; S1088-D1181 WeakPolarHBondContact CB-OD1 3.49Å; S1088-D1181 PolarHBondContact OG-OD1 3.48Å
1089	Y	32.9	Very low	33.2	Very low	203.8 Å²	203.8	120.7 Å²	120.7	80%	0.799	73%	0.73	S	S	*	*				112.1	164.7	119.7	-75.7	-91.3	0	0	0	115.6	D1181 V1182 E1183	Y1089-D1181 PolarHBondContact N-O 2.94Å; Y1089-V1182 HydrophobicContact CD1-CG1 4.4Å; Y1089-E1183 HydrophobicContact CE1-CB 3.81Å; Y1089-E1183 HydrophobicContact CE1-CG 3.86Å; Y1089-E1183 PolarHBondContact OH-OE2 3.15Å
1090	A	35.5	Very low	33	Very low	83.8 Å²	83.8	120.5 Å²	120.5	69%	0.693	73%	0.729	S	S	*	*			trans	80.2	130.7	171.3	0	0	0	0	0	116.2	V1182	A1090-V1182 HydrophobicContact CB-CG1 4.25Å
1091	S	32.6	Very low	32.8	Very low	100.8 Å²	100.8	121 Å²	121	71%	0.705	73%	0.728	S	S	*	*				99.9	146.4	64.7	-55.4	0	0	0	0	115
1092	T	31.9	Very low	32.4	Very low	112.8 Å²	112.8	122.4 Å²	122.4	69%	0.692	73%	0.728	S	S	*	*				109.3	129.3	87	-18.1	0	0	0	0	116.1
1093	L	30.1	Very low	32.3	Very low	167.6 Å²	167.6	120 Å²	120	88%	0.877	72%	0.723	S	S	*	*			trans	23.7	143.8	144.9	-71.4	112.6	0	0	0	118.4
1094	G	32.4	Very low	32.1	Very low	61.6 Å²	61.6	117.5 Å²	117.5	64%	0.635	72%	0.724	S	S	*	*			trans	150.2	117.2	155.8	0	0	0	0	0	113.9
1095	T	30	Very low	31.8	Very low	114 Å²	114	114.7 Å²	114.7	70%	0.699	72%	0.721	S	S	*	*				82.9	129.9	99.5	52.5	0	0	0	0	114.5	L1097 K1424	T1095-L1097 HydrophobicContact CG2-CD1 4.26Å; T1095-L1097 HydrophobicContact CG2-CG 4.42Å; T1095-L1097 PolarHBondContact O-N 3.02Å; T1095-K1424 HydrophobicContact CG2-CB 3.91Å; T1095-K1424 HydrophobicContact CG2-CD 4.19Å
1096	S	30.3	Very low	31.7	Very low	98 Å²	98	117.7 Å²	117.7	69%	0.685	73%	0.727	S	S	*	*			trans	79.8	128.2	133.9	60	0	0	0	0	117.9	S1422 V1423 K1424	S1096-S1422 CarbonylContact C-O 3.59Å; S1096-S1422 WeakPolarHBondContact CA-O 3.13Å; S1096-V1423 WeakPolarHBondContact CB-O 3.33Å; S1096-K1424 VanDerWaalsContact CB-CA 3.46Å; S1096-K1424 VanDerWaalsContact CB-N 3.33Å; S1096-K1424 WeakPolarHBondContact CB-O 3.05Å; S1096-K1424 PolarHBondContact OG-O 2.8Å; S1096-K1424 VanDerWaalsContact OG-O 3.05Å
1097	L	30	Very low	31.7	Very low	141.6 Å²	141.6	113.8 Å²	113.8	74%	0.741	72%	0.724	S	S	*	*			trans	69.1	118.7	146.9	-70.5	178.8	0	0	0	116	K654 T1095 S1422 K1424	K654-L1097 PolarHBondContact NZ-O 3.06Å; T1095-L1097 HydrophobicContact CG2-CD1 4.26Å; T1095-L1097 HydrophobicContact CG2-CG 4.42Å; T1095-L1097 PolarHBondContact O-N 3.02Å; L1097-S1422 PolarHBondContact N-O 2.69Å; L1097-K1424 WeakPolarHBondContact CD1-O 3.2Å; L1097-K1424 WeakPolarHBondContact CG-O 3.45Å
1098	S	29.7	Very low	31.9	Very low	99.8 Å²	99.8	112 Å²	112	70%	0.698	72%	0.722	S	S	*	*				74.4	148.5	121.5	-64.4	0	0	0	0	116.3
1099	S	31.2	Very low	31.9	Very low	110.2 Å²	110.2	113 Å²	113	77%	0.771	73%	0.729	S	S	*	*			trans	17.8	142.8	149.7	53	0	0	0	0	117.3
1100	S	31.4	Very low	31.9	Very low	99 Å²	99	110 Å²	110	69%	0.692	73%	0.725	S	S	*	*			cis	-175.4	160.7	22.7	75.1	0	0	0	0	112.5
1101	V	32.6	Very low	31.7	Very low	114 Å²	114	113 Å²	113	69%	0.691	73%	0.728	S	S	*	*				79.4	120.4	121.6	165.2	0	0	0	0	116.5	V1416	V1101-V1416 HydrophobicContact CG2-CG2 4.14Å
1102	L	30	Very low	31.7	Very low	137.4 Å²	137.4	112.7 Å²	112.7	72%	0.719	73%	0.726	S	S	*	*				80.2	139.7	120.7	-71.2	168.1	0	0	0	118.3	P1413 V1414	L1102-P1413 VanDerWaalsContact CD1-CD 3.43Å; L1102-P1413 HydrophobicContact CD1-CG 4.06Å; L1102-P1413 HydrophobicContact CG-CG 4.09Å; L1102-V1414 HydrophobicContact CD2-CB 4.08Å; L1102-V1414 HydrophobicContact CD2-CG1 3.96Å; L1102-V1414 WeakPolarHBondContact CD2-O 3.17Å; L1102-V1414 HydrophobicContact CG-CB 4.38Å; L1102-V1414 HydrophobicContact CG-CG1 4.33Å
1103	T	31.9	Very low	31.6	Very low	118.6 Å²	118.6	112.4 Å²	112.4	73%	0.728	73%	0.729	S	S	*	*			trans	146.5	140.2	138	47.8	0	0	0	0	115.9	V1414	T1103-V1414 HydrophobicContact CG2-CG1 3.96Å; T1103-V1414 WeakPolarHBondContact OG1-CG1 3.48Å; T1103-V1414 WeakPolarHBondContact OG1-CG2 3.3Å
1104	A	30.7	Very low	31.6	Very low	89.6 Å²	89.6	112.1 Å²	112.1	74%	0.74	73%	0.727	S	S	*	*			trans	114.1	149.7	131.4	0	0	0	0	0	117.8
1105	S	32	Very low	31.5	Very low	112.8 Å²	112.8	112.6 Å²	112.6	79%	0.789	73%	0.725	S	S	*	*			trans	113	140.8	152.9	-47.8	0	0	0	0	115.8	S1107	S1105-S1107 PolarHBondContact O-N 3.41Å
1106	T	33.8	Very low	31.6	Very low	127.2 Å²	127.2	114.4 Å²	114.4	78%	0.78	73%	0.731	S	S	*	*			trans	-163.9	142.4	137.1	-24.6	0	0	0	0	113.4
1107	S	33.9	Very low	31.7	Very low	113.4 Å²	113.4	114.6 Å²	114.6	79%	0.793	73%	0.732	S	S	*	*			trans	146.9	137.1	139.3	-46.3	0	0	0	0	116.1	S1105	S1105-S1107 PolarHBondContact O-N 3.41Å
1108	G	34.8	Very low	31.8	Very low	64.8 Å²	64.8	113 Å²	113	67%	0.668	73%	0.733	S	S	*	*			trans	172.7	165.6	164.5	0	0	0	0	0	116.4	I1073 H1074	I1073-G1108 VanDerWaalsContact C-CA 3.41Å; I1073-G1108 WeakPolarHBondContact O-CA 3.49Å; I1073-G1108 PolarHBondContact O-N 2.92Å; H1074-G1108 VanDerWaalsContact CB-C 3.43Å; H1074-G1108 PolarHBondContact CD2-O 3.47Å
1109	S	31.8	Very low	32	Very low	101.4 Å²	101.4	112.5 Å²	112.5	71%	0.709	73%	0.73	S	S	*	*			trans	-175.1	164.8	176.3	-149.7	0	0	0	0	112.9	M1072 I1073 H1074	M1072-S1109 VanDerWaalsContact CG-CB 3.44Å; I1073-S1109 VanDerWaalsContact C-N 3.27Å; I1073-S1109 CarbonylContact C-O 3.59Å; I1073-S1109 VanDerWaalsContact CA-O 3.25Å; I1073-S1109 WeakPolarHBondContact CA-O 3.02Å; H1074-S1109 VanDerWaalsContact CB-CA 3.43Å; H1074-S1109 PolarHBondContact N-O 3.41Å
1110	I	33.2	Very low	32.2	Very low	140.8 Å²	140.8	118.5 Å²	118.5	72%	0.722	74%	0.735	S	S	*	*			cis	-171.1	147.3	37.1	-47.6	166.1	0	0	0	111.6	M1072	M1072-I1110 HydrophobicContact CE-CD1 4.1Å; M1072-I1110 HydrophobicContact CE-CG1 3.92Å
1111	I	31.6	Very low	32.5	Very low	146.8 Å²	146.8	119.6 Å²	119.6	75%	0.753	73%	0.733	S	S	*	*			trans	35.3	134.5	130.2	-47	168.8	0	0	0	119.7
1112	S	31.6	Very low	32.9	Very low	95 Å²	95	119 Å²	119	66%	0.664	73%	0.732	S	S	*	*				133.2	140	91.2	-30.3	0	0	0	0	116.1
1113	S	30	Very low	33.2	Very low	107 Å²	107	122.2 Å²	122.2	75%	0.748	73%	0.734	S	S	*	*			trans	68.6	148.8	133.4	79	0	0	0	0	119
1114	L	30.6	Very low	33.8	Very low	160.6 Å²	160.6	123.7 Å²	123.7	84%	0.841	74%	0.737	S	S	*	*			cis	-170.3	143.7	23.3	-163.7	62.5	0	0	0	114
1115	A	31.1	Very low	34.1	Very low	72.8 Å²	72.8	123.4 Å²	123.4	60%	0.602	74%	0.735	S	S	*	*			trans	59.5	129.1	147.3	0	0	0	0	0	123
1116	N	32.2	Very low	34.5	Very low	151.4 Å²	151.4	124.1 Å²	124.1	81%	0.81	73%	0.728	S	S	*	*				94.3	122.8	128.4	-70.3	-18.2	0	0	0	117.6
1117	S	31.8	Very low	34.7	Very low	102.6 Å²	102.6	125.8 Å²	125.8	72%	0.717	73%	0.727	S	S	*	*				116.7	136	67.3	61.2	0	0	0	0	115.1
1118	S	32.7	Very low	34.9	Very low	107.4 Å²	107.4	128.5 Å²	128.5	75%	0.751	73%	0.726	S	S	*	*				111.2	144.7	103.2	111.1	0	0	0	0	116.1
1119	S	33.3	Very low	35	Very low	90.4 Å²	90.4	130.9 Å²	130.9	63%	0.632	73%	0.728	S	S	*	*				152.9	137.7	111.8	51.7	0	0	0	0	115.3
1120	R	36.3	Very low	35.2	Very low	235.6 Å²	235.6	134.5 Å²	134.5	89%	0.889	73%	0.734	S	S	*	*			trans	67.2	113.9	147.8	-80.5	175.7	177	161.2	-0.2	118.7
1121	D	37.1	Very low	35.3	Very low	121 Å²	121	135.3 Å²	135.3	65%	0.647	74%	0.739	S	S	*	*			trans	-96.5	140.8	132.8	-156.4	-24.1	0	0	0	110.3	R1123 L1124	D1121-R1123 VanDerWaalsContact C-N 3.28Å; D1121-R1123 PolarHBondContact O-N 3.16Å; D1121-R1123 VanDerWaalsContact O-N 3.17Å; D1121-R1123 VanDerWaalsContact OD1-CB 3.28Å; D1121-R1123 WeakPolarHBondContact OD1-CB 3.37Å; D1121-R1123 WeakPolarHBondContact OD1-CG 3.39Å; D1121-R1123 PolarHBondContact OD1-N 3.4Å; D1121-L1124 PolarHBondContact O-N 3.03Å
1122	P	40.3	Very low	35.5	Very low	101.4 Å²	101.4	132.8 Å²	132.8	66%	0.658	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-95.3	11	166.6	34	-31.5	0	0	0	115.1	L1124 A1125	P1122-L1124 VanDerWaalsContact C-N 3.27Å; P1122-L1124 PolarHBondContact O-N 3.03Å; P1122-L1124 VanDerWaalsContact O-N 3.14Å; P1122-A1125 WeakPolarHBondContact O-CB 3.29Å; P1122-A1125 PolarHBondContact O-N 3.05Å; P1122-A1125 VanDerWaalsContact O-N 3.15Å
1123	R	36.7	Very low	35.6	Very low	205.4 Å²	205.4	135.8 Å²	135.8	78%	0.775	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-64.6	20.2	169.9	-64.2	-179.7	71.5	173.9	0.7	115.1	E628 D1121	E628-R1123 IonicContact OE1-CZ 3.08Å; E628-R1123 IonicContact OE1-NH1 2.68Å; E628-R1123 PolarHBondContact OE1-NH1 3.21Å; E628-R1123 IonicContact OE1-NH2 2.65Å; E628-R1123 PolarHBondContact OE1-NH2 3.49Å; E628-R1123 IonicContact OE2-NH1 3.78Å; D1121-R1123 VanDerWaalsContact C-N 3.28Å; D1121-R1123 PolarHBondContact O-N 3.16Å; D1121-R1123 VanDerWaalsContact O-N 3.17Å; D1121-R1123 VanDerWaalsContact OD1-CB 3.28Å; D1121-R1123 WeakPolarHBondContact OD1-CB 3.37Å; D1121-R1123 WeakPolarHBondContact OD1-CG 3.39Å; D1121-R1123 PolarHBondContact OD1-N 3.4Å
1124	L	43.6	Very low	36	Very low	151 Å²	151	138.4 Å²	138.4	79%	0.791	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-98.4	27.9	170	-62	172.7	0	0	0	116.2	D1121 P1122 I1126	D1121-L1124 PolarHBondContact O-N 3.03Å; P1122-L1124 VanDerWaalsContact C-N 3.27Å; P1122-L1124 PolarHBondContact O-N 3.03Å; P1122-L1124 VanDerWaalsContact O-N 3.14Å; L1124-I1126 VanDerWaalsContact C-N 3.33Å; L1124-I1126 PolarHBondContact O-N 3.43Å
1125	A	37.6	Very low	36.5	Very low	83.6 Å²	83.6	137 Å²	137	69%	0.691	75%	0.746	S	S	*	*			trans	-115.4	40.8	171.6	0	0	0	0	0	112.5	P1122	P1122-A1125 WeakPolarHBondContact O-CB 3.29Å; P1122-A1125 PolarHBondContact O-N 3.05Å; P1122-A1125 VanDerWaalsContact O-N 3.15Å
1126	I	40	Very low	37.6	Very low	126.4 Å²	126.4	138.6 Å²	138.6	65%	0.648	75%	0.751	S	S	*	*			trans	-147.9	64.5	153.3	-61.3	173.7	0	0	0	112.4	L1124	L1124-I1126 VanDerWaalsContact C-N 3.33Å; L1124-I1126 PolarHBondContact O-N 3.43Å
1127	H	39.2	Very low	38.5	Very low	162 Å²	162	137.1 Å²	137.1	75%	0.75	75%	0.749	S	S	*	*			trans	-120.2	101.8	160	-83	-100.7	0	0	0	116.3	R621	R621-H1127 PolarHBondContact NE-NE2 2.93Å; R621-H1127 PolarHBondContact NH2-CD2 2.84Å; R621-H1127 PolarHBondContact NH2-NE2 2.77Å
1128	H	38.4	Very low	39.7	Very low	170.4 Å²	170.4	137.7 Å²	137.7	79%	0.789	75%	0.751	S	S	*	*			trans	-142.3	76	162.5	-126.2	-69.8	0	0	0	114.8
1129	T	35	Very low	40.6	Very low	115.2 Å²	115.2	138 Å²	138	71%	0.707	75%	0.75	S	S	*	*			trans	-137	131.4	161.2	44.5	0	0	0	0	113.3
1130	Q	36.4	Very low	41.3	Very low	177.6 Å²	177.6	139 Å²	139	83%	0.83	75%	0.754	S	S	*	*			trans	115.6	125.9	149.8	-59.5	-157.6	57.4	0	0	113.6
1131	L	35.5	Very low	41.8	Very low	157.2 Å²	157.2	136.2 Å²	136.2	82%	0.823	75%	0.751	S	S	*	*				59.5	138	88.3	-80	160.5	0	0	0	113.2
1132	S	35.2	Very low	41.9	Very low	95.6 Å²	95.6	135.5 Å²	135.5	67%	0.669	75%	0.752	S	S	*	*			trans	110.9	123.8	146.9	58.5	0	0	0	0	116.3
1133	N	34.8	Very low	41.9	Very low	156.6 Å²	156.6	139.8 Å²	139.8	84%	0.837	76%	0.76	S	S	*	*			trans	66	114.5	145.5	-51.8	-11.8	0	0	0	118.7
1134	D	38	Very low	42.3	Very low	162.6 Å²	162.6	138.8 Å²	138.8	87%	0.87	76%	0.762	S	S	*	*			trans	166.1	113.1	140.4	-137.5	-4	0	0	0	113.7	P1136	D1134-P1136 WeakPolarHBondContact O-CD 3.29Å
1135	V	41.6	Very low	42.4	Very low	130 Å²	130	137.8 Å²	137.8	79%	0.788	76%	0.756	S	S	*	*			trans	-121.3	120	179.1	179.8	0	0	0	0	109.9
1136	P	52.9	Low	43	Very low	107.6 Å²	107.6	138.3 Å²	138.3	70%	0.699	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-71.1	152.5	177.5	29.1	-34.5	0	0	0	112.2	D1134	D1134-P1136 WeakPolarHBondContact O-CD 3.29Å
1137	P	52.8	Low	43.2	Very low	119.2 Å²	119.2	140 Å²	140	77%	0.774	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-67.6	147.8	-174.8	27.5	-35.6	0	0	0	112.9
1138	P	55.4	Low	43.6	Very low	115.6 Å²	115.6	142.8 Å²	142.8	75%	0.751	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-69	151.4	175.6	30	-35.2	0	0	0	111.7
1139	P	52.1	Low	43.7	Very low	113.6 Å²	113.6	139.3 Å²	139.3	74%	0.738	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-65.9	150.4	175.3	19.6	-22.9	0	0	0	111.8	E1141	P1139-E1141 PolarHBondContact O-N 3.29Å
1140	P	49	Very low	43.8	Very low	110.6 Å²	110.6	140.5 Å²	140.5	72%	0.718	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-65.3	134.7	-175	6	-7.7	0	0	0	114	T1142	P1140-T1142 PolarHBondContact O-N 3.17Å
1141	E	46.9	Very low	43.9	Very low	177 Å²	177	137.9 Å²	137.9	83%	0.827	76%	0.755	S	S	*	*	S	Bend	trans	-78.2	39.4	-179.6	-69.1	-165.5	132	0	0	114.2	P1139 F1143 K1144	P1139-E1141 PolarHBondContact O-N 3.29Å; E1141-F1143 PolarHBondContact O-N 3.22Å; E1141-F1143 VanDerWaalsContact O-N 3.1Å; E1141-K1144 PolarHBondContact O-N 2.9Å; E1141-K1144 IonicContact OE2-NZ 2.83Å; E1141-K1144 PolarHBondContact OE2-NZ 3.01Å
1142	T	39.3	Very low	43.7	Very low	106.2 Å²	106.2	135.3 Å²	135.3	65%	0.652	75%	0.75	S	S	*	*			trans	-99.7	33.4	176.9	39	0	0	0	0	113.4	P1140	P1140-T1142 PolarHBondContact O-N 3.17Å
1143	F	40.2	Very low	43.8	Very low	191.4 Å²	191.4	136 Å²	136	84%	0.839	75%	0.752	S	S	*	*			trans	-124.7	66.8	165.7	-73.7	-79	0	0	0	111.9	E1141 L1145	E1141-F1143 PolarHBondContact O-N 3.22Å; E1141-F1143 VanDerWaalsContact O-N 3.1Å; F1143-L1145 PolarHBondContact O-N 3.32Å
1144	K	44.2	Very low	43.7	Very low	186.2 Å²	186.2	136.5 Å²	136.5	81%	0.81	75%	0.749	S	S	*	*			trans	-102.4	64.3	172.8	-150	167.2	-169.8	167.9	0	113.4	E1141 P1146	E1141-K1144 PolarHBondContact O-N 2.9Å; E1141-K1144 IonicContact OE2-NZ 2.83Å; E1141-K1144 PolarHBondContact OE2-NZ 3.01Å; K1144-P1146 WeakPolarHBondContact O-CD 3.48Å
1145	L	45.3	Very low	43.4	Very low	129.6 Å²	129.6	134.2 Å²	134.2	68%	0.679	74%	0.742	S	S	*	*			trans	-76.4	147.1	175	-67.1	159.9	0	0	0	111.9	F1143 L1147 D1150	F1143-L1145 PolarHBondContact O-N 3.32Å; L1145-L1147 PolarHBondContact O-N 3.23Å; L1145-D1150 WeakPolarHBondContact CD1-OD1 3.43Å; L1145-D1150 WeakPolarHBondContact CD2-OD1 3.15Å
1146	P	50.8	Low	42.9	Very low	93.4 Å²	93.4	135.5 Å²	135.5	61%	0.606	74%	0.739	S	S	*	*			trans	-66.9	129.9	169.1	-11.6	23.5	0	0	0	111.4	K1144 W1148 V1149	K1144-P1146 WeakPolarHBondContact O-CD 3.48Å; P1146-W1148 HydrophobicContact CB-CD2 4.43Å; P1146-W1148 HydrophobicContact CB-CG 4.44Å; P1146-W1148 HydrophobicContact CB-CZ2 4.34Å; P1146-W1148 VanDerWaalsContact CB-NE1 3.29Å; P1146-W1148 PolarHBondContact O-N 2.88Å; P1146-V1149 HydrophobicContact CB-CG2 4.5Å; P1146-V1149 PolarHBondContact O-N 3.04Å; P1146-V1149 VanDerWaalsContact O-N 3.17Å
1147	L	43.1	Very low	41.8	Very low	162 Å²	162	137.1 Å²	137.1	85%	0.848	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	59.9	172.8	-82.2	164.6	0	0	0	113.4	L1145	L1145-L1147 PolarHBondContact O-N 3.23Å
1148	W	48.1	Very low	40.8	Very low	220.6 Å²	220.6	138.4 Å²	138.4	84%	0.836	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157	50.2	167.6	17.2	-72.6	0	0	0	113.2	P1146	P1146-W1148 HydrophobicContact CB-CD2 4.43Å; P1146-W1148 HydrophobicContact CB-CG 4.44Å; P1146-W1148 HydrophobicContact CB-CZ2 4.34Å; P1146-W1148 VanDerWaalsContact CB-NE1 3.29Å; P1146-W1148 PolarHBondContact O-N 2.88Å
1149	V	41.4	Very low	39.6	Very low	97.2 Å²	97.2	139.8 Å²	139.8	59%	0.589	74%	0.737	S	S	*	*			trans	-119.9	103.6	143.3	-176.2	0	0	0	0	109.8	P1146 T1151	P1146-V1149 HydrophobicContact CB-CG2 4.5Å; P1146-V1149 PolarHBondContact O-N 3.04Å; P1146-V1149 VanDerWaalsContact O-N 3.17Å; V1149-T1151 HydrophobicContact CG1-CG2 3.97Å
1150	D	36.5	Very low	38.6	Very low	140.2 Å²	140.2	138.9 Å²	138.9	75%	0.75	73%	0.734	S	S	*	*			trans	-92.8	110.9	179.4	-137.7	-15.9	0	0	0	113.1	L1145	L1145-D1150 WeakPolarHBondContact CD1-OD1 3.43Å; L1145-D1150 WeakPolarHBondContact CD2-OD1 3.15Å
1151	T	37.8	Very low	37.6	Very low	124.4 Å²	124.4	140.2 Å²	140.2	76%	0.763	74%	0.735	S	S	*	*			trans	-157	105.9	160.2	47.7	0	0	0	0	112.5	V1149 P1153	V1149-T1151 HydrophobicContact CG1-CG2 3.97Å; T1151-P1153 WeakPolarHBondContact O-CD 3.19Å
1152	S	32.4	Very low	36.8	Very low	100.8 Å²	100.8	136.3 Å²	136.3	71%	0.705	73%	0.727	S	S	*	*			trans	-78.5	140.1	163.9	-167.2	0	0	0	0	110.5	H1154	S1152-H1154 PolarHBondContact O-N 3.01Å; S1152-H1154 PolarHBondContact OG-N 3.18Å; S1152-H1154 PolarHBondContact OG-ND1 3.43Å
1153	P	37.9	Very low	36.3	Very low	110.4 Å²	110.4	138.7 Å²	138.7	72%	0.717	74%	0.735	S	S	*	*			trans	-103	140.9	134.4	35.3	-28.7	0	0	0	112.4	T1151 T1155	T1151-P1153 WeakPolarHBondContact O-CD 3.19Å; P1153-T1155 PolarHBondContact O-N 3.47Å; P1153-T1155 VanDerWaalsContact O-N 3.14Å
1154	H	32.8	Very low	35.9	Very low	168 Å²	168	135.5 Å²	135.5	78%	0.778	73%	0.731	S	S	*	*			trans	-107.5	132.8	161.4	-106.6	-3.9	0	0	0	112.5	S1152	S1152-H1154 PolarHBondContact O-N 3.01Å; S1152-H1154 PolarHBondContact OG-N 3.18Å; S1152-H1154 PolarHBondContact OG-ND1 3.43Å
1155	T	31.2	Very low	35.2	Very low	115.2 Å²	115.2	131.8 Å²	131.8	71%	0.707	73%	0.729	S	S	*	*			trans	42.1	106.5	146.1	14.4	0	0	0	0	115.4	P1153 I1157	P1153-T1155 PolarHBondContact O-N 3.47Å; P1153-T1155 VanDerWaalsContact O-N 3.14Å; T1155-I1157 PolarHBondContact O-N 3.44Å
1156	E	30.1	Very low	34.4	Very low	155.8 Å²	155.8	130.5 Å²	130.5	73%	0.728	73%	0.731	S	S	*	*			trans	-174.4	128.7	141.4	-82.3	-172.4	156.5	0	0	114.3	M1158	E1156-M1158 HydrophobicContact CB-CG 4.47Å; E1156-M1158 PolarHBondContact O-N 3.34Å; E1156-M1158 VanDerWaalsContact O-N 3.09Å
1157	I	30.8	Very low	33.5	Very low	142 Å²	142	131.5 Å²	131.5	73%	0.728	74%	0.735	S	S	*	*			trans	90.2	111	137.6	-70.2	168.8	0	0	0	113.7	T1155 I1159	T1155-I1157 PolarHBondContact O-N 3.44Å; I1157-I1159 PolarHBondContact O-N 3.05Å
1158	M	30.6	Very low	33.1	Very low	147 Å²	147	129.4 Å²	129.4	72%	0.724	72%	0.722	S	S	*	*			trans	78.5	132	147.8	-76.8	180	87.1	0	0	116.6	E1156	E1156-M1158 HydrophobicContact CB-CG 4.47Å; E1156-M1158 PolarHBondContact O-N 3.34Å; E1156-M1158 VanDerWaalsContact O-N 3.09Å
1159	I	31.5	Very low	32.4	Very low	143.2 Å²	143.2	127.3 Å²	127.3	73%	0.734	71%	0.714	S	S	*	*				55.6	97.6	124.1	-55.1	167.7	0	0	0	115.1	I1157 N1161	I1157-I1159 PolarHBondContact O-N 3.05Å; I1159-N1161 HydrophobicContact CG2-CB 4.31Å; I1159-N1161 WeakPolarHBondContact CG2-ND2 3.22Å
1160	S	30.3	Very low	32	Very low	96.6 Å²	96.6	127.4 Å²	127.4	68%	0.676	72%	0.715	S	S	*	*				-149.4	133.7	102.1	-58.6	0	0	0	0	111.5	S1162	S1160-S1162 PolarHBondContact O-N 3.31Å
1161	N	29.3	Very low	32	Very low	136.6 Å²	136.6	128.1 Å²	128.1	73%	0.73	71%	0.714	S	S	*	*			trans	-84.6	105.8	141.3	-85.2	-11.2	0	0	0	114.5	L498 R499 I1159	L498-N1161 VanDerWaalsContact C-CB 3.47Å; L498-N1161 VanDerWaalsContact C-OD1 3.25Å; L498-N1161 CarbonylContact O-C 2.92Å; L498-N1161 WeakPolarHBondContact O-CA 3.37Å; L498-N1161 WeakPolarHBondContact O-CB 3.32Å; L498-N1161 PolarHBondContact O-OD1 3.38Å; R499-N1161 VanDerWaalsContact N-CG 3.35Å; R499-N1161 PolarHBondContact N-OD1 3.05Å; R499-N1161 CarbonylContact O-C 3.56Å; R499-N1161 PolarHBondContact O-OD1 3.13Å; R499-N1161 VanDerWaalsContact O-OD1 3.07Å; I1159-N1161 HydrophobicContact CG2-CB 4.31Å; I1159-N1161 WeakPolarHBondContact CG2-ND2 3.22Å
1162	S	29.7	Very low	31.7	Very low	96.4 Å²	96.4	126.8 Å²	126.8	67%	0.674	71%	0.71	S	S	*	*			trans	-157.2	130.1	151.7	-40.7	0	0	0	0	110.8	L498 R499 S1160 T1164	L498-S1162 VanDerWaalsContact O-CB 3.28Å; L498-S1162 WeakPolarHBondContact O-CB 3.4Å; L498-S1162 PolarHBondContact O-N 3.02Å; L498-S1162 PolarHBondContact O-OG 3.44Å; R499-S1162 WeakPolarHBondContact O-CB 3.49Å; R499-S1162 PolarHBondContact O-N 2.8Å; S1160-S1162 PolarHBondContact O-N 3.31Å; S1162-T1164 PolarHBondContact O-N 3.27Å
1163	L	29.2	Very low	32	Very low	156.4 Å²	156.4	127 Å²	127	82%	0.819	71%	0.708	S	S	*	*				-92	140.9	116.9	-78.8	105	0	0	0	113.6
1164	T	30.6	Very low	31.8	Very low	123.8 Å²	123.8	128.5 Å²	128.5	76%	0.76	71%	0.706	S	S	*	*			trans	109.1	122.2	146.6	51.7	0	0	0	0	117	S1162	S1162-T1164 PolarHBondContact O-N 3.27Å
1165	S	28.9	Very low	31.8	Very low	108 Å²	108	129.6 Å²	129.6	76%	0.755	71%	0.709	S	S	*	*				72.7	139.8	106.7	71.4	0	0	0	0	118.3
1166	S	29.4	Very low	32	Very low	103 Å²	103	128.5 Å²	128.5	72%	0.72	71%	0.705	S	S	*	*				147.8	138.1	115	167.1	0	0	0	0	114.3
1167	V	31.7	Very low	32.3	Very low	113.2 Å²	113.2	129.7 Å²	129.7	69%	0.686	71%	0.708	S	S	*	*				82	122.6	85.9	155.4	0	0	0	0	113.8
1168	M	35.5	Very low	32.4	Very low	117.6 Å²	117.6	127.2 Å²	127.2	58%	0.579	70%	0.703	S	S	*	*				164.5	148.4	66.1	-80.8	-111.4	146.9	0	0	113.8	R850 R851	R850-M1168 VanDerWaalsContact CZ-CB 3.41Å; R850-M1168 VanDerWaalsContact NH2-CB 3.3Å; R850-M1168 PolarHBondContact NH2-O 2.69Å; R851-M1168 HydrophobicContact CG-SD 4.15Å
1169	R	33.4	Very low	32.6	Very low	177.6 Å²	177.6	127.7 Å²	127.7	67%	0.67	71%	0.708	S	S	*	*				57.6	144.6	91.5	-79.6	178.7	-171.6	146.4	2	116	R850	R850-R1169 PolarHBondContact NH2-O 2.91Å
1170	T	32.4	Very low	32.6	Very low	100 Å²	100	125.3 Å²	125.3	61%	0.613	70%	0.703	S	S	*	*			cis	-172.2	161.6	29.9	6.6	0	0	0	0	113.9
1171	Q	35.4	Very low	32.7	Very low	154.6 Å²	154.6	127 Å²	127	72%	0.722	70%	0.704	S	S	*	*			trans	91.2	138.6	140.9	-84	157.6	34.2	0	0	118.1	S803	S803-Q1171 PolarHBondContact O-NE2 3.12Å
1172	S	32.6	Very low	33.1	Very low	97.4 Å²	97.4	126.2 Å²	126.2	68%	0.681	70%	0.704	S	S	*	*				169.6	168.7	115.8	63.6	0	0	0	0	113.5	H1174	S1172-H1174 PolarHBondContact OG-CD2 3.07Å; S1172-H1174 PolarHBondContact OG-NE2 2.85Å
1173	P	37.9	Very low	33.2	Very low	103.6 Å²	103.6	129.4 Å²	129.4	67%	0.673	71%	0.709	S	S	*	*			cis	-129.9	177.6	-7.1	39.2	-25.7	0	0	0	116
1174	H	34	Very low	33.7	Very low	142.6 Å²	142.6	128 Å²	128	66%	0.66	71%	0.706	S	S	*	*			trans	75	143.5	143.8	-69.9	-78.2	0	0	0	119.9	S1172	S1172-H1174 PolarHBondContact OG-CD2 3.07Å; S1172-H1174 PolarHBondContact OG-NE2 2.85Å
1175	F	34.2	Very low	33.8	Very low	191.6 Å²	191.6	129.1 Å²	129.1	84%	0.84	71%	0.708	S	S	*	*				-153.5	155.4	84.5	-104	-65.2	0	0	0	114.9
1176	S	34.2	Very low	34.1	Very low	90.6 Å²	90.6	130 Å²	130	63%	0.634	71%	0.708	S	S	*	*			trans	176.5	154	171.2	63	0	0	0	0	118
1177	K	37.4	Very low	34.4	Very low	182.2 Å²	182.2	129.4 Å²	129.4	79%	0.792	71%	0.71	S	S	*	*			trans	149	132.5	142.3	-97	172.1	-177.6	-177.1	0	114
1178	S	32	Very low	34.8	Very low	89.8 Å²	89.8	131 Å²	131	63%	0.628	71%	0.713	S	S	*	*				110.5	142.5	114	74.3	0	0	0	0	116.4
1179	L	34.8	Very low	35.1	Very low	156.2 Å²	156.2	133.6 Å²	133.6	82%	0.818	72%	0.724	S	S	*	*				-150.2	151.7	98.4	-111.7	106.4	0	0	0	112.3
1180	C	31.9	Very low	35.4	Very low	93 Å²	93	131.9 Å²	131.9	63%	0.628	73%	0.728	S	S	*	*			trans	86.7	147.4	132	-70.8	0	0	0	0	113.1
1181	D	31.6	Very low	36	Very low	132.2 Å²	132.2	131.2 Å²	131.2	71%	0.707	73%	0.727	S	S	*	*			cis	-158.1	149.4	8.6	-112.4	-37.5	0	0	0	109.6	S1087 S1088 Y1089	S1087-D1181 VanDerWaalsContact CA-CG 3.44Å; S1087-D1181 WeakPolarHBondContact CA-OD2 3.39Å; S1087-D1181 VanDerWaalsContact N-CG 3.34Å; S1087-D1181 PolarHBondContact N-OD2 3.12Å; S1088-D1181 CarbonylContact C-O 3.45Å; S1088-D1181 WeakPolarHBondContact CA-O 3.39Å; S1088-D1181 VanDerWaalsContact CA-OD1 3.31Å; S1088-D1181 WeakPolarHBondContact CA-OD1 3.4Å; S1088-D1181 WeakPolarHBondContact CB-OD1 3.49Å; S1088-D1181 PolarHBondContact OG-OD1 3.48Å; Y1089-D1181 PolarHBondContact N-O 2.94Å
1182	V	38	Very low	36.6	Very low	119.4 Å²	119.4	129 Å²	129	72%	0.724	73%	0.729	S	S	*	*			trans	-168.3	135	139.2	157.9	0	0	0	0	111.1	Y1089 A1090	Y1089-V1182 HydrophobicContact CD1-CG1 4.4Å; A1090-V1182 HydrophobicContact CB-CG1 4.25Å
1183	E	33	Very low	37.6	Very low	165.2 Å²	165.2	127.9 Å²	127.9	77%	0.772	73%	0.733	S	S	*	*			trans	-73.5	143.2	160.3	-70.6	174	138.7	0	0	112.6	Y1089	Y1089-E1183 HydrophobicContact CE1-CB 3.81Å; Y1089-E1183 HydrophobicContact CE1-CG 3.86Å; Y1089-E1183 PolarHBondContact OH-OE2 3.15Å
1184	T	39.4	Very low	38.8	Very low	125.4 Å²	125.4	124.7 Å²	124.7	77%	0.769	71%	0.713	S	S	*	*			trans	-150.7	129.6	143.7	-50	0	0	0	0	109.9
1185	D	31.8	Very low	40.8	Very low	147.6 Å²	147.6	120.6 Å²	120.6	79%	0.789	70%	0.7	S	S	*	*			trans	-49.7	151.6	173.9	-72.8	-69.7	0	0	0	116.5	A1187	D1185-A1187 VanDerWaalsContact C-N 3.29Å; D1185-A1187 PolarHBondContact O-N 2.83Å; D1185-A1187 VanDerWaalsContact O-N 3.12Å
1186	V	36.5	Very low	42.9	Very low	126.8 Å²	126.8	116.8 Å²	116.8	77%	0.768	69%	0.688	S	S	*	*			trans	-79.2	75.2	164.2	-169.7	0	0	0	0	111.1	I1188	V1186-I1188 HydrophobicContact CG1-CD1 3.91Å; V1186-I1188 HydrophobicContact CG1-CG1 3.96Å; V1186-I1188 PolarHBondContact O-N 3.07Å; V1186-I1188 VanDerWaalsContact O-N 3.15Å
1187	A	33.9	Very low	45.4	Very low	90.4 Å²	90.4	117 Å²	117	75%	0.747	68%	0.681	S	S	*	*			trans	-73.5	110.9	167.2	0	0	0	0	0	110	D1185 Q1189	D1185-A1187 VanDerWaalsContact C-N 3.29Å; D1185-A1187 PolarHBondContact O-N 2.83Å; D1185-A1187 VanDerWaalsContact O-N 3.12Å; A1187-Q1189 PolarHBondContact O-N 3Å; A1187-Q1189 VanDerWaalsContact O-N 3.11Å
1188	I	41.3	Very low	47.5	Very low	148.2 Å²	148.2	112.4 Å²	112.4	76%	0.76	66%	0.663	S	S	*	*			trans	-84.4	94.2	174.7	-60.2	176	0	0	0	107.1	V1186 D1190	V1186-I1188 HydrophobicContact CG1-CD1 3.91Å; V1186-I1188 HydrophobicContact CG1-CG1 3.96Å; V1186-I1188 PolarHBondContact O-N 3.07Å; V1186-I1188 VanDerWaalsContact O-N 3.15Å; I1188-D1190 PolarHBondContact O-N 3.09Å
1189	Q	41	Very low	50.1	Low	172.2 Å²	172.2	113.8 Å²	113.8	81%	0.805	65%	0.654	S	S	*	*			trans	-59.9	127.2	165.5	-149.5	177.3	10.4	0	0	110.5	A1187 S1191	A1187-Q1189 PolarHBondContact O-N 3Å; A1187-Q1189 VanDerWaalsContact O-N 3.11Å; Q1189-S1191 WeakPolarHBondContact CG-OG 3.2Å; Q1189-S1191 PolarHBondContact O-N 2.94Å; Q1189-S1191 VanDerWaalsContact O-N 3.12Å; Q1189-S1191 PolarHBondContact O-OG 2.9Å
1190	D	39.2	Very low	52.4	Low	140.2 Å²	140.2	110.1 Å²	110.1	75%	0.75	64%	0.635	S	S	*	*			trans	-57.4	105.6	-177.9	-84.5	-58	0	0	0	112.1	I1188 S1192 R1199	I1188-D1190 PolarHBondContact O-N 3.09Å; D1190-S1192 PolarHBondContact O-N 3.01Å; D1190-R1199 IonicContact OD1-NH1 3.75Å; D1190-R1199 PolarHBondContact OD1-NH1 3Å; D1190-R1199 IonicContact OD2-CZ 2.66Å; D1190-R1199 IonicContact OD2-NH1 2.72Å; D1190-R1199 PolarHBondContact OD2-NH1 3.19Å
1191	S	45.3	Very low	55.1	Low	85 Å²	85	112.1 Å²	112.1	59%	0.594	63%	0.629	S	S	*	*			trans	-94.9	38.9	-175.5	22.5	0	0	0	0	113.8	Q1189 G1193 C1194	Q1189-S1191 WeakPolarHBondContact CG-OG 3.2Å; Q1189-S1191 PolarHBondContact O-N 2.94Å; Q1189-S1191 VanDerWaalsContact O-N 3.12Å; Q1189-S1191 PolarHBondContact O-OG 2.9Å; S1191-G1193 VanDerWaalsContact C-N 3.33Å; S1191-G1193 PolarHBondContact O-N 3.22Å; S1191-C1194 VanDerWaalsContact CA-SG 3.55Å
1192	S	48.6	Very low	57.9	Low	109.2 Å²	109.2	110.8 Å²	110.8	76%	0.764	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	53.1	172.9	57	0	0	0	0	111.4	D1190 C1194	D1190-S1192 PolarHBondContact O-N 3.01Å; S1192-C1194 PolarHBondContact O-N 3.08Å; S1192-C1194 PolarHBondContact O-SG 3.44Å; S1192-C1194 VanDerWaalsContact O-SG 3.33Å
1193	G	53.9	Low	60.3	Low	74.6 Å²	74.6	109.9 Å²	109.9	77%	0.769	61%	0.612	S	S	*	*	S	Bend	trans	-133.1	1	-177.5	0	0	0	0	0	116.1	S1191 S1195	S1191-G1193 VanDerWaalsContact C-N 3.33Å; S1191-G1193 PolarHBondContact O-N 3.22Å; G1193-S1195 PolarHBondContact O-N 2.99Å
1194	C	62.6	Low	62.9	Low	37.2 Å²	37.2	106 Å²	106	25%	0.251	60%	0.597	S	S	.	*			trans	-73.8	135.4	-179.2	97.9	0	0	0	0	112	S1191 S1192 E1198 R1199	S1191-C1194 VanDerWaalsContact CA-SG 3.55Å; S1192-C1194 PolarHBondContact O-N 3.08Å; S1192-C1194 PolarHBondContact O-SG 3.44Å; S1192-C1194 VanDerWaalsContact O-SG 3.33Å; C1194-E1198 VanDerWaalsContact CA-OE2 3.27Å; C1194-E1198 WeakPolarHBondContact CA-OE2 3.2Å; C1194-E1198 HydrophobicContact CB-CB 4.14Å; C1194-E1198 HydrophobicContact CB-CG 3.98Å; C1194-E1198 VanDerWaalsContact CB-OE2 3.25Å; C1194-E1198 WeakPolarHBondContact CB-OE2 3.36Å; C1194-E1198 PolarHBondContact SG-OE2 3.34Å; C1194-R1199 HydrophobicContact CB-CG 4.43Å; C1194-R1199 PolarHBondContact O-NE 2.79Å; C1194-R1199 PolarHBondContact O-NH1 2.9Å; C1194-R1199 VanDerWaalsContact SG-CG 3.51Å; C1194-R1199 WeakPolarHBondContact SG-CG 3.26Å
1195	S	76.1	Confident	65.1	Low	55 Å²	55	103.7 Å²	103.7	39%	0.385	58%	0.583	S	S	.	*			trans	-66.2	161.9	-178	108.6	0	0	0	0	112.1	G1193 D1197 E1198 R1199	G1193-S1195 PolarHBondContact O-N 2.99Å; S1195-D1197 VanDerWaalsContact C-N 3.31Å; S1195-D1197 PolarHBondContact O-N 3.03Å; S1195-D1197 PolarHBondContact OG-N 3.03Å; S1195-D1197 PolarHBondContact OG-OD2 3.11Å; S1195-D1197 VanDerWaalsContact OG-OD2 3.06Å; S1195-E1198 PolarHBondContact N-OE2 3.13Å; S1195-E1198 CarbonylContact O-C 3.24Å; S1195-E1198 WeakPolarHBondContact O-CA 3.27Å; S1195-E1198 WeakPolarHBondContact O-CB 3.45Å; S1195-E1198 PolarHBondContact O-N 3.09Å; S1195-E1198 VanDerWaalsContact O-N 3.12Å; S1195-E1198 VanDerWaalsContact OG-CB 3.31Å; S1195-E1198 WeakPolarHBondContact OG-CB 3.29Å; S1195-E1198 PolarHBondContact OG-N 2.96Å; S1195-E1198 VanDerWaalsContact OG-N 3.09Å; S1195-R1199 PolarHBondContact O-N 3.18Å; S1195-R1199 VanDerWaalsContact O-N 3.1Å; S1195-R1199 PolarHBondContact O-NE 3.35Å
1196	L	78.9	Confident	67.5	Low	112.6 Å²	112.6	103 Å²	103	59%	0.59	57%	0.574	S	S	*	*	H	α-helix	trans	-58.7	-43.1	171.1	-179.4	90.5	0	0	0	111.2	E1198 R1199 I1200	L1196-E1198 VanDerWaalsContact C-N 3.32Å; L1196-E1198 PolarHBondContact O-N 3.14Å; L1196-R1199 PolarHBondContact O-N 3.1Å; L1196-I1200 HydrophobicContact CD1-CD1 4.45Å; L1196-I1200 HydrophobicContact CD2-CD1 3.56Å; L1196-I1200 HydrophobicContact CG-CD1 4.12Å; L1196-I1200 WeakPolarHBondContact O-CB 3.34Å; L1196-I1200 VanDerWaalsContact O-CG1 3.3Å; L1196-I1200 WeakPolarHBondContact O-CG1 3.33Å; L1196-I1200 PolarHBondContact O-N 2.98Å
1197	D	85.6	Confident	69.7	Low	93.6 Å²	93.6	101.2 Å²	101.2	50%	0.501	56%	0.56	S	S	.	*	H	α-helix	trans	-61.3	-34.6	175.4	-92.9	-26.8	0	0	0	112.9	S1195 I1200 R1201	S1195-D1197 VanDerWaalsContact C-N 3.31Å; S1195-D1197 PolarHBondContact O-N 3.03Å; S1195-D1197 PolarHBondContact OG-N 3.03Å; S1195-D1197 PolarHBondContact OG-OD2 3.11Å; S1195-D1197 VanDerWaalsContact OG-OD2 3.06Å; D1197-I1200 PolarHBondContact O-N 3.4Å; D1197-R1201 WeakPolarHBondContact O-CB 3.34Å; D1197-R1201 VanDerWaalsContact O-CG 3.28Å; D1197-R1201 WeakPolarHBondContact O-CG 3.29Å; D1197-R1201 PolarHBondContact O-N 3.22Å; D1197-R1201 IonicContact OD1-CZ 3.44Å; D1197-R1201 IonicContact OD1-NH1 3.36Å; D1197-R1201 PolarHBondContact OD1-NH1 2.95Å; D1197-R1201 IonicContact OD1-NH2 3.48Å; D1197-R1201 IonicContact OD2-CZ 3.74Å; D1197-R1201 IonicContact OD2-NH1 3.13Å; D1197-R1201 PolarHBondContact OD2-NH1 3.04Å; D1197-R1201 IonicContact OD2-NH2 3.08Å; D1197-R1201 PolarHBondContact OD2-NH2 2.86Å
1198	E	82.8	Confident	71.8	Confident	87.4 Å²	87.4	103.7 Å²	103.7	41%	0.408	56%	0.558	S	S	.	*	H	α-helix	trans	-74.6	-39.4	177.4	-168.1	149.9	-135.2	0	0	111.9	C1194 S1195 L1196 I1200 R1201 L1202	C1194-E1198 VanDerWaalsContact CA-OE2 3.27Å; C1194-E1198 WeakPolarHBondContact CA-OE2 3.2Å; C1194-E1198 HydrophobicContact CB-CB 4.14Å; C1194-E1198 HydrophobicContact CB-CG 3.98Å; C1194-E1198 VanDerWaalsContact CB-OE2 3.25Å; C1194-E1198 WeakPolarHBondContact CB-OE2 3.36Å; C1194-E1198 PolarHBondContact SG-OE2 3.34Å; S1195-E1198 PolarHBondContact N-OE2 3.13Å; S1195-E1198 CarbonylContact O-C 3.24Å; S1195-E1198 WeakPolarHBondContact O-CA 3.27Å; S1195-E1198 WeakPolarHBondContact O-CB 3.45Å; S1195-E1198 PolarHBondContact O-N 3.09Å; S1195-E1198 VanDerWaalsContact O-N 3.12Å; S1195-E1198 VanDerWaalsContact OG-CB 3.31Å; S1195-E1198 WeakPolarHBondContact OG-CB 3.29Å; S1195-E1198 PolarHBondContact OG-N 2.96Å; S1195-E1198 VanDerWaalsContact OG-N 3.09Å; L1196-E1198 VanDerWaalsContact C-N 3.32Å; L1196-E1198 PolarHBondContact O-N 3.14Å; E1198-I1200 VanDerWaalsContact C-N 3.32Å; E1198-I1200 PolarHBondContact O-N 2.85Å; E1198-R1201 PolarHBondContact O-N 3.16Å; E1198-R1201 IonicContact OE1-NH2 3.64Å; E1198-R1201 IonicContact OE2-CZ 3.69Å; E1198-R1201 IonicContact OE2-NH2 2.73Å; E1198-R1201 PolarHBondContact OE2-NH2 2.75Å; E1198-L1202 HydrophobicContact CG-CD1 4.34Å; E1198-L1202 WeakPolarHBondContact O-CB 3.28Å; E1198-L1202 VanDerWaalsContact O-CG 3.29Å; E1198-L1202 WeakPolarHBondContact O-CG 3.28Å; E1198-L1202 PolarHBondContact O-N 3.21Å
1199	R	85.1	Confident	73.6	Confident	118 Å²	118	104.2 Å²	104.2	45%	0.445	55%	0.554	S	S	.	*	H	α-helix	trans	-64.5	-37.6	170.6	-69.5	-173.2	-69.3	-177.5	-1.6	112.1	D1190 C1194 S1195 L1196 L1202 L1203	D1190-R1199 IonicContact OD1-NH1 3.75Å; D1190-R1199 PolarHBondContact OD1-NH1 3Å; D1190-R1199 IonicContact OD2-CZ 2.66Å; D1190-R1199 IonicContact OD2-NH1 2.72Å; D1190-R1199 PolarHBondContact OD2-NH1 3.19Å; C1194-R1199 HydrophobicContact CB-CG 4.43Å; C1194-R1199 PolarHBondContact O-NE 2.79Å; C1194-R1199 PolarHBondContact O-NH1 2.9Å; C1194-R1199 VanDerWaalsContact SG-CG 3.51Å; C1194-R1199 WeakPolarHBondContact SG-CG 3.26Å; S1195-R1199 PolarHBondContact O-N 3.18Å; S1195-R1199 VanDerWaalsContact O-N 3.1Å; S1195-R1199 PolarHBondContact O-NE 3.35Å; L1196-R1199 PolarHBondContact O-N 3.1Å; R1199-L1202 PolarHBondContact O-N 3.22Å; R1199-L1203 WeakPolarHBondContact O-CB 3.34Å; R1199-L1203 VanDerWaalsContact O-CG 3.29Å; R1199-L1203 WeakPolarHBondContact O-CG 3.44Å; R1199-L1203 PolarHBondContact O-N 2.98Å
1200	I	84	Confident	75	Confident	78.6 Å²	78.6	98.5 Å²	98.5	40%	0.403	53%	0.534	S	S	.	.	H	α-helix	trans	-63	-50	172.2	-70.2	167.6	0	0	0	110.2	L1196 D1197 E1198 L1202 L1203 D1204	L1196-I1200 HydrophobicContact CD1-CD1 4.45Å; L1196-I1200 HydrophobicContact CD2-CD1 3.56Å; L1196-I1200 HydrophobicContact CG-CD1 4.12Å; L1196-I1200 WeakPolarHBondContact O-CB 3.34Å; L1196-I1200 VanDerWaalsContact O-CG1 3.3Å; L1196-I1200 WeakPolarHBondContact O-CG1 3.33Å; L1196-I1200 PolarHBondContact O-N 2.98Å; D1197-I1200 PolarHBondContact O-N 3.4Å; E1198-I1200 VanDerWaalsContact C-N 3.32Å; E1198-I1200 PolarHBondContact O-N 2.85Å; I1200-L1202 VanDerWaalsContact C-N 3.31Å; I1200-L1202 PolarHBondContact O-N 3.03Å; I1200-L1203 CarbonylContact O-C 3.4Å; I1200-L1203 PolarHBondContact O-N 2.96Å; I1200-L1203 VanDerWaalsContact O-N 3.13Å; I1200-D1204 WeakPolarHBondContact O-CB 3.48Å; I1200-D1204 PolarHBondContact O-N 3.02Å
1201	R	89.2	Confident	76.1	Confident	135 Å²	135	98.6 Å²	98.6	51%	0.509	53%	0.53	S	S	.	.	H	α-helix	trans	-57.3	-40.8	176.6	-74.1	-176.8	-77.4	-132.1	2.6	113	D1197 E1198 D1204 V1205	D1197-R1201 WeakPolarHBondContact O-CB 3.34Å; D1197-R1201 VanDerWaalsContact O-CG 3.28Å; D1197-R1201 WeakPolarHBondContact O-CG 3.29Å; D1197-R1201 PolarHBondContact O-N 3.22Å; D1197-R1201 IonicContact OD1-CZ 3.44Å; D1197-R1201 IonicContact OD1-NH1 3.36Å; D1197-R1201 PolarHBondContact OD1-NH1 2.95Å; D1197-R1201 IonicContact OD1-NH2 3.48Å; D1197-R1201 IonicContact OD2-CZ 3.74Å; D1197-R1201 IonicContact OD2-NH1 3.13Å; D1197-R1201 PolarHBondContact OD2-NH1 3.04Å; D1197-R1201 IonicContact OD2-NH2 3.08Å; D1197-R1201 PolarHBondContact OD2-NH2 2.86Å; E1198-R1201 PolarHBondContact O-N 3.16Å; E1198-R1201 IonicContact OE1-NH2 3.64Å; E1198-R1201 IonicContact OE2-CZ 3.69Å; E1198-R1201 IonicContact OE2-NH2 2.73Å; E1198-R1201 PolarHBondContact OE2-NH2 2.75Å; R1201-D1204 PolarHBondContact O-N 2.98Å; R1201-V1205 WeakPolarHBondContact O-CB 3.28Å; R1201-V1205 VanDerWaalsContact O-CG2 3.3Å; R1201-V1205 WeakPolarHBondContact O-CG2 3.39Å; R1201-V1205 PolarHBondContact O-N 3.01Å
1202	L	89.7	Confident	76.8	Confident	104.2 Å²	104.2	103.9 Å²	103.9	55%	0.546	54%	0.542	S	S	.	.	H	α-helix	trans	-68.2	-41.1	177.4	-72	169.8	0	0	0	111.9	E1198 R1199 I1200 V1205 Q1206	E1198-L1202 HydrophobicContact CG-CD1 4.34Å; E1198-L1202 WeakPolarHBondContact O-CB 3.28Å; E1198-L1202 VanDerWaalsContact O-CG 3.29Å; E1198-L1202 WeakPolarHBondContact O-CG 3.28Å; E1198-L1202 PolarHBondContact O-N 3.21Å; R1199-L1202 PolarHBondContact O-N 3.22Å; I1200-L1202 VanDerWaalsContact C-N 3.31Å; I1200-L1202 PolarHBondContact O-N 3.03Å; L1202-V1205 PolarHBondContact O-N 3.08Å; L1202-Q1206 WeakPolarHBondContact O-CB 3.35Å; L1202-Q1206 PolarHBondContact O-N 2.96Å
1203	L	89.5	Confident	77.1	Confident	101 Å²	101	102.8 Å²	102.8	53%	0.529	54%	0.539	S	S	.	.	H	α-helix	trans	-63.7	-42.4	173.4	-76.3	168.3	0	0	0	112	R1199 I1200 V1205 Q1206 L1207	R1199-L1203 WeakPolarHBondContact O-CB 3.34Å; R1199-L1203 VanDerWaalsContact O-CG 3.29Å; R1199-L1203 WeakPolarHBondContact O-CG 3.44Å; R1199-L1203 PolarHBondContact O-N 2.98Å; I1200-L1203 CarbonylContact O-C 3.4Å; I1200-L1203 PolarHBondContact O-N 2.96Å; I1200-L1203 VanDerWaalsContact O-N 3.13Å; L1203-V1205 PolarHBondContact O-N 3.05Å; L1203-Q1206 CarbonylContact O-C 3.47Å; L1203-Q1206 WeakPolarHBondContact O-CA 3.46Å; L1203-Q1206 WeakPolarHBondContact O-CB 3.39Å; L1203-Q1206 PolarHBondContact O-N 3.13Å; L1203-Q1206 VanDerWaalsContact O-N 3.12Å; L1203-L1207 VanDerWaalsContact O-CB 3.3Å; L1203-L1207 WeakPolarHBondContact O-CB 3.4Å; L1203-L1207 VanDerWaalsContact O-CG 3.28Å; L1203-L1207 WeakPolarHBondContact O-CG 3.38Å; L1203-L1207 PolarHBondContact O-N 3.07Å
1204	D	87.4	Confident	77.2	Confident	84.6 Å²	84.6	107.6 Å²	107.6	45%	0.452	53%	0.534	S	S	.	.	H	α-helix	trans	-62.7	-43.5	175.4	-77.4	-25.2	0	0	0	111.5	I1200 R1201 Q1206 L1207 M1208	I1200-D1204 WeakPolarHBondContact O-CB 3.48Å; I1200-D1204 PolarHBondContact O-N 3.02Å; R1201-D1204 PolarHBondContact O-N 2.98Å; D1204-Q1206 VanDerWaalsContact C-N 3.3Å; D1204-Q1206 PolarHBondContact O-N 3.03Å; D1204-L1207 PolarHBondContact O-N 3.09Å; D1204-L1207 VanDerWaalsContact O-N 3.17Å; D1204-M1208 WeakPolarHBondContact O-CB 3.36Å; D1204-M1208 VanDerWaalsContact O-CG 3.31Å; D1204-M1208 WeakPolarHBondContact O-CG 3.43Å; D1204-M1208 PolarHBondContact O-N 3.07Å
1205	V	83.9	Confident	77	Confident	77.2 Å²	77.2	111.2 Å²	111.2	47%	0.468	56%	0.557	S	S	.	*	H	α-helix	trans	-62.7	-36.2	173.8	168	0	0	0	0	111.6	R1201 L1202 L1203 K1209	R1201-V1205 WeakPolarHBondContact O-CB 3.28Å; R1201-V1205 VanDerWaalsContact O-CG2 3.3Å; R1201-V1205 WeakPolarHBondContact O-CG2 3.39Å; R1201-V1205 PolarHBondContact O-N 3.01Å; L1202-V1205 PolarHBondContact O-N 3.08Å; L1203-V1205 PolarHBondContact O-N 3.05Å; V1205-K1209 HydrophobicContact CG1-CD 4.33Å; V1205-K1209 WeakPolarHBondContact O-CB 3.38Å; V1205-K1209 WeakPolarHBondContact O-CD 3.31Å; V1205-K1209 VanDerWaalsContact O-CG 3.25Å; V1205-K1209 WeakPolarHBondContact O-CG 3.38Å; V1205-K1209 PolarHBondContact O-N 3.37Å; V1205-K1209 VanDerWaalsContact O-N 3.11Å
1206	Q	82.6	Confident	76.1	Confident	131.8 Å²	131.8	115.4 Å²	115.4	62%	0.616	58%	0.581	S	S	*	*	H	α-helix	trans	-73.6	-35.1	176.2	-169.4	165.4	-4.6	0	0	112.3	L1202 L1203 D1204 K1209 S1210	L1202-Q1206 WeakPolarHBondContact O-CB 3.35Å; L1202-Q1206 PolarHBondContact O-N 2.96Å; L1203-Q1206 CarbonylContact O-C 3.47Å; L1203-Q1206 WeakPolarHBondContact O-CA 3.46Å; L1203-Q1206 WeakPolarHBondContact O-CB 3.39Å; L1203-Q1206 PolarHBondContact O-N 3.13Å; L1203-Q1206 VanDerWaalsContact O-N 3.12Å; D1204-Q1206 VanDerWaalsContact C-N 3.3Å; D1204-Q1206 PolarHBondContact O-N 3.03Å; Q1206-K1209 PolarHBondContact O-N 3.06Å; Q1206-S1210 WeakPolarHBondContact O-CB 3.37Å; Q1206-S1210 PolarHBondContact O-N 3.11Å; Q1206-S1210 PolarHBondContact O-OG 3.31Å
1207	L	82.2	Confident	75.5	Confident	89.8 Å²	89.8	113.3 Å²	113.3	47%	0.47	57%	0.573	S	S	.	*	H	α-helix	trans	-67.5	-46.5	172.9	-75.4	169	0	0	0	111.2	L1203 D1204 K1209 S1210 E1211	L1203-L1207 VanDerWaalsContact O-CB 3.3Å; L1203-L1207 WeakPolarHBondContact O-CB 3.4Å; L1203-L1207 VanDerWaalsContact O-CG 3.28Å; L1203-L1207 WeakPolarHBondContact O-CG 3.38Å; L1203-L1207 PolarHBondContact O-N 3.07Å; D1204-L1207 PolarHBondContact O-N 3.09Å; D1204-L1207 VanDerWaalsContact O-N 3.17Å; L1207-K1209 VanDerWaalsContact C-N 3.27Å; L1207-K1209 PolarHBondContact O-N 3.01Å; L1207-S1210 WeakPolarHBondContact CA-OG 3.41Å; L1207-S1210 CarbonylContact O-C 3.3Å; L1207-S1210 WeakPolarHBondContact O-CA 3.41Å; L1207-S1210 PolarHBondContact O-N 3.19Å; L1207-S1210 VanDerWaalsContact O-N 3.15Å; L1207-S1210 PolarHBondContact O-OG 3.09Å; L1207-E1211 WeakPolarHBondContact O-CB 3.28Å; L1207-E1211 PolarHBondContact O-N 3.1Å
1208	M	79	Confident	74.4	Confident	142 Å²	142	112.1 Å²	112.1	70%	0.7	57%	0.566	S	S	*	*	H	α-helix	trans	-61	-31.1	173.7	-71.1	-162.7	91.2	0	0	112.9	D1204	D1204-M1208 WeakPolarHBondContact O-CB 3.36Å; D1204-M1208 VanDerWaalsContact O-CG 3.31Å; D1204-M1208 WeakPolarHBondContact O-CG 3.43Å; D1204-M1208 PolarHBondContact O-N 3.07Å
1209	K	79.2	Confident	73.1	Confident	158.2 Å²	158.2	116.3 Å²	116.3	69%	0.688	58%	0.58	S	S	*	*	H	α-helix	trans	-72.5	-37.9	171.1	-79	176	175.2	-179.8	0	112.3	V1205 Q1206 L1207 E1211 K1212	V1205-K1209 HydrophobicContact CG1-CD 4.33Å; V1205-K1209 WeakPolarHBondContact O-CB 3.38Å; V1205-K1209 WeakPolarHBondContact O-CD 3.31Å; V1205-K1209 VanDerWaalsContact O-CG 3.25Å; V1205-K1209 WeakPolarHBondContact O-CG 3.38Å; V1205-K1209 PolarHBondContact O-N 3.37Å; V1205-K1209 VanDerWaalsContact O-N 3.11Å; Q1206-K1209 PolarHBondContact O-N 3.06Å; L1207-K1209 VanDerWaalsContact C-N 3.27Å; L1207-K1209 PolarHBondContact O-N 3.01Å; K1209-E1211 PolarHBondContact O-N 3.03Å; K1209-K1212 PolarHBondContact O-N 3.33Å
1210	S	71	Confident	72.1	Confident	54 Å²	54	115.2 Å²	115.2	38%	0.378	59%	0.59	S	S	.	*	H	α-helix	trans	-81.4	-4.4	-178.3	66.8	0	0	0	0	114	Q1206 L1207 K1212 A1213 R1214	Q1206-S1210 WeakPolarHBondContact O-CB 3.37Å; Q1206-S1210 PolarHBondContact O-N 3.11Å; Q1206-S1210 PolarHBondContact O-OG 3.31Å; L1207-S1210 WeakPolarHBondContact CA-OG 3.41Å; L1207-S1210 CarbonylContact O-C 3.3Å; L1207-S1210 WeakPolarHBondContact O-CA 3.41Å; L1207-S1210 PolarHBondContact O-N 3.19Å; L1207-S1210 VanDerWaalsContact O-N 3.15Å; L1207-S1210 PolarHBondContact O-OG 3.09Å; S1210-K1212 VanDerWaalsContact C-N 3.27Å; S1210-K1212 PolarHBondContact O-N 3.29Å; S1210-A1213 CarbonylContact O-C 3.58Å; S1210-A1213 WeakPolarHBondContact O-CA 3.29Å; S1210-A1213 VanDerWaalsContact O-CB 3.3Å; S1210-A1213 WeakPolarHBondContact O-CB 3.36Å; S1210-A1213 PolarHBondContact O-N 2.96Å; S1210-R1214 PolarHBondContact O-N 3Å
1211	E	61.4	Low	71.2	Confident	141.4 Å²	141.4	119.4 Å²	119.4	66%	0.661	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-62.5	-19.8	176.5	-172.9	172.8	-153.6	0	0	111.6	L1207 K1209 A1213 R1214	L1207-E1211 WeakPolarHBondContact O-CB 3.28Å; L1207-E1211 PolarHBondContact O-N 3.1Å; K1209-E1211 PolarHBondContact O-N 3.03Å; E1211-A1213 PolarHBondContact O-N 3.31Å; E1211-R1214 PolarHBondContact O-N 3.1Å
1212	K	59.6	Low	69.7	Low	196.4 Å²	196.4	119.9 Å²	119.9	85%	0.854	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-81.8	4.4	170.3	-65.9	-173.2	179	179.6	0	113.5	K1209 S1210 R1214	K1209-K1212 PolarHBondContact O-N 3.33Å; S1210-K1212 VanDerWaalsContact C-N 3.27Å; S1210-K1212 PolarHBondContact O-N 3.29Å; K1212-R1214 PolarHBondContact O-N 2.66Å; K1212-R1214 VanDerWaalsContact O-N 3.14Å
1213	A	55.2	Low	68.2	Low	85.2 Å²	85.2	124.5 Å²	124.5	70%	0.704	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-96.2	10.1	179.9	0	0	0	0	0	113.1	S1210 E1211 P1215	S1210-A1213 CarbonylContact O-C 3.58Å; S1210-A1213 WeakPolarHBondContact O-CA 3.29Å; S1210-A1213 VanDerWaalsContact O-CB 3.3Å; S1210-A1213 WeakPolarHBondContact O-CB 3.36Å; S1210-A1213 PolarHBondContact O-N 2.96Å; E1211-A1213 PolarHBondContact O-N 3.31Å; A1213-P1215 WeakPolarHBondContact O-CD 3.24Å
1214	R	55.3	Low	66.7	Low	175.4 Å²	175.4	126.6 Å²	126.6	66%	0.662	63%	0.632	S	S	*	*	S	Bend	trans	-74.1	126.6	169.3	-73.9	-177.4	171	166.3	-1.6	109.4	S1210 E1211 K1212 T1216	S1210-R1214 PolarHBondContact O-N 3Å; E1211-R1214 PolarHBondContact O-N 3.1Å; K1212-R1214 PolarHBondContact O-N 2.66Å; K1212-R1214 VanDerWaalsContact O-N 3.14Å; R1214-T1216 PolarHBondContact O-N 2.85Å
1215	P	58.1	Low	65.3	Low	112.8 Å²	112.8	133.1 Å²	133.1	73%	0.732	65%	0.65	S	S	*	*			trans	-60.8	132.9	171.7	-3	7.6	0	0	0	110	A1213 V1217	A1213-P1215 WeakPolarHBondContact O-CD 3.24Å; P1215-V1217 VanDerWaalsContact C-N 3.28Å; P1215-V1217 PolarHBondContact O-N 2.99Å
1216	T	58.6	Low	64	Low	143.2 Å²	143.2	140.7 Å²	140.7	88%	0.879	67%	0.67	S	S	*	*			trans	-69.4	91.2	177.7	-47.6	0	0	0	0	110	R1214 D1218	R1214-T1216 PolarHBondContact O-N 2.85Å; T1216-D1218 PolarHBondContact O-N 3.22Å
1217	V	65.2	Low	62.4	Low	69.8 Å²	69.8	142.4 Å²	142.4	42%	0.423	68%	0.675	S	S	.	*			trans	-66.7	109.7	176.4	179.3	0	0	0	0	108.9	P1215 Y1219 F1222	P1215-V1217 VanDerWaalsContact C-N 3.28Å; P1215-V1217 PolarHBondContact O-N 2.99Å; V1217-Y1219 VanDerWaalsContact C-N 3.32Å; V1217-Y1219 HydrophobicContact CB-CD2 4.26Å; V1217-Y1219 HydrophobicContact CB-CE1 4.42Å; V1217-Y1219 HydrophobicContact CB-CE2 4.15Å; V1217-Y1219 HydrophobicContact CG1-CD1 4.16Å; V1217-Y1219 HydrophobicContact CG1-CD2 4.2Å; V1217-Y1219 HydrophobicContact CG1-CE1 3.9Å; V1217-Y1219 HydrophobicContact CG1-CE2 4.27Å; V1217-Y1219 HydrophobicContact CG1-CG 4.37Å; V1217-Y1219 WeakPolarHBondContact O-CD2 3.35Å; V1217-Y1219 WeakPolarHBondContact O-CE2 3.29Å; V1217-Y1219 PolarHBondContact O-N 3.03Å; V1217-F1222 HydrophobicContact CG1-CD2 4.02Å; V1217-F1222 HydrophobicContact CG1-CE2 3.92Å
1218	D	63.4	Low	60.5	Low	67.6 Å²	67.6	142.6 Å²	142.6	36%	0.361	69%	0.69	S	S	.	*			trans	-73.2	86.7	175.5	177.6	10.1	0	0	0	110.4	T1216 S1220 K1221	T1216-D1218 PolarHBondContact O-N 3.22Å; D1218-S1220 PolarHBondContact O-N 3.04Å; D1218-S1220 VanDerWaalsContact O-N 3.13Å; D1218-S1220 VanDerWaalsContact OD1-CB 3.24Å; D1218-S1220 WeakPolarHBondContact OD1-CB 3.39Å; D1218-S1220 PolarHBondContact OD1-N 2.96Å; D1218-S1220 PolarHBondContact OD1-OG 3.25Å; D1218-K1221 HydrophobicContact CB-CD 4.18Å; D1218-K1221 HydrophobicContact CB-CG 4.37Å; D1218-K1221 WeakPolarHBondContact O-CB 3.47Å; D1218-K1221 PolarHBondContact O-N 3.19Å; D1218-K1221 WeakPolarHBondContact OD2-CD 3.09Å; D1218-K1221 WeakPolarHBondContact OD2-CE 3.32Å; D1218-K1221 WeakPolarHBondContact OD2-CG 3.39Å; D1218-K1221 IonicContact OD2-NZ 3.1Å; D1218-K1221 PolarHBondContact OD2-NZ 2.88Å
1219	Y	54.7	Low	58.5	Low	176.8 Å²	176.8	143 Å²	143	69%	0.693	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-13.9	177.3	-65.2	-75.2	0	0	0	113.7	V1217 K1221 F1222 R1223	V1217-Y1219 VanDerWaalsContact C-N 3.32Å; V1217-Y1219 HydrophobicContact CB-CD2 4.26Å; V1217-Y1219 HydrophobicContact CB-CE1 4.42Å; V1217-Y1219 HydrophobicContact CB-CE2 4.15Å; V1217-Y1219 HydrophobicContact CG1-CD1 4.16Å; V1217-Y1219 HydrophobicContact CG1-CD2 4.2Å; V1217-Y1219 HydrophobicContact CG1-CE1 3.9Å; V1217-Y1219 HydrophobicContact CG1-CE2 4.27Å; V1217-Y1219 HydrophobicContact CG1-CG 4.37Å; V1217-Y1219 WeakPolarHBondContact O-CD2 3.35Å; V1217-Y1219 WeakPolarHBondContact O-CE2 3.29Å; V1217-Y1219 PolarHBondContact O-N 3.03Å; Y1219-K1221 VanDerWaalsContact C-N 3.31Å; Y1219-K1221 PolarHBondContact O-N 3.02Å; Y1219-K1221 VanDerWaalsContact O-N 3.16Å; Y1219-F1222 CarbonylContact O-C 3.43Å; Y1219-F1222 PolarHBondContact O-N 3.07Å; Y1219-F1222 VanDerWaalsContact O-N 3.16Å; Y1219-R1223 PolarHBondContact O-N 3.32Å
1220	S	65.7	Low	56.6	Low	93.6 Å²	93.6	140.6 Å²	140.6	66%	0.655	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-29.1	173.2	134.1	0	0	0	0	112.4	D1218 F1222 R1223	D1218-S1220 PolarHBondContact O-N 3.04Å; D1218-S1220 VanDerWaalsContact O-N 3.13Å; D1218-S1220 VanDerWaalsContact OD1-CB 3.24Å; D1218-S1220 WeakPolarHBondContact OD1-CB 3.39Å; D1218-S1220 PolarHBondContact OD1-N 2.96Å; D1218-S1220 PolarHBondContact OD1-OG 3.25Å; S1220-F1222 VanDerWaalsContact C-N 3.33Å; S1220-F1222 PolarHBondContact O-N 3.4Å; S1220-R1223 VanDerWaalsContact O-CB 3.27Å; S1220-R1223 WeakPolarHBondContact O-CB 3.2Å; S1220-R1223 PolarHBondContact O-N 2.81Å
1221	K	63.4	Low	54.9	Low	167.4 Å²	167.4	145.6 Å²	145.6	73%	0.728	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-22.5	175	-67	176	-179.7	145.6	0	112.9	D1218 Y1219 R1223	D1218-K1221 HydrophobicContact CB-CD 4.18Å; D1218-K1221 HydrophobicContact CB-CG 4.37Å; D1218-K1221 WeakPolarHBondContact O-CB 3.47Å; D1218-K1221 PolarHBondContact O-N 3.19Å; D1218-K1221 WeakPolarHBondContact OD2-CD 3.09Å; D1218-K1221 WeakPolarHBondContact OD2-CE 3.32Å; D1218-K1221 WeakPolarHBondContact OD2-CG 3.39Å; D1218-K1221 IonicContact OD2-NZ 3.1Å; D1218-K1221 PolarHBondContact OD2-NZ 2.88Å; Y1219-K1221 VanDerWaalsContact C-N 3.31Å; Y1219-K1221 PolarHBondContact O-N 3.02Å; Y1219-K1221 VanDerWaalsContact O-N 3.16Å; K1221-R1223 VanDerWaalsContact C-N 3.31Å; K1221-R1223 PolarHBondContact O-N 3.17Å
1222	F	59.4	Low	53.6	Low	144.8 Å²	144.8	143.8 Å²	143.8	64%	0.635	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	19.1	176.3	-65	-81.1	0	0	0	113.4	V1217 Y1219 S1220 I1224	V1217-F1222 HydrophobicContact CG1-CD2 4.02Å; V1217-F1222 HydrophobicContact CG1-CE2 3.92Å; Y1219-F1222 CarbonylContact O-C 3.43Å; Y1219-F1222 PolarHBondContact O-N 3.07Å; Y1219-F1222 VanDerWaalsContact O-N 3.16Å; S1220-F1222 VanDerWaalsContact C-N 3.33Å; S1220-F1222 PolarHBondContact O-N 3.4Å; F1222-I1224 VanDerWaalsContact C-N 3.28Å; F1222-I1224 PolarHBondContact O-N 3.05Å
1223	R	58	Low	52.3	Low	201 Å²	201	140.7 Å²	140.7	76%	0.758	72%	0.717	S	S	*	*			trans	-72.7	82.7	175.4	-164.3	-178.4	84.5	157.1	3.7	110.9	Y1219 S1220 K1221 R1225	Y1219-R1223 PolarHBondContact O-N 3.32Å; S1220-R1223 VanDerWaalsContact O-CB 3.27Å; S1220-R1223 WeakPolarHBondContact O-CB 3.2Å; S1220-R1223 PolarHBondContact O-N 2.81Å; K1221-R1223 VanDerWaalsContact C-N 3.31Å; K1221-R1223 PolarHBondContact O-N 3.17Å; R1223-R1225 PolarHBondContact O-N 2.97Å
1224	I	58.1	Low	51.1	Low	146.2 Å²	146.2	142.1 Å²	142.1	75%	0.75	72%	0.721	S	S	*	*			trans	-48.7	111.3	174.6	-59.6	175	0	0	0	109.1	F1222 R1226	F1222-I1224 VanDerWaalsContact C-N 3.28Å; F1222-I1224 PolarHBondContact O-N 3.05Å; I1224-R1226 VanDerWaalsContact C-N 3.31Å; I1224-R1226 PolarHBondContact O-N 3.01Å; I1224-R1226 VanDerWaalsContact O-N 3.08Å
1225	R	57	Low	50.1	Low	220.2 Å²	220.2	141.8 Å²	141.8	83%	0.831	73%	0.728	S	S	*	*			trans	-68.3	101	170.7	-82.4	177	162.2	156.1	-7	107.9	R1223 K1227	R1223-R1225 PolarHBondContact O-N 2.97Å; R1225-K1227 VanDerWaalsContact C-N 3.34Å; R1225-K1227 PolarHBondContact O-N 3.02Å; R1225-K1227 VanDerWaalsContact O-N 3.09Å
1226	R	57.2	Low	48.9	Very low	237.2 Å²	237.2	141.5 Å²	141.5	90%	0.895	73%	0.728	S	S	*	*			trans	-59.6	113.1	161	-65	-172.1	-155.7	172.8	1.2	107.4	I1224 A1228	I1224-R1226 VanDerWaalsContact C-N 3.31Å; I1224-R1226 PolarHBondContact O-N 3.01Å; I1224-R1226 VanDerWaalsContact O-N 3.08Å; R1226-A1228 PolarHBondContact O-N 3.05Å; R1226-A1228 VanDerWaalsContact O-N 3.17Å
1227	K	47.7	Very low	47.7	Very low	166.4 Å²	166.4	139.9 Å²	139.9	72%	0.723	72%	0.718	S	S	*	*			trans	-77.5	95.2	173.2	-103.8	-109.5	-169.6	-177.1	0	108.9	R1225 E1229	R1225-K1227 VanDerWaalsContact C-N 3.34Å; R1225-K1227 PolarHBondContact O-N 3.02Å; R1225-K1227 VanDerWaalsContact O-N 3.09Å; K1227-E1229 VanDerWaalsContact CD-CD 3.42Å; K1227-E1229 HydrophobicContact CD-CG 4.24Å; K1227-E1229 VanDerWaalsContact CD-OE1 3.28Å; K1227-E1229 WeakPolarHBondContact CD-OE1 3.45Å; K1227-E1229 VanDerWaalsContact CD-OE2 3.28Å; K1227-E1229 WeakPolarHBondContact CD-OE2 3.31Å; K1227-E1229 WeakPolarHBondContact CE-OE1 3.33Å; K1227-E1229 WeakPolarHBondContact CE-OE2 3.49Å; K1227-E1229 IonicContact NZ-OE1 3.11Å; K1227-E1229 PolarHBondContact NZ-OE1 3.05Å; K1227-E1229 IonicContact NZ-OE2 3.08Å; K1227-E1229 PolarHBondContact NZ-OE2 3.19Å; K1227-E1229 PolarHBondContact O-N 3.02Å; K1227-E1229 VanDerWaalsContact O-N 3.11Å
1228	A	42.9	Very low	46.2	Very low	94.8 Å²	94.8	143.8 Å²	143.8	78%	0.783	73%	0.732	S	S	*	*			trans	-104.3	96	166.7	0	0	0	0	0	108.6	R1226 S1230	R1226-A1228 PolarHBondContact O-N 3.05Å; R1226-A1228 VanDerWaalsContact O-N 3.17Å; A1228-S1230 PolarHBondContact O-N 2.81Å
1229	E	37.2	Very low	44.7	Very low	150 Å²	150	147.1 Å²	147.1	70%	0.701	75%	0.748	S	S	*	*			trans	-112.1	129.8	170.2	-79	165.2	-169.9	0	0	106.8	K1227 N1231	K1227-E1229 VanDerWaalsContact CD-CD 3.42Å; K1227-E1229 HydrophobicContact CD-CG 4.24Å; K1227-E1229 VanDerWaalsContact CD-OE1 3.28Å; K1227-E1229 WeakPolarHBondContact CD-OE1 3.45Å; K1227-E1229 VanDerWaalsContact CD-OE2 3.28Å; K1227-E1229 WeakPolarHBondContact CD-OE2 3.31Å; K1227-E1229 WeakPolarHBondContact CE-OE1 3.33Å; K1227-E1229 WeakPolarHBondContact CE-OE2 3.49Å; K1227-E1229 IonicContact NZ-OE1 3.11Å; K1227-E1229 PolarHBondContact NZ-OE1 3.05Å; K1227-E1229 IonicContact NZ-OE2 3.08Å; K1227-E1229 PolarHBondContact NZ-OE2 3.19Å; K1227-E1229 PolarHBondContact O-N 3.02Å; K1227-E1229 VanDerWaalsContact O-N 3.11Å; E1229-N1231 VanDerWaalsContact C-N 3.3Å; E1229-N1231 PolarHBondContact O-N 3.3Å
1230	S	40.4	Very low	43.7	Very low	108.4 Å²	108.4	145 Å²	145	76%	0.758	75%	0.749	S	S	*	*			trans	-133.1	131.8	139	45.9	0	0	0	0	110.2	A1228 S1232	A1228-S1230 PolarHBondContact O-N 2.81Å; S1230-S1232 PolarHBondContact O-N 3.43Å; S1230-S1232 PolarHBondContact O-OG 2.68Å; S1230-S1232 VanDerWaalsContact O-OG 3.06Å
1231	N	34.5	Very low	42	Very low	158.2 Å²	158.2	147.3 Å²	147.3	85%	0.846	75%	0.754	S	S	*	*			trans	-92	137.6	174.3	-76.6	-26.4	0	0	0	112.9	E1229	E1229-N1231 VanDerWaalsContact C-N 3.3Å; E1229-N1231 PolarHBondContact O-N 3.3Å
1232	S	34.4	Very low	40.6	Very low	105.4 Å²	105.4	144.5 Å²	144.5	74%	0.737	75%	0.753	S	S	*	*			trans	175.9	120.3	169.1	53.5	0	0	0	0	112.8	S1230 S1234	S1230-S1232 PolarHBondContact O-N 3.43Å; S1230-S1232 PolarHBondContact O-OG 2.68Å; S1230-S1232 VanDerWaalsContact O-OG 3.06Å; S1232-S1234 VanDerWaalsContact C-N 3.26Å; S1232-S1234 PolarHBondContact O-N 3.11Å
1233	T	30.9	Very low	39.3	Very low	131 Å²	131	143 Å²	143	80%	0.804	76%	0.756	S	S	*	*			trans	-67.1	117.5	159.3	-52.5	0	0	0	0	111.1	Q1235	T1233-Q1235 PolarHBondContact O-N 3.15Å
1234	S	31.9	Very low	38	Very low	113.8 Å²	113.8	141.5 Å²	141.5	80%	0.796	76%	0.757	S	S	*	*			trans	-147.6	105	143.4	-76	0	0	0	0	111.7	S1232 S1236	S1232-S1234 VanDerWaalsContact C-N 3.26Å; S1232-S1234 PolarHBondContact O-N 3.11Å; S1234-S1236 PolarHBondContact O-N 3Å
1235	Q	34.2	Very low	36.6	Very low	168.8 Å²	168.8	139.6 Å²	139.6	79%	0.789	76%	0.756	S	S	*	*			trans	-65	132.6	157.4	-61.5	-173.9	-17.1	0	0	111	S640 T1233 T1237	S640-Q1235 PolarHBondContact OG-NE2 2.91Å; S640-Q1235 PolarHBondContact OG-OE1 3.35Å; T1233-Q1235 PolarHBondContact O-N 3.15Å; Q1235-T1237 PolarHBondContact O-N 2.81Å
1236	S	32.9	Very low	35.4	Very low	106.4 Å²	106.4	134.7 Å²	134.7	74%	0.744	75%	0.751	S	S	*	*				-107.9	137.9	74.5	175.8	0	0	0	0	111.2	S1234 Q1238	S1234-S1236 PolarHBondContact O-N 3Å; S1236-Q1238 PolarHBondContact O-N 3.22Å; S1236-Q1238 VanDerWaalsContact O-N 3.15Å
1237	T	32.9	Very low	34.2	Very low	110.4 Å²	110.4	129.8 Å²	129.8	68%	0.677	75%	0.747	S	S	*	*			trans	-88.5	138.1	159.8	-27.6	0	0	0	0	111.9	Q1235 I1239	Q1235-T1237 PolarHBondContact O-N 2.81Å; T1237-I1239 PolarHBondContact O-N 3.26Å
1238	Q	33.3	Very low	33.6	Very low	151.4 Å²	151.4	125.1 Å²	125.1	71%	0.707	75%	0.746	S	S	*	*			trans	-33.1	120.4	135	-144.5	-177.7	12.4	0	0	112.1	S1236 N1240	S1236-Q1238 PolarHBondContact O-N 3.22Å; S1236-Q1238 VanDerWaalsContact O-N 3.15Å; Q1238-N1240 PolarHBondContact O-N 2.81Å
1239	I	33	Very low	33.1	Very low	137.2 Å²	137.2	126.1 Å²	126.1	70%	0.704	74%	0.742	S	S	*	*			trans	-152.4	132.7	143.5	-70.4	170.4	0	0	0	112	T1237 N1241	T1237-I1239 PolarHBondContact O-N 3.26Å; I1239-N1241 PolarHBondContact O-N 2.9Å
1240	N	33	Very low	32.8	Very low	132.4 Å²	132.4	123.6 Å²	123.6	71%	0.708	74%	0.741	S	S	*	*			trans	-21	142.6	152.9	-82	-17.8	0	0	0	113.4	Q1238	Q1238-N1240 PolarHBondContact O-N 2.81Å
1241	N	30.5	Very low	32.4	Very low	141.6 Å²	141.6	124.5 Å²	124.5	76%	0.757	74%	0.741	S	S	*	*				108.7	149.4	120.9	-80.3	-19.4	0	0	0	112.5	I1239	I1239-N1241 PolarHBondContact O-N 2.9Å
1242	P	34.1	Very low	32.4	Very low	109.2 Å²	109.2	122.8 Å²	122.8	71%	0.709	74%	0.737	S	S	*	*				-110.6	179	59.3	26.2	-10.5	0	0	0	112.4
1243	T	31.7	Very low	32.2	Very low	112.8 Å²	112.8	122.5 Å²	122.5	69%	0.692	74%	0.735	S	S	*	*				119	113.4	101.2	-45.5	0	0	0	0	112.2
1244	Q	31.2	Very low	32.2	Very low	169.2 Å²	169.2	121.7 Å²	121.7	79%	0.791	73%	0.733	S	S	*	*				110.9	140.7	105.7	-93.6	179.2	32.8	0	0	114.9
1245	C	26.7	Very low	32.3	Very low	105.8 Å²	105.8	122.5 Å²	122.5	72%	0.715	73%	0.734	S	S	*	*			trans	80.2	161.3	141	-72.6	0	0	0	0	116
1246	T	32.9	Very low	32.4	Very low	119.2 Å²	119.2	119.1 Å²	119.1	73%	0.731	73%	0.727	S	S	*	*			cis	-166.6	143.2	8.3	4.3	0	0	0	0	111.5
1247	T	32.8	Very low	32.5	Very low	134.2 Å²	134.2	122.5 Å²	122.5	82%	0.823	73%	0.73	S	S	*	*				43.4	123.8	123.2	-32.8	0	0	0	0	117.8
1248	G	34.5	Very low	32.4	Very low	66.8 Å²	66.8	122.1 Å²	122.1	69%	0.689	73%	0.732	S	S	*	*			trans	144.4	125.6	159.8	0	0	0	0	0	113.7
1249	V	33	Very low	32.7	Very low	116 Å²	116	120.7 Å²	120.7	70%	0.703	74%	0.736	S	S	*	*				65.6	111.2	82.8	-162.2	0	0	0	0	113.6
1250	S	30.7	Very low	32.5	Very low	97 Å²	97	119.7 Å²	119.7	68%	0.678	74%	0.736	S	S	*	*				69.6	135.8	121.9	-54.8	0	0	0	0	114.9
1251	V	31.6	Very low	32.5	Very low	127 Å²	127	120.9 Å²	120.9	77%	0.77	74%	0.741	S	S	*	*			cis	-177.8	166.1	39.7	-102.5	0	0	0	0	113.2
1252	T	33.4	Very low	32.4	Very low	122.2 Å²	122.2	119.6 Å²	119.6	75%	0.75	74%	0.739	S	S	*	*			trans	63.7	125.5	167.9	45.8	0	0	0	0	116.7
1253	S	30.1	Very low	32.1	Very low	100.6 Å²	100.6	119.2 Å²	119.2	70%	0.703	74%	0.739	S	S	*	*				71.2	148.9	79.6	76.6	0	0	0	0	116.2
1254	C	31.7	Very low	32	Very low	113.2 Å²	113.2	119.8 Å²	119.8	77%	0.765	74%	0.742	S	S	*	*			trans	112	133.4	133.1	-53.3	0	0	0	0	115.9
1255	T	34.3	Very low	31.8	Very low	130.6 Å²	130.6	117 Å²	117	80%	0.801	74%	0.74	S	S	*	*				-32.1	166.3	130	52.5	0	0	0	0	112.4
1256	P	36.8	Very low	31.9	Very low	98.4 Å²	98.4	116.4 Å²	116.4	64%	0.639	74%	0.737	S	S	*	*			cis	-135.5	-175.2	24.2	37.2	-16.4	0	0	0	117.1
1257	H	33.5	Very low	31.7	Very low	178 Å²	178	117.8 Å²	117.8	82%	0.824	74%	0.739	S	S	*	*			trans	83.2	143.7	148.9	-63.6	-66.7	0	0	0	117.8
1258	S	30.7	Very low	31.6	Very low	100.6 Å²	100.6	117 Å²	117	70%	0.703	73%	0.734	S	S	*	*			trans	-82	160.8	160.9	-48.7	0	0	0	0	111.6	V1260	S1258-V1260 VanDerWaalsContact C-N 3.33Å; S1258-V1260 PolarHBondContact O-N 3.45Å
1259	P	40.2	Very low	31.6	Very low	121.8 Å²	121.8	119.3 Å²	119.3	79%	0.791	73%	0.734	S	S	*	*				-114.2	147.9	101.2	38	-30.8	0	0	0	114.1	L1261	P1259-L1261 PolarHBondContact O-N 3.09Å
1260	V	28.9	Very low	31.4	Very low	117.4 Å²	117.4	124 Å²	124	71%	0.712	74%	0.74	S	S	*	*				80.3	111.2	118	166.4	0	0	0	0	112.8	S1258 T1262	S1258-V1260 VanDerWaalsContact C-N 3.33Å; S1258-V1260 PolarHBondContact O-N 3.45Å; V1260-T1262 HydrophobicContact CG1-CG2 4.07Å
1261	L	32.6	Very low	31.4	Very low	157.4 Å²	157.4	124.4 Å²	124.4	82%	0.824	74%	0.742	S	S	*	*			trans	-143.9	134.8	142.7	-77.5	175.1	0	0	0	109.9	P1259	P1259-L1261 PolarHBondContact O-N 3.09Å
1262	T	28.5	Very low	31.6	Very low	114 Å²	114	125.7 Å²	125.7	70%	0.699	74%	0.739	S	S	*	*				-40.7	147.7	107.5	48.8	0	0	0	0	112.6	V1260	V1260-T1262 HydrophobicContact CG1-CG2 4.07Å
1263	S	29.2	Very low	31.4	Very low	101.8 Å²	101.8	127.9 Å²	127.9	71%	0.712	75%	0.745	S	S	*	*				-140.3	154.8	70.6	42.3	0	0	0	0	113.4
1264	T	28.3	Very low	31.7	Very low	123.8 Å²	123.8	126.4 Å²	126.4	76%	0.76	75%	0.746	S	S	*	*				54	143	122.5	62.8	0	0	0	0	116.2
1265	C	27.1	Very low	31.7	Very low	111.8 Å²	111.8	127.2 Å²	127.2	76%	0.755	75%	0.747	S	S	*	*			cis	169.6	152.8	45.4	-105.7	0	0	0	0	113.2
1266	S	28.6	Very low	31.7	Very low	93.2 Å²	93.2	128.3 Å²	128.3	65%	0.652	75%	0.746	S	S	*	*			cis	157.2	136	39.3	-65.8	0	0	0	0	112.8
1267	I	28.3	Very low	31.4	Very low	148.4 Å²	148.4	130 Å²	130	76%	0.761	75%	0.75	S	S	*	*				81.4	122	93.2	-68.4	171.7	0	0	0	114.7
1268	T	31.9	Very low	31.4	Very low	116.8 Å²	116.8	128.9 Å²	128.9	72%	0.717	75%	0.747	S	S	*	*				103.2	130.3	118	-78.6	0	0	0	0	112.8
1269	T	33.9	Very low	31.5	Very low	114.8 Å²	114.8	130 Å²	130	70%	0.704	75%	0.745	S	S	*	*			cis	118.2	139.1	47.2	52.6	0	0	0	0	111.9
1270	R	29.7	Very low	31.1	Very low	215 Å²	215	130.7 Å²	130.7	81%	0.811	74%	0.742	S	S	*	*				90.5	127.8	70.7	-145.5	-173.5	179.5	162.3	1.4	114.1	E1272	R1270-E1272 IonicContact CZ-OE1 3.84Å; R1270-E1272 IonicContact NE-OE1 2.7Å; R1270-E1272 PolarHBondContact NE-OE1 2.96Å; R1270-E1272 IonicContact NH2-OE1 2.83Å; R1270-E1272 PolarHBondContact NH2-OE1 3.01Å
1271	C	30.8	Very low	31.1	Very low	106.4 Å²	106.4	130.1 Å²	130.1	72%	0.719	74%	0.743	S	S	*	*			trans	149.4	149.5	154.5	-80.9	0	0	0	0	111.3
1272	E	34.3	Very low	30.9	Very low	153.6 Å²	153.6	126.9 Å²	126.9	72%	0.718	73%	0.734	S	S	*	*			cis	113.3	139.8	39.2	-86.1	167.1	-142.1	0	0	113.3	R1270	R1270-E1272 IonicContact CZ-OE1 3.84Å; R1270-E1272 IonicContact NE-OE1 2.7Å; R1270-E1272 PolarHBondContact NE-OE1 2.96Å; R1270-E1272 IonicContact NH2-OE1 2.83Å; R1270-E1272 PolarHBondContact NH2-OE1 3.01Å
1273	L	30.5	Very low	31.1	Very low	168.2 Å²	168.2	128.9 Å²	128.9	88%	0.881	74%	0.74	S	S	*	*				93.2	126.9	85.8	-154	67.8	0	0	0	113.6	V1275	L1273-V1275 HydrophobicContact CD1-CG2 4.22Å
1274	G	35.2	Very low	31.3	Very low	69.6 Å²	69.6	129.4 Å²	129.4	72%	0.718	74%	0.74	S	S	*	*			trans	178.4	97.5	-171.8	0	0	0	0	0	115.9
1275	V	32.1	Very low	31.3	Very low	130.2 Å²	130.2	129 Å²	129	79%	0.789	74%	0.738	S	S	*	*			trans	25.9	136.9	143.5	-145.3	0	0	0	0	118.1	L1273	L1273-V1275 HydrophobicContact CD1-CG2 4.22Å
1276	I	34.6	Very low	31.2	Very low	152.6 Å²	152.6	128.2 Å²	128.2	78%	0.783	73%	0.733	S	S	*	*			trans	129.9	144.7	135.3	-28.5	176.8	0	0	0	114.8
1277	D	29.7	Very low	31.1	Very low	134.2 Å²	134.2	131.7 Å²	131.7	72%	0.718	74%	0.737	S	S	*	*			trans	-77	156.7	170	-72.2	-60.4	0	0	0	117
1278	M	34.1	Very low	31.1	Very low	154.4 Å²	154.4	130 Å²	130	76%	0.761	73%	0.734	S	S	*	*				-174.4	132	127.1	-127.9	88.2	70.7	0	0	114.8
1279	N	33.3	Very low	30.9	Very low	124.2 Å²	124.2	128.9 Å²	128.9	66%	0.664	73%	0.731	S	S	*	*			trans	39.9	134.6	148.7	-80.9	-22.4	0	0	0	119.6
1280	N	30.6	Very low	30.5	Very low	137.6 Å²	137.6	128.6 Å²	128.6	74%	0.736	73%	0.733	S	S	*	*			trans	83.3	112.5	153.6	-63.2	-21	0	0	0	120.7
1281	S	28.9	Very low	30.5	Very low	104.2 Å²	104.2	123.1 Å²	123.1	73%	0.729	73%	0.734	S	S	*	*			trans	104.2	115.6	144.6	80.2	0	0	0	0	117.4	L1283	S1281-L1283 PolarHBondContact O-N 2.8Å
1282	S	29	Very low	30.4	Very low	89.2 Å²	89.2	121.5 Å²	121.5	62%	0.624	74%	0.735	S	S	*	*			trans	52.9	98.9	135.4	47	0	0	0	0	117.5
1283	L	32.4	Very low	30.1	Very low	157 Å²	157	119.2 Å²	119.2	82%	0.822	74%	0.736	S	S	*	*			trans	64.7	160.8	154.7	-55.1	171.3	0	0	0	112.9	S1281 V1285	S1281-L1283 PolarHBondContact O-N 2.8Å; L1283-V1285 HydrophobicContact CD2-CB 3.61Å; L1283-V1285 HydrophobicContact CD2-CG1 4.01Å; L1283-V1285 HydrophobicContact CD2-CG2 3.58Å
1284	P	33.7	Very low	30.2	Very low	112.2 Å²	112.2	117.4 Å²	117.4	73%	0.729	73%	0.732	S	S	*	*			cis	-121	161.5	-12.5	36.4	-25.1	0	0	0	113.6
1285	V	28	Very low	30	Very low	115.6 Å²	115.6	119.3 Å²	119.3	70%	0.701	73%	0.734	S	S	*	*			trans	175.7	128.6	160.6	167.1	0	0	0	0	112.6	L1283 F1287	L1283-V1285 HydrophobicContact CD2-CB 3.61Å; L1283-V1285 HydrophobicContact CD2-CG1 4.01Å; L1283-V1285 HydrophobicContact CD2-CG2 3.58Å; V1285-F1287 HydrophobicContact CG1-CD2 3.61Å; V1285-F1287 HydrophobicContact CG1-CE2 3.77Å
1286	S	26.1	Very low	30.2	Very low	94.6 Å²	94.6	118.4 Å²	118.4	66%	0.662	73%	0.732	S	S	*	*			trans	-165.2	169.8	168.6	-63.6	0	0	0	0	114.2
1287	F	26.7	Very low	29.9	Very low	166.6 Å²	166.6	118.6 Å²	118.6	73%	0.731	73%	0.733	S	S	*	*			trans	114.8	135.1	161.7	-62.6	-71.6	0	0	0	114.1	V1285	V1285-F1287 HydrophobicContact CG1-CD2 3.61Å; V1285-F1287 HydrophobicContact CG1-CE2 3.77Å
1288	T	26.5	Very low	29.9	Very low	113 Å²	113	119.5 Å²	119.5	69%	0.693	74%	0.737	S	S	*	*			cis	114.5	133.8	7.9	46.4	0	0	0	0	114.7
1289	S	27.9	Very low	29.8	Very low	94.2 Å²	94.2	117.2 Å²	117.2	66%	0.659	74%	0.735	S	S	*	*			trans	96.8	142.4	158.6	68	0	0	0	0	114.4	A1291	S1289-A1291 PolarHBondContact OG-N 3.45Å; S1289-A1291 PolarHBondContact OG-O 2.96Å
1290	S	26.3	Very low	29.5	Very low	108.6 Å²	108.6	118.4 Å²	118.4	76%	0.759	74%	0.742	S	S	*	*			cis	147.4	149.7	31.9	61	0	0	0	0	114.2
1291	A	29.6	Very low	29.4	Very low	98.8 Å²	98.8	117.3 Å²	117.3	82%	0.817	75%	0.745	S	S	*	*			trans	123	152.7	156.2	0	0	0	0	0	114.7	S1289	S1289-A1291 PolarHBondContact OG-N 3.45Å; S1289-A1291 PolarHBondContact OG-O 2.96Å
1292	G	29.1	Very low	29.5	Very low	72 Å²	72	118.4 Å²	118.4	74%	0.742	75%	0.748	S	S	*	*			trans	113.6	130.1	-163.5	0	0	0	0	0	112.2
1293	S	27.9	Very low	29.5	Very low	106.4 Å²	106.4	120.6 Å²	120.6	74%	0.744	75%	0.751	S	S	*	*			cis	92	121.1	27	178	0	0	0	0	113.6
1294	T	33.3	Very low	29.5	Very low	129.6 Å²	129.6	119.6 Å²	119.6	80%	0.795	75%	0.746	S	S	*	*			trans	100.6	122.1	152.9	53.4	0	0	0	0	113.9
1295	S	29.3	Very low	29.4	Very low	109.2 Å²	109.2	121.3 Å²	121.3	76%	0.764	75%	0.749	S	S	*	*				70.2	149.2	104.6	-56.3	0	0	0	0	112.3
1296	P	36	Very low	29.6	Very low	113 Å²	113	122.3 Å²	122.3	73%	0.734	75%	0.75	S	S	*	*				-128.5	159.3	97.9	39.3	-25	0	0	0	115.6
1297	I	29.4	Very low	30.2	Very low	156.8 Å²	156.8	123.7 Å²	123.7	80%	0.804	75%	0.754	S	S	*	*			trans	85.5	131.5	142.6	-62.9	172.5	0	0	0	115
1298	L	30.2	Very low	31	Very low	153.2 Å²	153.2	124.2 Å²	124.2	80%	0.802	76%	0.756	S	S	*	*			trans	-140.9	141.8	159.4	-82	133.6	0	0	0	115.2
1299	S	31.1	Very low	31.7	Very low	104.2 Å²	104.2	123.9 Å²	123.9	73%	0.729	76%	0.756	S	S	*	*			trans	115.4	106.5	151.5	-47.4	0	0	0	0	117.2
1300	N	26.3	Very low	32.4	Very low	151.2 Å²	151.2	123.1 Å²	123.1	81%	0.809	76%	0.756	S	S	*	*			trans	23.4	116.1	138.2	-56.4	-17.6	0	0	0	118.2
1301	S	29.8	Very low	33.4	Very low	113.2 Å²	113.2	123.1 Å²	123.1	79%	0.792	75%	0.747	S	S	*	*				-151.6	133.8	118.6	55.7	0	0	0	0	115.9
1302	T	29.9	Very low	34.6	Very low	128.6 Å²	128.6	123 Å²	123	79%	0.789	74%	0.736	S	S	*	*			trans	-112.5	151.8	165.6	-31.6	0	0	0	0	111.4
1303	L	30.6	Very low	35.7	Very low	134.6 Å²	134.6	121.7 Å²	121.7	71%	0.705	72%	0.716	S	S	*	*			trans	-156	134.1	160.8	-73.7	162.6	0	0	0	111.4
1304	L	32.4	Very low	37.1	Very low	136 Å²	136	123 Å²	123	71%	0.712	71%	0.71	S	S	*	*			trans	-93.1	117.9	141.8	-75.6	161.5	0	0	0	114.2	L1306	L1304-L1306 PolarHBondContact O-N 3.04Å
1305	N	30.5	Very low	38.3	Very low	147.6 Å²	147.6	123.3 Å²	123.3	79%	0.789	70%	0.701	S	S	*	*			trans	-80.3	110.5	150.8	-77.1	-31.7	0	0	0	115.6	V1307	N1305-V1307 PolarHBondContact O-N 3.34Å
1306	L	33	Very low	39.8	Very low	136.6 Å²	136.6	121.3 Å²	121.3	72%	0.715	68%	0.683	S	S	*	*			trans	-45.4	127.8	155.9	-100.9	77.5	0	0	0	114.9	L1304 K1308	L1304-L1306 PolarHBondContact O-N 3.04Å; L1306-K1308 PolarHBondContact O-N 3.19Å; L1306-K1308 VanDerWaalsContact O-N 3.14Å
1307	V	38.2	Very low	41	Very low	125.2 Å²	125.2	121.8 Å²	121.8	76%	0.759	67%	0.674	S	S	*	*			trans	-67.2	111.3	164.3	-174.2	0	0	0	0	112	N1305 P1309	N1305-V1307 PolarHBondContact O-N 3.34Å; V1307-P1309 HydrophobicContact CG1-CB 3.93Å; V1307-P1309 HydrophobicContact CG1-CG 4.43Å; V1307-P1309 WeakPolarHBondContact O-CD 3.17Å
1308	K	44.3	Very low	42.5	Very low	175.6 Å²	175.6	118.1 Å²	118.1	76%	0.763	66%	0.662	S	S	*	*			trans	-44.5	129.6	153.9	-154.3	-179	-178.4	-173.7	0	111.5	L1306 A1310	L1306-K1308 PolarHBondContact O-N 3.19Å; L1306-K1308 VanDerWaalsContact O-N 3.14Å; K1308-A1310 PolarHBondContact O-N 2.68Å; K1308-A1310 VanDerWaalsContact O-N 3.09Å
1309	P	41.4	Very low	43.8	Very low	107 Å²	107	116 Å²	116	70%	0.695	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-60.9	142.8	175.4	26.8	-34	0	0	0	110.3	V1307 D1311	V1307-P1309 HydrophobicContact CG1-CB 3.93Å; V1307-P1309 HydrophobicContact CG1-CG 4.43Å; V1307-P1309 WeakPolarHBondContact O-CD 3.17Å; P1309-D1311 PolarHBondContact O-N 2.74Å
1310	A	41.4	Very low	45.1	Very low	78.6 Å²	78.6	117.6 Å²	117.6	65%	0.65	65%	0.649	S	S	*	*			trans	-61.3	131.8	-174.8	0	0	0	0	0	111.4	K1308 T1312	K1308-A1310 PolarHBondContact O-N 2.68Å; K1308-A1310 VanDerWaalsContact O-N 3.09Å; A1310-T1312 HydrophobicContact CB-CG2 4.43Å; A1310-T1312 PolarHBondContact O-N 3.21Å; A1310-T1312 VanDerWaalsContact O-N 3.07Å
1311	D	47.3	Very low	46.1	Very low	107 Å²	107	114.1 Å²	114.1	57%	0.572	64%	0.636	S	S	*	*			trans	-70.8	101.9	178.9	-168.4	-19.3	0	0	0	109.5	P1309 S1313 E1314	P1309-D1311 PolarHBondContact O-N 2.74Å; D1311-S1313 VanDerWaalsContact C-N 3.26Å; D1311-S1313 PolarHBondContact O-N 3.14Å; D1311-S1313 VanDerWaalsContact O-N 3.13Å; D1311-S1313 WeakPolarHBondContact OD1-CA 3.45Å; D1311-S1313 WeakPolarHBondContact OD1-CB 3.28Å; D1311-S1313 PolarHBondContact OD1-N 3.24Å; D1311-S1313 PolarHBondContact OD1-OG 3.16Å; D1311-S1313 VanDerWaalsContact OD1-OG 3.12Å; D1311-S1313 PolarHBondContact OD2-OG 3.42Å; D1311-E1314 PolarHBondContact O-N 3.03Å
1312	T	54.4	Low	46.6	Very low	98.2 Å²	98.2	117.2 Å²	117.2	60%	0.602	64%	0.636	S	S	*	*	H	α-helix	trans	-70.9	-7	179	52.9	0	0	0	0	112.3	A1310 E1314 F1315 V1316	A1310-T1312 HydrophobicContact CB-CG2 4.43Å; A1310-T1312 PolarHBondContact O-N 3.21Å; A1310-T1312 VanDerWaalsContact O-N 3.07Å; T1312-E1314 VanDerWaalsContact C-N 3.29Å; T1312-E1314 PolarHBondContact O-N 3.09Å; T1312-E1314 VanDerWaalsContact O-N 3.16Å; T1312-F1315 CarbonylContact O-C 3.08Å; T1312-F1315 PolarHBondContact O-N 3.12Å; T1312-F1315 VanDerWaalsContact O-N 3.1Å; T1312-V1316 WeakPolarHBondContact O-CB 3.35Å; T1312-V1316 VanDerWaalsContact O-CG2 3.27Å; T1312-V1316 WeakPolarHBondContact O-CG2 3.34Å; T1312-V1316 PolarHBondContact O-N 2.98Å
1313	S	53	Low	47.4	Very low	43.4 Å²	43.4	116.2 Å²	116.2	30%	0.303	63%	0.634	S	S	.	*	H	α-helix	trans	-62.5	-27.4	177.8	80.6	0	0	0	0	113.2	D1311 K1317	D1311-S1313 VanDerWaalsContact C-N 3.26Å; D1311-S1313 PolarHBondContact O-N 3.14Å; D1311-S1313 VanDerWaalsContact O-N 3.13Å; D1311-S1313 WeakPolarHBondContact OD1-CA 3.45Å; D1311-S1313 WeakPolarHBondContact OD1-CB 3.28Å; D1311-S1313 PolarHBondContact OD1-N 3.24Å; D1311-S1313 PolarHBondContact OD1-OG 3.16Å; D1311-S1313 VanDerWaalsContact OD1-OG 3.12Å; D1311-S1313 PolarHBondContact OD2-OG 3.42Å; S1313-K1317 WeakPolarHBondContact O-CA 3.41Å; S1313-K1317 VanDerWaalsContact O-CB 3.23Å; S1313-K1317 WeakPolarHBondContact O-CB 3.42Å; S1313-K1317 WeakPolarHBondContact O-CD 3.42Å; S1313-K1317 WeakPolarHBondContact O-CG 3.32Å; S1313-K1317 PolarHBondContact O-N 3.05Å; S1313-K1317 VanDerWaalsContact O-N 3.16Å; S1313-K1317 PolarHBondContact OG-NZ 2.77Å
1314	E	57.6	Low	48	Very low	134.2 Å²	134.2	118.5 Å²	118.5	63%	0.627	64%	0.639	S	S	*	*	H	α-helix	trans	-78.7	-38.3	176.6	-62.1	-148.2	167.4	0	0	112.4	D1311 T1312 V1316 K1317 S1318	D1311-E1314 PolarHBondContact O-N 3.03Å; T1312-E1314 VanDerWaalsContact C-N 3.29Å; T1312-E1314 PolarHBondContact O-N 3.09Å; T1312-E1314 VanDerWaalsContact O-N 3.16Å; E1314-V1316 VanDerWaalsContact C-N 3.33Å; E1314-K1317 WeakPolarHBondContact O-CB 3.22Å; E1314-K1317 PolarHBondContact O-N 3.32Å; E1314-K1317 WeakPolarHBondContact OE1-CD 3.27Å; E1314-K1317 WeakPolarHBondContact OE1-CE 3.26Å; E1314-K1317 IonicContact OE1-NZ 3.83Å; E1314-K1317 PolarHBondContact OE1-NZ 3.16Å; E1314-K1317 WeakPolarHBondContact OE2-CD 3.49Å; E1314-K1317 IonicContact OE2-NZ 2.84Å; E1314-K1317 PolarHBondContact OE2-NZ 3.1Å; E1314-S1318 WeakPolarHBondContact O-CB 3.23Å; E1314-S1318 PolarHBondContact O-N 3Å; E1314-S1318 PolarHBondContact O-OG 2.86Å
1315	F	57.3	Low	48.5	Very low	136 Å²	136	118.1 Å²	118.1	60%	0.596	64%	0.644	S	S	*	*	H	α-helix	trans	-66.9	-40.2	172.6	-174.5	-102.4	0	0	0	111.7	T1312 S1318 M1319	T1312-F1315 CarbonylContact O-C 3.08Å; T1312-F1315 PolarHBondContact O-N 3.12Å; T1312-F1315 VanDerWaalsContact O-N 3.1Å; F1315-S1318 WeakPolarHBondContact CA-OG 3.41Å; F1315-S1318 CarbonylContact O-C 3.24Å; F1315-S1318 WeakPolarHBondContact O-CA 3.44Å; F1315-S1318 WeakPolarHBondContact O-CB 3.47Å; F1315-S1318 PolarHBondContact O-N 2.94Å; F1315-S1318 VanDerWaalsContact O-N 3.12Å; F1315-S1318 PolarHBondContact O-OG 3.33Å; F1315-S1318 VanDerWaalsContact O-OG 3.1Å; F1315-M1319 HydrophobicContact CD1-CE 4.38Å; F1315-M1319 HydrophobicContact CD1-CG 4.47Å; F1315-M1319 HydrophobicContact CE1-CE 3.94Å; F1315-M1319 HydrophobicContact CE1-CG 4.23Å; F1315-M1319 HydrophobicContact CE1-SD 3.92Å; F1315-M1319 HydrophobicContact CZ-CE 4.45Å; F1315-M1319 HydrophobicContact CZ-CG 4.34Å; F1315-M1319 HydrophobicContact CZ-SD 4.09Å; F1315-M1319 WeakPolarHBondContact O-CB 3.04Å; F1315-M1319 WeakPolarHBondContact O-CG 3.21Å; F1315-M1319 PolarHBondContact O-N 3.04Å
1316	V	61.4	Low	48.8	Very low	66.8 Å²	66.8	115.8 Å²	115.8	41%	0.405	64%	0.64	S	S	.	*	H	α-helix	trans	-70.7	-35.9	175.5	174.2	0	0	0	0	111.3	T1312 E1314 S1318 M1319 L1320	T1312-V1316 WeakPolarHBondContact O-CB 3.35Å; T1312-V1316 VanDerWaalsContact O-CG2 3.27Å; T1312-V1316 WeakPolarHBondContact O-CG2 3.34Å; T1312-V1316 PolarHBondContact O-N 2.98Å; E1314-V1316 VanDerWaalsContact C-N 3.33Å; V1316-S1318 VanDerWaalsContact C-N 3.34Å; V1316-S1318 PolarHBondContact O-N 2.82Å; V1316-M1319 PolarHBondContact O-N 3.15Å; V1316-L1320 HydrophobicContact CG1-CD1 3.69Å; V1316-L1320 VanDerWaalsContact CG1-CD1 3.47Å; V1316-L1320 HydrophobicContact CG1-CG 4.13Å; V1316-L1320 WeakPolarHBondContact O-CA 3.43Å; V1316-L1320 VanDerWaalsContact O-CB 3.24Å; V1316-L1320 WeakPolarHBondContact O-CB 3.28Å; V1316-L1320 VanDerWaalsContact O-CG 3.25Å; V1316-L1320 WeakPolarHBondContact O-CG 3.37Å; V1316-L1320 PolarHBondContact O-N 3.13Å; V1316-L1320 VanDerWaalsContact O-N 3.17Å
1317	K	60.9	Low	48.9	Very low	124.2 Å²	124.2	115 Å²	115	54%	0.54	64%	0.643	S	S	.	*	H	α-helix	trans	-62.1	-43.3	167.4	-79.4	165.1	-174.7	160	0	111.2	S1313 E1314 M1319 L1320 S1321	S1313-K1317 WeakPolarHBondContact O-CA 3.41Å; S1313-K1317 VanDerWaalsContact O-CB 3.23Å; S1313-K1317 WeakPolarHBondContact O-CB 3.42Å; S1313-K1317 WeakPolarHBondContact O-CD 3.42Å; S1313-K1317 WeakPolarHBondContact O-CG 3.32Å; S1313-K1317 PolarHBondContact O-N 3.05Å; S1313-K1317 VanDerWaalsContact O-N 3.16Å; S1313-K1317 PolarHBondContact OG-NZ 2.77Å; E1314-K1317 WeakPolarHBondContact O-CB 3.22Å; E1314-K1317 PolarHBondContact O-N 3.32Å; E1314-K1317 WeakPolarHBondContact OE1-CD 3.27Å; E1314-K1317 WeakPolarHBondContact OE1-CE 3.26Å; E1314-K1317 IonicContact OE1-NZ 3.83Å; E1314-K1317 PolarHBondContact OE1-NZ 3.16Å; E1314-K1317 WeakPolarHBondContact OE2-CD 3.49Å; E1314-K1317 IonicContact OE2-NZ 2.84Å; E1314-K1317 PolarHBondContact OE2-NZ 3.1Å; K1317-M1319 VanDerWaalsContact C-N 3.32Å; K1317-M1319 PolarHBondContact O-N 3.11Å; K1317-L1320 CarbonylContact O-C 3.5Å; K1317-L1320 PolarHBondContact O-N 2.99Å; K1317-S1321 VanDerWaalsContact O-CA 3.31Å; K1317-S1321 WeakPolarHBondContact O-CA 3.34Å; K1317-S1321 VanDerWaalsContact O-CB 3.29Å; K1317-S1321 WeakPolarHBondContact O-CB 3.29Å; K1317-S1321 PolarHBondContact O-N 3.16Å; K1317-S1321 VanDerWaalsContact O-N 3.1Å; K1317-S1321 PolarHBondContact O-OG 3.09Å; K1317-S1321 VanDerWaalsContact O-OG 3.13Å
1318	S	60.6	Low	48.7	Very low	78 Å²	78	114.6 Å²	114.6	55%	0.545	65%	0.645	S	S	.	*	H	α-helix	trans	-65.9	-32.7	179.1	104.9	0	0	0	0	113	E1314 F1315 V1316 L1320 S1321 F1322	E1314-S1318 WeakPolarHBondContact O-CB 3.23Å; E1314-S1318 PolarHBondContact O-N 3Å; E1314-S1318 PolarHBondContact O-OG 2.86Å; F1315-S1318 WeakPolarHBondContact CA-OG 3.41Å; F1315-S1318 CarbonylContact O-C 3.24Å; F1315-S1318 WeakPolarHBondContact O-CA 3.44Å; F1315-S1318 WeakPolarHBondContact O-CB 3.47Å; F1315-S1318 PolarHBondContact O-N 2.94Å; F1315-S1318 VanDerWaalsContact O-N 3.12Å; F1315-S1318 PolarHBondContact O-OG 3.33Å; F1315-S1318 VanDerWaalsContact O-OG 3.1Å; V1316-S1318 VanDerWaalsContact C-N 3.34Å; V1316-S1318 PolarHBondContact O-N 2.82Å; S1318-L1320 VanDerWaalsContact C-N 3.31Å; S1318-L1320 PolarHBondContact O-N 2.95Å; S1318-S1321 PolarHBondContact O-N 3.47Å; S1318-S1321 VanDerWaalsContact O-N 3.15Å; S1318-S1321 PolarHBondContact O-OG 3.06Å; S1318-F1322 WeakPolarHBondContact O-CD2 3.24Å
1319	M	57.8	Low	48.2	Very low	110.2 Å²	110.2	112.3 Å²	112.3	54%	0.543	65%	0.646	S	S	.	*	H	α-helix	trans	-80.8	-28	173.7	-69.6	-148.2	-39	0	0	114.2	F1315 V1316 K1317 S1321 F1322	F1315-M1319 HydrophobicContact CD1-CE 4.38Å; F1315-M1319 HydrophobicContact CD1-CG 4.47Å; F1315-M1319 HydrophobicContact CE1-CE 3.94Å; F1315-M1319 HydrophobicContact CE1-CG 4.23Å; F1315-M1319 HydrophobicContact CE1-SD 3.92Å; F1315-M1319 HydrophobicContact CZ-CE 4.45Å; F1315-M1319 HydrophobicContact CZ-CG 4.34Å; F1315-M1319 HydrophobicContact CZ-SD 4.09Å; F1315-M1319 WeakPolarHBondContact O-CB 3.04Å; F1315-M1319 WeakPolarHBondContact O-CG 3.21Å; F1315-M1319 PolarHBondContact O-N 3.04Å; V1316-M1319 PolarHBondContact O-N 3.15Å; K1317-M1319 VanDerWaalsContact C-N 3.32Å; K1317-M1319 PolarHBondContact O-N 3.11Å; M1319-S1321 VanDerWaalsContact C-N 3.3Å; M1319-S1321 PolarHBondContact O-N 3.15Å; M1319-F1322 VanDerWaalsContact O-CD2 3.25Å; M1319-F1322 WeakPolarHBondContact O-CD2 3.34Å; M1319-F1322 VanDerWaalsContact O-CE2 3.24Å; M1319-F1322 WeakPolarHBondContact O-CE2 3.32Å
1320	L	58.6	Low	47.8	Very low	136.6 Å²	136.6	112.6 Å²	112.6	72%	0.715	65%	0.648	S	S	*	*	H	α-helix	trans	-93.1	-12.6	178.8	-65	179.1	0	0	0	113.6	V1316 K1317 S1318 F1322	V1316-L1320 HydrophobicContact CG1-CD1 3.69Å; V1316-L1320 VanDerWaalsContact CG1-CD1 3.47Å; V1316-L1320 HydrophobicContact CG1-CG 4.13Å; V1316-L1320 WeakPolarHBondContact O-CA 3.43Å; V1316-L1320 VanDerWaalsContact O-CB 3.24Å; V1316-L1320 WeakPolarHBondContact O-CB 3.28Å; V1316-L1320 VanDerWaalsContact O-CG 3.25Å; V1316-L1320 WeakPolarHBondContact O-CG 3.37Å; V1316-L1320 PolarHBondContact O-N 3.13Å; V1316-L1320 VanDerWaalsContact O-N 3.17Å; K1317-L1320 CarbonylContact O-C 3.5Å; K1317-L1320 PolarHBondContact O-N 2.99Å; S1318-L1320 VanDerWaalsContact C-N 3.31Å; S1318-L1320 PolarHBondContact O-N 2.95Å; L1320-F1322 VanDerWaalsContact C-N 3.27Å; L1320-F1322 PolarHBondContact O-N 3Å
1321	S	48.1	Very low	47.4	Very low	78.2 Å²	78.2	114.6 Å²	114.6	55%	0.547	66%	0.656	S	S	.	*			trans	-81.2	32.8	174.1	-47.2	0	0	0	0	112.9	K1317 S1318 M1319 S1323	K1317-S1321 VanDerWaalsContact O-CA 3.31Å; K1317-S1321 WeakPolarHBondContact O-CA 3.34Å; K1317-S1321 VanDerWaalsContact O-CB 3.29Å; K1317-S1321 WeakPolarHBondContact O-CB 3.29Å; K1317-S1321 PolarHBondContact O-N 3.16Å; K1317-S1321 VanDerWaalsContact O-N 3.1Å; K1317-S1321 PolarHBondContact O-OG 3.09Å; K1317-S1321 VanDerWaalsContact O-OG 3.13Å; S1318-S1321 PolarHBondContact O-N 3.47Å; S1318-S1321 VanDerWaalsContact O-N 3.15Å; S1318-S1321 PolarHBondContact O-OG 3.06Å; M1319-S1321 VanDerWaalsContact C-N 3.3Å; M1319-S1321 PolarHBondContact O-N 3.15Å; S1321-S1323 PolarHBondContact O-N 2.98Å
1322	F	40.4	Very low	46.5	Very low	178.8 Å²	178.8	117.1 Å²	117.1	78%	0.784	67%	0.669	S	S	*	*			trans	-76.4	61.1	164	-77.6	-78.1	0	0	0	111.1	S1318 M1319 L1320 K1324	S1318-F1322 WeakPolarHBondContact O-CD2 3.24Å; M1319-F1322 VanDerWaalsContact O-CD2 3.25Å; M1319-F1322 WeakPolarHBondContact O-CD2 3.34Å; M1319-F1322 VanDerWaalsContact O-CE2 3.24Å; M1319-F1322 WeakPolarHBondContact O-CE2 3.32Å; L1320-F1322 VanDerWaalsContact C-N 3.27Å; L1320-F1322 PolarHBondContact O-N 3Å; F1322-K1324 PolarHBondContact O-N 3.16Å
1323	S	46.1	Very low	45.4	Very low	107.2 Å²	107.2	116.9 Å²	116.9	75%	0.75	68%	0.678	S	S	*	*			trans	-97.3	93.1	167.9	-69.6	0	0	0	0	110.9	S1321 P1325	S1321-S1323 PolarHBondContact O-N 2.98Å; S1323-P1325 VanDerWaalsContact O-CD 3.26Å; S1323-P1325 WeakPolarHBondContact O-CD 3.46Å
1324	K	43	Very low	44.4	Very low	183.4 Å²	183.4	119.7 Å²	119.7	80%	0.797	70%	0.697	S	S	*	*			trans	-56.9	123.6	171.3	-62.9	175.8	-179	177.1	0	112.4	F1322 S1326	F1322-K1324 PolarHBondContact O-N 3.16Å; K1324-S1326 VanDerWaalsContact C-N 3.31Å; K1324-S1326 PolarHBondContact O-N 3.12Å; K1324-S1326 PolarHBondContact O-OG 3.24Å
1325	P	43	Very low	43.2	Very low	126.4 Å²	126.4	120.4 Å²	120.4	82%	0.821	71%	0.705	S	S	*	*			trans	-70.5	114.7	147	21.6	-17.4	0	0	0	108.1	S1323	S1323-P1325 VanDerWaalsContact O-CD 3.26Å; S1323-P1325 WeakPolarHBondContact O-CD 3.46Å
1326	S	36.2	Very low	42	Very low	100.4 Å²	100.4	121.1 Å²	121.1	70%	0.702	72%	0.715	S	S	*	*			trans	-70.7	128.8	161.4	-61.3	0	0	0	0	110.2	K1324 S1328	K1324-S1326 VanDerWaalsContact C-N 3.31Å; K1324-S1326 PolarHBondContact O-N 3.12Å; K1324-S1326 PolarHBondContact O-OG 3.24Å; S1326-S1328 PolarHBondContact O-N 2.84Å
1327	P	35.4	Very low	40.5	Very low	120.2 Å²	120.2	125.5 Å²	125.5	78%	0.781	73%	0.733	S	S	*	*			trans	-81.6	144.2	-174.7	31.7	-32.1	0	0	0	110.4	T1329	P1327-T1329 PolarHBondContact O-N 3.18Å; P1327-T1329 VanDerWaalsContact O-N 3.08Å
1328	S	35	Very low	39.1	Very low	116.6 Å²	116.6	128.1 Å²	128.1	82%	0.815	75%	0.745	S	S	*	*			trans	-101.4	117.1	174.8	53.8	0	0	0	0	111.5	S1326	S1326-S1328 PolarHBondContact O-N 2.84Å
1329	T	33.8	Very low	37.6	Very low	127 Å²	127	129.7 Å²	129.7	78%	0.779	76%	0.756	S	S	*	*			trans	-86	155.1	167.7	33.3	0	0	0	0	110.7	P1327	P1327-T1329 PolarHBondContact O-N 3.18Å; P1327-T1329 VanDerWaalsContact O-N 3.08Å
1330	P	32.6	Very low	36.3	Very low	113.6 Å²	113.6	129.1 Å²	129.1	74%	0.738	76%	0.763	S	S	*	*			trans	-98.9	162.4	174.2	35.3	-30.7	0	0	0	114.1
1331	C	32.2	Very low	35	Very low	120.8 Å²	120.8	130.4 Å²	130.4	82%	0.816	77%	0.765	S	S	*	*			trans	-91.6	116	159.6	-69.7	0	0	0	0	114.9	A1333	C1331-A1333 PolarHBondContact O-N 2.75Å
1332	D	29	Very low	34.2	Very low	158.4 Å²	158.4	133.5 Å²	133.5	85%	0.847	77%	0.774	S	S	*	*			trans	-71.4	122.8	140.6	-72.1	-64.4	0	0	0	111.1
1333	A	32	Very low	33.7	Very low	93.8 Å²	93.8	128.8 Å²	128.8	78%	0.775	77%	0.768	S	S	*	*			trans	-151	92.6	164.6	0	0	0	0	0	111.1	C1331	C1331-A1333 PolarHBondContact O-N 2.75Å
1334	S	31.5	Very low	33	Very low	102.2 Å²	102.2	129.5 Å²	129.5	72%	0.715	77%	0.768	S	S	*	*			trans	10.6	135.6	144.4	63.6	0	0	0	0	116.9
1335	N	32.9	Very low	32.5	Very low	149.4 Å²	149.4	126.4 Å²	126.4	80%	0.799	77%	0.765	S	S	*	*			trans	55.7	111	152.8	-57.6	-37.2	0	0	0	116.1
1336	N	30.7	Very low	31.9	Very low	150.8 Å²	150.8	126.5 Å²	126.5	81%	0.806	76%	0.759	S	S	*	*				56.9	123.9	125.2	-139.1	0.8	0	0	0	114.7
1337	M	30.7	Very low	31.7	Very low	158.8 Å²	158.8	131.9 Å²	131.9	78%	0.782	76%	0.763	S	S	*	*			trans	174.8	110.2	140.6	-77.7	-169.1	79.9	0	0	113.5
1338	F	31.4	Very low	31.5	Very low	180 Å²	180	134.3 Å²	134.3	79%	0.789	76%	0.764	S	S	*	*			trans	74	125.6	143.1	-75.9	-80.2	0	0	0	119.3
1339	S	29.5	Very low	31.2	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	76%	0.759	S	S	*	*			trans	79.1	142.1	133.1	-62	0	0	0	0	115.4
1340	S	30.2	Very low	31.1	Very low	98.2 Å²	98.2	135.7 Å²	135.7	69%	0.687	76%	0.76	S	S	*	*			trans	119.7	137.3	130.8	105.7	0	0	0	0	112.8
1341	E	30.3	Very low	31.1	Very low	164.2 Å²	164.2	135.1 Å²	135.1	77%	0.767	76%	0.759	S	S	*	*				88.8	142.6	120.4	-98.2	177.7	133.1	0	0	116.7
1342	I	32.2	Very low	31.1	Very low	142.8 Å²	142.8	136.6 Å²	136.6	73%	0.732	76%	0.757	S	S	*	*			trans	66.8	94.1	140.8	-56.8	168	0	0	0	116.1
1343	A	29.5	Very low	31.3	Very low	81 Å²	81	134.6 Å²	134.6	67%	0.669	75%	0.753	S	S	*	*				78.7	157.5	95.4	0	0	0	0	0	118.2
1344	T	32.2	Very low	31.2	Very low	121.8 Å²	121.8	136.8 Å²	136.8	75%	0.747	75%	0.751	S	S	*	*				110.6	136.8	102.4	31.5	0	0	0	0	117
1345	T	32.3	Very low	31.1	Very low	118.6 Å²	118.6	137 Å²	137	73%	0.728	75%	0.751	S	S	*	*			trans	78.8	151.3	139.8	58.6	0	0	0	0	117.6
1346	N	30.6	Very low	31	Very low	128.4 Å²	128.4	137.1 Å²	137.1	69%	0.687	75%	0.747	S	S	*	*			trans	83.1	138.5	132.7	-93.9	-45.2	0	0	0	119.5
1347	R	31.2	Very low	31	Very low	212.4 Å²	212.4	136.1 Å²	136.1	80%	0.802	74%	0.742	S	S	*	*			trans	96.6	139.2	163.4	-69	170.2	-171.3	-178	-0.1	114.5
1348	H	31.8	Very low	31	Very low	171 Å²	171	132.2 Å²	132.2	79%	0.792	73%	0.73	S	S	*	*				76.2	118.5	122.6	-87.6	-77.1	0	0	0	114.4
1349	T	28.6	Very low	31	Very low	116.8 Å²	116.8	132.3 Å²	132.3	72%	0.717	73%	0.73	S	S	*	*				95.1	138.7	101.7	31.5	0	0	0	0	113.3
1350	I	31.3	Very low	31.1	Very low	156.4 Å²	156.4	131.9 Å²	131.9	80%	0.802	72%	0.723	S	S	*	*				116.9	133.4	129.4	-68.1	160.3	0	0	0	114
1351	S	32.1	Very low	31.2	Very low	101.8 Å²	101.8	132.9 Å²	132.9	71%	0.712	73%	0.725	S	S	*	*			trans	-2.9	132.7	154.5	49.8	0	0	0	0	118.3
1352	I	32.4	Very low	31.2	Very low	152 Å²	152	135.4 Å²	135.4	78%	0.779	73%	0.727	S	S	*	*				-55.6	133.4	129.2	-61.5	167.1	0	0	0	110.2	L1354	I1352-L1354 HydrophobicContact CG2-CB 4.14Å; I1352-L1354 HydrophobicContact CG2-CD1 3.98Å; I1352-L1354 PolarHBondContact O-N 3.44Å; I1352-L1354 VanDerWaalsContact O-N 3.09Å
1353	P	33.1	Very low	31.2	Very low	115.2 Å²	115.2	134.9 Å²	134.9	75%	0.748	73%	0.726	S	S	*	*				-109.4	142.1	114.5	21.7	-6.5	0	0	0	112.4	C1355	P1353-C1355 PolarHBondContact O-N 2.83Å
1354	L	30	Very low	31.4	Very low	140.4 Å²	140.4	136 Å²	136	74%	0.735	73%	0.726	S	S	*	*				-108.8	121.1	98.3	-148.5	79.1	0	0	0	112.3	I1352 Q1356	I1352-L1354 HydrophobicContact CG2-CB 4.14Å; I1352-L1354 HydrophobicContact CG2-CD1 3.98Å; I1352-L1354 PolarHBondContact O-N 3.44Å; I1352-L1354 VanDerWaalsContact O-N 3.09Å; L1354-Q1356 HydrophobicContact CD2-CG 4Å; L1354-Q1356 HydrophobicContact CG-CG 4.07Å
1355	C	29	Very low	31.4	Very low	107.2 Å²	107.2	137.8 Å²	137.8	72%	0.724	73%	0.725	S	S	*	*				-147.9	132.7	120.4	-82.6	0	0	0	0	113.4	P1353	P1353-C1355 PolarHBondContact O-N 2.83Å
1356	Q	32.1	Very low	31.2	Very low	151.6 Å²	151.6	137.2 Å²	137.2	71%	0.708	73%	0.726	S	S	*	*				67.2	137.9	107.8	-63	178	-33.6	0	0	116.2	L1354	L1354-Q1356 HydrophobicContact CD2-CG 4Å; L1354-Q1356 HydrophobicContact CG-CG 4.07Å
1357	N	30	Very low	31	Very low	130.2 Å²	130.2	136.1 Å²	136.1	70%	0.696	73%	0.727	S	S	*	*				154.3	141.6	126.4	-88.4	-21.9	0	0	0	113.6	N759 L760 R761	N759-N1357 PolarHBondContact ND2-O 3.25Å; N759-N1357 VanDerWaalsContact ND2-O 3.08Å; N759-N1357 PolarHBondContact OD1-O 3.07Å; L760-N1357 HydrophobicContact CD1-CB 4Å; R761-N1357 WeakPolarHBondContact CA-OD1 3.37Å; R761-N1357 WeakPolarHBondContact CG-ND2 3.48Å; R761-N1357 PolarHBondContact N-OD1 3.04Å
1358	S	30.7	Very low	31	Very low	76.4 Å²	76.4	132.4 Å²	132.4	53%	0.534	73%	0.728	S	S	.	*				154.8	130.5	52.5	65.2	0	0	0	0	112.7	N759 L760 R761 V1360	N759-S1358 CarbonylContact C-O 3.2Å; N759-S1358 WeakPolarHBondContact CA-O 3.35Å; N759-S1358 VanDerWaalsContact OD1-C 3.28Å; N759-S1358 WeakPolarHBondContact OD1-CA 3.34Å; N759-S1358 PolarHBondContact OD1-N 2.85Å; L760-S1358 CarbonylContact C-O 3.33Å; L760-S1358 WeakPolarHBondContact CA-O 3.46Å; L760-S1358 PolarHBondContact N-O 3.44Å; R761-S1358 PolarHBondContact N-O 3.42Å; R761-S1358 VanDerWaalsContact N-O 3.16Å; S1358-V1360 VanDerWaalsContact O-CG2 3.27Å; S1358-V1360 WeakPolarHBondContact O-CG2 3.24Å; S1358-V1360 PolarHBondContact O-N 2.64Å
1359	F	30.8	Very low	30.8	Very low	181.8 Å²	181.8	129.1 Å²	129.1	80%	0.797	72%	0.724	S	S	*	*				-141.1	119.7	117	-74	-83.8	0	0	0	112	S758 N759 L760	S758-F1359 CarbonylContact C-O 3.47Å; N759-F1359 CarbonylContact C-O 3.44Å; N759-F1359 VanDerWaalsContact CA-O 3.26Å; N759-F1359 WeakPolarHBondContact CA-O 3.41Å; N759-F1359 VanDerWaalsContact N-C 3.31Å; N759-F1359 PolarHBondContact N-O 3.16Å; N759-F1359 VanDerWaalsContact N-O 3.16Å; N759-F1359 PolarHBondContact OD1-N 3.27Å; L760-F1359 PolarHBondContact N-O 3.49Å
1360	V	31.7	Very low	30.8	Very low	101.8 Å²	101.8	128.5 Å²	128.5	62%	0.617	73%	0.725	S	S	*	*				72.4	111.2	101.8	-168.8	0	0	0	0	116	S1358 R1362	S1358-V1360 VanDerWaalsContact O-CG2 3.27Å; S1358-V1360 WeakPolarHBondContact O-CG2 3.24Å; S1358-V1360 PolarHBondContact O-N 2.64Å; V1360-R1362 HydrophobicContact CG1-CG 4.18Å; V1360-R1362 PolarHBondContact O-N 2.91Å
1361	T	32.3	Very low	30.8	Very low	118.4 Å²	118.4	125.8 Å²	125.8	73%	0.726	72%	0.72	S	S	*	*				-154.3	130.3	111.9	-0.6	0	0	0	0	114.1
1362	R	31.2	Very low	30.7	Very low	216.4 Å²	216.4	128.6 Å²	128.6	82%	0.817	73%	0.726	S	S	*	*			trans	62.3	132.8	142.2	-59	-176.3	-173.1	-151.5	1.3	115.2	V1360	V1360-R1362 HydrophobicContact CG1-CG 4.18Å; V1360-R1362 PolarHBondContact O-N 2.91Å
1363	L	31.2	Very low	30.6	Very low	134.2 Å²	134.2	126.1 Å²	126.1	70%	0.703	72%	0.722	S	S	*	*				-107.4	157.7	116.4	-79.9	131	0	0	0	111.8	H1365	L1363-H1365 VanDerWaalsContact C-N 3.28Å; L1363-H1365 PolarHBondContact O-N 3.17Å; L1363-H1365 VanDerWaalsContact O-N 3.14Å
1364	P	35.5	Very low	30.4	Very low	103.4 Å²	103.4	126.9 Å²	126.9	67%	0.671	73%	0.725	S	S	*	*			trans	-113.3	152.9	134.3	37.6	-25.5	0	0	0	114.3
1365	H	31.1	Very low	30.6	Very low	159.2 Å²	159.2	124.3 Å²	124.3	74%	0.737	72%	0.724	S	S	*	*			trans	173.8	134.2	151.6	-73.3	-66	0	0	0	116.3	L1363	L1363-H1365 VanDerWaalsContact C-N 3.28Å; L1363-H1365 PolarHBondContact O-N 3.17Å; L1363-H1365 VanDerWaalsContact O-N 3.14Å
1366	S	27.8	Very low	30.6	Very low	105.6 Å²	105.6	123.7 Å²	123.7	74%	0.738	72%	0.721	S	S	*	*			trans	66.3	152.4	133.5	70.5	0	0	0	0	117.5
1367	C	27.8	Very low	30.6	Very low	106.4 Å²	106.4	125.5 Å²	125.5	72%	0.719	73%	0.727	S	S	*	*				-178.2	137.7	127.9	-53.9	0	0	0	0	114.1
1368	V	29.6	Very low	30.7	Very low	133.4 Å²	133.4	125.7 Å²	125.7	81%	0.808	73%	0.727	S	S	*	*			trans	45.4	118.1	131.7	-115.4	0	0	0	0	119
1369	S	28.8	Very low	30.7	Very low	103.4 Å²	103.4	130 Å²	130	72%	0.723	74%	0.738	S	S	*	*				143.7	153.6	68.2	-84.5	0	0	0	0	113.7
1370	S	28.4	Very low	30.8	Very low	103.6 Å²	103.6	125.8 Å²	125.8	72%	0.724	73%	0.731	S	S	*	*				75.7	157.8	103.5	-40.6	0	0	0	0	115.9
1371	S	30.2	Very low	30.7	Very low	99.4 Å²	99.4	125.8 Å²	125.8	70%	0.695	74%	0.736	S	S	*	*				106.3	141.6	119.8	24.2	0	0	0	0	114.4
1372	L	30.1	Very low	30.7	Very low	159.6 Å²	159.6	124.6 Å²	124.6	84%	0.836	74%	0.738	S	S	*	*				70.2	143.6	69.4	-70.4	113.9	0	0	0	114.1
1373	S	30.8	Very low	30.7	Very low	101 Å²	101	119.3 Å²	119.3	71%	0.706	73%	0.734	S	S	*	*				156.5	149.5	100.3	-89.4	0	0	0	0	116.6
1374	T	30	Very low	30.7	Very low	131 Å²	131	122.2 Å²	122.2	80%	0.804	74%	0.741	S	S	*	*				99.4	148.1	122.1	12.7	0	0	0	0	117.2
1375	A	33	Very low	30.5	Very low	87.2 Å²	87.2	123 Å²	123	72%	0.721	75%	0.748	S	S	*	*				84.7	139.1	127.9	0	0	0	0	0	119.6
1376	S	30	Very low	30.6	Very low	94.2 Å²	94.2	118.7 Å²	118.7	66%	0.659	75%	0.747	S	S	*	*				158.7	153.1	122.8	52.7	0	0	0	0	114.5
1377	F	31.2	Very low	30.9	Very low	188.2 Å²	188.2	123.5 Å²	123.5	83%	0.825	76%	0.755	S	S	*	*				179.1	142.5	126.1	-91.8	-68.1	0	0	0	110.2
1378	I	32	Very low	31.1	Very low	135.8 Å²	135.8	127.6 Å²	127.6	70%	0.696	76%	0.763	S	S	*	*				87.5	136.5	100.7	-80.3	172.7	0	0	0	113.7
1379	Q	32	Very low	31.3	Very low	165 Å²	165	130.8 Å²	130.8	77%	0.771	77%	0.766	S	S	*	*				162.5	156.7	61.1	-124.1	176.1	-77.3	0	0	115.5
1380	S	31.2	Very low	31.4	Very low	94.2 Å²	94.2	131.4 Å²	131.4	66%	0.659	77%	0.771	S	S	*	*			trans	138.5	148.7	141.7	-69.9	0	0	0	0	114.8
1381	S	31	Very low	31.8	Very low	103 Å²	103	131.5 Å²	131.5	72%	0.72	77%	0.769	S	S	*	*			cis	149.2	136.7	27.2	-44	0	0	0	0	113.7
1382	A	31.1	Very low	32	Very low	93.4 Å²	93.4	133.5 Å²	133.5	77%	0.772	77%	0.772	S	S	*	*				60.5	157.8	121.4	0	0	0	0	0	117.2
1383	S	31.6	Very low	32.1	Very low	105 Å²	105	131.3 Å²	131.3	73%	0.734	76%	0.761	S	S	*	*			cis	-172.6	144	13.6	83.8	0	0	0	0	114.1
1384	F	31.1	Very low	32.1	Very low	194 Å²	194	132 Å²	132	85%	0.851	76%	0.756	S	S	*	*			trans	58.6	160.3	156.4	-102.7	-122.5	0	0	0	114.7
1385	C	31.8	Very low	32.2	Very low	119.8 Å²	119.8	135 Å²	135	81%	0.809	75%	0.753	S	S	*	*				110.2	143.4	63	-139.7	0	0	0	0	112.2
1386	G	34.1	Very low	32.2	Very low	69.6 Å²	69.6	137.9 Å²	137.9	72%	0.718	76%	0.755	S	S	*	*			cis	-169.2	167.2	7.6	0	0	0	0	0	115.5
1387	K	33	Very low	32.2	Very low	207.2 Å²	207.2	140.8 Å²	140.8	90%	0.901	76%	0.758	S	S	*	*			trans	-107.3	136.5	177.3	-58.2	176.2	-178	176.8	0	113.6
1388	Q	33	Very low	32.1	Very low	191.6 Å²	191.6	136.7 Å²	136.7	90%	0.895	75%	0.753	S	S	*	*			trans	-156	135.2	136.6	-96.6	-175.4	6.4	0	0	109.7
1389	K	32.3	Very low	32.2	Very low	199.6 Å²	199.6	137 Å²	137	87%	0.868	76%	0.755	S	S	*	*			trans	-28	136.5	130.9	-73.9	-172.4	171.9	-173.9	0	113.1
1390	S	31.2	Very low	32.1	Very low	117 Å²	117	134.4 Å²	134.4	82%	0.818	75%	0.751	S	S	*	*			trans	-163	133.7	135.5	-153.5	0	0	0	0	112.6
1391	P	37.2	Very low	32	Very low	106.6 Å²	106.6	133.8 Å²	133.8	69%	0.692	75%	0.746	S	S	*	*			trans	-106.4	148.4	-178.7	38	-31.2	0	0	0	113.7	N1393	P1391-N1393 PolarHBondContact O-ND2 3.32Å
1392	N	33.4	Very low	32.1	Very low	141.4 Å²	141.4	135.1 Å²	135.1	76%	0.756	75%	0.745	S	S	*	*			trans	-169.3	137.4	148.6	-119.2	-12.5	0	0	0	112.4
1393	N	32.3	Very low	32.3	Very low	111.6 Å²	111.6	135.5 Å²	135.5	60%	0.597	74%	0.737	S	S	*	*				157.6	132.4	55.5	-120.1	-17.6	0	0	0	114.9	P1391	P1391-N1393 PolarHBondContact O-ND2 3.32Å
1394	N	31.7	Very low	32.4	Very low	115.6 Å²	115.6	136.8 Å²	136.8	62%	0.618	73%	0.731	S	S	*	*			trans	69.7	128	146.7	-80.8	-18.6	0	0	0	121.4
1395	R	31.5	Very low	32.6	Very low	195 Å²	195	135.6 Å²	135.6	74%	0.736	73%	0.729	S	S	*	*				113.9	120.2	86.9	-160.9	178.7	-167.7	178.8	5.9	114.9	H1397	R1395-H1397 VanDerWaalsContact CD-NE2 3.3Å; R1395-H1397 WeakPolarHBondContact CD-NE2 3.04Å; R1395-H1397 VanDerWaalsContact CG-CD2 3.43Å; R1395-H1397 WeakPolarHBondContact CG-CD2 3.18Å; R1395-H1397 PolarHBondContact NE-CE1 2.94Å; R1395-H1397 PolarHBondContact NE-NE2 3.02Å; R1395-H1397 PolarHBondContact NH1-NE2 3.3Å
1396	I	32.9	Very low	32.6	Very low	148 Å²	148	133.6 Å²	133.6	76%	0.759	72%	0.716	S	S	*	*				177.8	126.3	124.4	-72.6	170.7	0	0	0	112.2
1397	H	29.9	Very low	32.4	Very low	154.4 Å²	154.4	135 Å²	135	72%	0.715	71%	0.714	S	S	*	*			trans	-102.2	157.9	145.4	-73.1	-87.6	0	0	0	111.3	R1395	R1395-H1397 VanDerWaalsContact CD-NE2 3.3Å; R1395-H1397 WeakPolarHBondContact CD-NE2 3.04Å; R1395-H1397 VanDerWaalsContact CG-CD2 3.43Å; R1395-H1397 WeakPolarHBondContact CG-CD2 3.18Å; R1395-H1397 PolarHBondContact NE-CE1 2.94Å; R1395-H1397 PolarHBondContact NE-NE2 3.02Å; R1395-H1397 PolarHBondContact NH1-NE2 3.3Å
1398	S	30.6	Very low	32.5	Very low	102.8 Å²	102.8	131.7 Å²	131.7	72%	0.719	71%	0.706	S	S	*	*				-154.3	141.5	123.9	50.4	0	0	0	0	110.3
1399	N	32.6	Very low	32.6	Very low	141.6 Å²	141.6	127.6 Å²	127.6	76%	0.757	70%	0.698	S	S	*	*			trans	-116.8	143.5	140.2	-83.3	-14	0	0	0	111.2
1400	V	31.2	Very low	32.7	Very low	111 Å²	111	121.3 Å²	121.3	67%	0.673	69%	0.69	S	S	*	*				84.9	109.2	60	172.6	0	0	0	0	113.9	N1402	V1400-N1402 HydrophobicContact CG1-CB 4.11Å
1401	C	29.1	Very low	33	Very low	82.2 Å²	82.2	120.1 Å²	120.1	56%	0.555	69%	0.687	S	S	*	*			trans	83.5	119	135.3	-77.1	0	0	0	0	111.5	I1075 V1403 P1434	I1075-C1401 HydrophobicContact CB-CB 4.22Å; I1075-C1401 WeakPolarHBondContact CB-SG 3.31Å; I1075-C1401 HydrophobicContact CD1-CB 3.77Å; I1075-C1401 VanDerWaalsContact CD1-N 3.28Å; I1075-C1401 VanDerWaalsContact CD1-SG 3.57Å; I1075-C1401 HydrophobicContact CG1-CB 4.14Å; I1075-C1401 VanDerWaalsContact CG1-N 3.28Å; C1401-V1403 HydrophobicContact CB-CG2 3.78Å; C1401-V1403 WeakPolarHBondContact SG-CG2 3.37Å; C1401-P1434 HydrophobicContact CB-CB 4.12Å; C1401-P1434 HydrophobicContact CB-CG 3.82Å; C1401-P1434 WeakPolarHBondContact SG-CB 3.49Å
1402	N	33.1	Very low	32.9	Very low	130.4 Å²	130.4	123.5 Å²	123.5	70%	0.697	69%	0.694	S	S	*	*				95.4	117.5	67.4	-78.6	1.7	0	0	0	114	V1400 P1434	V1400-N1402 HydrophobicContact CG1-CB 4.11Å; N1402-P1434 HydrophobicContact CB-CB 4.35Å; N1402-P1434 HydrophobicContact CB-CG 4.18Å
1403	V	33.8	Very low	33.3	Very low	101 Å²	101	121 Å²	121	61%	0.612	69%	0.685	S	S	*	*				-144.2	125.9	103.4	177	0	0	0	0	110.1	S1076 P1077 P1078 C1401 V1431 K1433	S1076-V1403 WeakPolarHBondContact O-CG2 3.25Å; P1077-V1403 VanDerWaalsContact CA-CG1 3.47Å; P1078-V1403 HydrophobicContact CG-CG1 4.49Å; C1401-V1403 HydrophobicContact CB-CG2 3.78Å; C1401-V1403 WeakPolarHBondContact SG-CG2 3.37Å; V1403-V1431 WeakPolarHBondContact CG1-O 3.46Å; V1403-K1433 HydrophobicContact CB-CB 4.47Å; V1403-K1433 VanDerWaalsContact CG2-CA 3.4Å; V1403-K1433 HydrophobicContact CG2-CB 3.39Å
1404	E	34.2	Very low	33.6	Very low	131.4 Å²	131.4	121.3 Å²	121.3	61%	0.614	69%	0.691	S	S	*	*			trans	31.8	132.5	150.4	-58.4	-166.5	154.2	0	0	115.1	P1078 S1406 V1431	P1078-E1404 HydrophobicContact CG-CG 4.33Å; E1404-S1406 WeakPolarHBondContact CG-OG 3.44Å; E1404-S1406 VanDerWaalsContact OE1-CB 3.27Å; E1404-S1406 WeakPolarHBondContact OE1-CB 3.5Å; E1404-S1406 PolarHBondContact OE1-OG 2.89Å; E1404-V1431 VanDerWaalsContact CD-O 3.3Å; E1404-V1431 WeakPolarHBondContact OE2-CA 3.35Å; E1404-V1431 WeakPolarHBondContact OE2-CB 3.16Å; E1404-V1431 PolarHBondContact OE2-N 3.45Å
1405	H	34.7	Very low	33.8	Very low	170.8 Å²	170.8	119.2 Å²	119.2	79%	0.791	70%	0.697	S	S	*	*				-113.6	119.2	116.4	-71	-51.3	0	0	0	112.7
1406	S	32.4	Very low	34	Very low	77.2 Å²	77.2	115.9 Å²	115.9	54%	0.54	70%	0.698	S	S	.	*			trans	-101	128	138.1	-63.1	0	0	0	0	113.2	P1078 S1079 S1080 E1404 L1408 S1429	P1078-S1406 PolarHBondContact O-OG 3.47Å; S1079-S1406 PolarHBondContact O-OG 3.47Å; S1080-S1406 VanDerWaalsContact N-CB 3.32Å; S1080-S1406 PolarHBondContact N-OG 2.88Å; S1080-S1406 VanDerWaalsContact N-OG 3.14Å; E1404-S1406 WeakPolarHBondContact CG-OG 3.44Å; E1404-S1406 VanDerWaalsContact OE1-CB 3.27Å; E1404-S1406 WeakPolarHBondContact OE1-CB 3.5Å; E1404-S1406 PolarHBondContact OE1-OG 2.89Å; S1406-L1408 PolarHBondContact O-N 2.79Å; S1406-S1429 PolarHBondContact OG-O 2.94Å
1407	S	30.9	Very low	33.9	Very low	98.6 Å²	98.6	112.9 Å²	112.9	69%	0.69	70%	0.695	S	S	*	*			trans	32.9	139.8	135.7	-59	0	0	0	0	116	M1072 S1080	M1072-S1407 VanDerWaalsContact CE-O 3.31Å; M1072-S1407 WeakPolarHBondContact CE-O 3.43Å; S1080-S1407 PolarHBondContact N-OG 3.41Å; S1080-S1407 WeakPolarHBondContact OG-CB 3.49Å; S1080-S1407 PolarHBondContact OG-OG 3.15Å
1408	L	35.5	Very low	34.1	Very low	138.2 Å²	138.2	111.4 Å²	111.4	72%	0.724	70%	0.697	S	S	*	*				-136.6	152.4	113.3	-80.9	116.8	0	0	0	110.4	M1072 H1074 S1080 P1081 S1406	M1072-L1408 HydrophobicContact CB-CB 3.88Å; M1072-L1408 HydrophobicContact CB-CD1 4.38Å; M1072-L1408 HydrophobicContact CB-CD2 4.24Å; M1072-L1408 HydrophobicContact CB-CG 4.4Å; M1072-L1408 HydrophobicContact CE-CD1 4.09Å; M1072-L1408 HydrophobicContact CG-CB 3.99Å; H1074-L1408 HydrophobicContact CB-CD2 3.94Å; S1080-L1408 WeakPolarHBondContact OG-CD1 3.36Å; P1081-L1408 HydrophobicContact CB-CD1 3.73Å; S1406-L1408 PolarHBondContact O-N 2.79Å
1409	S	34.2	Very low	34.4	Very low	104.8 Å²	104.8	117.5 Å²	117.5	73%	0.733	70%	0.704	S	S	*	*			cis	87.1	134.7	29.3	-165.7	0	0	0	0	113.6	M1072 I1073 H1074	M1072-S1409 CarbonylContact C-O 3.54Å; M1072-S1409 VanDerWaalsContact CA-O 3.29Å; M1072-S1409 WeakPolarHBondContact CA-O 3.4Å; M1072-S1409 WeakPolarHBondContact CB-O 3.31Å; M1072-S1409 WeakPolarHBondContact CG-O 3.29Å; I1073-S1409 PolarHBondContact N-O 3.3Å; I1073-S1409 CarbonylContact O-C 3.55Å; I1073-S1409 VanDerWaalsContact O-CB 3.28Å; I1073-S1409 WeakPolarHBondContact O-CB 3.46Å; I1073-S1409 PolarHBondContact O-OG 3.43Å; H1074-S1409 PolarHBondContact ND1-OG 2.66Å
1410	G	35	Very low	34.6	Very low	67.4 Å²	67.4	119 Å²	119	70%	0.695	71%	0.709	S	S	*	*			trans	145.7	141.1	166.5	0	0	0	0	0	113.1	I1073	I1073-G1410 PolarHBondContact O-N 3.14Å
1411	A	36.2	Very low	34.8	Very low	91.6 Å²	91.6	119 Å²	119	76%	0.757	71%	0.711	S	S	*	*			trans	58.8	122.8	174.3	0	0	0	0	0	116.3	I1073	I1073-A1411 HydrophobicContact CB-CB 4.2Å; I1073-A1411 HydrophobicContact CD1-CB 3.58Å; I1073-A1411 HydrophobicContact CG1-CB 4.49Å; I1073-A1411 HydrophobicContact CG2-CB 4.21Å
1412	Q	35.3	Very low	35	Very low	178.4 Å²	178.4	119.9 Å²	119.9	83%	0.834	72%	0.718	S	S	*	*			trans	26.8	160.8	136.7	-82.9	-148.9	3.4	0	0	115
1413	P	42.4	Very low	35	Very low	88.6 Å²	88.6	119.6 Å²	119.6	58%	0.575	72%	0.72	S	S	*	*			cis	-126	172.3	-11.8	34.9	-15.9	0	0	0	113.8	L1102 G1415	L1102-P1413 VanDerWaalsContact CD1-CD 3.43Å; L1102-P1413 HydrophobicContact CD1-CG 4.06Å; L1102-P1413 HydrophobicContact CG-CG 4.09Å; P1413-G1415 PolarHBondContact O-N 3.1Å
1414	V	38.3	Very low	35.1	Very low	119 Å²	119	123 Å²	123	72%	0.721	73%	0.727	S	S	*	*			trans	9.5	124.9	158.7	179.8	0	0	0	0	114.2	L1102 T1103 V1416	L1102-V1414 HydrophobicContact CD2-CB 4.08Å; L1102-V1414 HydrophobicContact CD2-CG1 3.96Å; L1102-V1414 WeakPolarHBondContact CD2-O 3.17Å; L1102-V1414 HydrophobicContact CG-CB 4.38Å; L1102-V1414 HydrophobicContact CG-CG1 4.33Å; T1103-V1414 HydrophobicContact CG2-CG1 3.96Å; T1103-V1414 WeakPolarHBondContact OG1-CG1 3.48Å; T1103-V1414 WeakPolarHBondContact OG1-CG2 3.3Å; V1414-V1416 HydrophobicContact CG1-CG2 3.72Å
1415	G	35.1	Very low	35.2	Very low	71 Å²	71	122 Å²	122	73%	0.732	73%	0.732	S	S	*	*			trans	119.1	134.6	141.2	0	0	0	0	0	116.2	P1413	P1413-G1415 PolarHBondContact O-N 3.1Å
1416	V	36	Very low	35.1	Very low	126.4 Å²	126.4	122.5 Å²	122.5	77%	0.766	73%	0.732	S	S	*	*				-92.7	133.5	118.2	-167.4	0	0	0	0	113.1	V1101 V1414 T1418	V1101-V1416 HydrophobicContact CG2-CG2 4.14Å; V1414-V1416 HydrophobicContact CG1-CG2 3.72Å; V1416-T1418 HydrophobicContact CG1-CG2 3.57Å
1417	A	30.9	Very low	35.1	Very low	83.6 Å²	83.6	124.3 Å²	124.3	69%	0.691	74%	0.743	S	S	*	*			trans	-7.6	141.2	159.3	0	0	0	0	0	116.3	R1419	A1417-R1419 PolarHBondContact O-N 2.84Å
1418	T	34.5	Very low	35.3	Very low	123.4 Å²	123.4	122.1 Å²	122.1	76%	0.757	74%	0.737	S	S	*	*			trans	32.4	115.4	149.4	44.3	0	0	0	0	118.1	V1416	V1416-T1418 HydrophobicContact CG1-CG2 3.57Å
1419	R	37.5	Very low	35.2	Very low	231 Å²	231	120.3 Å²	120.3	87%	0.872	74%	0.736	S	S	*	*			trans	149.5	123.2	136.5	-87.3	160.8	-177.4	-164.7	-0.1	113.9	A1417	A1417-R1419 PolarHBondContact O-N 2.84Å
1420	M	35.2	Very low	35.2	Very low	173 Å²	173	121.9 Å²	121.9	85%	0.852	74%	0.736	S	S	*	*			trans	-54	148.5	157.6	-70.1	-73	-73.5	0	0	112.9	S1422	M1420-S1422 PolarHBondContact O-N 2.96Å
1421	P	36.1	Very low	35.2	Very low	110.2 Å²	110.2	123.2 Å²	123.2	72%	0.716	73%	0.73	S	S	*	*			trans	-102.6	158.1	164	16.5	-4.3	0	0	0	113.6	V1423	P1421-V1423 PolarHBondContact O-N 2.93Å
1422	S	32.9	Very low	35.3	Very low	101.6 Å²	101.6	125 Å²	125	71%	0.71	73%	0.727	S	S	*	*			trans	-97.4	123.6	169.1	105.7	0	0	0	0	113.6	S1096 L1097 M1420 K1424	S1096-S1422 CarbonylContact C-O 3.59Å; S1096-S1422 WeakPolarHBondContact CA-O 3.13Å; L1097-S1422 PolarHBondContact N-O 2.69Å; M1420-S1422 PolarHBondContact O-N 2.96Å; S1422-K1424 PolarHBondContact O-N 2.91Å
1423	V	34	Very low	35.3	Very low	123.6 Å²	123.6	122.5 Å²	122.5	75%	0.749	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-64.7	132.8	160.5	-177.9	0	0	0	0	111.4	S1096 P1421	S1096-V1423 WeakPolarHBondContact CB-O 3.33Å; P1421-V1423 PolarHBondContact O-N 2.93Å
1424	K	36.1	Very low	35.1	Very low	172.6 Å²	172.6	122.4 Å²	122.4	75%	0.75	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-99.9	155.7	168.2	-70.7	-178.9	179.3	179.8	0	111.2	T1095 S1096 L1097 S1422 F1426	T1095-K1424 HydrophobicContact CG2-CB 3.91Å; T1095-K1424 HydrophobicContact CG2-CD 4.19Å; S1096-K1424 VanDerWaalsContact CB-CA 3.46Å; S1096-K1424 VanDerWaalsContact CB-N 3.33Å; S1096-K1424 WeakPolarHBondContact CB-O 3.05Å; S1096-K1424 PolarHBondContact OG-O 2.8Å; S1096-K1424 VanDerWaalsContact OG-O 3.05Å; L1097-K1424 WeakPolarHBondContact CD1-O 3.2Å; L1097-K1424 WeakPolarHBondContact CG-O 3.45Å; S1422-K1424 PolarHBondContact O-N 2.91Å; K1424-F1426 PolarHBondContact O-N 3.06Å
1425	P	36	Very low	35	Very low	111 Å²	111	123.1 Å²	123.1	72%	0.721	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-90.4	148.7	178.7	33.6	-27.9	0	0	0	112.2	C1427	P1425-C1427 PolarHBondContact O-N 3.48Å
1426	F	32.4	Very low	35.1	Very low	181.4 Å²	181.4	125.5 Å²	125.5	80%	0.796	70%	0.704	S	S	*	*			trans	-122.6	137.6	157.1	-142.6	-95.5	0	0	0	110.1	K1424	K1424-F1426 PolarHBondContact O-N 3.06Å
1427	C	33.3	Very low	35.1	Very low	114 Å²	114	125.4 Å²	125.4	77%	0.77	70%	0.699	S	S	*	*			trans	-83.3	128	170.3	-168.2	0	0	0	0	112.1	P1425	P1425-C1427 PolarHBondContact O-N 3.48Å
1428	G	34.2	Very low	35.2	Very low	53.6 Å²	53.6	128.3 Å²	128.3	55%	0.553	70%	0.702	S	S	*	*			trans	155.5	131.1	145.7	0	0	0	0	0	111.6
1429	S	33.6	Very low	35.2	Very low	101 Å²	101	129 Å²	129	71%	0.706	71%	0.706	S	S	*	*			trans	74.3	131.4	146.3	-15.8	0	0	0	0	114.9	S1406	S1406-S1429 PolarHBondContact OG-O 2.94Å
1430	D	34.5	Very low	35.2	Very low	138.2 Å²	138.2	121.4 Å²	121.4	74%	0.739	70%	0.699	S	S	*	*			cis	-176.6	157.7	20.7	-93.4	-33.1	0	0	0	113
1431	V	35.7	Very low	35.1	Very low	94.4 Å²	94.4	123.2 Å²	123.2	57%	0.572	70%	0.702	S	S	*	*			cis	166.7	142.5	44.7	138.5	0	0	0	0	114.4	V1403 E1404	V1403-V1431 WeakPolarHBondContact CG1-O 3.46Å; E1404-V1431 VanDerWaalsContact CD-O 3.3Å; E1404-V1431 WeakPolarHBondContact OE2-CA 3.35Å; E1404-V1431 WeakPolarHBondContact OE2-CB 3.16Å; E1404-V1431 PolarHBondContact OE2-N 3.45Å
1432	L	36.3	Very low	35	Very low	129.2 Å²	129.2	121.2 Å²	121.2	68%	0.676	70%	0.702	S	S	*	*			trans	78.9	136.4	157.5	-61	173	0	0	0	117.4
1433	K	35.8	Very low	35	Very low	126.2 Å²	126.2	122.8 Å²	122.8	55%	0.549	70%	0.702	S	S	.	*			trans	-131.7	163.6	155.8	-48.9	168.7	-173.3	142.4	0	112.9	V1403 E1435	V1403-K1433 HydrophobicContact CB-CB 4.47Å; V1403-K1433 VanDerWaalsContact CG2-CA 3.4Å; V1403-K1433 HydrophobicContact CG2-CB 3.39Å; K1433-E1435 HydrophobicContact CD-CG 4.47Å; K1433-E1435 VanDerWaalsContact CD-OE2 3.25Å; K1433-E1435 WeakPolarHBondContact CD-OE2 3.2Å; K1433-E1435 WeakPolarHBondContact CE-OE1 3.3Å; K1433-E1435 VanDerWaalsContact CE-OE2 3.24Å; K1433-E1435 WeakPolarHBondContact CE-OE2 3.37Å; K1433-E1435 HydrophobicContact CG-CG 4.14Å; K1433-E1435 IonicContact NZ-OE1 3.53Å; K1433-E1435 PolarHBondContact NZ-OE1 3.46Å; K1433-E1435 IonicContact NZ-OE2 2.66Å; K1433-E1435 PolarHBondContact NZ-OE2 2.81Å
1434	P	38.1	Very low	34.9	Very low	85.2 Å²	85.2	122.7 Å²	122.7	55%	0.553	70%	0.697	S	S	*	*			trans	-94.1	161.2	152.3	16.9	-2.2	0	0	0	115.6	C1401 N1402	C1401-P1434 HydrophobicContact CB-CB 4.12Å; C1401-P1434 HydrophobicContact CB-CG 3.82Å; C1401-P1434 WeakPolarHBondContact SG-CB 3.49Å; N1402-P1434 HydrophobicContact CB-CB 4.35Å; N1402-P1434 HydrophobicContact CB-CG 4.18Å
1435	E	37.9	Very low	34.8	Very low	134.2 Å²	134.2	122.4 Å²	122.4	63%	0.627	70%	0.696	S	S	*	*				-134.5	155.4	104.1	-85	164.1	-173.6	0	0	113.4	K1433	K1433-E1435 HydrophobicContact CD-CG 4.47Å; K1433-E1435 VanDerWaalsContact CD-OE2 3.25Å; K1433-E1435 WeakPolarHBondContact CD-OE2 3.2Å; K1433-E1435 WeakPolarHBondContact CE-OE1 3.3Å; K1433-E1435 VanDerWaalsContact CE-OE2 3.24Å; K1433-E1435 WeakPolarHBondContact CE-OE2 3.37Å; K1433-E1435 HydrophobicContact CG-CG 4.14Å; K1433-E1435 IonicContact NZ-OE1 3.53Å; K1433-E1435 PolarHBondContact NZ-OE1 3.46Å; K1433-E1435 IonicContact NZ-OE2 2.66Å; K1433-E1435 PolarHBondContact NZ-OE2 2.81Å
1436	D	36.6	Very low	34.7	Very low	122.4 Å²	122.4	124.9 Å²	124.9	66%	0.655	70%	0.696	S	S	*	*			trans	-150.8	153.1	144.6	-107.1	-11.6	0	0	0	116.2
1437	N	36.1	Very low	34.7	Very low	122.8 Å²	122.8	122.4 Å²	122.4	66%	0.657	69%	0.691	S	S	*	*				113.9	138.7	114.8	-90.6	-46	0	0	0	120.8
1438	L	33.3	Very low	34.7	Very low	144.8 Å²	144.8	122.1 Å²	122.1	76%	0.758	69%	0.686	S	S	*	*			trans	57.2	126.8	146.6	-83.8	87.2	0	0	0	122.1
1439	V	34.6	Very low	34.6	Very low	138 Å²	138	126.4 Å²	126.4	84%	0.836	70%	0.695	S	S	*	*				71.4	116.3	114.2	178.4	0	0	0	0	116.5	K1441	V1439-K1441 WeakPolarHBondContact CG1-O 3.42Å
1440	G	37.1	Very low	34.8	Very low	71.6 Å²	71.6	129.3 Å²	129.3	74%	0.738	70%	0.695	S	S	*	*			trans	149.3	93.7	159.6	0	0	0	0	0	114.3	G1442	G1440-G1442 PolarHBondContact O-N 3.32Å
1441	K	32.2	Very low	34.7	Very low	211.4 Å²	211.4	130.1 Å²	130.1	92%	0.919	69%	0.694	S	S	*	*			trans	-35.8	145.1	152	-88.6	-171.7	177	-170.8	0	110.8	V1439	V1439-K1441 WeakPolarHBondContact CG1-O 3.42Å
1442	G	34.2	Very low	34.5	Very low	67.6 Å²	67.6	130.1 Å²	130.1	70%	0.697	70%	0.699	S	S	*	*			trans	151.9	76.3	170.4	0	0	0	0	0	113	G1440	G1440-G1442 PolarHBondContact O-N 3.32Å
1443	D	32.3	Very low	34.3	Very low	136.4 Å²	136.4	129.5 Å²	129.5	73%	0.729	70%	0.7	S	S	*	*				24.3	128.3	118.5	-67.4	-61.9	0	0	0	114.6
1444	N	32.6	Very low	34.3	Very low	120.6 Å²	120.6	129.5 Å²	129.5	65%	0.645	71%	0.706	S	S	*	*			trans	108.7	133.4	135.8	-76	-47.7	0	0	0	117.1	F1446	N1444-F1446 HydrophobicContact CB-CE2 4.48Å
1445	K	34.2	Very low	34	Very low	166.6 Å²	166.6	134.2 Å²	134.2	72%	0.724	71%	0.714	S	S	*	*				105.5	139.3	126.4	-72.3	169.4	-174.4	153	0	113.1
1446	F	32.9	Very low	33.7	Very low	163.4 Å²	163.4	132.7 Å²	132.7	72%	0.717	71%	0.714	S	S	*	*			trans	164.9	137.9	145.6	-62.3	-66.8	0	0	0	109.9	N1444 T1448 Y1455 V1456	N1444-F1446 HydrophobicContact CB-CE2 4.48Å; F1446-T1448 WeakPolarHBondContact CB-OG1 3.41Å; F1446-Y1455 VanDerWaalsContact CD1-CA 3.49Å; F1446-Y1455 HydrophobicContact CD1-CD1 4.32Å; F1446-Y1455 HydrophobicContact CD1-CG 4.29Å; F1446-Y1455 AromaticContact CE1-CD1 3.48Å; F1446-Y1455 HydrophobicContact CE1-CD1 3.48Å; F1446-Y1455 VanDerWaalsContact CE1-CD1 3.48Å; F1446-Y1455 AromaticContact CE1-CE1 3.86Å; F1446-Y1455 HydrophobicContact CE1-CE1 3.86Å; F1446-Y1455 AromaticContact CE1-CG 3.85Å; F1446-Y1455 HydrophobicContact CE1-CG 3.85Å; F1446-Y1455 HydrophobicContact CE2-CE1 4.4Å; F1446-Y1455 HydrophobicContact CE2-CE2 4.4Å; F1446-Y1455 AromaticContact CZ-CD1 3.62Å; F1446-Y1455 HydrophobicContact CZ-CD1 3.62Å; F1446-Y1455 HydrophobicContact CZ-CD2 4.33Å; F1446-Y1455 AromaticContact CZ-CE1 3.51Å; F1446-Y1455 HydrophobicContact CZ-CE1 3.51Å; F1446-Y1455 HydrophobicContact CZ-CE2 4.24Å; F1446-Y1455 HydrophobicContact CZ-CG 4.04Å; F1446-Y1455 AromaticContact CZ-CZ 3.83Å; F1446-V1456 WeakPolarHBondContact CD1-O 3.34Å
1447	N	33.3	Very low	33.7	Very low	129.6 Å²	129.6	133.8 Å²	133.8	69%	0.693	72%	0.715	S	S	*	*			cis	168.2	143.2	18.6	-121.7	2.4	0	0	0	112.2	V1456	N1447-V1456 PolarHBondContact ND2-O 2.84Å
1448	T	32.5	Very low	33.6	Very low	107.6 Å²	107.6	135.1 Å²	135.1	66%	0.66	72%	0.715	S	S	*	*			trans	-9.4	135.4	168.3	32.8	0	0	0	0	116.8	F1446 Y1455	F1446-T1448 WeakPolarHBondContact CB-OG1 3.41Å; T1448-Y1455 PolarHBondContact OG1-O 2.77Å
1449	L	33.7	Very low	33.4	Very low	142.2 Å²	142.2	133.7 Å²	133.7	75%	0.745	72%	0.716	S	S	*	*				110.8	122.7	85.7	-128.2	107.1	0	0	0	114.5
1450	K	36.9	Very low	33.1	Very low	163.8 Å²	163.8	133.6 Å²	133.6	71%	0.712	71%	0.706	S	S	*	*			trans	76.8	139.8	143.4	-75.2	-179	158.3	-147.3	0	117.7	S1452	K1450-S1452 PolarHBondContact O-N 2.86Å
1451	E	33.2	Very low	33	Very low	153.8 Å²	153.8	135 Å²	135	72%	0.719	70%	0.702	S	S	*	*				108.4	128	62.7	-162.9	159.2	-133.5	0	0	113.5	I1040	I1040-E1451 WeakPolarHBondContact CG2-O 3.19Å
1452	S	31	Very low	33	Very low	94.4 Å²	94.4	130.1 Å²	130.1	66%	0.66	69%	0.69	S	S	*	*			trans	68.1	136.7	166.6	63.3	0	0	0	0	117.2	T1042 K1450	T1042-S1452 WeakPolarHBondContact O-CA 3.46Å; T1042-S1452 WeakPolarHBondContact O-CB 3.24Å; K1450-S1452 PolarHBondContact O-N 2.86Å
1453	V	32.6	Very low	32.9	Very low	117.8 Å²	117.8	133.3 Å²	133.3	71%	0.714	69%	0.689	S	S	*	*				81	127	101.4	172.8	0	0	0	0	113.5	A1041 T1042 N1043	A1041-V1453 CarbonylContact C-O 3.38Å; A1041-V1453 VanDerWaalsContact C-O 3.24Å; T1042-V1453 CarbonylContact C-O 3.51Å; T1042-V1453 PolarHBondContact N-O 3.4Å; T1042-V1453 PolarHBondContact O-N 2.82Å; N1043-V1453 WeakPolarHBondContact O-CA 3.33Å
1454	D	34.7	Very low	32.9	Very low	125 Å²	125	133.4 Å²	133.4	67%	0.668	69%	0.689	S	S	*	*			trans	153.2	151.4	167.9	-91.3	-31.1	0	0	0	114	N1043 G1044	N1043-D1454 VanDerWaalsContact C-CB 3.49Å; N1043-D1454 VanDerWaalsContact N-CB 3.32Å; N1043-D1454 VanDerWaalsContact N-CG 3.3Å; N1043-D1454 PolarHBondContact N-OD2 2.98Å; G1044-D1454 CarbonylContact O-C 3.53Å; G1044-D1454 WeakPolarHBondContact O-CB 3.25Å; G1044-D1454 PolarHBondContact O-N 2.73Å
1455	Y	31.3	Very low	32.8	Very low	184.4 Å²	184.4	131.8 Å²	131.8	72%	0.723	69%	0.688	S	S	*	*				113.3	147.9	52.9	-123.1	-119.1	0	0	0	114.1	F1446 T1448	F1446-Y1455 VanDerWaalsContact CD1-CA 3.49Å; F1446-Y1455 HydrophobicContact CD1-CD1 4.32Å; F1446-Y1455 HydrophobicContact CD1-CG 4.29Å; F1446-Y1455 AromaticContact CE1-CD1 3.48Å; F1446-Y1455 HydrophobicContact CE1-CD1 3.48Å; F1446-Y1455 VanDerWaalsContact CE1-CD1 3.48Å; F1446-Y1455 AromaticContact CE1-CE1 3.86Å; F1446-Y1455 HydrophobicContact CE1-CE1 3.86Å; F1446-Y1455 AromaticContact CE1-CG 3.85Å; F1446-Y1455 HydrophobicContact CE1-CG 3.85Å; F1446-Y1455 HydrophobicContact CE2-CE1 4.4Å; F1446-Y1455 HydrophobicContact CE2-CE2 4.4Å; F1446-Y1455 AromaticContact CZ-CD1 3.62Å; F1446-Y1455 HydrophobicContact CZ-CD1 3.62Å; F1446-Y1455 HydrophobicContact CZ-CD2 4.33Å; F1446-Y1455 AromaticContact CZ-CE1 3.51Å; F1446-Y1455 HydrophobicContact CZ-CE1 3.51Å; F1446-Y1455 HydrophobicContact CZ-CE2 4.24Å; F1446-Y1455 HydrophobicContact CZ-CG 4.04Å; F1446-Y1455 AromaticContact CZ-CZ 3.83Å; T1448-Y1455 PolarHBondContact OG1-O 2.77Å
1456	V	33	Very low	32.7	Very low	102.2 Å²	102.2	131.6 Å²	131.6	62%	0.619	69%	0.689	S	S	*	*			trans	95.3	145.9	136.6	176	0	0	0	0	115.1	F1446 N1447 K1458	F1446-V1456 WeakPolarHBondContact CD1-O 3.34Å; N1447-V1456 PolarHBondContact ND2-O 2.84Å; V1456-K1458 HydrophobicContact CG1-CG 4.3Å
1457	E	36.4	Very low	32.6	Very low	144.8 Å²	144.8	128.6 Å²	128.6	68%	0.677	69%	0.688	S	S	*	*				-167	141.2	69.3	-161.3	168.9	-176	0	0	116.4
1458	K	32.8	Very low	32.5	Very low	151.6 Å²	151.6	129.3 Å²	129.3	66%	0.659	69%	0.691	S	S	*	*			trans	66.8	137.5	145.5	-73.4	176.2	-170.7	156.3	0	120.7	V1456	V1456-K1458 HydrophobicContact CG1-CG 4.3Å
1459	C	29.7	Very low	32.4	Very low	114.2 Å²	114.2	130.6 Å²	130.6	77%	0.772	69%	0.694	S	S	*	*				74.8	126.5	111.1	-67.2	0	0	0	0	118
1460	E	29.1	Very low	32.4	Very low	136.4 Å²	136.4	130.4 Å²	130.4	64%	0.637	69%	0.693	S	S	*	*			trans	88.4	134.8	155.1	-124.8	-158.7	148.8	0	0	114.3	V1462	E1460-V1462 HydrophobicContact CB-CG2 4.34Å; E1460-V1462 HydrophobicContact CG-CG2 4.24Å; E1460-V1462 WeakPolarHBondContact O-CB 3.28Å; E1460-V1462 WeakPolarHBondContact O-CG2 3.43Å; E1460-V1462 PolarHBondContact O-N 3.15Å; E1460-V1462 PolarHBondContact OE1-N 3.09Å
1461	P	34.4	Very low	32.2	Very low	100.6 Å²	100.6	126.4 Å²	126.4	65%	0.653	69%	0.691	S	S	*	*			trans	-86.5	116.7	144.3	32.3	-25.7	0	0	0	109.8	I1463	P1461-I1463 WeakPolarHBondContact O-CB 3.45Å; P1461-I1463 PolarHBondContact O-N 3.28Å
1462	V	32.5	Very low	32.2	Very low	108.2 Å²	108.2	123.7 Å²	123.7	66%	0.656	69%	0.689	S	S	*	*				-41.4	91	81	-177.6	0	0	0	0	108.5	E1460	E1460-V1462 HydrophobicContact CB-CG2 4.34Å; E1460-V1462 HydrophobicContact CG-CG2 4.24Å; E1460-V1462 WeakPolarHBondContact O-CB 3.28Å; E1460-V1462 WeakPolarHBondContact O-CG2 3.43Å; E1460-V1462 PolarHBondContact O-N 3.15Å; E1460-V1462 PolarHBondContact OE1-N 3.09Å
1463	I	32.3	Very low	32.2	Very low	135.8 Å²	135.8	124.6 Å²	124.6	70%	0.696	69%	0.691	S	S	*	*				81	129.3	104.5	-56.4	160.5	0	0	0	110.4	P1461	P1461-I1463 WeakPolarHBondContact O-CB 3.45Å; P1461-I1463 PolarHBondContact O-N 3.28Å
1464	L	31.7	Very low	32.3	Very low	139.2 Å²	139.2	125.9 Å²	125.9	73%	0.729	69%	0.689	S	S	*	*				110.5	125.1	115.9	-72	173.3	0	0	0	112.5
1465	S	30.2	Very low	32.1	Very low	87.2 Å²	87.2	127.4 Å²	127.4	61%	0.61	69%	0.69	S	S	*	*				155.1	146.1	85.7	-25.1	0	0	0	0	116.5
1466	H	32	Very low	32.1	Very low	161.8 Å²	161.8	124.1 Å²	124.1	75%	0.749	69%	0.685	S	S	*	*			trans	60.5	124.3	130.3	-51.7	-51.8	0	0	0	117.1
1467	S	30.4	Very low	32	Very low	99.4 Å²	99.4	122.8 Å²	122.8	70%	0.695	69%	0.685	S	S	*	*				145.3	141.4	59.8	52.4	0	0	0	0	113
1468	L	31.7	Very low	31.7	Very low	144.8 Å²	144.8	122.5 Å²	122.5	76%	0.758	69%	0.688	S	S	*	*				83.5	144.8	79	-82.7	163.7	0	0	0	114
1469	N	31.8	Very low	31.5	Very low	134.2 Å²	134.2	122.4 Å²	122.4	72%	0.718	69%	0.694	S	S	*	*			trans	-127.8	154.1	146.2	-79.7	-10.8	0	0	0	112.7
1470	N	32.8	Very low	31.6	Very low	138 Å²	138	121.9 Å²	121.9	74%	0.738	69%	0.691	S	S	*	*				124.6	138.3	52	-83.1	-13.7	0	0	0	111.5
1471	A	33.6	Very low	31.8	Very low	80.6 Å²	80.6	119.9 Å²	119.9	67%	0.666	69%	0.693	S	S	*	*				141.4	137.2	85	0	0	0	0	0	111.3
1472	S	31.6	Very low	31.8	Very low	96.8 Å²	96.8	124.9 Å²	124.9	68%	0.677	70%	0.7	S	S	*	*				96.3	140.9	80.3	29.2	0	0	0	0	114.4
1473	T	32.8	Very low	31.8	Very low	114.4 Å²	114.4	124.8 Å²	124.8	70%	0.702	70%	0.7	S	S	*	*				64.2	147.4	121.5	44.6	0	0	0	0	116.7
1474	E	32.7	Very low	31.8	Very low	144 Å²	144	124.8 Å²	124.8	67%	0.673	70%	0.701	S	S	*	*			cis	-166.6	167.8	-18.5	-104.1	165	-139.3	0	0	113.5	N1476	E1474-N1476 HydrophobicContact CG-CB 4.4Å; E1474-N1476 VanDerWaalsContact OE2-CB 3.3Å; E1474-N1476 WeakPolarHBondContact OE2-CB 3.46Å; E1474-N1476 PolarHBondContact OE2-ND2 2.58Å
1475	F	32.5	Very low	31.8	Very low	156.2 Å²	156.2	123 Å²	123	69%	0.685	69%	0.692	S	S	*	*				49.8	150.7	117	-84.9	-72.4	0	0	0	117.6
1476	N	29.3	Very low	32	Very low	116.4 Å²	116.4	123.8 Å²	123.8	62%	0.622	69%	0.689	S	S	*	*				121.2	140.3	105.7	-107.5	-40.8	0	0	0	114.5	E1474 N1478	E1474-N1476 HydrophobicContact CG-CB 4.4Å; E1474-N1476 VanDerWaalsContact OE2-CB 3.3Å; E1474-N1476 WeakPolarHBondContact OE2-CB 3.46Å; E1474-N1476 PolarHBondContact OE2-ND2 2.58Å; N1476-N1478 PolarHBondContact OD1-ND2 3.39Å; N1476-N1478 VanDerWaalsContact OD1-ND2 3.13Å; N1476-N1478 PolarHBondContact OD1-OD1 3.42Å
1477	A	32.6	Very low	32.3	Very low	73.4 Å²	73.4	122 Å²	122	61%	0.607	68%	0.681	S	S	*	*			trans	150.8	130.9	136.5	0	0	0	0	0	112.5
1478	N	29.1	Very low	32.5	Very low	138.4 Å²	138.4	125.2 Å²	125.2	74%	0.74	68%	0.683	S	S	*	*			cis	161.7	156.1	15.8	-91.6	-18.2	0	0	0	110.9	N1476	N1476-N1478 PolarHBondContact OD1-ND2 3.39Å; N1476-N1478 VanDerWaalsContact OD1-ND2 3.13Å; N1476-N1478 PolarHBondContact OD1-OD1 3.42Å
1479	L	29.9	Very low	32.5	Very low	150.6 Å²	150.6	122.5 Å²	122.5	79%	0.788	68%	0.675	S	S	*	*				64.7	141.9	94.7	-130.7	71.5	0	0	0	113.7
1480	S	31.7	Very low	32.7	Very low	103 Å²	103	121.1 Å²	121.1	72%	0.72	67%	0.671	S	S	*	*			trans	75.9	137.8	144.9	-142.7	0	0	0	0	117.2
1481	S	32.5	Very low	32.7	Very low	95.4 Å²	95.4	120.6 Å²	120.6	67%	0.667	67%	0.668	S	S	*	*				-174.6	140.8	90.8	62.6	0	0	0	0	114.8
1482	Y	33.3	Very low	32.7	Very low	205.2 Å²	205.2	122.4 Å²	122.4	81%	0.805	67%	0.671	S	S	*	*				-179	142.3	102	-102.5	-121.7	0	0	0	113.6
1483	V	33.8	Very low	32.8	Very low	106.8 Å²	106.8	122.2 Å²	122.2	65%	0.647	67%	0.67	S	S	*	*				143.3	143.9	79	143.2	0	0	0	0	111.5
1484	N	31.5	Very low	32.9	Very low	134 Å²	134	123 Å²	123	72%	0.717	67%	0.67	S	S	*	*			trans	71.1	153.7	156.5	-97.4	23.8	0	0	0	113.7
1485	D	33.1	Very low	33	Very low	103.2 Å²	103.2	124.7 Å²	124.7	55%	0.552	68%	0.675	S	S	*	*			cis	-143.5	155.4	-8.1	-119.8	-32.6	0	0	0	113.6
1486	N	33.3	Very low	32.9	Very low	102.4 Å²	102.4	124.2 Å²	124.2	55%	0.548	68%	0.684	S	S	.	*			trans	51.6	144.7	134.1	-74.5	-49.6	0	0	0	119.8
1487	Q	38.1	Very low	33.1	Very low	124 Å²	124	121.8 Å²	121.8	58%	0.579	69%	0.687	S	S	*	*			cis	150.1	135.9	41.9	-113.1	126.3	46	0	0	116.6
1488	K	35.6	Very low	33.1	Very low	166.4 Å²	166.4	124.6 Å²	124.6	72%	0.723	70%	0.696	S	S	*	*				64.2	158.5	128.9	-82.8	178.4	-173.3	175	0	117.9
1489	C	31.9	Very low	33.2	Very low	89.2 Å²	89.2	127 Å²	127	60%	0.603	70%	0.702	S	S	*	*				103.5	126.2	57.8	-116	0	0	0	0	112.7	S1516 Q1517	C1489-S1516 VanDerWaalsContact CB-CA 3.48Å; C1489-S1516 WeakPolarHBondContact SG-CB 3.17Å; C1489-S1516 PolarHBondContact SG-OG 3.35Å; C1489-S1516 VanDerWaalsContact SG-OG 3.39Å; C1489-Q1517 HydrophobicContact CB-CB 4.28Å; C1489-Q1517 VanDerWaalsContact N-NE2 3.15Å
1490	V	35.8	Very low	33.3	Very low	105.6 Å²	105.6	123 Å²	123	64%	0.64	70%	0.698	S	S	*	*				81.9	137	78.8	170.2	0	0	0	0	111.9	S1516 Q1517 T1519	V1490-S1516 CarbonylContact O-C 3.12Å; V1490-S1516 WeakPolarHBondContact O-CA 3.4Å; V1490-S1516 PolarHBondContact O-N 2.99Å; V1490-Q1517 HydrophobicContact CB-CB 4.23Å; V1490-Q1517 HydrophobicContact CB-CG 3.92Å; V1490-Q1517 HydrophobicContact CG1-CG 4.23Å; V1490-Q1517 WeakPolarHBondContact O-CA 3.39Å; V1490-Q1517 PolarHBondContact O-N 3.42Å; V1490-T1519 HydrophobicContact CG1-CG2 4.07Å
1491	D	32.8	Very low	33.3	Very low	126 Å²	126	124.5 Å²	124.5	67%	0.674	70%	0.703	S	S	*	*			cis	123.9	149.5	27.4	-91.5	-22.8	0	0	0	112	Q1517 K1518	D1491-Q1517 VanDerWaalsContact CG-N 3.32Å; D1491-Q1517 VanDerWaalsContact OD2-CA 3.27Å; D1491-Q1517 WeakPolarHBondContact OD2-CA 3.34Å; D1491-Q1517 PolarHBondContact OD2-N 2.93Å; D1491-K1518 PolarHBondContact OD1-N 2.87Å; D1491-K1518 PolarHBondContact OD2-N 3.16Å
1492	V	33.6	Very low	33.5	Very low	119 Å²	119	125 Å²	125	72%	0.721	71%	0.706	S	S	*	*			cis	78.4	130.3	46.4	171.6	0	0	0	0	114.8
1493	S	33.2	Very low	33.7	Very low	93.6 Å²	93.6	120.4 Å²	120.4	66%	0.655	70%	0.701	S	S	*	*			trans	158.6	146.2	145.7	-87.4	0	0	0	0	117.3
1494	N	33.5	Very low	33.5	Very low	129.8 Å²	129.8	123.8 Å²	123.8	69%	0.694	71%	0.708	S	S	*	*				93	133.3	113.1	-81.1	-40.5	0	0	0	117.3
1495	K	34.9	Very low	33.6	Very low	179.6 Å²	179.6	125.3 Å²	125.3	78%	0.781	72%	0.715	S	S	*	*				82.7	132	102.5	-78.7	177.5	180	-176.6	0	115.3
1496	V	31.7	Very low	33.4	Very low	146 Å²	146	123.7 Å²	123.7	89%	0.885	72%	0.722	S	S	*	*				86.3	133.6	93.6	169	0	0	0	0	112.1
1497	G	33.4	Very low	33.3	Very low	65.6 Å²	65.6	124 Å²	124	68%	0.676	73%	0.733	S	S	*	*			trans	157.7	131.6	-169.2	0	0	0	0	0	113.7	H1499	G1497-H1499 PolarHBondContact O-N 2.95Å
1498	V	32.9	Very low	33	Very low	132.2 Å²	132.2	122.6 Å²	122.6	80%	0.801	74%	0.737	S	S	*	*			trans	39.6	117.8	130.4	-167	0	0	0	0	114.6
1499	H	31.4	Very low	32.8	Very low	188.4 Å²	188.4	120.6 Å²	120.6	87%	0.872	73%	0.734	S	S	*	*			trans	114.6	126.8	148.7	-92.3	-81.9	0	0	0	117.2	G1497	G1497-H1499 PolarHBondContact O-N 2.95Å
1500	G	31.5	Very low	32.9	Very low	68.6 Å²	68.6	122 Å²	122	71%	0.707	74%	0.735	S	S	*	*			trans	139.2	125.5	157.3	0	0	0	0	0	115.9
1501	V	32.2	Very low	32.7	Very low	133.8 Å²	133.8	125.9 Å²	125.9	81%	0.811	74%	0.744	S	S	*	*			trans	-93.5	141.2	176.7	-168	0	0	0	0	112.8	P1503	V1501-P1503 WeakPolarHBondContact O-CA 3.18Å
1502	S	35.8	Very low	32.6	Very low	104.6 Å²	104.6	125.1 Å²	125.1	73%	0.731	75%	0.748	S	S	*	*			trans	61.8	132	158.3	-139.6	0	0	0	0	116.1
1503	P	37.6	Very low	32.5	Very low	109.4 Å²	109.4	123.2 Å²	123.2	71%	0.71	75%	0.746	S	S	*	*			trans	-124.6	154.3	152.1	32.6	-16.1	0	0	0	114	V1501	V1501-P1503 WeakPolarHBondContact O-CA 3.18Å
1504	F	30.1	Very low	32.6	Very low	178 Å²	178	128 Å²	128	78%	0.781	76%	0.755	S	S	*	*				52.3	139.2	111.4	-93.2	-104.3	0	0	0	118.2
1505	L	32.7	Very low	32.7	Very low	165.6 Å²	165.6	127.6 Å²	127.6	87%	0.867	76%	0.757	S	S	*	*			trans	-106.6	128.4	162.8	-107.4	69.3	0	0	0	112.4
1506	G	29.8	Very low	32.6	Very low	69 Å²	69	123.3 Å²	123.3	71%	0.711	75%	0.75	S	S	*	*			trans	157.3	118.7	167.3	0	0	0	0	0	113.6
1507	S	30.2	Very low	32.8	Very low	110.6 Å²	110.6	123.1 Å²	123.1	77%	0.773	74%	0.739	S	S	*	*				81.5	137.4	84.9	-143	0	0	0	0	114.4
1508	S	31.7	Very low	32.8	Very low	94.6 Å²	94.6	128.1 Å²	128.1	66%	0.662	74%	0.742	S	S	*	*				82.5	128.5	100.8	65.4	0	0	0	0	115.6
1509	N	32.2	Very low	32.8	Very low	123.6 Å²	123.6	127.3 Å²	127.3	66%	0.661	74%	0.738	S	S	*	*				160.3	139.9	75.5	-94.1	23.1	0	0	0	115	N999 H1000	N999-N1509 PolarHBondContact O-ND2 3.1Å; H1000-N1509 HydrophobicContact CB-CB 4.41Å
1510	D	33.4	Very low	33.1	Very low	117.8 Å²	117.8	123.6 Å²	123.6	63%	0.63	73%	0.73	S	S	*	*			trans	87.9	121.3	134.7	-79.8	-13.4	0	0	0	121.1	H1000 L1001	H1000-D1510 HydrophobicContact CB-CB 3.78Å; H1000-D1510 IonicContact CE1-OD2 3.61Å; H1000-D1510 IonicContact CG-OD2 3.39Å; H1000-D1510 IonicContact ND1-OD2 2.71Å; H1000-D1510 PolarHBondContact ND1-OD2 3.33Å; L1001-D1510 WeakPolarHBondContact CB-OD1 3.5Å
1511	F	32	Very low	33.1	Very low	187.8 Å²	187.8	125.9 Å²	125.9	82%	0.824	73%	0.731	S	S	*	*			trans	64.8	125.4	152.8	-75.7	-87.4	0	0	0	121.6	H1000	H1000-F1511 AromaticContact CE1-CD2 3.97Å; H1000-F1511 AromaticContact CE1-CE2 3.66Å
1512	S	30.7	Very low	33	Very low	109 Å²	109	129.2 Å²	129.2	76%	0.762	73%	0.73	S	S	*	*			trans	93.8	93.9	132.1	-163	0	0	0	0	118.2
1513	A	32.3	Very low	32.9	Very low	80.6 Å²	80.6	132.6 Å²	132.6	67%	0.666	74%	0.735	S	S	*	*				81.4	139	95.3	0	0	0	0	0	119.6
1514	K	35.4	Very low	32.4	Very low	192.8 Å²	192.8	133 Å²	133	84%	0.838	74%	0.735	S	S	*	*			trans	69.9	133.1	156.8	-62.2	175.8	-177.9	175.5	0	117.3
1515	T	33.9	Very low	32.5	Very low	122 Å²	122	131.7 Å²	131.7	75%	0.748	74%	0.735	S	S	*	*			cis	143.6	136.6	12.2	37.5	0	0	0	0	110.3
1516	S	33.4	Very low	32.4	Very low	89 Å²	89	128.5 Å²	128.5	62%	0.622	73%	0.726	S	S	*	*				103.8	140.8	99.3	111.3	0	0	0	0	115.4	C1489 V1490	C1489-S1516 VanDerWaalsContact CB-CA 3.48Å; C1489-S1516 WeakPolarHBondContact SG-CB 3.17Å; C1489-S1516 PolarHBondContact SG-OG 3.35Å; C1489-S1516 VanDerWaalsContact SG-OG 3.39Å; V1490-S1516 CarbonylContact O-C 3.12Å; V1490-S1516 WeakPolarHBondContact O-CA 3.4Å; V1490-S1516 PolarHBondContact O-N 2.99Å
1517	Q	35.2	Very low	32.4	Very low	142.2 Å²	142.2	130.9 Å²	130.9	66%	0.664	73%	0.73	S	S	*	*				96.6	132.1	108.9	-80.8	175.1	46.4	0	0	116.8	C1489 V1490 D1491	C1489-Q1517 HydrophobicContact CB-CB 4.28Å; C1489-Q1517 VanDerWaalsContact N-NE2 3.15Å; V1490-Q1517 HydrophobicContact CB-CB 4.23Å; V1490-Q1517 HydrophobicContact CB-CG 3.92Å; V1490-Q1517 HydrophobicContact CG1-CG 4.23Å; V1490-Q1517 WeakPolarHBondContact O-CA 3.39Å; V1490-Q1517 PolarHBondContact O-N 3.42Å; D1491-Q1517 VanDerWaalsContact CG-N 3.32Å; D1491-Q1517 VanDerWaalsContact OD2-CA 3.27Å; D1491-Q1517 WeakPolarHBondContact OD2-CA 3.34Å; D1491-Q1517 PolarHBondContact OD2-N 2.93Å
1518	K	34.7	Very low	32.5	Very low	171.4 Å²	171.4	133.1 Å²	133.1	75%	0.745	73%	0.729	S	S	*	*			cis	178.6	139.6	48.5	-130	169.7	-171.1	169.9	0	114.7	D1491	D1491-K1518 PolarHBondContact OD1-N 2.87Å; D1491-K1518 PolarHBondContact OD2-N 3.16Å
1519	T	32.5	Very low	32.5	Very low	114.4 Å²	114.4	137.1 Å²	137.1	70%	0.702	73%	0.734	S	S	*	*			trans	-13.3	166.1	151.3	36.2	0	0	0	0	116.9	V1490	V1490-T1519 HydrophobicContact CG1-CG2 4.07Å
1520	P	37.6	Very low	32.5	Very low	110.6 Å²	110.6	136.4 Å²	136.4	72%	0.718	74%	0.739	S	S	*	*			cis	-120.8	-177.3	-43.1	35.4	-18.7	0	0	0	113.7
1521	T	32.5	Very low	32.4	Very low	116.2 Å²	116.2	135.6 Å²	135.6	71%	0.713	74%	0.742	S	S	*	*				175.3	142.6	128.1	-60.8	0	0	0	0	112.5
1522	Y	30.2	Very low	32.9	Very low	203.2 Å²	203.2	132 Å²	132	80%	0.797	74%	0.738	S	S	*	*			trans	-50.8	140.9	168.6	-62.1	-92.4	0	0	0	114.5
1523	Q	32.2	Very low	33.1	Very low	177.6 Å²	177.6	137.1 Å²	137.1	83%	0.83	74%	0.741	S	S	*	*				-163.5	151.4	81.4	-114.5	173.5	28.5	0	0	108.9
1524	T	28.1	Very low	33.2	Very low	116 Å²	116	139 Å²	139	71%	0.712	74%	0.74	S	S	*	*			trans	-106.1	138	171	-60.9	0	0	0	0	111.7
1525	I	32.5	Very low	33.1	Very low	152.6 Å²	152.6	136.1 Å²	136.1	78%	0.783	73%	0.733	S	S	*	*			trans	129.6	129.2	152.1	-62.1	163.5	0	0	0	113
1526	S	30.8	Very low	33.1	Very low	97.6 Å²	97.6	138.4 Å²	138.4	68%	0.683	73%	0.733	S	S	*	*				51	135.3	129.7	94.2	0	0	0	0	117
1527	C	28.6	Very low	33.3	Very low	119.2 Å²	119.2	139.9 Å²	139.9	81%	0.805	74%	0.738	S	S	*	*				32.1	135	119	-77.1	0	0	0	0	116.3
1528	Q	32.8	Very low	33.2	Very low	157.8 Å²	157.8	139.4 Å²	139.4	74%	0.737	74%	0.74	S	S	*	*			trans	-159.8	162.7	141.7	-81.1	-161.8	49.3	0	0	112.2
1529	K	30.6	Very low	33.2	Very low	177 Å²	177	136.6 Å²	136.6	77%	0.77	73%	0.733	S	S	*	*			trans	11.1	155.5	130	-70.8	154.1	-176.3	153.1	0	113.8
1530	S	32.7	Very low	33.6	Very low	109.8 Å²	109.8	136.6 Å²	136.6	77%	0.768	73%	0.729	S	S	*	*			cis	-163.9	164.5	40.3	49.4	0	0	0	0	112.3
1531	S	31.6	Very low	33.7	Very low	100.8 Å²	100.8	139.7 Å²	139.7	71%	0.705	73%	0.731	S	S	*	*			trans	-40.1	151	149.3	-158.2	0	0	0	0	112.4
1532	P	42.2	Very low	33.7	Very low	112 Å²	112	138.9 Å²	138.9	73%	0.727	73%	0.729	S	S	*	*				-105	163.4	117.5	17.5	-2.5	0	0	0	111.9
1533	R	35.8	Very low	34.1	Very low	217.2 Å²	217.2	137.4 Å²	137.4	82%	0.82	73%	0.727	S	S	*	*			trans	151.8	148.8	133.9	-88.1	-177.1	166.9	-140.4	-0.4	111.2
1534	D	32.8	Very low	34.4	Very low	120.2 Å²	120.2	134.2 Å²	134.2	64%	0.643	72%	0.722	S	S	*	*				-121	153.1	65.9	-80.4	-48	0	0	0	111.7	F1536	D1534-F1536 HydrophobicContact CB-CE2 4.49Å
1535	D	35.1	Very low	34.8	Very low	131.6 Å²	131.6	134.4 Å²	134.4	70%	0.704	72%	0.723	S	S	*	*			trans	115.3	125.5	135.1	-82	-28.9	0	0	0	116.5
1536	F	34	Very low	34.8	Very low	170.4 Å²	170.4	131.6 Å²	131.6	75%	0.747	72%	0.717	S	S	*	*				68.2	139.5	100.8	-69.6	-69.3	0	0	0	116.9	D1534	D1534-F1536 HydrophobicContact CB-CE2 4.49Å
1537	V	35.8	Very low	35.1	Very low	120.4 Å²	120.4	134.2 Å²	134.2	73%	0.73	72%	0.722	S	S	*	*				81.8	118.1	111.4	-176.8	0	0	0	0	115.9
1538	N	34.3	Very low	35.2	Very low	131.2 Å²	131.2	135.1 Å²	135.1	70%	0.702	72%	0.718	S	S	*	*				151.8	142.8	104.4	-129.1	-7.2	0	0	0	116.8
1539	N	35.2	Very low	35.3	Very low	113.2 Å²	113.2	134 Å²	134	61%	0.605	72%	0.717	S	S	*	*			trans	37.4	137.4	140	-69.9	-45.9	0	0	0	119.2
1540	N	41	Very low	35.5	Very low	115 Å²	115	132.3 Å²	132.3	62%	0.615	72%	0.715	S	S	*	*				146.7	140.9	104	-87.7	-44.8	0	0	0	115.6
1541	K	39.2	Very low	35.6	Very low	175 Å²	175	132.3 Å²	132.3	76%	0.761	71%	0.713	S	S	*	*				83.8	144.4	98.7	-78.5	163.5	-171.7	169.5	0	114.7
1542	C	33	Very low	35.6	Very low	99.6 Å²	99.6	135.2 Å²	135.2	67%	0.673	72%	0.719	S	S	*	*			cis	172.3	144.1	49.2	-93.8	0	0	0	0	112.7
1543	K	36.8	Very low	35.2	Very low	171.8 Å²	171.8	133.4 Å²	133.4	75%	0.747	71%	0.714	S	S	*	*				159	160.6	75.5	-80.8	-179.2	175.6	-164.4	0	112.8	T1545	K1543-T1545 HydrophobicContact CD-CG2 4.27Å
1544	P	39.3	Very low	35	Very low	110.6 Å²	110.6	130 Å²	130	72%	0.718	71%	0.712	S	S	*	*			cis	-130.2	164.1	-1.7	36.5	-21.5	0	0	0	114.2
1545	T	35.9	Very low	35.1	Very low	119.4 Å²	119.4	128.5 Å²	128.5	73%	0.733	72%	0.716	S	S	*	*			trans	93	145.4	159.4	38.8	0	0	0	0	115.2	K1543	K1543-T1545 HydrophobicContact CD-CG2 4.27Å
1546	S	34.2	Very low	35.1	Very low	94.2 Å²	94.2	130.5 Å²	130.5	66%	0.659	72%	0.719	S	S	*	*			cis	-178.6	143.7	19.7	85.9	0	0	0	0	111.3
1547	L	35.4	Very low	35.2	Very low	152.6 Å²	152.6	131 Å²	131	80%	0.799	72%	0.72	S	S	*	*			trans	79.3	133.7	132.2	-66	171.2	0	0	0	113.8
1548	L	32.3	Very low	35.2	Very low	138 Å²	138	130.5 Å²	130.5	72%	0.723	72%	0.718	S	S	*	*				155.8	128.4	51.4	-155.2	70.8	0	0	0	116.1	I1550	L1548-I1550 HydrophobicContact CD1-CD1 3.75Å; L1548-I1550 HydrophobicContact CD1-CG1 4.09Å
1549	N	33.7	Very low	35.3	Very low	133.2 Å²	133.2	132.3 Å²	132.3	71%	0.712	72%	0.722	S	S	*	*			trans	53.2	121.4	152.1	-74.9	-11.6	0	0	0	120.7
1550	I	35	Very low	35.2	Very low	142.2 Å²	142.2	135.1 Å²	135.1	73%	0.729	73%	0.729	S	S	*	*				59	134.4	91.1	-64	170.3	0	0	0	113.9	L1548 L1552	L1548-I1550 HydrophobicContact CD1-CD1 3.75Å; L1548-I1550 HydrophobicContact CD1-CG1 4.09Å; I1550-L1552 HydrophobicContact CG2-CB 3.27Å; I1550-L1552 HydrophobicContact CG2-CD2 4.2Å; I1550-L1552 HydrophobicContact CG2-CG 4.37Å
1551	P	35.7	Very low	34.9	Very low	110.2 Å²	110.2	137 Å²	137	72%	0.716	73%	0.734	S	S	*	*				-124.6	155.3	52.7	28.3	-10.5	0	0	0	115.4
1552	L	31.7	Very low	34.5	Very low	161.6 Å²	161.6	135 Å²	135	85%	0.846	73%	0.731	S	S	*	*				75.2	130.3	90.5	-152.8	66.8	0	0	0	117.3	I1550 K1695	I1550-L1552 HydrophobicContact CG2-CB 3.27Å; I1550-L1552 HydrophobicContact CG2-CD2 4.2Å; I1550-L1552 HydrophobicContact CG2-CG 4.37Å; L1552-K1695 HydrophobicContact CD1-CD 3.91Å
1553	A	32.4	Very low	34.5	Very low	73.4 Å²	73.4	135.2 Å²	135.2	61%	0.607	73%	0.734	S	S	*	*			trans	159.7	144.9	143.4	0	0	0	0	0	116.4	K1696	A1553-K1696 WeakPolarHBondContact O-CD 3.28Å; A1553-K1696 WeakPolarHBondContact O-CE 3.05Å; A1553-K1696 PolarHBondContact O-NZ 2.96Å
1554	N	32.2	Very low	34.5	Very low	145.8 Å²	145.8	131.5 Å²	131.5	78%	0.78	74%	0.735	S	S	*	*			trans	56.6	136.2	149.9	-69.3	-30.6	0	0	0	118.3	K1696 K1697	N1554-K1696 PolarHBondContact OD1-NZ 2.57Å; N1554-K1697 PolarHBondContact O-NZ 2.91Å
1555	A	34	Very low	34.2	Very low	88.8 Å²	88.8	135 Å²	135	73%	0.734	74%	0.739	S	S	*	*				-101	138.3	112.9	0	0	0	0	0	112.8
1556	K	35.7	Very low	34	Very low	174.8 Å²	174.8	136.5 Å²	136.5	76%	0.76	74%	0.742	S	S	*	*				-133.5	138.7	128.7	-64.5	175.7	179.4	174.6	0	111.5	E1931	K1556-E1931 IonicContact NZ-OE1 2.66Å; K1556-E1931 PolarHBondContact NZ-OE1 3.26Å
1557	K	37.1	Very low	34	Very low	179.4 Å²	179.4	138.4 Å²	138.4	78%	0.78	74%	0.744	S	S	*	*				99.8	115.9	95.3	-97.5	178.2	-179.4	-178.4	0	115.4	E1931 N1932 D1933	K1557-E1931 WeakPolarHBondContact CE-O 3.21Å; K1557-N1932 PolarHBondContact NZ-OD1 3.03Å; K1557-D1933 WeakPolarHBondContact CE-O 3.41Å; K1557-D1933 PolarHBondContact NZ-O 3.46Å
1558	T	34.7	Very low	34	Very low	110.8 Å²	110.8	138.8 Å²	138.8	68%	0.68	74%	0.743	S	S	*	*				155.1	141.2	124.1	42.4	0	0	0	0	112.7	E1931	T1558-E1931 HydrophobicContact CG2-CB 4.41Å
1559	Q	36.7	Very low	34.1	Very low	168.4 Å²	168.4	138.1 Å²	138.1	79%	0.787	74%	0.74	S	S	*	*			cis	-163.2	147.9	24.6	-174.6	159.6	-35.2	0	0	109.6
1560	K	33	Very low	34.3	Very low	172.4 Å²	172.4	138.2 Å²	138.2	75%	0.75	74%	0.741	S	S	*	*			trans	-13	143.3	131	-96.4	179.6	174.1	-163.2	0	114.7
1561	H	34.8	Very low	34.2	Very low	155.2 Å²	155.2	139.8 Å²	139.8	72%	0.719	74%	0.743	S	S	*	*			trans	173.7	142.7	145.5	-78.4	-63.9	0	0	0	112.3
1562	D	30.8	Very low	34.3	Very low	131.8 Å²	131.8	139.6 Å²	139.6	71%	0.705	74%	0.739	S	S	*	*			cis	159.8	153.3	22.9	-128.2	-14.8	0	0	0	114.7
1563	S	34.1	Very low	34.4	Very low	104.2 Å²	104.2	140.8 Å²	140.8	73%	0.729	74%	0.738	S	S	*	*			trans	53.5	138	151.1	20	0	0	0	0	118.7
1564	A	35	Very low	34.7	Very low	94.6 Å²	94.6	144.9 Å²	144.9	78%	0.782	74%	0.744	S	S	*	*			trans	-145.2	145.9	150.4	0	0	0	0	0	114.8
1565	K	33.6	Very low	34.7	Very low	184.4 Å²	184.4	145.3 Å²	145.3	80%	0.802	75%	0.747	S	S	*	*			trans	-129.8	138.3	151.4	-82.6	-177.1	176.1	-176.4	0	112.6	I1567	K1565-I1567 HydrophobicContact CB-CD1 4.16Å; K1565-I1567 HydrophobicContact CD-CD1 4.2Å; K1565-I1567 HydrophobicContact CG-CD1 4.23Å
1566	L	32.7	Very low	34.7	Very low	151.4 Å²	151.4	145.6 Å²	145.6	79%	0.793	74%	0.743	S	S	*	*				-109.1	122.7	116.3	-87.1	105.5	0	0	0	111.1
1567	I	33.3	Very low	34.6	Very low	133.8 Å²	133.8	145.1 Å²	145.1	69%	0.686	75%	0.748	S	S	*	*				66.5	114.8	86.4	-58.1	171	0	0	0	109.5	K1565 D1569	K1565-I1567 HydrophobicContact CB-CD1 4.16Å; K1565-I1567 HydrophobicContact CD-CD1 4.2Å; K1565-I1567 HydrophobicContact CG-CD1 4.23Å; I1567-D1569 HydrophobicContact CG2-CB 4.39Å; I1567-D1569 PolarHBondContact O-N 3.02Å
1568	M	36	Very low	34.4	Very low	161 Å²	161	140.5 Å²	140.5	79%	0.793	75%	0.751	S	S	*	*				-139	143.5	74.3	-105.8	178.7	69.6	0	0	110
1569	D	33.5	Very low	34.4	Very low	123 Å²	123	138.4 Å²	138.4	66%	0.658	75%	0.752	S	S	*	*				42.5	137.1	94.6	-76.2	-39.9	0	0	0	113.6	I1567 F1571	I1567-D1569 HydrophobicContact CG2-CB 4.39Å; I1567-D1569 PolarHBondContact O-N 3.02Å; D1569-F1571 WeakPolarHBondContact OD1-CD2 3.4Å
1570	D	37.5	Very low	34.3	Very low	134.6 Å²	134.6	135.8 Å²	135.8	72%	0.72	75%	0.752	S	S	*	*				-173.1	125.1	114.9	-109.4	-19.6	0	0	0	113.9	F1573	D1570-F1573 HydrophobicContact CB-CE2 3.93Å; D1570-F1573 WeakPolarHBondContact OD2-CE2 3.35Å
1571	F	34.6	Very low	34.3	Very low	177.2 Å²	177.2	133.9 Å²	133.9	78%	0.777	76%	0.755	S	S	*	*			trans	12.5	106.2	152.9	-76.2	-79.9	0	0	0	115.2	D1569	D1569-F1571 WeakPolarHBondContact OD1-CD2 3.4Å
1572	V	37.7	Very low	34.2	Very low	105.4 Å²	105.4	131.3 Å²	131.3	64%	0.639	75%	0.754	S	S	*	*				66	106	121.8	178.9	0	0	0	0	115.1	Q1574	V1572-Q1574 HydrophobicContact CG1-CB 4.05Å; V1572-Q1574 HydrophobicContact CG1-CG 3.75Å; V1572-Q1574 PolarHBondContact O-N 3.28Å
1573	F	34.2	Very low	34.4	Very low	186.8 Å²	186.8	134 Å²	134	82%	0.819	76%	0.76	S	S	*	*			trans	-109.7	113.4	130.7	-80.4	-96.7	0	0	0	112.4	D1570 N1575	D1570-F1573 HydrophobicContact CB-CE2 3.93Å; D1570-F1573 WeakPolarHBondContact OD2-CE2 3.35Å; F1573-N1575 VanDerWaalsContact C-N 3.29Å; F1573-N1575 HydrophobicContact CB-CB 4.28Å
1574	Q	37.6	Very low	34.3	Very low	158.2 Å²	158.2	136 Å²	136	74%	0.739	76%	0.763	S	S	*	*			trans	-123.7	101	136.2	-82.2	-157.6	38.9	0	0	111.7	V1572 S1576	V1572-Q1574 HydrophobicContact CG1-CB 4.05Å; V1572-Q1574 HydrophobicContact CG1-CG 3.75Å; V1572-Q1574 PolarHBondContact O-N 3.28Å; Q1574-S1576 PolarHBondContact O-N 2.96Å; Q1574-S1576 PolarHBondContact OE1-OG 3.06Å
1575	N	32.3	Very low	34.3	Very low	155.8 Å²	155.8	137.9 Å²	137.9	83%	0.833	76%	0.759	S	S	*	*			trans	-103.2	76.4	158	-92.9	-15.1	0	0	0	109.8	F1573 L1577	F1573-N1575 VanDerWaalsContact C-N 3.29Å; F1573-N1575 HydrophobicContact CB-CB 4.28Å; N1575-L1577 PolarHBondContact O-N 2.72Å
1576	S	33.2	Very low	34.3	Very low	95 Å²	95	137.4 Å²	137.4	66%	0.664	76%	0.76	S	S	*	*			trans	-121.8	117.2	170.6	-69.3	0	0	0	0	110.7	Q1574 G1578	Q1574-S1576 PolarHBondContact O-N 2.96Å; Q1574-S1576 PolarHBondContact OE1-OG 3.06Å; S1576-G1578 PolarHBondContact O-N 3.29Å
1577	L	33.9	Very low	34.4	Very low	163.6 Å²	163.6	137.6 Å²	137.6	86%	0.857	76%	0.761	S	S	*	*			trans	-90.6	108.6	170.6	-83.9	120.4	0	0	0	111.1	N1575 G1579	N1575-L1577 PolarHBondContact O-N 2.72Å; L1577-G1579 PolarHBondContact O-N 3.11Å
1578	G	33.6	Very low	34.7	Very low	82.4 Å²	82.4	140.4 Å²	140.4	85%	0.849	77%	0.768	S	S	*	*			trans	-145.8	59	159.8	0	0	0	0	0	112.6	S1576 S1580	S1576-G1578 PolarHBondContact O-N 3.29Å; G1578-S1580 PolarHBondContact O-N 2.92Å; G1578-S1580 VanDerWaalsContact O-N 3.15Å
1579	G	33.9	Very low	34.6	Very low	67 Å²	67	142.1 Å²	142.1	69%	0.691	77%	0.771	S	S	*	*			trans	-133.1	93	-177	0	0	0	0	0	113.2	L1577	L1577-G1579 PolarHBondContact O-N 3.11Å
1580	S	35.4	Very low	34.7	Very low	113.4 Å²	113.4	142 Å²	142	79%	0.793	78%	0.777	S	S	*	*			trans	-116.8	146	153.9	60.5	0	0	0	0	112.9	G1578	G1578-S1580 PolarHBondContact O-N 2.92Å; G1578-S1580 VanDerWaalsContact O-N 3.15Å
1581	V	32.2	Very low	34.4	Very low	132.4 Å²	132.4	143.6 Å²	143.6	80%	0.802	78%	0.78	S	S	*	*				98.4	112.9	115.9	169.8	0	0	0	0	112.5
1582	S	32.5	Very low	34.6	Very low	102 Å²	102	139.4 Å²	139.4	71%	0.713	77%	0.77	S	S	*	*			trans	154.1	136.2	145.9	-115.3	0	0	0	0	114
1583	K	35.1	Very low	34.5	Very low	188.6 Å²	188.6	141.4 Å²	141.4	82%	0.82	78%	0.778	S	S	*	*			trans	82.5	114.5	138.9	-64.1	171.3	-174.8	176.5	0	113.9
1584	N	33	Very low	34.5	Very low	146.4 Å²	146.4	138.5 Å²	138.5	78%	0.783	78%	0.775	S	S	*	*				-168.7	161.8	62.3	-118.6	-3.3	0	0	0	115.4
1585	N	35.3	Very low	34.4	Very low	134.2 Å²	134.2	136.6 Å²	136.6	72%	0.718	78%	0.777	S	S	*	*			trans	40.3	128.9	165.2	-63.4	-26.7	0	0	0	116.4
1586	Q	33.4	Very low	34.4	Very low	173.6 Å²	173.6	134.1 Å²	134.1	81%	0.811	77%	0.771	S	S	*	*				54	130.5	111.7	-59.5	-172.4	62	0	0	114.3
1587	L	34.8	Very low	34.4	Very low	155.4 Å²	155.4	134.4 Å²	134.4	81%	0.814	77%	0.774	S	S	*	*				-138.2	132.6	109.3	-129.1	70.7	0	0	0	112
1588	K	38.7	Very low	34.7	Very low	191.6 Å²	191.6	134 Å²	134	83%	0.833	77%	0.771	S	S	*	*			trans	68.9	142.8	149.9	-64.2	-175.9	-179.4	179.5	0	115.2
1589	K	34.3	Very low	34.9	Very low	196.8 Å²	196.8	137 Å²	137	86%	0.856	77%	0.768	S	S	*	*			trans	-101.1	162.1	150.1	-82.6	178	177.9	-178.7	0	111.8
1590	P	35.2	Very low	35.2	Very low	121 Å²	121	138.8 Å²	138.8	79%	0.786	77%	0.767	S	S	*	*			trans	-103.7	150.9	-178.4	30.8	-21.3	0	0	0	113.5
1591	H	31.3	Very low	35.2	Very low	167.8 Å²	167.8	138.6 Å²	138.6	78%	0.777	76%	0.761	S	S	*	*				158.1	142.1	110.4	-168.9	-78.4	0	0	0	111.6
1592	P	38.9	Very low	35.4	Very low	89 Å²	89	141 Å²	141	58%	0.578	76%	0.761	S	S	*	*				-109.7	-168.2	-66.5	34	-20	0	0	0	112.1
1593	D	36.1	Very low	35.6	Very low	148.4 Å²	148.4	147.2 Å²	147.2	79%	0.794	77%	0.768	S	S	*	*			trans	-161.4	141.1	137	-93.3	-37.3	0	0	0	114.7
1594	T	34.2	Very low	35.6	Very low	125.2 Å²	125.2	147.6 Å²	147.6	77%	0.768	77%	0.77	S	S	*	*			trans	-84.6	151.1	169.1	6.9	0	0	0	0	114.9
1595	P	35.6	Very low	35.8	Very low	119 Å²	119	145.8 Å²	145.8	77%	0.773	77%	0.766	S	S	*	*			trans	-130.2	159	132.3	38.8	-26.2	0	0	0	115.4
1596	S	31.6	Very low	35.7	Very low	102.8 Å²	102.8	144 Å²	144	72%	0.719	76%	0.764	S	S	*	*				-178	138.5	124.5	55.2	0	0	0	0	114.2
1597	S	32.9	Very low	35.8	Very low	102 Å²	102	141.7 Å²	141.7	71%	0.713	76%	0.762	S	S	*	*			trans	123.4	150.2	142.7	68.1	0	0	0	0	115
1598	L	40	Very low	35.8	Very low	154 Å²	154	140.4 Å²	140.4	81%	0.806	76%	0.761	S	S	*	*			trans	71.7	93.9	164.5	-56.4	169.7	0	0	0	116.8	N2084	L1598-N2084 WeakPolarHBondContact CA-ND2 3.42Å; L1598-N2084 PolarHBondContact N-ND2 3.41Å; L1598-N2084 VanDerWaalsContact N-ND2 3.11Å
1599	L	38	Very low	35.7	Very low	147.4 Å²	147.4	136.4 Å²	136.4	77%	0.772	76%	0.757	S	S	*	*				5.7	155.8	104.5	-67.7	167.4	0	0	0	114	N2084	L1599-N2084 HydrophobicContact CD1-CB 4.43Å; L1599-N2084 HydrophobicContact CD2-CB 4.1Å; L1599-N2084 HydrophobicContact CG-CB 3.89Å; L1599-N2084 WeakPolarHBondContact CG-ND2 3.46Å
1600	P	41.3	Very low	35.7	Very low	103.2 Å²	103.2	135.9 Å²	135.9	67%	0.67	76%	0.758	S	S	*	*			cis	-140	-165.5	-6.2	33.5	-11.2	0	0	0	114.8
1601	T	35.6	Very low	35.8	Very low	110.2 Å²	110.2	135.4 Å²	135.4	68%	0.676	76%	0.757	S	S	*	*			trans	74.6	128.2	134.9	13.4	0	0	0	0	119.6
1602	K	36.1	Very low	36.1	Very low	182.2 Å²	182.2	135.5 Å²	135.5	79%	0.792	76%	0.756	S	S	*	*				163.9	133.8	113.3	-73.2	-179.7	-176.2	176.4	0	113.8
1603	R	36.7	Very low	36	Very low	232.6 Å²	232.6	138.2 Å²	138.2	88%	0.878	76%	0.76	S	S	*	*				111.5	142.6	117.9	-77.4	165.4	179.9	166.6	-1.8	114.9
1604	K	34.4	Very low	35.9	Very low	196.2 Å²	196.2	138 Å²	138	85%	0.853	76%	0.758	S	S	*	*				-114.6	166.6	117.3	-87	-176.9	174.8	-177.2	0	108.4
1605	P	37.7	Very low	35.8	Very low	108.4 Å²	108.4	137.3 Å²	137.3	70%	0.704	76%	0.758	S	S	*	*			cis	-122	-176.2	46.8	25.2	-6.7	0	0	0	112.8
1606	S	33.4	Very low	35.5	Very low	97.6 Å²	97.6	135.7 Å²	135.7	68%	0.683	76%	0.755	S	S	*	*				70.8	137.7	112.1	77.7	0	0	0	0	118.4
1607	T	34.1	Very low	35.6	Very low	124.2 Å²	124.2	136.3 Å²	136.3	76%	0.762	76%	0.759	S	S	*	*			trans	114.8	151	173.2	40.2	0	0	0	0	115
1608	T	35.8	Very low	35.7	Very low	128.2 Å²	128.2	138.6 Å²	138.6	79%	0.787	76%	0.763	S	S	*	*				108.5	140.5	116.3	21.4	0	0	0	0	117
1609	S	35.5	Very low	35.5	Very low	108 Å²	108	135.5 Å²	135.5	76%	0.755	76%	0.76	S	S	*	*			trans	147.7	134.3	132.8	57.2	0	0	0	0	116.1
1610	E	36.3	Very low	35.2	Very low	187 Å²	187	134 Å²	134	87%	0.874	75%	0.753	S	S	*	*			trans	-33.7	152.9	149.3	-70.6	165.2	164.7	0	0	117
1611	S	36.5	Very low	35	Very low	110 Å²	110	136.6 Å²	136.6	77%	0.769	75%	0.753	S	S	*	*				-174.5	159.9	-126	62.8	0	0	0	0	112.1
1612	K	36.5	Very low	34.8	Very low	170.4 Å²	170.4	137.2 Å²	137.2	74%	0.741	76%	0.757	S	S	*	*			cis	154.9	144.2	18.2	-119.1	177.3	177.1	-129.9	0	111.7
1613	E	37	Very low	34.6	Very low	146 Å²	146	134.5 Å²	134.5	68%	0.682	76%	0.756	S	S	*	*			trans	117	129.9	133.2	-90.2	165.7	177.9	0	0	115.3
1614	I	34.8	Very low	34.3	Very low	144 Å²	144	130.8 Å²	130.8	74%	0.738	75%	0.753	S	S	*	*				69.3	117.2	102.3	-59.6	170.5	0	0	0	114.5	A1616	I1614-A1616 HydrophobicContact CG2-CB 4.3Å
1615	S	31.6	Very low	34.2	Very low	110.4 Å²	110.4	124.3 Å²	124.3	77%	0.772	74%	0.741	S	S	*	*			cis	-160	155.9	48.8	-100	0	0	0	0	113.5
1616	A	30.7	Very low	33.8	Very low	85.2 Å²	85.2	125.9 Å²	125.9	70%	0.704	74%	0.744	S	S	*	*				78	134.9	114.7	0	0	0	0	0	113.9	I1614 N1618	I1614-A1616 HydrophobicContact CG2-CB 4.3Å; A1616-N1618 PolarHBondContact N-ND2 3.44Å; A1616-N1618 VanDerWaalsContact O-CG 3.26Å; A1616-N1618 PolarHBondContact O-N 2.79Å; A1616-N1618 PolarHBondContact O-ND2 3.21Å; A1616-N1618 PolarHBondContact O-OD1 3.02Å
1617	S	32.7	Very low	33.6	Very low	114.8 Å²	114.8	128.3 Å²	128.3	80%	0.803	75%	0.747	S	S	*	*			cis	-166.8	139.9	31.3	48.3	0	0	0	0	110.7
1618	N	34.7	Very low	33.2	Very low	149.8 Å²	149.8	127 Å²	127	80%	0.801	74%	0.743	S	S	*	*				172.5	135.8	89.2	-108.3	-18.5	0	0	0	112.1	A1616	A1616-N1618 PolarHBondContact N-ND2 3.44Å; A1616-N1618 VanDerWaalsContact O-CG 3.26Å; A1616-N1618 PolarHBondContact O-N 2.79Å; A1616-N1618 PolarHBondContact O-ND2 3.21Å; A1616-N1618 PolarHBondContact O-OD1 3.02Å
1619	A	35.2	Very low	32.9	Very low	90.6 Å²	90.6	127.6 Å²	127.6	75%	0.749	74%	0.739	S	S	*	*			trans	109.6	129.2	159.6	0	0	0	0	0	114.6
1620	D	32.5	Very low	32.6	Very low	114.8 Å²	114.8	127.2 Å²	127.2	61%	0.614	73%	0.732	S	S	*	*			cis	-179.7	139.1	17.8	-132	7.2	0	0	0	114.4
1621	K	36.6	Very low	32.3	Very low	158 Å²	158	126.8 Å²	126.8	69%	0.687	73%	0.728	S	S	*	*			trans	54.1	161.1	148.9	-77.2	159.5	-164.5	131.2	0	117.9
1622	T	32.1	Very low	32.1	Very low	122.6 Å²	122.6	126.4 Å²	126.4	75%	0.752	72%	0.724	S	S	*	*			trans	68.2	136.2	137.8	34.1	0	0	0	0	116.5
1623	V	32.5	Very low	32	Very low	125.6 Å²	125.6	127.3 Å²	127.3	76%	0.761	73%	0.728	S	S	*	*				80.3	121.4	79.7	164.9	0	0	0	0	113.8
1624	L	29.6	Very low	31.8	Very low	155.8 Å²	155.8	125.5 Å²	125.5	82%	0.816	73%	0.728	S	S	*	*			trans	112.2	135.4	140.8	-125.5	79.4	0	0	0	113
1625	G	31.5	Very low	31.7	Very low	59.4 Å²	59.4	125.8 Å²	125.8	61%	0.612	73%	0.726	S	S	*	*			trans	107.3	107.1	150.9	0	0	0	0	0	113.7
1626	N	29.5	Very low	31.8	Very low	140.8 Å²	140.8	127.9 Å²	127.9	75%	0.753	72%	0.721	S	S	*	*				62.4	144.8	93.1	-65.6	-24.1	0	0	0	113.5
1627	I	29.2	Very low	32.2	Very low	148.6 Å²	148.6	131 Å²	131	76%	0.762	72%	0.724	S	S	*	*			trans	59.5	120	147.7	-38.7	140.4	0	0	0	114	M1629	I1627-M1629 HydrophobicContact CG2-CG 3.66Å
1628	S	27.1	Very low	32.3	Very low	96.4 Å²	96.4	130.6 Å²	130.6	67%	0.674	72%	0.719	S	S	*	*				102.6	164.6	59	119.8	0	0	0	0	113.1
1629	M	29.6	Very low	32.2	Very low	140.4 Å²	140.4	128.7 Å²	128.7	69%	0.692	72%	0.716	S	S	*	*			trans	78.4	113.4	147	-66.7	-86.3	-84.4	0	0	115.1	I1627	I1627-M1629 HydrophobicContact CG2-CG 3.66Å
1630	T	28.6	Very low	32.2	Very low	100.4 Å²	100.4	132.5 Å²	132.5	62%	0.616	72%	0.718	S	S	*	*				95.6	150.8	91.3	53.3	0	0	0	0	115.4
1631	K	30.1	Very low	32.2	Very low	179.2 Å²	179.2	131.5 Å²	131.5	78%	0.779	72%	0.72	S	S	*	*			trans	78.4	125.2	151.4	-67.4	154.8	-166.3	173.1	0	114.4
1632	S	32	Very low	32	Very low	100.4 Å²	100.4	130.9 Å²	130.9	70%	0.702	72%	0.723	S	S	*	*			cis	135.7	138.3	31.4	66.7	0	0	0	0	112.1
1633	K	34.4	Very low	32.1	Very low	190.6 Å²	190.6	128.9 Å²	128.9	83%	0.829	72%	0.719	S	S	*	*			trans	-177.8	121.1	133.9	-113.9	171.8	178.2	179.2	0	111.7
1634	T	33.2	Very low	32.3	Very low	108 Å²	108	131.7 Å²	131.7	66%	0.663	72%	0.721	S	S	*	*				114.9	126	91	-38	0	0	0	0	111.9
1635	Q	31.7	Very low	32.4	Very low	149.4 Å²	149.4	133.3 Å²	133.3	70%	0.698	72%	0.721	S	S	*	*			trans	108.2	134.7	134.7	-104.6	164.7	17.6	0	0	112.9
1636	K	34.9	Very low	32.5	Very low	155 Å²	155	137.9 Å²	137.9	67%	0.674	73%	0.731	S	S	*	*				162	143.5	54.8	-96.6	158.9	-172.4	164.8	0	114
1637	I	38.9	Very low	32.6	Very low	149.4 Å²	149.4	134 Å²	134	77%	0.766	73%	0.725	S	S	*	*				67.9	136.8	104	-63.3	166	0	0	0	115
1638	P	35.1	Very low	32.7	Very low	106.4 Å²	106.4	132.2 Å²	132.2	69%	0.691	73%	0.725	S	S	*	*			cis	-133.2	-172.9	-24.5	36.1	-16.3	0	0	0	114.4
1639	C	32.1	Very low	32.9	Very low	110.8 Å²	110.8	132.8 Å²	132.8	75%	0.749	73%	0.729	S	S	*	*			trans	-46.1	139.7	148.7	-61.1	0	0	0	0	114.3
1640	Q	34.6	Very low	32.8	Very low	170 Å²	170	130.2 Å²	130.2	79%	0.794	73%	0.725	S	S	*	*				-154.2	128.2	127.1	-86.4	176.3	3	0	0	109.7
1641	S	32.1	Very low	32.9	Very low	93.6 Å²	93.6	133.5 Å²	133.5	66%	0.655	73%	0.733	S	S	*	*				61	137.4	64.1	80.1	0	0	0	0	115
1642	I	34.3	Very low	32.9	Very low	146.8 Å²	146.8	130 Å²	130	75%	0.753	73%	0.731	S	S	*	*				-167.3	129.5	118.4	-59.5	129.6	0	0	0	110.6	K1644	I1642-K1644 HydrophobicContact CG2-CD 4.49Å
1643	A	33.9	Very low	32.8	Very low	80.4 Å²	80.4	129.8 Å²	129.8	66%	0.664	73%	0.73	S	S	*	*				-20.6	160	76	0	0	0	0	0	113
1644	K	35.7	Very low	32.6	Very low	183 Å²	183	127.1 Å²	127.1	80%	0.796	72%	0.724	S	S	*	*				153.9	136.2	62.2	-81.3	165.8	-176.6	174.6	0	110.4	I1642	I1642-K1644 HydrophobicContact CG2-CD 4.49Å
1645	K	32.3	Very low	32.5	Very low	190 Å²	190	130.3 Å²	130.3	83%	0.826	73%	0.729	S	S	*	*				61.2	145.6	121.2	-82	-173.3	168	-168.6	0	115.2
1646	L	33.8	Very low	32.4	Very low	155.6 Å²	155.6	131.3 Å²	131.3	82%	0.815	73%	0.731	S	S	*	*			cis	-141	153	-5.6	-130.7	76.8	0	0	0	107.3
1647	G	31.4	Very low	32.2	Very low	60 Å²	60	131.7 Å²	131.7	62%	0.619	74%	0.735	S	S	*	*			cis	111.7	145.9	48	0	0	0	0	0	112.3
1648	S	30.4	Very low	31.9	Very low	111.2 Å²	111.2	129.5 Å²	129.5	78%	0.778	73%	0.732	S	S	*	*			cis	107.1	136.7	39.1	63.3	0	0	0	0	113.2
1649	S	31	Very low	32.1	Very low	108 Å²	108	131 Å²	131	76%	0.755	73%	0.733	S	S	*	*			trans	48.5	132.7	144.9	-126.1	0	0	0	0	119
1650	S	29	Very low	32.6	Very low	86.4 Å²	86.4	130.9 Å²	130.9	60%	0.604	73%	0.731	S	S	*	*				-174.5	155.5	89.6	43.8	0	0	0	0	115.1
1651	E	30.6	Very low	32.5	Very low	169.2 Å²	169.2	129 Å²	129	79%	0.791	73%	0.727	S	S	*	*				79.9	149.6	105.4	-80.7	169.1	111.1	0	0	116.3
1652	S	29.2	Very low	32.5	Very low	106 Å²	106	131.1 Å²	131.1	74%	0.741	73%	0.73	S	S	*	*			trans	93.1	139.9	144.5	62.9	0	0	0	0	112
1653	S	29.3	Very low	32.3	Very low	96.4 Å²	96.4	132.2 Å²	132.2	67%	0.674	73%	0.73	S	S	*	*				116.5	135.8	67.2	76	0	0	0	0	114.5
1654	L	31.3	Very low	32.4	Very low	134 Å²	134	134.8 Å²	134.8	70%	0.702	73%	0.732	S	S	*	*			trans	102.1	105.1	139.2	-74.8	167.4	0	0	0	115
1655	K	30	Very low	32.4	Very low	174.4 Å²	174.4	133.6 Å²	133.6	76%	0.758	73%	0.729	S	S	*	*				80.9	134.8	107.4	-102.9	178.1	-173.6	168.3	0	115.7
1656	K	30.9	Very low	32.5	Very low	169.8 Å²	169.8	131.1 Å²	131.1	74%	0.738	72%	0.724	S	S	*	*			trans	100.1	132.7	144.2	-74.8	-179.6	174.2	-170.9	0	116.2
1657	H	30.4	Very low	32.3	Very low	164.8 Å²	164.8	128.9 Å²	128.9	76%	0.763	72%	0.717	S	S	*	*				61	137.8	116.2	-66.2	-77.7	0	0	0	117
1658	S	33	Very low	32.5	Very low	102.2 Å²	102.2	131.5 Å²	131.5	72%	0.715	72%	0.721	S	S	*	*				118.2	129.6	50.3	-155.4	0	0	0	0	116
1659	I	39.4	Very low	32.4	Very low	137.4 Å²	137.4	133.1 Å²	133.1	71%	0.705	72%	0.721	S	S	*	*			trans	12	130.9	132	-58	163.8	0	0	0	111
1660	P	41.2	Very low	32.5	Very low	110 Å²	110	131.3 Å²	131.3	71%	0.714	72%	0.719	S	S	*	*				-139.5	154.3	62.9	28.9	-9.3	0	0	0	117.7
1661	N	32.4	Very low	32.6	Very low	130.6 Å²	130.6	133.4 Å²	133.4	70%	0.698	72%	0.724	S	S	*	*				22.8	142.3	124.1	-56.9	-32.6	0	0	0	116.9
1662	N	31.7	Very low	32.6	Very low	136.8 Å²	136.8	132.4 Å²	132.4	73%	0.732	72%	0.719	S	S	*	*				-179.1	139.2	92.4	-95.4	-31.2	0	0	0	109.2
1663	K	32	Very low	32.6	Very low	169 Å²	169	131.9 Å²	131.9	74%	0.735	72%	0.716	S	S	*	*			cis	80.2	123.3	43.4	-140.8	-174.6	176.7	-174.1	0	112.9
1664	L	36.1	Very low	32.7	Very low	135.8 Å²	135.8	132.6 Å²	132.6	71%	0.711	72%	0.716	S	S	*	*			trans	100.1	133.8	155.7	-72.8	166.2	0	0	0	113.1	L1666	L1664-L1666 HydrophobicContact CD2-CD1 3.92Å; L1664-L1666 PolarHBondContact O-N 3.2Å
1665	Q	34.3	Very low	32.7	Very low	158.2 Å²	158.2	135 Å²	135	74%	0.739	72%	0.721	S	S	*	*			cis	-138.3	143.1	27.6	-131.5	157.1	0.9	0	0	108.7
1666	L	33.9	Very low	32.7	Very low	137 Å²	137	131.6 Å²	131.6	72%	0.717	72%	0.719	S	S	*	*				47.4	130.1	124	-84.8	77	0	0	0	113.4	L1664	L1664-L1666 HydrophobicContact CD2-CD1 3.92Å; L1664-L1666 PolarHBondContact O-N 3.2Å
1667	T	30.8	Very low	32.9	Very low	110 Å²	110	127.6 Å²	127.6	68%	0.675	72%	0.718	S	S	*	*			cis	176.3	145.7	37.8	50.3	0	0	0	0	111.7
1668	T	34.5	Very low	32.9	Very low	115 Å²	115	125.3 Å²	125.3	71%	0.706	71%	0.711	S	S	*	*				101.7	142.3	87.5	4	0	0	0	0	115.5
1669	D	28.8	Very low	32.8	Very low	144.2 Å²	144.2	127.1 Å²	127.1	77%	0.771	71%	0.713	S	S	*	*			trans	25.8	152.6	142.4	-55	-55.1	0	0	0	116.2
1670	G	33.6	Very low	32.4	Very low	69.6 Å²	69.6	130.8 Å²	130.8	72%	0.718	72%	0.718	S	S	*	*			trans	139.3	73.8	175.1	0	0	0	0	0	115.3
1671	D	30.1	Very low	32	Very low	130.6 Å²	130.6	130.2 Å²	130.2	70%	0.698	72%	0.717	S	S	*	*			trans	-52.8	152.2	165.6	-112.4	-24.2	0	0	0	115.9
1672	Q	31.5	Very low	31.9	Very low	148.8 Å²	148.8	129.8 Å²	129.8	70%	0.695	71%	0.714	S	S	*	*			trans	72.4	125	158.7	-58.7	175.7	57.3	0	0	120.1	V1674	Q1672-V1674 HydrophobicContact CB-CG2 4.34Å
1673	S	29.9	Very low	31.9	Very low	95 Å²	95	132 Å²	132	66%	0.664	72%	0.717	S	S	*	*				99.8	134.7	125.8	99.3	0	0	0	0	114.6
1674	V	29.9	Very low	32	Very low	111.8 Å²	111.8	129.5 Å²	129.5	68%	0.678	72%	0.719	S	S	*	*				105.5	128	124.9	170.5	0	0	0	0	113.9	Q1672	Q1672-V1674 HydrophobicContact CB-CG2 4.34Å
1675	F	32.2	Very low	32	Very low	183.8 Å²	183.8	128.3 Å²	128.3	81%	0.806	72%	0.72	S	S	*	*			trans	49.7	123.7	160.9	-65	-75.8	0	0	0	115.7
1676	S	30.9	Very low	31.8	Very low	102.4 Å²	102.4	127.6 Å²	127.6	72%	0.716	72%	0.716	S	S	*	*				150.5	125.4	58.1	-96	0	0	0	0	113.8	N1678	S1676-N1678 VanDerWaalsContact C-CB 3.45Å; S1676-N1678 PolarHBondContact OG-ND2 3.05Å
1677	A	34.2	Very low	31.9	Very low	87.4 Å²	87.4	129.4 Å²	129.4	72%	0.722	72%	0.719	S	S	*	*			trans	102.2	111.2	135	0	0	0	0	0	113.4
1678	N	30.6	Very low	32.1	Very low	116.4 Å²	116.4	133.1 Å²	133.1	62%	0.622	73%	0.725	S	S	*	*				100.7	141.3	60.6	-147.3	-2.3	0	0	0	113.3	S1676 R1680	S1676-N1678 VanDerWaalsContact C-CB 3.45Å; S1676-N1678 PolarHBondContact OG-ND2 3.05Å; N1678-R1680 PolarHBondContact O-N 2.97Å; N1678-R1680 PolarHBondContact OD1-N 2.99Å
1679	N	31.5	Very low	32.1	Very low	138.4 Å²	138.4	133.1 Å²	133.1	74%	0.74	73%	0.727	S	S	*	*			trans	-81.8	99.8	144	-70.7	-49.8	0	0	0	114	S1681	N1679-S1681 PolarHBondContact O-N 3.29Å
1680	R	31.2	Very low	32.4	Very low	215.2 Å²	215.2	132.6 Å²	132.6	81%	0.812	73%	0.729	S	S	*	*				-116	113.2	127.2	-130.2	-179.1	179.1	-179.4	0.7	111.3	N1678 L1682	N1678-R1680 PolarHBondContact O-N 2.97Å; N1678-R1680 PolarHBondContact OD1-N 2.99Å; R1680-L1682 HydrophobicContact CB-CD1 4.44Å; R1680-L1682 HydrophobicContact CB-CG 4.32Å; R1680-L1682 HydrophobicContact CG-CD1 4.16Å; R1680-L1682 HydrophobicContact CG-CG 4.1Å; R1680-L1682 PolarHBondContact O-N 2.98Å
1681	S	33.1	Very low	32.5	Very low	99 Å²	99	133.9 Å²	133.9	69%	0.692	73%	0.727	S	S	*	*				16.4	131.9	119.7	-180	0	0	0	0	112.9	N1679	N1679-S1681 PolarHBondContact O-N 3.29Å
1682	L	30.1	Very low	32.8	Very low	122.4 Å²	122.4	132.5 Å²	132.5	64%	0.641	73%	0.725	S	S	*	*			trans	165.5	129.1	147.3	-79.2	172.8	0	0	0	112.1	R1680	R1680-L1682 HydrophobicContact CB-CD1 4.44Å; R1680-L1682 HydrophobicContact CB-CG 4.32Å; R1680-L1682 HydrophobicContact CG-CD1 4.16Å; R1680-L1682 HydrophobicContact CG-CG 4.1Å; R1680-L1682 PolarHBondContact O-N 2.98Å
1683	F	30.4	Very low	33	Very low	182 Å²	182	133.5 Å²	133.5	80%	0.798	73%	0.729	S	S	*	*			trans	56.3	120.1	155.3	-59.7	-78.4	0	0	0	120.8
1684	C	33.8	Very low	33.2	Very low	116.2 Å²	116.2	133.6 Å²	133.6	79%	0.785	73%	0.73	S	S	*	*				-4.6	156.7	125.2	-73.3	0	0	0	0	113.9
1685	P	36.2	Very low	33.8	Very low	110.2 Å²	110.2	136.9 Å²	136.9	72%	0.716	74%	0.736	S	S	*	*				-140	179	57.9	40.7	-25.8	0	0	0	114.7
1686	E	30.8	Very low	34	Very low	143.2 Å²	143.2	136.6 Å²	136.6	67%	0.669	73%	0.734	S	S	*	*			trans	46.7	133.4	145.5	-82.8	-172.8	123.8	0	0	121.4	K1688	E1686-K1688 VanDerWaalsContact C-N 3.33Å; E1686-K1688 HydrophobicContact CB-CG 4.34Å; E1686-K1688 PolarHBondContact O-N 2.96Å
1687	K	36.7	Very low	34.3	Very low	176.6 Å²	176.6	140.7 Å²	140.7	77%	0.768	74%	0.739	S	S	*	*				-68.8	128.7	99.4	-72.1	172.8	-172.6	173.4	0	113.6
1688	K	34.3	Very low	34.4	Very low	186.2 Å²	186.2	145.9 Å²	145.9	81%	0.81	75%	0.745	S	S	*	*			trans	-70.8	157.2	141.7	-74	179.1	179.5	178.8	0	112.7	E1686	E1686-K1688 VanDerWaalsContact C-N 3.33Å; E1686-K1688 HydrophobicContact CB-CG 4.34Å; E1686-K1688 PolarHBondContact O-N 2.96Å
1689	P	34	Very low	34.7	Very low	114.8 Å²	114.8	144.9 Å²	144.9	75%	0.745	75%	0.747	S	S	*	*				-122.8	164.4	75.3	38.8	-26.5	0	0	0	116.3
1690	V	34.6	Very low	35	Very low	133.6 Å²	133.6	143.9 Å²	143.9	81%	0.81	75%	0.746	S	S	*	*			trans	86.3	105	146.3	170.5	0	0	0	0	115.9
1691	S	35.6	Very low	35.3	Very low	98.4 Å²	98.4	143.3 Å²	143.3	69%	0.688	74%	0.744	S	S	*	*			trans	-19.6	147.2	149	141.7	0	0	0	0	114.8	H1693	S1691-H1693 PolarHBondContact OG-CD2 3.41Å; S1691-H1693 PolarHBondContact OG-CE1 2.65Å; S1691-H1693 VanDerWaalsContact OG-CE1 3.24Å; S1691-H1693 VanDerWaalsContact OG-CG 3.25Å; S1691-H1693 PolarHBondContact OG-N 2.97Å; S1691-H1693 PolarHBondContact OG-ND1 3.2Å; S1691-H1693 PolarHBondContact OG-NE2 3.34Å
1692	P	38.4	Very low	35.5	Very low	100 Å²	100	144.2 Å²	144.2	65%	0.649	74%	0.741	S	S	*	*				-131.2	159.5	75	25	-5.5	0	0	0	115.4
1693	H	35.4	Very low	36	Very low	169.6 Å²	169.6	147.4 Å²	147.4	79%	0.785	75%	0.75	S	S	*	*			trans	58.6	91.8	146.2	-60.9	-55.6	0	0	0	117.4	S1691	S1691-H1693 PolarHBondContact OG-CD2 3.41Å; S1691-H1693 PolarHBondContact OG-CE1 2.65Å; S1691-H1693 VanDerWaalsContact OG-CE1 3.24Å; S1691-H1693 VanDerWaalsContact OG-CG 3.25Å; S1691-H1693 PolarHBondContact OG-N 2.97Å; S1691-H1693 PolarHBondContact OG-ND1 3.2Å; S1691-H1693 PolarHBondContact OG-NE2 3.34Å
1694	S	34	Very low	36.5	Very low	97.6 Å²	97.6	147.3 Å²	147.3	68%	0.683	75%	0.749	S	S	*	*				65.2	135.7	104.2	72.2	0	0	0	0	115.9
1695	K	41.5	Very low	36.9	Very low	181.6 Å²	181.6	150.7 Å²	150.7	79%	0.79	75%	0.75	S	S	*	*				-174.1	122.3	116.2	-74.7	-178	-176.6	172	0	114.1	L1552	L1552-K1695 HydrophobicContact CD1-CD 3.91Å
1696	K	37.3	Very low	37	Very low	177.2 Å²	177.2	154.2 Å²	154.2	77%	0.77	75%	0.754	S	S	*	*			trans	44.3	134.3	144.8	-71.5	176	178.5	174	0	118.1	A1553 N1554	A1553-K1696 WeakPolarHBondContact O-CD 3.28Å; A1553-K1696 WeakPolarHBondContact O-CE 3.05Å; A1553-K1696 PolarHBondContact O-NZ 2.96Å; N1554-K1696 PolarHBondContact OD1-NZ 2.57Å
1697	K	36	Very low	37.4	Very low	188.2 Å²	188.2	153.2 Å²	153.2	82%	0.818	76%	0.758	S	S	*	*			trans	76.3	143.8	145	-81.3	178.3	174.7	-176.3	0	114.5	N1554	N1554-K1697 PolarHBondContact O-NZ 2.91Å
1698	K	37.7	Very low	37.5	Very low	198 Å²	198	151 Å²	151	86%	0.861	75%	0.753	S	S	*	*				115.5	133.3	123.2	-152.3	171	178.1	-174.8	0	112.3
1699	S	36.6	Very low	37.6	Very low	94.2 Å²	94.2	148.6 Å²	148.6	66%	0.659	75%	0.749	S	S	*	*			cis	-131.1	134.4	42.1	153.7	0	0	0	0	113.6
1700	V	37.7	Very low	37.7	Very low	118.4 Å²	118.4	147.6 Å²	147.6	72%	0.718	75%	0.745	S	S	*	*				51.5	118.9	124.9	179.5	0	0	0	0	117.3	D1702	V1700-D1702 WeakPolarHBondContact CG1-OD2 3.35Å
1701	R	37.9	Very low	38	Very low	201.8 Å²	201.8	150 Å²	150	76%	0.762	75%	0.747	S	S	*	*				122	119.2	119	-156.8	-174.2	-71.9	151.4	-0.7	115.9	F1703	R1701-F1703 HydrophobicContact CG-CD2 4.16Å; R1701-F1703 HydrophobicContact CG-CE2 3.76Å; R1701-F1703 HydrophobicContact CG-CZ 4.15Å
1702	D	36.9	Very low	38.1	Very low	118.6 Å²	118.6	152.5 Å²	152.5	63%	0.634	75%	0.753	S	S	*	*			trans	59.4	140	145.6	-56	-39.4	0	0	0	117	V1700	V1700-D1702 WeakPolarHBondContact CG1-OD2 3.35Å
1703	F	40.9	Very low	38	Very low	189.8 Å²	189.8	151.9 Å²	151.9	83%	0.832	75%	0.751	S	S	*	*				-155.1	138	58.5	-77.9	-64.2	0	0	0	114.1	R1701	R1701-F1703 HydrophobicContact CG-CD2 4.16Å; R1701-F1703 HydrophobicContact CG-CE2 3.76Å; R1701-F1703 HydrophobicContact CG-CZ 4.15Å
1704	K	40.1	Very low	38.4	Very low	179.2 Å²	179.2	150.6 Å²	150.6	78%	0.779	75%	0.75	S	S	*	*			trans	106.7	111	131.5	-166.3	178.2	178.1	-179.3	0	116.4	T1759 T1760	K1704-T1759 PolarHBondContact NZ-O 2.98Å; K1704-T1759 VanDerWaalsContact NZ-O 3.14Å; K1704-T1760 VanDerWaalsContact CE-CG2 3.49Å
1705	K	41.3	Very low	38.8	Very low	186.8 Å²	186.8	156.7 Å²	156.7	81%	0.812	76%	0.758	S	S	*	*			trans	-176.6	108.3	149.8	-150.5	-178.1	-178	-179	0	114.8	T1760	K1705-T1760 PolarHBondContact NZ-OG1 3.23Å; K1705-T1760 VanDerWaalsContact NZ-OG1 3.16Å
1706	K	38.8	Very low	38.6	Very low	184.2 Å²	184.2	155 Å²	155	80%	0.801	75%	0.753	S	S	*	*			trans	-167.2	136.3	154.3	-84.2	-159.6	172.8	-163.4	0	111.1	I1708	K1706-I1708 HydrophobicContact CB-CD1 3.99Å; K1706-I1708 HydrophobicContact CB-CG1 4.2Å; K1706-I1708 HydrophobicContact CD-CD1 4.29Å; K1706-I1708 HydrophobicContact CG-CD1 4.36Å; K1706-I1708 HydrophobicContact CG-CG1 4.46Å
1707	V	39.9	Very low	38.6	Very low	121.8 Å²	121.8	152.4 Å²	152.4	74%	0.738	76%	0.755	S	S	*	*				120.1	125.4	73.7	163.2	0	0	0	0	109.7
1708	I	39.4	Very low	38.5	Very low	130.6 Å²	130.6	149.4 Å²	149.4	67%	0.67	75%	0.748	S	S	*	*				90	125	81.9	-80.7	170.5	0	0	0	113	K1706	K1706-I1708 HydrophobicContact CB-CD1 3.99Å; K1706-I1708 HydrophobicContact CB-CG1 4.2Å; K1706-I1708 HydrophobicContact CD-CD1 4.29Å; K1706-I1708 HydrophobicContact CG-CD1 4.36Å; K1706-I1708 HydrophobicContact CG-CG1 4.46Å
1709	D	35.7	Very low	38.3	Very low	135.6 Å²	135.6	144.8 Å²	144.8	73%	0.725	74%	0.736	S	S	*	*			trans	96.3	159.1	135.3	-68.1	-28.2	0	0	0	114
1710	S	36.3	Very low	38.3	Very low	95.2 Å²	95.2	147.3 Å²	147.3	67%	0.666	74%	0.741	S	S	*	*			cis	-161.6	160.9	7.4	-44.4	0	0	0	0	111.5
1711	E	41	Very low	38	Very low	183.2 Å²	183.2	147.6 Å²	147.6	86%	0.856	74%	0.743	S	S	*	*			trans	110.2	130.6	148	73	-155	163.3	0	0	116.8
1712	D	36.5	Very low	37.7	Very low	150.4 Å²	150.4	142.8 Å²	142.8	80%	0.804	74%	0.74	S	S	*	*			trans	14.4	151.3	152.7	-98.2	-28.9	0	0	0	116.5
1713	S	37.3	Very low	37.5	Very low	87.4 Å²	87.4	141.6 Å²	141.6	61%	0.611	74%	0.741	S	S	*	*			cis	92.6	121.7	33.2	-117.9	0	0	0	0	115.1	W1715	S1713-W1715 VanDerWaalsContact O-CD1 3.26Å; S1713-W1715 PolarHBondContact O-NE1 2.83Å; S1713-W1715 PolarHBondContact OG-NE1 2.66Å; S1713-W1715 VanDerWaalsContact OG-NE1 3.11Å
1714	D	43.6	Very low	37.3	Very low	143.6 Å²	143.6	140.4 Å²	140.4	77%	0.768	74%	0.738	S	S	*	*			trans	174.5	109.2	145.9	-94.3	-16.7	0	0	0	116.4
1715	W	42.2	Very low	37.1	Very low	224.2 Å²	224.2	138.8 Å²	138.8	85%	0.849	73%	0.733	S	S	*	*			trans	110.1	88.3	153.4	-62.7	103.6	0	0	0	117	S1713	S1713-W1715 VanDerWaalsContact O-CD1 3.26Å; S1713-W1715 PolarHBondContact O-NE1 2.83Å; S1713-W1715 PolarHBondContact OG-NE1 2.66Å; S1713-W1715 VanDerWaalsContact OG-NE1 3.11Å
1716	E	38.5	Very low	36.8	Very low	146.6 Å²	146.6	136.5 Å²	136.5	69%	0.685	73%	0.725	S	S	*	*			trans	-25.3	141.2	153.5	-66.1	-147.8	135.8	0	0	115.4	N1718	E1716-N1718 VanDerWaalsContact C-N 3.31Å; E1716-N1718 PolarHBondContact O-N 2.98Å; E1716-N1718 VanDerWaalsContact O-N 3.11Å; E1716-N1718 PolarHBondContact OE2-ND2 3.07Å
1717	P	36.2	Very low	36.7	Very low	123.4 Å²	123.4	132.6 Å²	132.6	80%	0.801	72%	0.721	S	S	*	*			trans	-87.8	77.1	168.6	35.1	-32	0	0	0	112.1	T1719	P1717-T1719 PolarHBondContact O-N 3.15Å; P1717-T1719 VanDerWaalsContact O-N 3.08Å
1718	N	34.1	Very low	36.3	Very low	124.8 Å²	124.8	130.1 Å²	130.1	67%	0.667	72%	0.72	S	S	*	*			trans	-100.7	117.7	166.9	-90.6	-38	0	0	0	113	E1716	E1716-N1718 VanDerWaalsContact C-N 3.31Å; E1716-N1718 PolarHBondContact O-N 2.98Å; E1716-N1718 VanDerWaalsContact O-N 3.11Å; E1716-N1718 PolarHBondContact OE2-ND2 3.07Å
1719	T	34.6	Very low	36.1	Very low	101.4 Å²	101.4	132 Å²	132	62%	0.622	73%	0.726	S	S	*	*				48.7	124	107	60.8	0	0	0	0	115.2	P1717	P1717-T1719 PolarHBondContact O-N 3.15Å; P1717-T1719 VanDerWaalsContact O-N 3.08Å
1720	I	34.8	Very low	36.1	Very low	146.2 Å²	146.2	132 Å²	132	75%	0.75	73%	0.726	S	S	*	*			trans	101.3	113.6	138.8	-60.8	155.9	0	0	0	113.8
1721	T	32.4	Very low	36.2	Very low	125.4 Å²	125.4	134.5 Å²	134.5	77%	0.769	73%	0.73	S	S	*	*				-136.5	144.5	124.8	44.9	0	0	0	0	112.5
1722	S	32	Very low	36	Very low	101 Å²	101	132 Å²	132	71%	0.706	72%	0.723	S	S	*	*			trans	-133.2	136.7	152.3	-156.1	0	0	0	0	111.1
1723	S	33.1	Very low	36.2	Very low	93.6 Å²	93.6	130 Å²	130	66%	0.655	72%	0.719	S	S	*	*				67.7	132.1	116.8	58.4	0	0	0	0	116.1
1724	Q	35.4	Very low	36.3	Very low	164.6 Å²	164.6	132.7 Å²	132.7	77%	0.769	73%	0.726	S	S	*	*				129.9	120.7	96.2	-135.8	158.2	-40.7	0	0	116.4	N2115	Q1724-N2115 PolarHBondContact N-ND2 3.33Å
1725	H	35.4	Very low	35.9	Very low	144 Å²	144	131.1 Å²	131.1	67%	0.667	73%	0.726	S	S	*	*			trans	54.2	117.6	138	-70.5	-86.7	0	0	0	120.9	N2115 G2116	H1725-N2115 VanDerWaalsContact C-CB 3.42Å; H1725-N2115 VanDerWaalsContact C-CG 3.44Å; H1725-N2115 VanDerWaalsContact CA-CG 3.5Å; H1725-N2115 WeakPolarHBondContact CA-OD1 3.5Å; H1725-N2115 PolarHBondContact N-ND2 3.21Å; H1725-N2115 PolarHBondContact N-OD1 2.87Å; H1725-N2115 WeakPolarHBondContact O-CB 3.32Å; H1725-G2116 CarbonylContact O-C 3.34Å; H1725-G2116 PolarHBondContact O-N 2.79Å
1726	Q	35.2	Very low	35.8	Very low	139.4 Å²	139.4	125.4 Å²	125.4	65%	0.651	72%	0.721	S	S	*	*				120.2	159.8	104.1	-73.4	158.6	-63	0	0	117.2	S2114 N2115 G2116 I2117	Q1726-S2114 WeakPolarHBondContact O-CA 3.49Å; Q1726-N2115 VanDerWaalsContact C-C 3.43Å; Q1726-N2115 PolarHBondContact N-OD1 2.78Å; Q1726-N2115 VanDerWaalsContact O-CA 3.25Å; Q1726-N2115 WeakPolarHBondContact O-CA 3.41Å; Q1726-G2116 VanDerWaalsContact C-N 3.33Å; Q1726-G2116 VanDerWaalsContact CB-O 3.3Å; Q1726-G2116 WeakPolarHBondContact CB-O 3.27Å; Q1726-G2116 PolarHBondContact NE2-O 3.35Å; Q1726-I2117 HydrophobicContact CB-CG1 4.41Å; Q1726-I2117 HydrophobicContact CG-CG1 4.49Å
1727	S	36.3	Very low	36.1	Very low	102 Å²	102	123 Å²	123	71%	0.713	72%	0.72	S	S	*	*			trans	93.2	137.1	167.1	54.4	0	0	0	0	116.1	G2116 I2117 S2118	S1727-G2116 CarbonylContact O-C 3.3Å; S1727-G2116 WeakPolarHBondContact O-CA 3.41Å; S1727-I2117 CarbonylContact O-C 3.53Å; S1727-I2117 VanDerWaalsContact O-C 3.27Å; S1727-I2117 VanDerWaalsContact O-CA 3.29Å; S1727-I2117 WeakPolarHBondContact O-CA 3.45Å; S1727-I2117 PolarHBondContact O-N 2.88Å; S1727-S2118 CarbonylContact C-O 3.17Å; S1727-S2118 PolarHBondContact OG-N 2.83Å; S1727-S2118 VanDerWaalsContact OG-N 3.17Å; S1727-S2118 PolarHBondContact OG-O 3.18Å
1728	G	33.1	Very low	36.3	Very low	69.8 Å²	69.8	125 Å²	125	72%	0.72	72%	0.718	S	S	*	*			trans	156.9	133.7	139.3	0	0	0	0	0	111.8	S2118 A2119	G1728-S2118 PolarHBondContact N-O 2.76Å; G1728-A2119 WeakPolarHBondContact O-CB 3.17Å
1729	E	34	Very low	37	Very low	170.6 Å²	170.6	123.2 Å²	123.2	80%	0.797	72%	0.715	S	S	*	*			trans	92.7	127.8	135.4	-162.8	153.1	-142.7	0	0	114.2	A2119 T2120 K2121	E1729-A2119 HydrophobicContact CB-CB 3.75Å; E1729-A2119 VanDerWaalsContact CD-CB 3.47Å; E1729-A2119 HydrophobicContact CG-CB 3.83Å; E1729-A2119 WeakPolarHBondContact OE2-CA 3.46Å; E1729-A2119 WeakPolarHBondContact OE2-CB 3.24Å; E1729-T2120 WeakPolarHBondContact OE1-CA 3.26Å; E1729-T2120 PolarHBondContact OE1-N 3.32Å; E1729-T2120 PolarHBondContact OE1-OG1 3.16Å; E1729-T2120 PolarHBondContact OE2-N 3.39Å; E1729-T2120 PolarHBondContact OE2-OG1 3.48Å; E1729-K2121 PolarHBondContact OE1-N 2.8Å
1730	L	36.7	Very low	37.9	Very low	136.2 Å²	136.2	128.8 Å²	128.8	71%	0.713	73%	0.725	S	S	*	*			trans	-116.2	144.6	136.7	178.9	91.2	0	0	0	115.1	T2120 K2121 L2122	L1730-T2120 WeakPolarHBondContact CD1-OG1 3.4Å; L1730-K2121 WeakPolarHBondContact CA-O 3.38Å; L1730-K2121 HydrophobicContact CB-CB 3.59Å; L1730-K2121 HydrophobicContact CB-CG 4.28Å; L1730-K2121 WeakPolarHBondContact CB-O 3.29Å; L1730-K2121 HydrophobicContact CD1-CB 4.03Å; L1730-K2121 HydrophobicContact CD1-CD 3.59Å; L1730-K2121 HydrophobicContact CD1-CG 3.69Å; L1730-K2121 HydrophobicContact CG-CB 4.06Å; L1730-K2121 HydrophobicContact CG-CD 4.03Å; L1730-K2121 HydrophobicContact CG-CG 4.24Å; L1730-L2122 HydrophobicContact CB-CB 4.32Å
1731	L	37.8	Very low	38.8	Very low	146.2 Å²	146.2	132.5 Å²	132.5	77%	0.765	73%	0.731	S	S	*	*			trans	-107	145.7	161.5	-79.6	159.6	0	0	0	114.8	P1733 L2122	L1731-P1733 HydrophobicContact CD1-CB 4.44Å; L1731-P1733 HydrophobicContact CD1-CG 4.14Å; L1731-L2122 HydrophobicContact CB-CB 3.98Å; L1731-L2122 HydrophobicContact CB-CD1 4.1Å; L1731-L2122 HydrophobicContact CD1-CB 3.72Å; L1731-L2122 HydrophobicContact CD1-CD1 4.43Å; L1731-L2122 HydrophobicContact CD1-CG 4.48Å; L1731-L2122 WeakPolarHBondContact CD1-O 3.4Å; L1731-L2122 HydrophobicContact CG-CB 3.61Å
1732	D	36.7	Very low	40.9	Very low	130.8 Å²	130.8	129 Å²	129	70%	0.699	71%	0.706	S	S	*	*			trans	-113.1	135.7	152.2	-131.8	-23.3	0	0	0	112.6	D1734	D1732-D1734 VanDerWaalsContact C-N 3.27Å; D1732-D1734 PolarHBondContact O-N 3.26Å; D1732-D1734 PolarHBondContact OD1-N 3.18Å
1733	P	41.6	Very low	43.2	Very low	109.8 Å²	109.8	126.9 Å²	126.9	71%	0.713	69%	0.692	S	S	*	*			trans	-102.7	27.5	172.7	36.8	-31.9	0	0	0	115.8	L1731 S1735	L1731-P1733 HydrophobicContact CD1-CB 4.44Å; L1731-P1733 HydrophobicContact CD1-CG 4.14Å; P1733-S1735 VanDerWaalsContact C-N 3.26Å; P1733-S1735 PolarHBondContact O-N 2.92Å; P1733-S1735 VanDerWaalsContact O-N 3.14Å
1734	D	37.9	Very low	45.6	Very low	142.8 Å²	142.8	129.5 Å²	129.5	76%	0.764	70%	0.695	S	S	*	*			trans	-94.6	51.2	-178.2	-92.8	-34.1	0	0	0	113.6	D1732	D1732-D1734 VanDerWaalsContact C-N 3.27Å; D1732-D1734 PolarHBondContact O-N 3.26Å; D1732-D1734 PolarHBondContact OD1-N 3.18Å
1735	S	36.9	Very low	47.9	Very low	110.6 Å²	110.6	129.5 Å²	129.5	77%	0.773	69%	0.689	S	S	*	*			trans	-153.1	83.3	176.8	-72.9	0	0	0	0	112.2	P1733	P1733-S1735 VanDerWaalsContact C-N 3.26Å; P1733-S1735 PolarHBondContact O-N 2.92Å; P1733-S1735 VanDerWaalsContact O-N 3.14Å
1736	S	39.2	Very low	50.1	Low	104.4 Å²	104.4	125.2 Å²	125.2	73%	0.73	67%	0.672	S	S	*	*				170.2	94.6	73.6	76.6	0	0	0	0	112.7	E1738	S1736-E1738 PolarHBondContact O-N 2.96Å
1737	S	43.7	Very low	52.6	Low	96 Å²	96	123.6 Å²	123.6	67%	0.671	66%	0.662	S	S	*	*			trans	-104.8	58	163.4	54.5	0	0	0	0	114.2	S1739	S1737-S1739 PolarHBondContact O-N 3.1Å; S1737-S1739 VanDerWaalsContact O-N 3.12Å
1738	E	42.1	Very low	54.7	Low	164.4 Å²	164.4	123 Å²	123	77%	0.768	65%	0.65	S	S	*	*			trans	-129.1	83.1	154.5	-157.4	54.3	-116.9	0	0	112	S1736	S1736-E1738 PolarHBondContact O-N 2.96Å
1739	S	47.4	Very low	57.1	Low	87 Å²	87	125 Å²	125	61%	0.608	64%	0.639	S	S	*	*			trans	-155.7	89	139.4	100.8	0	0	0	0	112.4	S1737 Y1741	S1737-S1739 PolarHBondContact O-N 3.1Å; S1737-S1739 VanDerWaalsContact O-N 3.12Å; S1739-Y1741 PolarHBondContact O-N 3.1Å; S1739-Y1741 VanDerWaalsContact O-N 3.16Å
1740	R	53.6	Low	59.4	Low	219.8 Å²	219.8	123.7 Å²	123.7	83%	0.829	63%	0.627	S	S	*	*			trans	-92.2	1.9	-173.1	-142	176.4	-72.5	-158.3	-1.9	114.6	E1742	R1740-E1742 VanDerWaalsContact C-N 3.34Å; R1740-E1742 PolarHBondContact O-N 3.08Å
1741	Y	53.4	Low	61.4	Low	223.2 Å²	223.2	126.3 Å²	126.3	88%	0.875	63%	0.627	S	S	*	*			trans	-99.7	79.7	-178.9	-71	-78.9	0	0	0	112.8	S1739 S1743	S1739-Y1741 PolarHBondContact O-N 3.1Å; S1739-Y1741 VanDerWaalsContact O-N 3.16Å; Y1741-S1743 PolarHBondContact O-N 2.95Å
1742	E	77.9	Confident	63.2	Low	52.4 Å²	52.4	123.2 Å²	123.2	25%	0.245	62%	0.615	C	S	.	*			trans	-60.3	117.5	164.2	176.4	80.9	169.4	0	0	110	R1740 D1746 K1747 R1750	R1740-E1742 VanDerWaalsContact C-N 3.34Å; R1740-E1742 PolarHBondContact O-N 3.08Å; E1742-D1746 VanDerWaalsContact CD-CB 3.47Å; E1742-D1746 HydrophobicContact CG-CB 4.25Å; E1742-D1746 VanDerWaalsContact OE1-CB 3.29Å; E1742-D1746 WeakPolarHBondContact OE1-CB 3.29Å; E1742-K1747 HydrophobicContact CB-CG 4.33Å; E1742-K1747 HydrophobicContact CG-CB 4.46Å; E1742-K1747 HydrophobicContact CG-CD 4.26Å; E1742-K1747 HydrophobicContact CG-CG 3.55Å; E1742-K1747 VanDerWaalsContact CG-CG 3.44Å; E1742-K1747 VanDerWaalsContact O-CE 3.29Å; E1742-K1747 WeakPolarHBondContact O-CE 3.28Å; E1742-K1747 PolarHBondContact O-NZ 3.25Å; E1742-K1747 PolarHBondContact OE1-N 3.21Å; E1742-R1750 VanDerWaalsContact CD-NE 3.28Å; E1742-R1750 VanDerWaalsContact OE1-CD 3.3Å; E1742-R1750 WeakPolarHBondContact OE1-CD 3.38Å; E1742-R1750 WeakPolarHBondContact OE1-CG 3.3Å; E1742-R1750 IonicContact OE1-CZ 3.19Å; E1742-R1750 VanDerWaalsContact OE1-CZ 3.28Å; E1742-R1750 IonicContact OE1-NE 3.36Å; E1742-R1750 PolarHBondContact OE1-NE 3.06Å; E1742-R1750 IonicContact OE1-NH2 3.11Å; E1742-R1750 PolarHBondContact OE1-NH2 3.16Å; E1742-R1750 IonicContact OE2-CZ 3.04Å; E1742-R1750 IonicContact OE2-NE 3.3Å; E1742-R1750 PolarHBondContact OE2-NE 3.25Å; E1742-R1750 IonicContact OE2-NH2 2.68Å; E1742-R1750 PolarHBondContact OE2-NH2 3.22Å
1743	S	79	Confident	64.5	Low	57.6 Å²	57.6	121.6 Å²	121.6	40%	0.403	61%	0.606	S	S	.	*			trans	-57.9	153.2	177.8	-178.4	0	0	0	0	112	Y1741 Y1745 D1746 K1747	Y1741-S1743 PolarHBondContact O-N 2.95Å; S1743-Y1745 PolarHBondContact O-N 3.2Å; S1743-Y1745 VanDerWaalsContact O-N 3.16Å; S1743-Y1745 PolarHBondContact OG-N 3.25Å; S1743-Y1745 VanDerWaalsContact OG-N 3.16Å; S1743-D1746 VanDerWaalsContact CB-OD2 3.29Å; S1743-D1746 WeakPolarHBondContact CB-OD2 3.3Å; S1743-D1746 CarbonylContact O-C 3.51Å; S1743-D1746 PolarHBondContact O-N 3.11Å; S1743-K1747 WeakPolarHBondContact O-CB 3.43Å; S1743-K1747 VanDerWaalsContact O-CG 3.3Å; S1743-K1747 WeakPolarHBondContact O-CG 3.33Å; S1743-K1747 PolarHBondContact O-N 3.17Å
1744	M	84.7	Confident	65.5	Low	148 Å²	148	122.5 Å²	122.5	73%	0.729	60%	0.601	S	S	*	*	H	α-helix	trans	-59.2	-33.7	169.1	-146.4	-162.6	-56.4	0	0	111.2	D1746 K1747 I1748	M1744-D1746 PolarHBondContact O-N 3.42Å; M1744-K1747 WeakPolarHBondContact O-CB 3.35Å; M1744-K1747 PolarHBondContact O-N 3.05Å; M1744-I1748 HydrophobicContact CG-CD1 4.34Å; M1744-I1748 WeakPolarHBondContact O-CB 3.28Å; M1744-I1748 WeakPolarHBondContact O-CD1 3.36Å; M1744-I1748 VanDerWaalsContact O-CG1 3.26Å; M1744-I1748 WeakPolarHBondContact O-CG1 3.38Å; M1744-I1748 PolarHBondContact O-N 3.2Å
1745	Y	82.4	Confident	66.2	Low	163.6 Å²	163.6	120.4 Å²	120.4	64%	0.642	60%	0.597	S	S	*	*	H	α-helix	trans	-61.4	-45.1	174.6	-170.5	-101	0	0	0	111.7	S1743 I1748 K1749	S1743-Y1745 PolarHBondContact O-N 3.2Å; S1743-Y1745 VanDerWaalsContact O-N 3.16Å; S1743-Y1745 PolarHBondContact OG-N 3.25Å; S1743-Y1745 VanDerWaalsContact OG-N 3.16Å; Y1745-I1748 CarbonylContact O-C 3.5Å; Y1745-I1748 WeakPolarHBondContact O-CB 3.31Å; Y1745-I1748 PolarHBondContact O-N 3.03Å; Y1745-I1748 VanDerWaalsContact O-N 3.13Å; Y1745-K1749 HydrophobicContact CE1-CD 4.29Å; Y1745-K1749 VanDerWaalsContact O-CB 3.29Å; Y1745-K1749 WeakPolarHBondContact O-CB 3.42Å; Y1745-K1749 PolarHBondContact O-N 3.18Å
1746	D	83.3	Confident	66.9	Low	55.4 Å²	55.4	120.4 Å²	120.4	30%	0.296	59%	0.593	S	S	.	*	H	α-helix	trans	-74.3	-34.7	179.3	-61.2	-61	0	0	0	112.2	E1742 S1743 M1744 I1748 K1749 R1750	E1742-D1746 VanDerWaalsContact CD-CB 3.47Å; E1742-D1746 HydrophobicContact CG-CB 4.25Å; E1742-D1746 VanDerWaalsContact OE1-CB 3.29Å; E1742-D1746 WeakPolarHBondContact OE1-CB 3.29Å; S1743-D1746 VanDerWaalsContact CB-OD2 3.29Å; S1743-D1746 WeakPolarHBondContact CB-OD2 3.3Å; S1743-D1746 CarbonylContact O-C 3.51Å; S1743-D1746 PolarHBondContact O-N 3.11Å; M1744-D1746 PolarHBondContact O-N 3.42Å; D1746-I1748 VanDerWaalsContact C-N 3.29Å; D1746-I1748 PolarHBondContact O-N 3.1Å; D1746-K1749 CarbonylContact O-C 3.22Å; D1746-K1749 WeakPolarHBondContact O-CB 3.3Å; D1746-K1749 PolarHBondContact O-N 3.26Å; D1746-K1749 VanDerWaalsContact O-N 3.15Å; D1746-K1749 WeakPolarHBondContact OD1-CD 3.28Å; D1746-K1749 IonicContact OD1-NZ 3.06Å; D1746-K1749 PolarHBondContact OD1-NZ 2.98Å; D1746-R1750 VanDerWaalsContact O-CB 3.31Å; D1746-R1750 WeakPolarHBondContact O-CB 3.26Å; D1746-R1750 VanDerWaalsContact O-CG 3.3Å; D1746-R1750 WeakPolarHBondContact O-CG 3.33Å; D1746-R1750 PolarHBondContact O-N 3.05Å
1747	K	86.4	Confident	67.3	Low	104 Å²	104	118.6 Å²	118.6	45%	0.452	58%	0.584	S	S	.	*	H	α-helix	trans	-56.8	-41.6	167.3	-74.1	167.3	-177.7	156	0	111.8	E1742 S1743 M1744 R1751	E1742-K1747 HydrophobicContact CB-CG 4.33Å; E1742-K1747 HydrophobicContact CG-CB 4.46Å; E1742-K1747 HydrophobicContact CG-CD 4.26Å; E1742-K1747 HydrophobicContact CG-CG 3.55Å; E1742-K1747 VanDerWaalsContact CG-CG 3.44Å; E1742-K1747 VanDerWaalsContact O-CE 3.29Å; E1742-K1747 WeakPolarHBondContact O-CE 3.28Å; E1742-K1747 PolarHBondContact O-NZ 3.25Å; E1742-K1747 PolarHBondContact OE1-N 3.21Å; S1743-K1747 WeakPolarHBondContact O-CB 3.43Å; S1743-K1747 VanDerWaalsContact O-CG 3.3Å; S1743-K1747 WeakPolarHBondContact O-CG 3.33Å; S1743-K1747 PolarHBondContact O-N 3.17Å; M1744-K1747 WeakPolarHBondContact O-CB 3.35Å; M1744-K1747 PolarHBondContact O-N 3.05Å; K1747-R1751 VanDerWaalsContact O-CB 3.31Å; K1747-R1751 WeakPolarHBondContact O-CB 3.32Å; K1747-R1751 WeakPolarHBondContact O-CD 3.36Å; K1747-R1751 VanDerWaalsContact O-CG 3.25Å; K1747-R1751 WeakPolarHBondContact O-CG 3.28Å; K1747-R1751 PolarHBondContact O-N 3.22Å; K1747-R1751 VanDerWaalsContact O-N 3.1Å
1748	I	81.5	Confident	67.3	Low	90.8 Å²	90.8	122.7 Å²	122.7	47%	0.466	59%	0.59	S	S	.	*	H	α-helix	trans	-68.7	-47.3	175.2	-69.7	163.5	0	0	0	110.3	M1744 Y1745 D1746 R1750 R1751 T1752	M1744-I1748 HydrophobicContact CG-CD1 4.34Å; M1744-I1748 WeakPolarHBondContact O-CB 3.28Å; M1744-I1748 WeakPolarHBondContact O-CD1 3.36Å; M1744-I1748 VanDerWaalsContact O-CG1 3.26Å; M1744-I1748 WeakPolarHBondContact O-CG1 3.38Å; M1744-I1748 PolarHBondContact O-N 3.2Å; Y1745-I1748 CarbonylContact O-C 3.5Å; Y1745-I1748 WeakPolarHBondContact O-CB 3.31Å; Y1745-I1748 PolarHBondContact O-N 3.03Å; Y1745-I1748 VanDerWaalsContact O-N 3.13Å; D1746-I1748 VanDerWaalsContact C-N 3.29Å; D1746-I1748 PolarHBondContact O-N 3.1Å; I1748-R1750 VanDerWaalsContact C-N 3.33Å; I1748-R1750 PolarHBondContact O-N 3.14Å; I1748-R1751 CarbonylContact O-C 3.56Å; I1748-R1751 PolarHBondContact O-N 2.95Å; I1748-R1751 VanDerWaalsContact O-N 3.08Å; I1748-T1752 WeakPolarHBondContact O-CB 3.28Å; I1748-T1752 PolarHBondContact O-N 2.77Å; I1748-T1752 PolarHBondContact O-OG1 3.1Å; I1748-T1752 VanDerWaalsContact O-OG1 3.1Å
1749	K	83.2	Confident	67.3	Low	111.4 Å²	111.4	121.1 Å²	121.1	48%	0.484	59%	0.592	S	S	.	*	H	α-helix	trans	-58.2	-43.3	177.8	-167.4	178.1	178.4	-174.6	0	112	Y1745 D1746 T1752 N1753	Y1745-K1749 HydrophobicContact CE1-CD 4.29Å; Y1745-K1749 VanDerWaalsContact O-CB 3.29Å; Y1745-K1749 WeakPolarHBondContact O-CB 3.42Å; Y1745-K1749 PolarHBondContact O-N 3.18Å; D1746-K1749 CarbonylContact O-C 3.22Å; D1746-K1749 WeakPolarHBondContact O-CB 3.3Å; D1746-K1749 PolarHBondContact O-N 3.26Å; D1746-K1749 VanDerWaalsContact O-N 3.15Å; D1746-K1749 WeakPolarHBondContact OD1-CD 3.28Å; D1746-K1749 IonicContact OD1-NZ 3.06Å; D1746-K1749 PolarHBondContact OD1-NZ 2.98Å; K1749-T1752 PolarHBondContact O-N 3.43Å; K1749-N1753 VanDerWaalsContact O-CB 3.26Å; K1749-N1753 WeakPolarHBondContact O-CB 3.28Å; K1749-N1753 VanDerWaalsContact O-CG 3.25Å; K1749-N1753 PolarHBondContact O-N 3.08Å; K1749-N1753 VanDerWaalsContact O-N 3.15Å; K1749-N1753 PolarHBondContact O-ND2 3.11Å
1750	R	81.4	Confident	66.9	Low	143.6 Å²	143.6	122.1 Å²	122.1	54%	0.542	59%	0.594	S	S	.	*	H	α-helix	trans	-62.8	-48	172	-70.3	-163.7	-144.8	-166.1	3.8	111.4	E1742 D1746 I1748 T1752 N1753 Q1754	E1742-R1750 VanDerWaalsContact CD-NE 3.28Å; E1742-R1750 VanDerWaalsContact OE1-CD 3.3Å; E1742-R1750 WeakPolarHBondContact OE1-CD 3.38Å; E1742-R1750 WeakPolarHBondContact OE1-CG 3.3Å; E1742-R1750 IonicContact OE1-CZ 3.19Å; E1742-R1750 VanDerWaalsContact OE1-CZ 3.28Å; E1742-R1750 IonicContact OE1-NE 3.36Å; E1742-R1750 PolarHBondContact OE1-NE 3.06Å; E1742-R1750 IonicContact OE1-NH2 3.11Å; E1742-R1750 PolarHBondContact OE1-NH2 3.16Å; E1742-R1750 IonicContact OE2-CZ 3.04Å; E1742-R1750 IonicContact OE2-NE 3.3Å; E1742-R1750 PolarHBondContact OE2-NE 3.25Å; E1742-R1750 IonicContact OE2-NH2 2.68Å; E1742-R1750 PolarHBondContact OE2-NH2 3.22Å; D1746-R1750 VanDerWaalsContact O-CB 3.31Å; D1746-R1750 WeakPolarHBondContact O-CB 3.26Å; D1746-R1750 VanDerWaalsContact O-CG 3.3Å; D1746-R1750 WeakPolarHBondContact O-CG 3.33Å; D1746-R1750 PolarHBondContact O-N 3.05Å; I1748-R1750 VanDerWaalsContact C-N 3.33Å; I1748-R1750 PolarHBondContact O-N 3.14Å; R1750-T1752 VanDerWaalsContact C-N 3.34Å; R1750-T1752 PolarHBondContact O-N 3.06Å; R1750-N1753 CarbonylContact O-C 3.59Å; R1750-N1753 PolarHBondContact O-N 3.17Å; R1750-Q1754 VanDerWaalsContact O-CB 3.27Å; R1750-Q1754 WeakPolarHBondContact O-CB 3.39Å; R1750-Q1754 VanDerWaalsContact O-CG 3.29Å; R1750-Q1754 WeakPolarHBondContact O-CG 3.41Å; R1750-Q1754 PolarHBondContact O-N 2.98Å; R1750-Q1754 VanDerWaalsContact O-N 3.13Å
1751	R	79	Confident	66.2	Low	190 Å²	190	119.3 Å²	119.3	72%	0.717	60%	0.595	S	S	*	*	H	α-helix	trans	-61.9	-45.7	179.4	-77	171.5	176.5	-179.7	-1.8	112.5	K1747 I1748 N1753 Q1754 S1755	K1747-R1751 VanDerWaalsContact O-CB 3.31Å; K1747-R1751 WeakPolarHBondContact O-CB 3.32Å; K1747-R1751 WeakPolarHBondContact O-CD 3.36Å; K1747-R1751 VanDerWaalsContact O-CG 3.25Å; K1747-R1751 WeakPolarHBondContact O-CG 3.28Å; K1747-R1751 PolarHBondContact O-N 3.22Å; K1747-R1751 VanDerWaalsContact O-N 3.1Å; I1748-R1751 CarbonylContact O-C 3.56Å; I1748-R1751 PolarHBondContact O-N 2.95Å; I1748-R1751 VanDerWaalsContact O-N 3.08Å; R1751-N1753 PolarHBondContact O-N 2.98Å; R1751-Q1754 PolarHBondContact O-N 3.3Å; R1751-S1755 WeakPolarHBondContact O-CB 3.27Å; R1751-S1755 PolarHBondContact O-N 3.04Å
1752	T	75.2	Confident	65.4	Low	82.6 Å²	82.6	113.5 Å²	113.5	51%	0.507	59%	0.588	S	S	.	*	H	α-helix	trans	-66	-42.9	179.9	-53.1	0	0	0	0	111.4	I1748 K1749 R1750 S1755 T1756	I1748-T1752 WeakPolarHBondContact O-CB 3.28Å; I1748-T1752 PolarHBondContact O-N 2.77Å; I1748-T1752 PolarHBondContact O-OG1 3.1Å; I1748-T1752 VanDerWaalsContact O-OG1 3.1Å; K1749-T1752 PolarHBondContact O-N 3.43Å; R1750-T1752 VanDerWaalsContact C-N 3.34Å; R1750-T1752 PolarHBondContact O-N 3.06Å; T1752-S1755 VanDerWaalsContact O-CB 3.24Å; T1752-S1755 WeakPolarHBondContact O-CB 3.04Å; T1752-S1755 PolarHBondContact O-N 3.18Å; T1752-S1755 VanDerWaalsContact O-N 3.13Å; T1752-S1755 PolarHBondContact O-OG 3.06Å; T1752-T1756 PolarHBondContact O-OG1 2.98Å; T1752-T1756 VanDerWaalsContact O-OG1 3.05Å
1753	N	64.6	Low	63.4	Low	96.4 Å²	96.4	118.8 Å²	118.8	52%	0.516	62%	0.616	S	S	.	*	H	α-helix	trans	-77.1	-26.9	179.5	-68.2	-34	0	0	0	113.4	K1749 R1750 R1751 S1755 T1756 A1757	K1749-N1753 VanDerWaalsContact O-CB 3.26Å; K1749-N1753 WeakPolarHBondContact O-CB 3.28Å; K1749-N1753 VanDerWaalsContact O-CG 3.25Å; K1749-N1753 PolarHBondContact O-N 3.08Å; K1749-N1753 VanDerWaalsContact O-N 3.15Å; K1749-N1753 PolarHBondContact O-ND2 3.11Å; R1750-N1753 CarbonylContact O-C 3.59Å; R1750-N1753 PolarHBondContact O-N 3.17Å; R1751-N1753 PolarHBondContact O-N 2.98Å; N1753-S1755 VanDerWaalsContact C-N 3.34Å; N1753-S1755 PolarHBondContact O-N 3.45Å; N1753-T1756 PolarHBondContact O-N 3.24Å; N1753-T1756 PolarHBondContact O-OG1 3.29Å; N1753-T1756 VanDerWaalsContact O-OG1 3.1Å; N1753-A1757 VanDerWaalsContact O-CB 3.29Å; N1753-A1757 WeakPolarHBondContact O-CB 3.25Å; N1753-A1757 PolarHBondContact O-N 2.94Å
1754	Q	62	Low	61.6	Low	128.6 Å²	128.6	121.6 Å²	121.6	60%	0.601	63%	0.631	S	S	*	*	H	α-helix	trans	-78.2	-21.4	173.4	-74.9	-168.2	17.8	0	0	113.4	R1750 R1751 T1756 A1757 K1758	R1750-Q1754 VanDerWaalsContact O-CB 3.27Å; R1750-Q1754 WeakPolarHBondContact O-CB 3.39Å; R1750-Q1754 VanDerWaalsContact O-CG 3.29Å; R1750-Q1754 WeakPolarHBondContact O-CG 3.41Å; R1750-Q1754 PolarHBondContact O-N 2.98Å; R1750-Q1754 VanDerWaalsContact O-N 3.13Å; R1751-Q1754 PolarHBondContact O-N 3.3Å; Q1754-T1756 VanDerWaalsContact C-N 3.33Å; Q1754-T1756 PolarHBondContact O-N 3.15Å; Q1754-A1757 PolarHBondContact O-N 3.17Å; Q1754-K1758 HydrophobicContact CB-CD 4.48Å
1755	S	53.8	Low	59.4	Low	98 Å²	98	122.9 Å²	122.9	69%	0.685	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-18.6	176	144.5	0	0	0	0	113.8	R1751 T1752 N1753	R1751-S1755 WeakPolarHBondContact O-CB 3.27Å; R1751-S1755 PolarHBondContact O-N 3.04Å; T1752-S1755 VanDerWaalsContact O-CB 3.24Å; T1752-S1755 WeakPolarHBondContact O-CB 3.04Å; T1752-S1755 PolarHBondContact O-N 3.18Å; T1752-S1755 VanDerWaalsContact O-N 3.13Å; T1752-S1755 PolarHBondContact O-OG 3.06Å; N1753-S1755 VanDerWaalsContact C-N 3.34Å; N1753-S1755 PolarHBondContact O-N 3.45Å
1756	T	52.3	Low	57.5	Low	111 Å²	111	120.6 Å²	120.6	68%	0.681	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.9	-8.3	-173.3	49.9	0	0	0	0	114.8	T1752 N1753 Q1754	T1752-T1756 PolarHBondContact O-OG1 2.98Å; T1752-T1756 VanDerWaalsContact O-OG1 3.05Å; N1753-T1756 PolarHBondContact O-N 3.24Å; N1753-T1756 PolarHBondContact O-OG1 3.29Å; N1753-T1756 VanDerWaalsContact O-OG1 3.1Å; Q1754-T1756 VanDerWaalsContact C-N 3.33Å; Q1754-T1756 PolarHBondContact O-N 3.15Å
1757	A	46.5	Very low	55.5	Low	65.8 Å²	65.8	122 Å²	122	54%	0.544	64%	0.644	S	S	.	*	S	Bend	trans	-107.6	53	-171.5	0	0	0	0	0	115.2	N1753 Q1754	N1753-A1757 VanDerWaalsContact O-CB 3.29Å; N1753-A1757 WeakPolarHBondContact O-CB 3.25Å; N1753-A1757 PolarHBondContact O-N 2.94Å; Q1754-A1757 PolarHBondContact O-N 3.17Å
1758	K	44.6	Very low	53.6	Low	182.2 Å²	182.2	122 Å²	122	79%	0.792	65%	0.653	S	S	*	*			trans	-167.5	69.4	168.7	-74.3	178	177.8	177.1	0	115.5	Q1754	Q1754-K1758 HydrophobicContact CB-CD 4.48Å
1759	T	40.4	Very low	52	Low	132 Å²	132	124 Å²	124	81%	0.81	66%	0.664	S	S	*	*			trans	-116.8	87.3	166.4	-6.7	0	0	0	0	111.2	K1704	K1704-T1759 PolarHBondContact NZ-O 2.98Å; K1704-T1759 VanDerWaalsContact NZ-O 3.14Å
1760	T	40.5	Very low	50.4	Low	108 Å²	108	126.4 Å²	126.4	66%	0.663	67%	0.67	S	S	*	*			trans	-132.5	142.7	175.3	37.9	0	0	0	0	110.6	K1704 K1705	K1704-T1760 VanDerWaalsContact CE-CG2 3.49Å; K1705-T1760 PolarHBondContact NZ-OG1 3.23Å; K1705-T1760 VanDerWaalsContact NZ-OG1 3.16Å
1761	D	38.1	Very low	48.6	Very low	160 Å²	160	127.5 Å²	127.5	86%	0.856	67%	0.674	S	S	*	*			trans	57.4	93.6	168.4	-58	-33.1	0	0	0	117.1
1762	S	37.2	Very low	47.1	Very low	101.4 Å²	101.4	125.4 Å²	125.4	71%	0.709	68%	0.677	S	S	*	*				-164.5	115.3	113.7	178.1	0	0	0	0	112	V1764	S1762-V1764 VanDerWaalsContact C-N 3.33Å; S1762-V1764 PolarHBondContact O-N 2.92Å
1763	I	35.7	Very low	45.8	Very low	164.2 Å²	164.2	128.5 Å²	128.5	84%	0.842	69%	0.689	S	S	*	*			trans	-98.1	93.4	167.7	-66.9	169.7	0	0	0	111.4
1764	V	40.7	Very low	44.9	Very low	117.2 Å²	117.2	130.5 Å²	130.5	71%	0.71	69%	0.693	S	S	*	*			trans	-153.9	111.3	147.9	173.2	0	0	0	0	112.3	S1762	S1762-V1764 VanDerWaalsContact C-N 3.33Å; S1762-V1764 PolarHBondContact O-N 2.92Å
1765	K	39.6	Very low	43.9	Very low	174.8 Å²	174.8	131.5 Å²	131.5	76%	0.76	70%	0.703	S	S	*	*			trans	38.6	113.6	145.7	-75.7	168.2	-173.9	168.4	0	118	D1767 V1768	K1765-D1767 PolarHBondContact O-N 2.95Å; K1765-D1767 VanDerWaalsContact O-N 3.09Å; K1765-V1768 PolarHBondContact O-N 3.32Å
1766	P	42.2	Very low	43	Very low	114.2 Å²	114.2	136.6 Å²	136.6	74%	0.742	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	34.3	174.1	22.1	-17.5	0	0	0	114.6	V1768 L1769 R1770	P1766-V1768 VanDerWaalsContact C-N 3.25Å; P1766-V1768 PolarHBondContact O-N 3.05Å; P1766-L1769 PolarHBondContact O-N 3.11Å; P1766-R1770 WeakPolarHBondContact O-CB 3.48Å; P1766-R1770 PolarHBondContact O-N 2.68Å; P1766-R1770 VanDerWaalsContact O-N 3.15Å
1767	D	40.5	Very low	42.2	Very low	85 Å²	85	135.8 Å²	135.8	46%	0.455	71%	0.712	S	S	.	*	H	α-helix	trans	-101.9	-11.3	177	-122.4	-8.1	0	0	0	115.6	K1765 R1770 R1771	K1765-D1767 PolarHBondContact O-N 2.95Å; K1765-D1767 VanDerWaalsContact O-N 3.09Å; D1767-R1770 WeakPolarHBondContact O-CB 3.39Å; D1767-R1770 PolarHBondContact O-N 3.04Å; D1767-R1770 VanDerWaalsContact OD1-CD 3.24Å; D1767-R1770 WeakPolarHBondContact OD1-CD 3.21Å; D1767-R1770 IonicContact OD1-NE 3.75Å; D1767-R1770 IonicContact OD1-NH1 3.55Å; D1767-R1771 WeakPolarHBondContact O-CB 3.46Å; D1767-R1771 WeakPolarHBondContact O-CD 3.33Å; D1767-R1771 WeakPolarHBondContact O-CG 3.49Å; D1767-R1771 PolarHBondContact O-N 3.24Å; D1767-R1771 VanDerWaalsContact O-N 3.1Å; D1767-R1771 PolarHBondContact O-NH1 2.86Å; D1767-R1771 IonicContact OD1-NH1 2.89Å; D1767-R1771 IonicContact OD2-CZ 2.64Å; D1767-R1771 IonicContact OD2-NH1 3.1Å; D1767-R1771 PolarHBondContact OD2-NH1 3.1Å; D1767-R1771 VanDerWaalsContact OD2-NH1 3.1Å; D1767-R1771 IonicContact OD2-NH2 3.23Å; D1767-R1771 PolarHBondContact OD2-NH2 2.84Å; D1767-R1771 VanDerWaalsContact OD2-NH2 3.14Å
1768	V	46.7	Very low	41.9	Very low	104.6 Å²	104.6	141.7 Å²	141.7	63%	0.634	73%	0.725	S	S	*	*	H	α-helix	trans	-74.2	-43.5	178.3	-176.6	0	0	0	0	111.8	K1765 P1766 R1770 R1771 L1772	K1765-V1768 PolarHBondContact O-N 3.32Å; P1766-V1768 VanDerWaalsContact C-N 3.25Å; P1766-V1768 PolarHBondContact O-N 3.05Å; V1768-R1770 VanDerWaalsContact C-N 3.33Å; V1768-R1770 PolarHBondContact O-N 3.18Å; V1768-R1771 CarbonylContact O-C 3.58Å; V1768-R1771 WeakPolarHBondContact O-CA 3.41Å; V1768-R1771 WeakPolarHBondContact O-CB 3.31Å; V1768-R1771 PolarHBondContact O-N 3.25Å; V1768-R1771 VanDerWaalsContact O-N 3.11Å; V1768-L1772 PolarHBondContact O-N 2.88Å
1769	L	48	Very low	41.5	Very low	133.8 Å²	133.8	141.3 Å²	141.3	70%	0.701	73%	0.726	S	S	*	*	H	α-helix	trans	-61.5	-28.8	173.6	-81.2	164.3	0	0	0	112.4	P1766 R1771 L1772 L1773	P1766-L1769 PolarHBondContact O-N 3.11Å; L1769-R1771 VanDerWaalsContact C-N 3.3Å; L1769-R1771 PolarHBondContact O-N 2.93Å; L1769-L1772 HydrophobicContact CD2-CD2 4.26Å; L1769-L1772 PolarHBondContact O-N 2.92Å; L1769-L1773 WeakPolarHBondContact O-CB 3.34Å; L1769-L1773 PolarHBondContact O-N 3.02Å; L1769-L1773 VanDerWaalsContact O-N 3.15Å
1770	R	48.5	Very low	41.6	Very low	160.6 Å²	160.6	140 Å²	140	61%	0.606	72%	0.72	S	S	*	*	H	α-helix	trans	-76.6	-15.4	177.1	-160.8	175.7	178.2	171.7	-1	113.9	P1766 D1767 V1768 K1774	P1766-R1770 WeakPolarHBondContact O-CB 3.48Å; P1766-R1770 PolarHBondContact O-N 2.68Å; P1766-R1770 VanDerWaalsContact O-N 3.15Å; D1767-R1770 WeakPolarHBondContact O-CB 3.39Å; D1767-R1770 PolarHBondContact O-N 3.04Å; D1767-R1770 VanDerWaalsContact OD1-CD 3.24Å; D1767-R1770 WeakPolarHBondContact OD1-CD 3.21Å; D1767-R1770 IonicContact OD1-NE 3.75Å; D1767-R1770 IonicContact OD1-NH1 3.55Å; V1768-R1770 VanDerWaalsContact C-N 3.33Å; V1768-R1770 PolarHBondContact O-N 3.18Å; R1770-K1774 HydrophobicContact CG-CD 4.42Å; R1770-K1774 WeakPolarHBondContact O-CB 3.38Å; R1770-K1774 VanDerWaalsContact O-CG 3.24Å; R1770-K1774 WeakPolarHBondContact O-CG 3.33Å
1771	R	44.8	Very low	41.5	Very low	166.8 Å²	166.8	143.9 Å²	143.9	63%	0.629	73%	0.727	S	S	*	*	H	α-helix	trans	-87.3	-39.9	171.6	-75.1	-176.1	178.4	109.4	4.8	112.8	D1767 V1768 L1769 L1773 K1774 N1775	D1767-R1771 WeakPolarHBondContact O-CB 3.46Å; D1767-R1771 WeakPolarHBondContact O-CD 3.33Å; D1767-R1771 WeakPolarHBondContact O-CG 3.49Å; D1767-R1771 PolarHBondContact O-N 3.24Å; D1767-R1771 VanDerWaalsContact O-N 3.1Å; D1767-R1771 PolarHBondContact O-NH1 2.86Å; D1767-R1771 IonicContact OD1-NH1 2.89Å; D1767-R1771 IonicContact OD2-CZ 2.64Å; D1767-R1771 IonicContact OD2-NH1 3.1Å; D1767-R1771 PolarHBondContact OD2-NH1 3.1Å; D1767-R1771 VanDerWaalsContact OD2-NH1 3.1Å; D1767-R1771 IonicContact OD2-NH2 3.23Å; D1767-R1771 PolarHBondContact OD2-NH2 2.84Å; D1767-R1771 VanDerWaalsContact OD2-NH2 3.14Å; V1768-R1771 CarbonylContact O-C 3.58Å; V1768-R1771 WeakPolarHBondContact O-CA 3.41Å; V1768-R1771 WeakPolarHBondContact O-CB 3.31Å; V1768-R1771 PolarHBondContact O-N 3.25Å; V1768-R1771 VanDerWaalsContact O-N 3.11Å; L1769-R1771 VanDerWaalsContact C-N 3.3Å; L1769-R1771 PolarHBondContact O-N 2.93Å; R1771-L1773 VanDerWaalsContact C-N 3.31Å; R1771-L1773 PolarHBondContact O-N 3.06Å; R1771-K1774 CarbonylContact O-C 3.54Å; R1771-K1774 PolarHBondContact O-N 2.98Å; R1771-K1774 VanDerWaalsContact O-N 3.11Å; R1771-N1775 WeakPolarHBondContact O-CB 3.27Å; R1771-N1775 VanDerWaalsContact O-CG 3.3Å; R1771-N1775 PolarHBondContact O-N 3.13Å; R1771-N1775 PolarHBondContact O-OD1 3.3Å
1772	L	46.8	Very low	41.5	Very low	146.4 Å²	146.4	145.8 Å²	145.8	77%	0.766	73%	0.728	S	S	*	*	H	α-helix	trans	-66.6	-33	-178.2	-163	63.8	0	0	0	112.4	V1768 L1769 K1774 N1775	V1768-L1772 PolarHBondContact O-N 2.88Å; L1769-L1772 HydrophobicContact CD2-CD2 4.26Å; L1769-L1772 PolarHBondContact O-N 2.92Å; L1772-K1774 PolarHBondContact O-N 3.16Å; L1772-K1774 VanDerWaalsContact O-N 3.1Å; L1772-N1775 PolarHBondContact O-N 2.75Å
1773	L	48.5	Very low	41.7	Very low	148 Å²	148	146.5 Å²	146.5	78%	0.775	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	2.3	177.4	-80.5	157	0	0	0	114.7	L1769 R1771	L1769-L1773 WeakPolarHBondContact O-CB 3.34Å; L1769-L1773 PolarHBondContact O-N 3.02Å; L1769-L1773 VanDerWaalsContact O-N 3.15Å; R1771-L1773 VanDerWaalsContact C-N 3.31Å; R1771-L1773 PolarHBondContact O-N 3.06Å
1774	K	46.1	Very low	41.7	Very low	138.4 Å²	138.4	145.9 Å²	145.9	60%	0.602	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	6.8	-179.5	-79.1	-165.4	169	-165.4	0	115.7	R1770 R1771 L1772 K1776	R1770-K1774 HydrophobicContact CG-CD 4.42Å; R1770-K1774 WeakPolarHBondContact O-CB 3.38Å; R1770-K1774 VanDerWaalsContact O-CG 3.24Å; R1770-K1774 WeakPolarHBondContact O-CG 3.33Å; R1771-K1774 CarbonylContact O-C 3.54Å; R1771-K1774 PolarHBondContact O-N 2.98Å; R1771-K1774 VanDerWaalsContact O-N 3.11Å; L1772-K1774 PolarHBondContact O-N 3.16Å; L1772-K1774 VanDerWaalsContact O-N 3.1Å; K1774-K1776 VanDerWaalsContact C-N 3.27Å; K1774-K1776 PolarHBondContact O-N 3.12Å
1775	N	40.7	Very low	41.7	Very low	148.2 Å²	148.2	144.2 Å²	144.2	79%	0.793	72%	0.722	S	S	*	*			trans	-104.6	38.5	171.7	-81.5	0.6	0	0	0	113.3	R1771 L1772 S1777	R1771-N1775 WeakPolarHBondContact O-CB 3.27Å; R1771-N1775 VanDerWaalsContact O-CG 3.3Å; R1771-N1775 PolarHBondContact O-N 3.13Å; R1771-N1775 PolarHBondContact O-OD1 3.3Å; L1772-N1775 PolarHBondContact O-N 2.75Å; N1775-S1777 PolarHBondContact O-N 3.01Å
1776	K	34.8	Very low	41.6	Very low	206 Å²	206	143.9 Å²	143.9	90%	0.896	72%	0.723	S	S	*	*			trans	-76.7	92.6	160.2	-81.7	-111.2	-178.5	179.8	0	110.1	K1774	K1774-K1776 VanDerWaalsContact C-N 3.27Å; K1774-K1776 PolarHBondContact O-N 3.12Å
1777	S	34.2	Very low	41.5	Very low	94.8 Å²	94.8	147.7 Å²	147.7	66%	0.663	73%	0.728	S	S	*	*			trans	-160	126.6	157.3	165.1	0	0	0	0	112.1	N1775 E1779	N1775-S1777 PolarHBondContact O-N 3.01Å; S1777-E1779 PolarHBondContact O-N 2.85Å
1778	K	41.9	Very low	41.2	Very low	189.8 Å²	189.8	148.6 Å²	148.6	83%	0.825	74%	0.741	S	S	*	*			trans	66.9	118.2	158.2	-63.3	168.8	-175.3	-177.7	0	114.9
1779	E	35.4	Very low	40.9	Very low	173.8 Å²	173.8	150.5 Å²	150.5	81%	0.812	75%	0.747	S	S	*	*				2.5	142.7	83.9	-164.9	-176.5	179.1	0	0	114.7	S1777	S1777-E1779 PolarHBondContact O-N 2.85Å
1780	P	41.6	Very low	40.4	Very low	104.2 Å²	104.2	149.5 Å²	149.5	68%	0.677	75%	0.746	S	S	*	*			cis	-137.6	151.9	47.3	28.9	-8	0	0	0	116.1
1781	K	39.6	Very low	39.8	Very low	190 Å²	190	148.3 Å²	148.3	83%	0.826	75%	0.752	S	S	*	*			trans	98.2	118.3	146.3	-75.3	177.2	179.1	-180	0	117
1782	K	37.8	Very low	39.5	Very low	198.8 Å²	198.8	145.2 Å²	145.2	86%	0.864	76%	0.755	S	S	*	*			trans	0.5	156	135.5	-65.5	-175.3	176.5	-174.4	0	116.9
1783	P	42.1	Very low	39.4	Very low	116 Å²	116	145.1 Å²	145.1	75%	0.753	76%	0.756	S	S	*	*			cis	-120.8	178.2	-37.6	39.8	-28.6	0	0	0	113.1
1784	N	35.7	Very low	39.2	Very low	151.6 Å²	151.6	143.6 Å²	143.6	81%	0.811	75%	0.753	S	S	*	*			trans	-175.5	143.6	160.6	-119	10.5	0	0	0	112.2
1785	S	39.1	Very low	39.2	Very low	83.4 Å²	83.4	143.7 Å²	143.7	58%	0.583	76%	0.76	S	S	*	*			cis	-176.9	142.2	-0.6	58.1	0	0	0	0	114.5
1786	H	39	Very low	39.6	Very low	168 Å²	168	144.4 Å²	144.4	78%	0.778	76%	0.759	S	S	*	*			trans	48.1	132.9	161.4	-58.4	-68.9	0	0	0	117.2
1787	K	40.6	Very low	40.1	Very low	193 Å²	193	139.6 Å²	139.6	84%	0.839	75%	0.75	S	S	*	*			cis	-170.3	151.7	48.6	-92.7	170.8	-176.5	-175.3	0	110.6
1788	S	34.2	Very low	40.4	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	76%	0.76	S	S	*	*			trans	-36.2	143.5	170.9	46.1	0	0	0	0	115.6
1789	L	38.8	Very low	40.4	Very low	144 Å²	144	139.2 Å²	139.2	75%	0.754	76%	0.757	S	S	*	*				158.3	139.5	110.3	-125.9	74.2	0	0	0	111.1
1790	V	38.6	Very low	40.6	Very low	114.2 Å²	114.2	138.6 Å²	138.6	69%	0.692	76%	0.759	S	S	*	*			trans	63	132.9	141.2	162.2	0	0	0	0	111.6
1791	D	35.9	Very low	40.7	Very low	134.4 Å²	134.4	136.9 Å²	136.9	72%	0.719	76%	0.761	S	S	*	*				134.9	167.2	59.2	-140.6	-13.9	0	0	0	116
1792	S	38.7	Very low	40.5	Very low	101.4 Å²	101.4	132.6 Å²	132.6	71%	0.709	75%	0.754	S	S	*	*			trans	75.7	144.8	-176	-56.4	0	0	0	0	113.4
1793	D	43.9	Very low	40.5	Very low	145.6 Å²	145.6	127 Å²	127	78%	0.779	74%	0.74	S	S	*	*				72.3	132.5	53.8	-134.2	22.2	0	0	0	113.2
1794	T	43.8	Very low	40.4	Very low	117 Å²	117	127.3 Å²	127.3	72%	0.718	73%	0.734	S	S	*	*				-152.7	153.5	52.3	32.3	0	0	0	0	111.5
1795	D	47.4	Very low	40.7	Very low	139.6 Å²	139.6	127.6 Å²	127.6	75%	0.747	73%	0.731	S	S	*	*				63.2	157	89.9	-106.8	-29.1	0	0	0	112.4
1796	E	49.6	Very low	40.7	Very low	163.4 Å²	163.4	128.8 Å²	128.8	76%	0.764	74%	0.739	S	S	*	*				166.1	148	129.3	-64.7	-139.4	166.6	0	0	114.2
1797	C	44.1	Very low	40.7	Very low	105.6 Å²	105.6	124.2 Å²	124.2	71%	0.714	74%	0.737	S	S	*	*			trans	59	135.4	130.4	-80.8	0	0	0	0	115.4
1798	L	40.9	Very low	40.6	Very low	166.8 Å²	166.8	122.4 Å²	122.4	87%	0.873	74%	0.737	S	S	*	*				-115.5	150.2	127	-70.6	170.1	0	0	0	111.3
1799	S	42.7	Very low	40.8	Very low	107.6 Å²	107.6	123 Å²	123	75%	0.752	74%	0.736	S	S	*	*			trans	-159.3	133.3	156.8	-68	0	0	0	0	113.7
1800	D	38.7	Very low	40.9	Very low	161.6 Å²	161.6	120.9 Å²	120.9	86%	0.864	73%	0.733	S	S	*	*			trans	-68.7	141.2	135.7	-68.2	-37.4	0	0	0	112.8
1801	G	43.8	Very low	40.8	Very low	69.6 Å²	69.6	122.7 Å²	122.7	72%	0.718	74%	0.739	S	S	*	*			trans	155.2	0	164.9	0	0	0	0	0	112.1	S1803	G1801-S1803 PolarHBondContact O-N 3.15Å
1802	S	35.7	Very low	41.1	Very low	98.2 Å²	98.2	121.6 Å²	121.6	69%	0.687	74%	0.739	S	S	*	*				0	132.4	0	110.5	0	0	0	0	112.2
1803	S	38	Very low	41	Very low	81.4 Å²	81.4	120.8 Å²	120.8	57%	0.569	74%	0.738	S	S	*	*				172.6	119.7	117.1	167.2	0	0	0	0	114.6	G1801 G2245	G1801-S1803 PolarHBondContact O-N 3.15Å; S1803-G2245 VanDerWaalsContact CB-O 3.24Å; S1803-G2245 WeakPolarHBondContact CB-O 3.32Å; S1803-G2245 CarbonylContact O-C 3.58Å; S1803-G2245 WeakPolarHBondContact O-CA 3.39Å; S1803-G2245 PolarHBondContact OG-O 3.44Å
1804	I	38.7	Very low	40.7	Very low	122.4 Å²	122.4	119.1 Å²	119.1	63%	0.628	73%	0.733	S	S	*	*			trans	19.9	146.2	135.2	43.5	176.3	0	0	0	117.7	G2245 T2246 P2248	I1804-G2245 CarbonylContact O-C 3.31Å; I1804-G2245 VanDerWaalsContact O-CA 3.27Å; I1804-G2245 WeakPolarHBondContact O-CA 3.44Å; I1804-T2246 CarbonylContact C-O 3.17Å; I1804-T2246 WeakPolarHBondContact CB-O 3.35Å; I1804-T2246 WeakPolarHBondContact CG1-O 3.42Å; I1804-T2246 PolarHBondContact O-N 2.96Å; I1804-T2246 VanDerWaalsContact O-O 3.09Å; I1804-T2246 PolarHBondContact O-OG1 3.11Å; I1804-P2248 WeakPolarHBondContact CD1-O 3.45Å
1805	H	42.8	Very low	40.3	Very low	158.2 Å²	158.2	120.9 Å²	120.9	73%	0.732	73%	0.732	S	S	*	*				133.9	129.4	120.8	-100.3	-27.9	0	0	0	114.6	T2246 V2247 P2248	H1805-T2246 WeakPolarHBondContact CB-O 3.26Å; H1805-T2246 PolarHBondContact N-O 2.6Å; H1805-T2246 PolarHBondContact N-OG1 2.74Å; H1805-V2247 WeakPolarHBondContact CB-O 3.31Å; H1805-V2247 PolarHBondContact CD2-O 2.88Å; H1805-P2248 WeakPolarHBondContact CD2-CD 3.44Å
1806	S	39.7	Very low	39.9	Very low	108.8 Å²	108.8	124.1 Å²	124.1	76%	0.761	73%	0.733	S	S	*	*				-105.8	138.9	120.4	21.9	0	0	0	0	112.7
1807	G	39.3	Very low	39.3	Very low	71.6 Å²	71.6	121.5 Å²	121.5	74%	0.738	73%	0.729	S	S	*	*				155.1	111.8	125.3	0	0	0	0	0	111.7
1808	D	37.9	Very low	39	Very low	155 Å²	155	121.8 Å²	121.8	83%	0.829	73%	0.727	S	S	*	*			trans	97.8	149.3	140.9	-142.1	7.8	0	0	0	115.7
1809	V	37.4	Very low	38.7	Very low	115.6 Å²	115.6	122.8 Å²	122.8	70%	0.701	73%	0.725	S	S	*	*			trans	74.8	119.7	156.3	180	0	0	0	0	115.4
1810	S	41.7	Very low	38.4	Very low	101.2 Å²	101.2	123.2 Å²	123.2	71%	0.708	72%	0.722	S	S	*	*			trans	104.2	123.2	131	63.4	0	0	0	0	117.3
1811	N	36.6	Very low	38.2	Very low	151.2 Å²	151.2	123 Å²	123	81%	0.809	72%	0.721	S	S	*	*				-85.4	150.9	127.5	-99.5	-49	0	0	0	110.7
1812	P	41.4	Very low	37.7	Very low	111.6 Å²	111.6	124.7 Å²	124.7	73%	0.725	72%	0.723	S	S	*	*			trans	-129.9	137.1	134.4	36.9	-18.4	0	0	0	115.7
1813	A	37.1	Very low	37.7	Very low	83.8 Å²	83.8	127.5 Å²	127.5	69%	0.693	73%	0.729	S	S	*	*			trans	-122	141.6	154	0	0	0	0	0	113.4
1814	T	36.8	Very low	37.5	Very low	110 Å²	110	128.1 Å²	128.1	68%	0.675	73%	0.733	S	S	*	*				160.7	0	117.5	-67	0	0	0	0	113.3	D2222	T1814-D2222 WeakPolarHBondContact CB-OD2 3.43Å; T1814-D2222 VanDerWaalsContact CG2-OD2 3.24Å; T1814-D2222 WeakPolarHBondContact CG2-OD2 3.29Å; T1814-D2222 PolarHBondContact OG1-OD2 3.19Å
1815	K	37	Very low	37.3	Very low	156.4 Å²	156.4	128.9 Å²	128.9	68%	0.68	74%	0.739	S	S	*	*				0	134.9	0	-67.4	-177.9	-164.1	123.6	0	117	D2221 D2222 L2223	K1815-D2221 HydrophobicContact CB-CB 4.1Å; K1815-D2221 WeakPolarHBondContact CB-O 3.45Å; K1815-D2221 HydrophobicContact CD-CB 4.15Å; K1815-D2221 HydrophobicContact CG-CB 4.5Å; K1815-D2221 WeakPolarHBondContact CG-O 3.43Å; K1815-D2221 PolarHBondContact N-O 3.12Å; K1815-D2221 PolarHBondContact NZ-O 3.45Å; K1815-D2221 IonicContact NZ-OD2 3.95Å; K1815-D2221 PolarHBondContact NZ-OD2 2.83Å; K1815-D2222 VanDerWaalsContact NZ-N 3.15Å; K1815-D2222 PolarHBondContact NZ-O 2.93Å; K1815-L2223 WeakPolarHBondContact CE-O 3.45Å; K1815-L2223 PolarHBondContact NZ-O 3.4Å
1816	R	37.8	Very low	36.9	Very low	205.2 Å²	205.2	129.1 Å²	129.1	77%	0.774	74%	0.74	S	S	*	*				103.2	133	127.4	-87.5	177	-178.2	160.8	1.7	115.8	D2220 D2221	R1816-D2220 WeakPolarHBondContact CD-O 3.46Å; R1816-D2220 PolarHBondContact NH1-O 2.87Å; R1816-D2221 HydrophobicContact CG-CB 3.99Å; R1816-D2221 VanDerWaalsContact CZ-CB 3.4Å; R1816-D2221 IonicContact CZ-OD1 2.72Å; R1816-D2221 IonicContact CZ-OD2 3.49Å; R1816-D2221 IonicContact NH1-OD1 3.64Å; R1816-D2221 PolarHBondContact NH1-OD1 3.14Å; R1816-D2221 IonicContact NH2-OD1 3.04Å; R1816-D2221 PolarHBondContact NH2-OD1 3.41Å; R1816-D2221 IonicContact NH2-OD2 3.36Å; R1816-D2221 PolarHBondContact NH2-OD2 2.71Å
1817	T	36.6	Very low	36.9	Very low	109.8 Å²	109.8	131.1 Å²	131.1	67%	0.674	74%	0.74	S	S	*	*				177.9	129.3	91.5	41.5	0	0	0	0	115.4
1818	T	38.5	Very low	36.7	Very low	111.6 Å²	111.6	131.4 Å²	131.4	69%	0.685	74%	0.736	S	S	*	*			trans	63.1	121.8	135.3	59.9	0	0	0	0	119.9
1819	K	34.2	Very low	36.7	Very low	189 Å²	189	128.8 Å²	128.8	82%	0.822	73%	0.73	S	S	*	*				98.3	126.1	128.5	-78.8	174.3	-177.7	178.2	0	112.8
1820	T	36.3	Very low	36.8	Very low	114.4 Å²	114.4	132.5 Å²	132.5	70%	0.702	74%	0.737	S	S	*	*				129.9	0	62.2	39.8	0	0	0	0	112	S1822	T1820-S1822 PolarHBondContact O-N 3.4Å
1821	N	34.3	Very low	36.4	Very low	157.6 Å²	157.6	132.8 Å²	132.8	84%	0.843	74%	0.739	S	S	*	*				0	128.6	0	-63.1	-21.2	0	0	0	114.2
1822	S	34.4	Very low	36.5	Very low	106.6 Å²	106.6	131.1 Å²	131.1	75%	0.745	73%	0.734	S	S	*	*			trans	-162.1	0	156.9	1.9	0	0	0	0	111.6	T1820	T1820-S1822 PolarHBondContact O-N 3.4Å
1823	L	35.4	Very low	36.1	Very low	156.2 Å²	156.2	134.7 Å²	134.7	82%	0.818	74%	0.738	S	S	*	*				0	132.5	0	-90.6	135.9	0	0	0	112.3	N1825	L1823-N1825 PolarHBondContact O-N 3.47Å
1824	S	33.9	Very low	35.9	Very low	93.8 Å²	93.8	138.8 Å²	138.8	66%	0.656	74%	0.743	S	S	*	*			trans	-112.4	144	139.9	58.3	0	0	0	0	112.6
1825	N	34.2	Very low	35.8	Very low	139 Å²	139	142.2 Å²	142.2	74%	0.743	75%	0.748	S	S	*	*			trans	134.6	150.7	144.9	-70	-18.5	0	0	0	115.1	L1823	L1823-N1825 PolarHBondContact O-N 3.47Å
1826	E	34.4	Very low	35.7	Very low	163.2 Å²	163.2	140.5 Å²	140.5	76%	0.763	75%	0.751	S	S	*	*				78.4	127.4	120.8	-121.1	-179.6	131.4	0	0	117.5
1827	I	39.2	Very low	35.6	Very low	149.4 Å²	149.4	135.3 Å²	135.3	77%	0.766	75%	0.746	S	S	*	*				164.3	116.7	94.2	-63	169.8	0	0	0	113.8
1828	A	35.7	Very low	35.6	Very low	79.2 Å²	79.2	136 Å²	136	66%	0.655	75%	0.75	S	S	*	*				106.9	134.6	100.9	0	0	0	0	0	115
1829	S	38.6	Very low	35.5	Very low	100.4 Å²	100.4	136.7 Å²	136.7	70%	0.702	76%	0.755	S	S	*	*			trans	156.3	109.7	147.4	-65.6	0	0	0	0	114.4
1830	K	38.8	Very low	35.6	Very low	192.4 Å²	192.4	132.7 Å²	132.7	84%	0.837	75%	0.751	S	S	*	*				59.8	103.5	122	-62.6	171.7	-173.7	166.1	0	114.5
1831	S	34.2	Very low	35.4	Very low	108.6 Å²	108.6	138.7 Å²	138.7	76%	0.759	76%	0.76	S	S	*	*				-173.9	0	101.6	60.5	0	0	0	0	112.1
1832	V	36.7	Very low	35.4	Very low	114.2 Å²	114.2	135.6 Å²	135.6	69%	0.692	76%	0.756	S	S	*	*				0	0	0	167.8	0	0	0	0	109.6	Q1834	V1832-Q1834 HydrophobicContact CG1-CB 3.96Å; V1832-Q1834 HydrophobicContact CG1-CG 3.89Å
1833	K	33.2	Very low	35.5	Very low	188.2 Å²	188.2	139.7 Å²	139.7	82%	0.818	76%	0.761	S	S	*	*				0	0	0	-74.1	179.2	-178.8	177.2	0	114.2	K1835	K1833-K1835 PolarHBondContact O-N 2.65Å
1834	Q	34.3	Very low	35.5	Very low	169 Å²	169	138.7 Å²	138.7	79%	0.79	76%	0.756	S	S	*	*				0	0	0	-82.8	179.8	6.1	0	0	112.3	V1832	V1832-Q1834 HydrophobicContact CG1-CB 3.96Å; V1832-Q1834 HydrophobicContact CG1-CG 3.89Å
1835	K	33.3	Very low	35.4	Very low	181.8 Å²	181.8	142.8 Å²	142.8	79%	0.79	76%	0.764	S	S	*	*				0	135.3	0	-136.3	-169.7	176.4	-177.4	0	108.5	K1833	K1833-K1835 PolarHBondContact O-N 2.65Å
1836	V	35.5	Very low	35.2	Very low	121.4 Å²	121.4	140.1 Å²	140.1	74%	0.736	76%	0.761	S	S	*	*				116.7	0	120.7	174.3	0	0	0	0	113.1
1837	S	35	Very low	35	Very low	95.8 Å²	95.8	138.3 Å²	138.3	67%	0.67	76%	0.761	S	S	*	*				0	146.3	0	-74.5	0	0	0	0	112.1
1838	T	38.3	Very low	34.6	Very low	124.2 Å²	124.2	136.3 Å²	136.3	76%	0.762	76%	0.761	S	S	*	*				99.6	0	125.4	44	0	0	0	0	114.4
1839	T	36.2	Very low	34.5	Very low	127 Å²	127	138.8 Å²	138.8	78%	0.779	77%	0.767	S	S	*	*				0	0	0	34.4	0	0	0	0	112.6
1840	S	35.2	Very low	34.3	Very low	105.2 Å²	105.2	139.1 Å²	139.1	74%	0.736	77%	0.769	S	S	*	*				0	0	0	76.7	0	0	0	0	115.9
1841	R	32.7	Very low	34.1	Very low	239.8 Å²	239.8	135.4 Å²	135.4	91%	0.905	77%	0.765	S	S	*	*				0	0	0	-162.4	179.1	-169.8	-177.8	2.4	115.4
1842	A	34.7	Very low	34.1	Very low	91.4 Å²	91.4	140.2 Å²	140.2	76%	0.755	77%	0.772	S	S	*	*				0	0	0	0	0	0	0	0	112.5
1843	K	36.4	Very low	34.1	Very low	193.2 Å²	193.2	138.2 Å²	138.2	84%	0.84	78%	0.775	S	S	*	*				0	0	0	-112	178.7	176.4	-178.7	0	110.6
1844	L	34.2	Very low	34.3	Very low	136.4 Å²	136.4	139.2 Å²	139.2	71%	0.714	78%	0.779	S	S	*	*				0	136.7	0	-75.3	168.7	0	0	0	113.2	A1846	L1844-A1846 PolarHBondContact O-N 3.44Å
1845	Q	32.7	Very low	34.3	Very low	180 Å²	180	140.1 Å²	140.1	84%	0.841	78%	0.781	S	S	*	*			trans	57	129.9	133.5	-70.3	175.2	-2.5	0	0	115.5
1846	A	29.7	Very low	34.4	Very low	80.8 Å²	80.8	137.1 Å²	137.1	67%	0.668	78%	0.778	S	S	*	*				161.6	140.4	78.6	0	0	0	0	0	111.8	L1844	L1844-A1846 PolarHBondContact O-N 3.44Å
1847	T	30.7	Very low	34.4	Very low	125.4 Å²	125.4	136.7 Å²	136.7	77%	0.769	78%	0.775	S	S	*	*				56.1	123.9	115.7	53.1	0	0	0	0	117.1	V1849	T1847-V1849 PolarHBondContact O-N 2.98Å; T1847-V1849 VanDerWaalsContact O-N 3.11Å
1848	S	30.5	Very low	34.6	Very low	108 Å²	108	136.9 Å²	136.9	76%	0.755	77%	0.772	S	S	*	*				128.1	133.6	118.9	65.6	0	0	0	0	113.6
1849	V	32.9	Very low	34.3	Very low	130.8 Å²	130.8	136.9 Å²	136.9	79%	0.793	77%	0.768	S	S	*	*			trans	147	137.1	130.4	-91.1	0	0	0	0	112.7	T1847	T1847-V1849 PolarHBondContact O-N 2.98Å; T1847-V1849 VanDerWaalsContact O-N 3.11Å
1850	S	34.2	Very low	34.1	Very low	106.6 Å²	106.6	134.7 Å²	134.7	75%	0.745	76%	0.758	S	S	*	*				74	0	126.4	-108.1	0	0	0	0	113.6
1851	P	36.3	Very low	33.9	Very low	114.6 Å²	114.6	137.7 Å²	137.7	74%	0.744	76%	0.76	S	S	*	*				0	0	0	29	-8.1	0	0	0	115.4
1852	K	33.7	Very low	34	Very low	209.8 Å²	209.8	132.3 Å²	132.3	91%	0.912	75%	0.753	S	S	*	*				0	131.1	0	-72.4	-179	177.7	176.7	0	115.6
1853	G	36.8	Very low	33.9	Very low	72.4 Å²	72.4	132.3 Å²	132.3	75%	0.746	75%	0.748	S	S	*	*			trans	139.6	105.8	136.2	0	0	0	0	0	115.5
1854	K	36.3	Very low	33.8	Very low	209.6 Å²	209.6	129.9 Å²	129.9	91%	0.911	74%	0.744	S	S	*	*				41.9	118	128.8	-64	-174.7	178.2	-178.7	0	116.1
1855	K	35.4	Very low	33.7	Very low	188.2 Å²	188.2	130.3 Å²	130.3	82%	0.818	75%	0.746	S	S	*	*				156.1	137.4	108.4	-133.1	-171.4	175.9	-171.1	0	113.6
1856	T	35.6	Very low	33.9	Very low	119.2 Å²	119.2	131 Å²	131	73%	0.731	75%	0.746	S	S	*	*			trans	67.8	146.2	148.3	46.3	0	0	0	0	113.8
1857	V	35.8	Very low	34.2	Very low	112.4 Å²	112.4	135.2 Å²	135.2	68%	0.681	75%	0.752	S	S	*	*				123.3	122.5	59.3	153.9	0	0	0	0	110.6
1858	T	37.4	Very low	34.6	Very low	99.6 Å²	99.6	134.1 Å²	134.1	61%	0.611	75%	0.747	S	S	*	*				72.1	144.2	129.2	57.4	0	0	0	0	117.8	G1945 R1946 S1947 K1948	T1858-G1945 WeakPolarHBondContact CB-O 3.3Å; T1858-R1946 VanDerWaalsContact CB-O 3.25Å; T1858-R1946 WeakPolarHBondContact CB-O 3.44Å; T1858-R1946 CarbonylContact O-C 3.5Å; T1858-R1946 PolarHBondContact OG1-O 2.94Å; T1858-S1947 CarbonylContact O-C 3.27Å; T1858-S1947 VanDerWaalsContact O-C 3.3Å; T1858-S1947 WeakPolarHBondContact O-CA 3.43Å; T1858-S1947 PolarHBondContact O-N 3.36Å; T1858-K1948 PolarHBondContact O-N 3.37Å
1859	D	32.9	Very low	34.7	Very low	124.6 Å²	124.6	133 Å²	133	67%	0.666	74%	0.739	S	S	*	*			trans	84.3	146.5	153.7	-66.9	-51.8	0	0	0	115	R1946 S1947 K1948	D1859-R1946 VanDerWaalsContact OD1-CA 3.23Å; D1859-R1946 WeakPolarHBondContact OD1-CA 3.43Å; D1859-R1946 IonicContact OD1-CZ 2.65Å; D1859-R1946 PolarHBondContact OD1-N 3.09Å; D1859-R1946 IonicContact OD1-NE 3.74Å; D1859-R1946 PolarHBondContact OD1-NE 3.42Å; D1859-R1946 IonicContact OD1-NH2 3.45Å; D1859-R1946 PolarHBondContact OD1-NH2 2.87Å; D1859-S1947 VanDerWaalsContact CG-CB 3.45Å; D1859-S1947 WeakPolarHBondContact OD1-CB 3.42Å; D1859-S1947 WeakPolarHBondContact OD2-CA 3.36Å; D1859-S1947 WeakPolarHBondContact OD2-CB 3.32Å; D1859-K1948 WeakPolarHBondContact O-CA 3.31Å; D1859-K1948 PolarHBondContact O-N 3.16Å; D1859-K1948 PolarHBondContact OD2-N 3.27Å
1860	S	31.2	Very low	34.8	Very low	81.2 Å²	81.2	133.9 Å²	133.9	57%	0.568	73%	0.734	S	S	*	*			cis	171.8	156.2	19.9	-169.7	0	0	0	0	111.7
1861	E	32	Very low	34.8	Very low	168.4 Å²	168.4	137.5 Å²	137.5	79%	0.787	74%	0.736	S	S	*	*				68.6	125.9	124	-88.5	165.7	168.3	0	0	117.1
1862	V	34.8	Very low	34.8	Very low	125.8 Å²	125.8	136.3 Å²	136.3	76%	0.762	74%	0.736	S	S	*	*			trans	64.5	116.5	139.7	178.8	0	0	0	0	114.8
1863	S	31.5	Very low	34.6	Very low	91.6 Å²	91.6	137.2 Å²	137.2	64%	0.641	73%	0.733	S	S	*	*				124	148.4	107.2	84.2	0	0	0	0	113.7
1864	L	34.3	Very low	34.4	Very low	143.2 Å²	143.2	136.8 Å²	136.8	75%	0.75	73%	0.73	S	S	*	*			trans	92.5	119.1	144.4	-76.8	162.5	0	0	0	114.9
1865	L	33.9	Very low	34.5	Very low	144.4 Å²	144.4	136.9 Å²	136.9	76%	0.756	73%	0.725	S	S	*	*				93.7	107.9	115.3	-79.5	159.3	0	0	0	115.1
1866	K	35.7	Very low	34.5	Very low	193.8 Å²	193.8	137.2 Å²	137.2	84%	0.843	73%	0.726	S	S	*	*				102.2	108.5	120.4	-106.3	-177.9	177.1	-176.8	0	115.4
1867	E	37.3	Very low	34.3	Very low	169.4 Å²	169.4	135.7 Å²	135.7	79%	0.792	73%	0.726	S	S	*	*			trans	-44.4	159.9	140.1	-118.8	-156.2	129.6	0	0	113.2	S1869	E1867-S1869 WeakPolarHBondContact OE1-CB 3.42Å
1868	P	37.6	Very low	34.5	Very low	102.8 Å²	102.8	139.8 Å²	139.8	67%	0.668	73%	0.734	S	S	*	*			cis	-146.4	165.5	30.6	38.7	-20.2	0	0	0	113.9
1869	S	32.6	Very low	34.8	Very low	83.6 Å²	83.6	144.4 Å²	144.4	59%	0.585	75%	0.746	S	S	*	*				83.5	131	125.7	118.6	0	0	0	0	115.7	E1867	E1867-S1869 WeakPolarHBondContact OE1-CB 3.42Å
1870	H	35.7	Very low	35	Very low	150 Å²	150	143.8 Å²	143.8	69%	0.694	75%	0.749	S	S	*	*				102.2	132.7	128.7	-77.4	-37.6	0	0	0	116.5
1871	K	34.6	Very low	35.1	Very low	183 Å²	183	146 Å²	146	80%	0.796	75%	0.754	S	S	*	*			trans	64	120.2	136	-65.2	167.1	-176	171.1	0	115.3
1872	A	34.6	Very low	35.4	Very low	89 Å²	89	144.8 Å²	144.8	74%	0.736	75%	0.752	S	S	*	*				112.5	148.9	55.7	0	0	0	0	0	113.1	G1874	A1872-G1874 PolarHBondContact O-N 2.81Å
1873	R	31.5	Very low	35.3	Very low	228.2 Å²	228.2	142.7 Å²	142.7	86%	0.861	74%	0.743	S	S	*	*				85	105.4	125.3	-171.2	-174.9	-165.2	-168.7	4.9	112.9	E1925	R1873-E1925 VanDerWaalsContact CA-OE2 3.28Å; R1873-E1925 WeakPolarHBondContact CA-OE2 3.41Å; R1873-E1925 VanDerWaalsContact CB-OE2 3.3Å; R1873-E1925 WeakPolarHBondContact CB-OE2 3.41Å; R1873-E1925 WeakPolarHBondContact CG-OE2 3.32Å
1874	G	31.6	Very low	35.6	Very low	65.4 Å²	65.4	144.8 Å²	144.8	67%	0.674	75%	0.747	S	S	*	*				115	145.9	104.9	0	0	0	0	0	114.4	A1872	A1872-G1874 PolarHBondContact O-N 2.81Å
1875	R	38.7	Very low	35.6	Very low	211.8 Å²	211.8	147 Å²	147	80%	0.799	75%	0.75	S	S	*	*			trans	67.1	118.4	151.8	-66.1	-178.5	173.7	-175.9	-3.1	113.2	N1926 V1927 P1928 A1929	R1875-N1926 WeakPolarHBondContact CG-O 3.27Å; R1875-V1927 PolarHBondContact NE-O 3.28Å; R1875-V1927 PolarHBondContact NH2-O 3.34Å; R1875-P1928 PolarHBondContact NE-O 2.95Å; R1875-P1928 PolarHBondContact NH1-O 3.42Å; R1875-A1929 PolarHBondContact NH1-O 2.99Å
1876	K	34.1	Very low	35.5	Very low	192.8 Å²	192.8	144.4 Å²	144.4	84%	0.838	75%	0.75	S	S	*	*				56.1	114	103	-71.8	-143.9	175.7	-177.6	0	114.2	P1928	K1876-P1928 HydrophobicContact CD-CB 4.44Å
1877	A	33.1	Very low	35.5	Very low	89 Å²	89	143.3 Å²	143.3	74%	0.736	75%	0.748	S	S	*	*			trans	133.3	126.8	147.9	0	0	0	0	0	111.7
1878	K	39.1	Very low	35.2	Very low	197.4 Å²	197.4	139.9 Å²	139.9	86%	0.858	74%	0.743	S	S	*	*				166.2	126.2	69.6	-99.1	177.5	-179.1	-179.3	0	109	P1880	K1878-P1880 WeakPolarHBondContact O-CD 3.35Å
1879	K	43	Very low	35.1	Very low	196.8 Å²	196.8	141.7 Å²	141.7	86%	0.856	75%	0.746	S	S	*	*			trans	-40	132.6	137.6	-81	-174.9	178	-179.6	0	109.3	N1881	K1879-N1881 HydrophobicContact CB-CB 4.09Å; K1879-N1881 HydrophobicContact CD-CB 4.35Å; K1879-N1881 HydrophobicContact CG-CB 4.04Å
1880	P	39.2	Very low	35.2	Very low	112.8 Å²	112.8	143.8 Å²	143.8	73%	0.732	76%	0.755	S	S	*	*				-119.1	148.1	92.7	23.9	-9.3	0	0	0	111.1	K1878 I1882	K1878-P1880 WeakPolarHBondContact O-CD 3.35Å; P1880-I1882 VanDerWaalsContact C-N 3.31Å; P1880-I1882 PolarHBondContact O-N 2.86Å
1881	N	31.9	Very low	35.1	Very low	126.6 Å²	126.6	140.7 Å²	140.7	68%	0.677	76%	0.755	S	S	*	*				-155.7	111.7	102.1	-162.3	21.8	0	0	0	110	K1879 S1883	K1879-N1881 HydrophobicContact CB-CB 4.09Å; K1879-N1881 HydrophobicContact CD-CB 4.35Å; K1879-N1881 HydrophobicContact CG-CB 4.04Å; N1881-S1883 PolarHBondContact OD1-OG 3.37Å
1882	I	37.9	Very low	35.1	Very low	143.4 Å²	143.4	140.2 Å²	140.2	74%	0.735	76%	0.756	S	S	*	*			trans	179	116.6	144.7	-70.1	151.8	0	0	0	108	P1880 N1884	P1880-I1882 VanDerWaalsContact C-N 3.31Å; P1880-I1882 PolarHBondContact O-N 2.86Å; I1882-N1884 HydrophobicContact CG2-CB 4.35Å
1883	S	33.1	Very low	35	Very low	81.4 Å²	81.4	140.3 Å²	140.3	57%	0.569	75%	0.747	S	S	*	*				144.2	154.7	63.4	84.2	0	0	0	0	110.8	N1881 K1885	N1881-S1883 PolarHBondContact OD1-OG 3.37Å; S1883-K1885 PolarHBondContact O-N 2.84Å
1884	N	37.2	Very low	35.2	Very low	137 Å²	137	139.8 Å²	139.8	73%	0.733	75%	0.745	S	S	*	*			trans	92.4	102	150.8	-66	-27.2	0	0	0	113.9	I1882	I1882-N1884 HydrophobicContact CG2-CB 4.35Å
1885	K	34.4	Very low	35.4	Very low	187.8 Å²	187.8	141.2 Å²	141.2	82%	0.817	75%	0.745	S	S	*	*				64	137.9	115.5	-77.8	172.9	-180	179.1	0	110.9	S1883 Q1887	S1883-K1885 PolarHBondContact O-N 2.84Å; K1885-Q1887 HydrophobicContact CB-CB 3.86Å; K1885-Q1887 HydrophobicContact CB-CG 4.39Å; K1885-Q1887 HydrophobicContact CD-CB 3.86Å; K1885-Q1887 HydrophobicContact CD-CG 3.64Å; K1885-Q1887 HydrophobicContact CG-CB 3.88Å; K1885-Q1887 HydrophobicContact CG-CG 3.83Å
1886	A	33.4	Very low	35.2	Very low	90 Å²	90	138 Å²	138	74%	0.744	74%	0.744	S	S	*	*				-163.4	141.7	86.2	0	0	0	0	0	110.6
1887	Q	35.3	Very low	35.2	Very low	171 Å²	171	136.6 Å²	136.6	80%	0.799	74%	0.74	S	S	*	*				79.2	133.7	101.5	-104.5	172.7	-23.4	0	0	112.9	K1885 L1889	K1885-Q1887 HydrophobicContact CB-CB 3.86Å; K1885-Q1887 HydrophobicContact CB-CG 4.39Å; K1885-Q1887 HydrophobicContact CD-CB 3.86Å; K1885-Q1887 HydrophobicContact CD-CG 3.64Å; K1885-Q1887 HydrophobicContact CG-CB 3.88Å; K1885-Q1887 HydrophobicContact CG-CG 3.83Å; Q1887-L1889 HydrophobicContact CB-CB 4.12Å; Q1887-L1889 HydrophobicContact CB-CD1 4.09Å; Q1887-L1889 HydrophobicContact CB-CG 4.09Å; Q1887-L1889 VanDerWaalsContact CD-CD1 3.44Å; Q1887-L1889 HydrophobicContact CG-CB 4.34Å; Q1887-L1889 HydrophobicContact CG-CD1 4.09Å; Q1887-L1889 HydrophobicContact CG-CG 3.87Å
1888	S	31.4	Very low	35.3	Very low	98.2 Å²	98.2	140.9 Å²	140.9	69%	0.687	74%	0.742	S	S	*	*				-157.9	138.2	69	-159.9	0	0	0	0	109.1
1889	L	35.6	Very low	35.1	Very low	140.2 Å²	140.2	137.8 Å²	137.8	73%	0.734	74%	0.735	S	S	*	*				76.9	124.1	125.5	-83.3	164.2	0	0	0	114.6	Q1887	Q1887-L1889 HydrophobicContact CB-CB 4.12Å; Q1887-L1889 HydrophobicContact CB-CD1 4.09Å; Q1887-L1889 HydrophobicContact CB-CG 4.09Å; Q1887-L1889 VanDerWaalsContact CD-CD1 3.44Å; Q1887-L1889 HydrophobicContact CG-CB 4.34Å; Q1887-L1889 HydrophobicContact CG-CD1 4.09Å; Q1887-L1889 HydrophobicContact CG-CG 3.87Å
1890	T	33	Very low	34.7	Very low	127 Å²	127	134.4 Å²	134.4	78%	0.779	73%	0.726	S	S	*	*			trans	133.4	146.5	136.6	34.5	0	0	0	0	114.2
1891	A	34.7	Very low	34.4	Very low	85.2 Å²	85.2	135.6 Å²	135.6	70%	0.704	72%	0.722	S	S	*	*			trans	78.8	126.7	143.9	0	0	0	0	0	111.8
1892	Q	33.7	Very low	34.6	Very low	173.8 Å²	173.8	136.4 Å²	136.4	81%	0.812	72%	0.722	S	S	*	*				101.1	132.3	87.2	-93.6	-168.7	21.2	0	0	114.2
1893	V	33.5	Very low	34.4	Very low	90 Å²	90	138 Å²	138	55%	0.545	73%	0.726	S	S	.	*				89.4	122.8	116.6	178.3	0	0	0	0	116.7	Q1902	V1893-Q1902 HydrophobicContact CG2-CG 4.34Å
1894	R	35.9	Very low	34.3	Very low	217.4 Å²	217.4	137.5 Å²	137.5	82%	0.82	73%	0.734	S	S	*	*			trans	98.5	135	137.1	-85.8	173.9	179.2	123.7	-1.2	116
1895	S	34.9	Very low	34.1	Very low	96.2 Å²	96.2	136.4 Å²	136.4	67%	0.673	74%	0.737	S	S	*	*				-152.1	133.8	127	68.3	0	0	0	0	114.9
1896	N	34.3	Very low	34.1	Very low	143.6 Å²	143.6	133.5 Å²	133.5	77%	0.768	74%	0.735	S	S	*	*			trans	-152	126.7	148.6	-73.8	-41.9	0	0	0	112.7
1897	H	35.4	Very low	34.1	Very low	163.8 Å²	163.8	135.4 Å²	135.4	76%	0.758	74%	0.737	S	S	*	*				-145.3	127.1	118	-109.5	-89.8	0	0	0	110.2
1898	K	34.5	Very low	33.9	Very low	179.4 Å²	179.4	131.3 Å²	131.3	78%	0.78	73%	0.732	S	S	*	*				111.3	117.5	74.8	-93.7	-172.2	179.7	-177.6	0	111.3
1899	N	34.9	Very low	34	Very low	131.6 Å²	131.6	133.4 Å²	133.4	70%	0.704	74%	0.735	S	S	*	*				111.4	124.6	128.3	-76.1	-8.6	0	0	0	113.8
1900	N	35.5	Very low	33.9	Very low	126.2 Å²	126.2	133.7 Å²	133.7	68%	0.675	74%	0.737	S	S	*	*				88	127.2	127.8	-83.9	15.1	0	0	0	116.4
1901	E	32.6	Very low	33.7	Very low	137.4 Å²	137.4	137.6 Å²	137.6	64%	0.642	74%	0.739	S	S	*	*				118.3	137.1	85.8	-98	-178.4	116.9	0	0	116.7
1902	Q	34.6	Very low	33.6	Very low	144.6 Å²	144.6	144.3 Å²	144.3	68%	0.676	75%	0.746	S	S	*	*			trans	84	125.1	130.4	-88.1	-173	46.9	0	0	117.3	V1893	V1893-Q1902 HydrophobicContact CG2-CG 4.34Å
1903	Q	34	Very low	33.5	Very low	176 Å²	176	141.3 Å²	141.3	82%	0.822	74%	0.742	S	S	*	*				98.9	136.7	129.8	-79.4	-179.7	21.6	0	0	115.8
1904	G	32.4	Very low	33.6	Very low	71.4 Å²	71.4	143.7 Å²	143.7	74%	0.736	75%	0.75	S	S	*	*				119.1	108.1	93.8	0	0	0	0	0	114.3	V1906	G1904-V1906 PolarHBondContact O-N 3.3Å
1905	S	31.5	Very low	33.5	Very low	114.2 Å²	114.2	138.6 Å²	138.6	80%	0.799	74%	0.744	S	S	*	*			trans	81.5	0	131.3	58.3	0	0	0	0	114.7
1906	V	34.6	Very low	33.5	Very low	126.8 Å²	126.8	145 Å²	145	77%	0.768	75%	0.753	S	S	*	*				0	0	0	174	0	0	0	0	112	G1904	G1904-V1906 PolarHBondContact O-N 3.3Å
1907	T	33.2	Very low	33.5	Very low	129.8 Å²	129.8	148.9 Å²	148.9	80%	0.796	76%	0.757	S	S	*	*				0	0	0	-40.7	0	0	0	0	112
1908	A	32.1	Very low	33.6	Very low	84.8 Å²	84.8	150.4 Å²	150.4	70%	0.701	76%	0.761	S	S	*	*				0	0	0	0	0	0	0	0	113.2
1909	L	32.5	Very low	33.7	Very low	143 Å²	143	151.2 Å²	151.2	75%	0.749	77%	0.765	S	S	*	*				0	124.4	0	-90.5	162.9	0	0	0	113.4	Y1911	L1909-Y1911 HydrophobicContact CB-CD2 4.44Å; L1909-Y1911 HydrophobicContact CD2-CD2 4.49Å; L1909-Y1911 HydrophobicContact CD2-CE2 3.94Å
1910	N	33.3	Very low	33.7	Very low	145.2 Å²	145.2	150.6 Å²	150.6	78%	0.776	77%	0.768	S	S	*	*			trans	139.4	139.2	133.6	-86.4	-46.8	0	0	0	114.1
1911	Y	29.2	Very low	33.4	Very low	210 Å²	210	149.7 Å²	149.7	82%	0.824	77%	0.771	S	S	*	*			trans	-151.8	0	157.3	-74.9	-83.8	0	0	0	111.1	L1909	L1909-Y1911 HydrophobicContact CB-CD2 4.44Å; L1909-Y1911 HydrophobicContact CD2-CD2 4.49Å; L1909-Y1911 HydrophobicContact CD2-CE2 3.94Å
1912	R	32.8	Very low	33.5	Very low	225 Å²	225	150.1 Å²	150.1	85%	0.849	78%	0.775	S	S	*	*				0	0	0	-141.2	-173.8	176.9	176.4	-0.7	110.5	I1914	R1912-I1914 HydrophobicContact CB-CD1 4.27Å; R1912-I1914 HydrophobicContact CB-CG1 4.11Å; R1912-I1914 HydrophobicContact CG-CD1 4.39Å; R1912-I1914 HydrophobicContact CG-CG1 4.25Å; R1912-I1914 PolarHBondContact O-N 3.47Å
1913	P	32.5	Very low	33.5	Very low	110.2 Å²	110.2	150.4 Å²	150.4	72%	0.716	78%	0.777	S	S	*	*				0	0	0	32.4	-20.4	0	0	0	112.8
1914	I	34.5	Very low	33.4	Very low	141.8 Å²	141.8	150.4 Å²	150.4	73%	0.727	77%	0.774	S	S	*	*				0	0	0	-51.9	179.8	0	0	0	112.1	R1912	R1912-I1914 HydrophobicContact CB-CD1 4.27Å; R1912-I1914 HydrophobicContact CB-CG1 4.11Å; R1912-I1914 HydrophobicContact CG-CD1 4.39Å; R1912-I1914 HydrophobicContact CG-CG1 4.25Å; R1912-I1914 PolarHBondContact O-N 3.47Å
1915	T	33.6	Very low	33.6	Very low	110.4 Å²	110.4	153.3 Å²	153.3	68%	0.677	77%	0.768	S	S	*	*				0	0	0	54.8	0	0	0	0	115.1	R1917	T1915-R1917 PolarHBondContact O-N 3.47Å; T1915-R1917 VanDerWaalsContact O-N 3.09Å
1916	R	34.7	Very low	33.6	Very low	230.4 Å²	230.4	153.8 Å²	153.8	87%	0.869	76%	0.762	S	S	*	*				0	0	0	-84.5	172.3	175.7	-160.4	-0	111.1
1917	R	35.7	Very low	33.7	Very low	225.8 Å²	225.8	153.6 Å²	153.6	85%	0.852	76%	0.761	S	S	*	*				0	0	0	-88.9	178.8	176.1	171.8	-2	112	T1915	T1915-R1917 PolarHBondContact O-N 3.47Å; T1915-R1917 VanDerWaalsContact O-N 3.09Å
1918	K	37.8	Very low	33.9	Very low	194.8 Å²	194.8	152.4 Å²	152.4	85%	0.847	76%	0.756	S	S	*	*				0	0	0	-71.2	-169	178.8	177.2	0	111.7
1919	K	36.3	Very low	34	Very low	195.6 Å²	195.6	152.5 Å²	152.5	85%	0.85	76%	0.756	S	S	*	*				0	0	0	-70.2	-173.1	176.9	-175	0	114.9
1920	P	35.2	Very low	34.1	Very low	118.4 Å²	118.4	152.9 Å²	152.9	77%	0.769	75%	0.754	S	S	*	*				0	0	0	37.5	-18.4	0	0	0	113.3
1921	C	28.2	Very low	34.3	Very low	108.8 Å²	108.8	152.3 Å²	152.3	74%	0.735	75%	0.746	S	S	*	*				0	0	0	-146.6	0	0	0	0	112.9
1922	I	35.2	Very low	34.7	Very low	144.8 Å²	144.8	147.4 Å²	147.4	74%	0.743	73%	0.734	S	S	*	*				0	0	0	-77.5	169.5	0	0	0	110.2
1923	Q	33.7	Very low	34.9	Very low	150.6 Å²	150.6	143.6 Å²	143.6	70%	0.704	73%	0.731	S	S	*	*				0	0	0	-65.8	177.6	20	0	0	115.7
1924	K	33.2	Very low	35.1	Very low	175.8 Å²	175.8	141.7 Å²	141.7	76%	0.764	73%	0.732	S	S	*	*				0	0	0	-75.3	176.7	175	-168.6	0	114.6
1925	E	35.3	Very low	35.3	Very low	132.8 Å²	132.8	144.5 Å²	144.5	62%	0.621	74%	0.738	S	S	*	*				0	0	0	-142.6	166.4	146.3	0	0	112.9	R1873	R1873-E1925 VanDerWaalsContact CA-OE2 3.28Å; R1873-E1925 WeakPolarHBondContact CA-OE2 3.41Å; R1873-E1925 VanDerWaalsContact CB-OE2 3.3Å; R1873-E1925 WeakPolarHBondContact CB-OE2 3.41Å; R1873-E1925 WeakPolarHBondContact CG-OE2 3.32Å
1926	N	32.9	Very low	35.3	Very low	126 Å²	126	145.5 Å²	145.5	67%	0.674	74%	0.744	S	S	*	*				0	0	0	-69.6	-26.7	0	0	0	118.4	R1875	R1875-N1926 WeakPolarHBondContact CG-O 3.27Å
1927	V	35.3	Very low	35.5	Very low	122.6 Å²	122.6	140.2 Å²	140.2	74%	0.743	74%	0.737	S	S	*	*				0	0	0	173.8	0	0	0	0	112.5	R1875 A1929	R1875-V1927 PolarHBondContact NE-O 3.28Å; R1875-V1927 PolarHBondContact NH2-O 3.34Å; V1927-A1929 HydrophobicContact CG1-CB 4.5Å
1928	P	37.6	Very low	35.4	Very low	104.2 Å²	104.2	135 Å²	135	68%	0.677	74%	0.735	S	S	*	*				0	-177.8	0	33.8	-13.9	0	0	0	113.2	R1875 K1876	R1875-P1928 PolarHBondContact NE-O 2.95Å; R1875-P1928 PolarHBondContact NH1-O 3.42Å; K1876-P1928 HydrophobicContact CD-CB 4.44Å
1929	A	34.1	Very low	35.3	Very low	85.6 Å²	85.6	128.4 Å²	128.4	71%	0.707	72%	0.723	S	S	*	*				107.2	143.9	101.9	0	0	0	0	0	115.4	R1875 V1927	R1875-A1929 PolarHBondContact NH1-O 2.99Å; V1927-A1929 HydrophobicContact CG1-CB 4.5Å
1930	H	35.8	Very low	35.3	Very low	152.2 Å²	152.2	130.4 Å²	130.4	71%	0.705	73%	0.725	S	S	*	*				159.5	143.8	93.6	-152.9	-100.7	0	0	0	110.9	N1932	H1930-N1932 PolarHBondContact NE2-ND2 3.17Å
1931	E	36.4	Very low	35.4	Very low	132.2 Å²	132.2	132.6 Å²	132.6	62%	0.618	73%	0.727	S	S	*	*			trans	116.9	136.4	140.3	-123.1	171.8	170.2	0	0	114.1	K1556 K1557 T1558	K1556-E1931 IonicContact NZ-OE1 2.66Å; K1556-E1931 PolarHBondContact NZ-OE1 3.26Å; K1557-E1931 WeakPolarHBondContact CE-O 3.21Å; T1558-E1931 HydrophobicContact CG2-CB 4.41Å
1932	N	37.6	Very low	35.6	Very low	107 Å²	107	133 Å²	133	57%	0.572	72%	0.722	S	S	*	*				114.6	143	127.1	-90.1	-22.3	0	0	0	116.5	K1557 H1930	K1557-N1932 PolarHBondContact NZ-OD1 3.03Å; H1930-N1932 PolarHBondContact NE2-ND2 3.17Å
1933	D	36.6	Very low	35.6	Very low	146.6 Å²	146.6	133.2 Å²	133.2	78%	0.784	72%	0.723	S	S	*	*				55.8	133.4	125.5	-69.1	-40.5	0	0	0	118.4	K1557	K1557-D1933 WeakPolarHBondContact CE-O 3.41Å; K1557-D1933 PolarHBondContact NZ-O 3.46Å
1934	G	38	Very low	35.6	Very low	70.2 Å²	70.2	131.4 Å²	131.4	72%	0.724	72%	0.723	S	S	*	*			trans	176.4	95.1	151.8	0	0	0	0	0	116.5
1935	K	37.6	Very low	35.8	Very low	199 Å²	199	125.8 Å²	125.8	87%	0.865	72%	0.715	S	S	*	*			trans	37	140.2	159.6	-81.8	-171.5	177.8	-176	0	117.4
1936	V	34	Very low	35.9	Very low	132.2 Å²	132.2	129.2 Å²	129.2	80%	0.801	72%	0.722	S	S	*	*			trans	82.1	0	149.4	-169.1	0	0	0	0	116	R1946	V1936-R1946 PolarHBondContact O-NH1 2.94Å
1937	V	39.4	Very low	35.9	Very low	118.4 Å²	118.4	127.8 Å²	127.8	72%	0.718	72%	0.722	S	S	*	*				0	138	0	142.5	0	0	0	0	110.3	R1946	V1937-R1946 HydrophobicContact CG2-CB 4.14Å
1938	S	34.5	Very low	36.1	Very low	116.4 Å²	116.4	130.7 Å²	130.7	81%	0.814	73%	0.725	S	S	*	*			trans	70.9	134.4	148.8	-160.5	0	0	0	0	117.6	T1944	S1938-T1944 WeakPolarHBondContact CA-OG1 3.27Å; S1938-T1944 PolarHBondContact N-OG1 3.33Å; S1938-T1944 VanDerWaalsContact O-CG2 3.26Å; S1938-T1944 WeakPolarHBondContact O-CG2 3.25Å
1939	G	34.6	Very low	36	Very low	57.6 Å²	57.6	131.9 Å²	131.9	59%	0.594	73%	0.731	S	S	*	*			trans	131.4	115.9	132.3	0	0	0	0	0	114.8	N1942 L1943 T1944	G1939-N1942 PolarHBondContact N-OD1 3.26Å; G1939-N1942 WeakPolarHBondContact O-CA 3.35Å; G1939-N1942 WeakPolarHBondContact O-CB 3.17Å; G1939-N1942 PolarHBondContact O-OD1 2.79Å; G1939-L1943 VanDerWaalsContact O-CB 3.29Å; G1939-L1943 WeakPolarHBondContact O-CB 3.39Å; G1939-T1944 PolarHBondContact N-OG1 2.8Å
1940	R	36.5	Very low	36.2	Very low	237.6 Å²	237.6	136.1 Å²	136.1	90%	0.897	74%	0.735	S	S	*	*			trans	86.2	0	137.2	-119.5	-179.6	-172.9	-172.5	2.3	114.7	N1942	R1940-N1942 VanDerWaalsContact CA-OD1 3.23Å; R1940-N1942 WeakPolarHBondContact CA-OD1 3.46Å; R1940-N1942 VanDerWaalsContact CB-OD1 3.25Å; R1940-N1942 WeakPolarHBondContact CB-OD1 3.43Å; R1940-N1942 WeakPolarHBondContact CD-OD1 3.44Å; R1940-N1942 WeakPolarHBondContact CG-OD1 3.29Å; R1940-N1942 PolarHBondContact N-OD1 3.37Å; R1940-N1942 PolarHBondContact NE-ND2 3.13Å
1941	M	37.5	Very low	36.2	Very low	164.2 Å²	164.2	137.3 Å²	137.3	81%	0.809	74%	0.738	S	S	*	*				0	130	0	-121.3	170	123.5	0	0	111.9
1942	N	32.8	Very low	36.2	Very low	117.2 Å²	117.2	139.1 Å²	139.1	63%	0.627	75%	0.747	S	S	*	*			trans	9.2	143.8	140.8	-67	-27	0	0	0	116.2	G1939 R1940	G1939-N1942 PolarHBondContact N-OD1 3.26Å; G1939-N1942 WeakPolarHBondContact O-CA 3.35Å; G1939-N1942 WeakPolarHBondContact O-CB 3.17Å; G1939-N1942 PolarHBondContact O-OD1 2.79Å; R1940-N1942 VanDerWaalsContact CA-OD1 3.23Å; R1940-N1942 WeakPolarHBondContact CA-OD1 3.46Å; R1940-N1942 VanDerWaalsContact CB-OD1 3.25Å; R1940-N1942 WeakPolarHBondContact CB-OD1 3.43Å; R1940-N1942 WeakPolarHBondContact CD-OD1 3.44Å; R1940-N1942 WeakPolarHBondContact CG-OD1 3.29Å; R1940-N1942 PolarHBondContact N-OD1 3.37Å; R1940-N1942 PolarHBondContact NE-ND2 3.13Å
1943	L	35	Very low	36	Very low	148 Å²	148	143.2 Å²	143.2	78%	0.775	76%	0.76	S	S	*	*				108.2	146	113	-80.6	160.9	0	0	0	114	G1939 G1945	G1939-L1943 VanDerWaalsContact O-CB 3.29Å; G1939-L1943 WeakPolarHBondContact O-CB 3.39Å; L1943-G1945 PolarHBondContact O-N 3.48Å; L1943-G1945 VanDerWaalsContact O-N 3.17Å
1944	T	33.1	Very low	36	Very low	113.2 Å²	113.2	140.2 Å²	140.2	69%	0.694	76%	0.755	S	S	*	*				-53.8	123.8	112	23.6	0	0	0	0	113.2	S1938 G1939	S1938-T1944 WeakPolarHBondContact CA-OG1 3.27Å; S1938-T1944 PolarHBondContact N-OG1 3.33Å; S1938-T1944 VanDerWaalsContact O-CG2 3.26Å; S1938-T1944 WeakPolarHBondContact O-CG2 3.25Å; G1939-T1944 PolarHBondContact N-OG1 2.8Å
1945	G	37.8	Very low	35.8	Very low	57.8 Å²	57.8	144.7 Å²	144.7	60%	0.596	76%	0.761	S	S	*	*			trans	167	0	167	0	0	0	0	0	112	T1858 L1943 Q2079	T1858-G1945 WeakPolarHBondContact CB-O 3.3Å; L1943-G1945 PolarHBondContact O-N 3.48Å; L1943-G1945 VanDerWaalsContact O-N 3.17Å; G1945-Q2079 PolarHBondContact O-NE2 3.46Å; G1945-Q2079 PolarHBondContact O-OE1 3.06Å
1946	R	36.2	Very low	35.6	Very low	205.2 Å²	205.2	140.3 Å²	140.3	77%	0.774	76%	0.755	S	S	*	*				0	136.6	0	-137.6	-162.9	165.4	162.5	1	112.7	T1858 D1859 V1936 V1937	T1858-R1946 VanDerWaalsContact CB-O 3.25Å; T1858-R1946 WeakPolarHBondContact CB-O 3.44Å; T1858-R1946 CarbonylContact O-C 3.5Å; T1858-R1946 PolarHBondContact OG1-O 2.94Å; D1859-R1946 VanDerWaalsContact OD1-CA 3.23Å; D1859-R1946 WeakPolarHBondContact OD1-CA 3.43Å; D1859-R1946 IonicContact OD1-CZ 2.65Å; D1859-R1946 PolarHBondContact OD1-N 3.09Å; D1859-R1946 IonicContact OD1-NE 3.74Å; D1859-R1946 PolarHBondContact OD1-NE 3.42Å; D1859-R1946 IonicContact OD1-NH2 3.45Å; D1859-R1946 PolarHBondContact OD1-NH2 2.87Å; V1936-R1946 PolarHBondContact O-NH1 2.94Å; V1937-R1946 HydrophobicContact CG2-CB 4.14Å
1947	S	34.5	Very low	35.7	Very low	95.6 Å²	95.6	137.9 Å²	137.9	67%	0.669	75%	0.749	S	S	*	*			trans	106.9	144.4	151.6	56.8	0	0	0	0	115	T1858 D1859	T1858-S1947 CarbonylContact O-C 3.27Å; T1858-S1947 VanDerWaalsContact O-C 3.3Å; T1858-S1947 WeakPolarHBondContact O-CA 3.43Å; T1858-S1947 PolarHBondContact O-N 3.36Å; D1859-S1947 VanDerWaalsContact CG-CB 3.45Å; D1859-S1947 WeakPolarHBondContact OD1-CB 3.42Å; D1859-S1947 WeakPolarHBondContact OD2-CA 3.36Å; D1859-S1947 WeakPolarHBondContact OD2-CB 3.32Å
1948	K	38.9	Very low	35.6	Very low	185.2 Å²	185.2	138 Å²	138	81%	0.805	75%	0.75	S	S	*	*				124.9	136.6	113	-77.7	-172.4	177.9	-179	0	113.5	T1858 D1859	T1858-K1948 PolarHBondContact O-N 3.37Å; D1859-K1948 WeakPolarHBondContact O-CA 3.31Å; D1859-K1948 PolarHBondContact O-N 3.16Å; D1859-K1948 PolarHBondContact OD2-N 3.27Å
1949	T	36.5	Very low	35.6	Very low	129.4 Å²	129.4	139.1 Å²	139.1	79%	0.794	75%	0.746	S	S	*	*			trans	69.1	128.7	143.7	46	0	0	0	0	117.5
1950	Q	37.1	Very low	35.8	Very low	172.2 Å²	172.2	145.2 Å²	145.2	81%	0.805	76%	0.757	S	S	*	*				151.1	0	121.3	-161.4	167.3	6.3	0	0	113.8
1951	K	35.9	Very low	35.8	Very low	177.6 Å²	177.6	142.5 Å²	142.5	77%	0.772	75%	0.754	S	S	*	*				0	135.3	0	-74.8	171.1	178.5	172.7	0	114.4
1952	Q	36.4	Very low	35.5	Very low	170.4 Å²	170.4	140.5 Å²	140.5	80%	0.796	75%	0.751	S	S	*	*				144.7	139	113.7	-96.6	169.5	15.1	0	0	111.2
1953	K	34.2	Very low	35.6	Very low	194 Å²	194	142.5 Å²	142.5	84%	0.843	76%	0.761	S	S	*	*				116.4	130.3	71.9	-146	-174.5	177.3	-174	0	111.9
1954	A	34.8	Very low	35.5	Very low	82.6 Å²	82.6	140.1 Å²	140.1	68%	0.683	76%	0.756	S	S	*	*			trans	119.9	0	147.7	0	0	0	0	0	111.9
1955	I	35	Very low	35.7	Very low	165.8 Å²	165.8	142.2 Å²	142.2	85%	0.85	76%	0.762	S	S	*	*				0	125.6	0	-71.4	164.8	0	0	0	110.7
1956	S	33.8	Very low	35.8	Very low	105.6 Å²	105.6	148.5 Å²	148.5	74%	0.738	77%	0.773	S	S	*	*				98.3	135.6	80.2	-165.1	0	0	0	0	111.7
1957	A	34.9	Very low	35.9	Very low	82.8 Å²	82.8	146.1 Å²	146.1	68%	0.684	78%	0.775	S	S	*	*				105.3	0	74.2	0	0	0	0	0	113.1
1958	V	36.9	Very low	35.9	Very low	120.2 Å²	120.2	146.4 Å²	146.4	73%	0.728	77%	0.773	S	S	*	*				0	0	0	172.6	0	0	0	0	114.6
1959	N	36.1	Very low	35.7	Very low	138.2 Å²	138.2	147.8 Å²	147.8	74%	0.739	77%	0.773	S	S	*	*				0	139	0	-88.8	-21.2	0	0	0	117.2
1960	K	37.9	Very low	35.7	Very low	186.6 Å²	186.6	152.2 Å²	152.2	81%	0.811	78%	0.775	S	S	*	*				108.5	128.7	60.7	-67.5	-175.6	177.4	-175.4	0	112.6
1961	Q	35.6	Very low	35.6	Very low	181.4 Å²	181.4	148.8 Å²	148.8	85%	0.848	77%	0.771	S	S	*	*				160.1	131.7	120.2	-140.5	177.5	0.6	0	0	113.2
1962	V	32.5	Very low	35.8	Very low	121 Å²	121	147.6 Å²	147.6	73%	0.733	77%	0.772	S	S	*	*				160.5	140.8	121	156.9	0	0	0	0	113.4
1963	L	33.6	Very low	35.8	Very low	160.2 Å²	160.2	145.3 Å²	145.3	84%	0.839	77%	0.769	S	S	*	*			trans	71.9	136.5	158.4	-90.4	87.2	0	0	0	117.7
1964	S	34.5	Very low	36.1	Very low	97.6 Å²	97.6	143 Å²	143	68%	0.683	76%	0.761	S	S	*	*				-171.2	143.5	87.4	74.1	0	0	0	0	111.9
1965	I	37.4	Very low	36.4	Very low	156.2 Å²	156.2	147.7 Å²	147.7	80%	0.801	76%	0.761	S	S	*	*			trans	135.6	112.3	151.1	-62	171.3	0	0	0	111.8
1966	K	38.9	Very low	36.6	Very low	190.2 Å²	190.2	144.6 Å²	144.6	83%	0.827	75%	0.75	S	S	*	*				127.6	113	108.8	-145.4	178.4	-179.9	178.5	0	113.7
1967	N	38	Very low	36.7	Very low	154.8 Å²	154.8	148.2 Å²	148.2	83%	0.828	75%	0.752	S	S	*	*			trans	-117.4	150.6	141.4	-138.8	-8.1	0	0	0	111.4
1968	T	35.7	Very low	36.6	Very low	102 Å²	102	148.5 Å²	148.5	63%	0.626	76%	0.755	S	S	*	*			trans	-158.4	116.7	-165.9	-63.9	0	0	0	0	112.8
1969	R	34.3	Very low	36.6	Very low	214 Å²	214	147.6 Å²	147.6	81%	0.808	75%	0.754	S	S	*	*			trans	37.7	131.2	143.2	-65	-175.4	178.3	-167.5	-1.5	116.9
1970	R	37	Very low	36.5	Very low	223 Å²	223	146.5 Å²	146.5	84%	0.842	75%	0.752	S	S	*	*				109.9	136.1	116.9	-76.9	175	137.5	179.4	-3.8	112.6
1971	S	34.7	Very low	36.4	Very low	101.4 Å²	101.4	143.3 Å²	143.3	71%	0.709	74%	0.744	S	S	*	*				-97	131.7	125.1	143.4	0	0	0	0	112.1
1972	L	40.2	Very low	36.4	Very low	152.4 Å²	152.4	139.7 Å²	139.7	80%	0.798	74%	0.739	S	S	*	*			trans	-138.2	0	141.1	-107.6	96.3	0	0	0	108.4	H1974	L1972-H1974 HydrophobicContact CB-CB 4.47Å; L1972-H1974 HydrophobicContact CD2-CB 4.29Å; L1972-H1974 WeakPolarHBondContact CD2-CD2 3.31Å; L1972-H1974 WeakPolarHBondContact CD2-NE2 3.21Å; L1972-H1974 VanDerWaalsContact CG-CD2 3.41Å; L1972-H1974 WeakPolarHBondContact CG-CD2 3.4Å; L1972-H1974 PolarHBondContact O-N 3.1Å
1973	V	36.4	Very low	36.5	Very low	120.8 Å²	120.8	138 Å²	138	73%	0.732	73%	0.733	S	S	*	*				0	0	0	-178.7	0	0	0	0	111.6
1974	H	39.7	Very low	36.6	Very low	146.2 Å²	146.2	135 Å²	135	68%	0.677	73%	0.725	S	S	*	*				0	133.2	0	-83.5	-100.6	0	0	0	117.4	L1972 V1976	L1972-H1974 HydrophobicContact CB-CB 4.47Å; L1972-H1974 HydrophobicContact CD2-CB 4.29Å; L1972-H1974 WeakPolarHBondContact CD2-CD2 3.31Å; L1972-H1974 WeakPolarHBondContact CD2-NE2 3.21Å; L1972-H1974 VanDerWaalsContact CG-CD2 3.41Å; L1972-H1974 WeakPolarHBondContact CG-CD2 3.4Å; L1972-H1974 PolarHBondContact O-N 3.1Å; H1974-V1976 HydrophobicContact CB-CG2 4.17Å; H1974-V1976 PolarHBondContact O-N 3.26Å
1975	R	41.9	Very low	36.5	Very low	180.4 Å²	180.4	137.2 Å²	137.2	68%	0.681	73%	0.729	S	S	*	*				156.1	0	99.9	-113.7	172.4	-73.3	-156	1	109.6	F1977	R1975-F1977 PolarHBondContact O-N 2.75Å
1976	V	38.5	Very low	36.2	Very low	102.2 Å²	102.2	134.5 Å²	134.5	62%	0.619	72%	0.723	S	S	*	*				0	138.9	0	-144.8	0	0	0	0	112.8	H1974	H1974-V1976 HydrophobicContact CB-CG2 4.17Å; H1974-V1976 PolarHBondContact O-N 3.26Å
1977	F	35.2	Very low	35.8	Very low	179.6 Å²	179.6	129.6 Å²	129.6	79%	0.788	71%	0.713	S	S	*	*			trans	110.1	132.2	160.6	-64	-63.5	0	0	0	114.6	R1975	R1975-F1977 PolarHBondContact O-N 2.75Å
1978	A	34	Very low	35.6	Very low	90.2 Å²	90.2	127.7 Å²	127.7	75%	0.745	71%	0.707	S	S	*	*				178.1	120.2	98.7	0	0	0	0	0	110.4
1979	S	35.4	Very low	35.6	Very low	100.4 Å²	100.4	129.6 Å²	129.6	70%	0.702	71%	0.712	S	S	*	*			trans	103.6	132.6	135.2	-54.9	0	0	0	0	113.1	D1981	S1979-D1981 WeakPolarHBondContact CB-OD2 3.14Å; S1979-D1981 PolarHBondContact OG-OD2 3.15Å
1980	T	35.8	Very low	35.5	Very low	115 Å²	115	123.6 Å²	123.6	71%	0.706	70%	0.703	S	S	*	*				146.9	144.3	55.8	56.7	0	0	0	0	111	F2053	T1980-F2053 HydrophobicContact CG2-CD2 3.46Å; T1980-F2053 VanDerWaalsContact CG2-CD2 3.46Å; T1980-F2053 HydrophobicContact CG2-CE2 3.72Å; T1980-F2053 HydrophobicContact CG2-CG 4.35Å
1981	D	36	Very low	35.4	Very low	120.4 Å²	120.4	120.7 Å²	120.7	64%	0.644	70%	0.699	S	S	*	*			trans	90.3	123.8	150.3	-54.9	-22.2	0	0	0	114.7	S1979 H2051 T2052 F2053	S1979-D1981 WeakPolarHBondContact CB-OD2 3.14Å; S1979-D1981 PolarHBondContact OG-OD2 3.15Å; D1981-H2051 PolarHBondContact OD2-N 2.8Å; D1981-T2052 WeakPolarHBondContact OD1-CA 3.42Å; D1981-T2052 PolarHBondContact OD1-N 3.42Å; D1981-T2052 PolarHBondContact OD2-N 2.77Å; D1981-F2053 VanDerWaalsContact N-CD1 3.32Å; D1981-F2053 WeakPolarHBondContact O-CD1 3.36Å; D1981-F2053 PolarHBondContact OD1-N 3.29Å
1982	S	34.7	Very low	35.4	Very low	105.4 Å²	105.4	120.9 Å²	120.9	74%	0.737	70%	0.7	S	S	*	*				179.1	0	82.8	-4.4	0	0	0	0	114.1	T2052 G2054	S1982-T2052 CarbonylContact C-O 3.56Å; S1982-T2052 WeakPolarHBondContact CA-O 3.32Å; S1982-G2054 CarbonylContact O-C 3.04Å; S1982-G2054 WeakPolarHBondContact O-CA 3.33Å; S1982-G2054 PolarHBondContact O-N 3.31Å
1983	S	34.9	Very low	35.2	Very low	86 Å²	86	117.9 Å²	117.9	60%	0.601	69%	0.692	S	S	*	*				0	148	0	51.7	0	0	0	0	115.6	T2052 S2330	S1983-T2052 WeakPolarHBondContact CB-O 3.24Å; S1983-T2052 PolarHBondContact N-O 2.87Å; S1983-T2052 VanDerWaalsContact N-O 3.11Å; S1983-T2052 VanDerWaalsContact OG-CB 3.29Å; S1983-T2052 WeakPolarHBondContact OG-CB 3.43Å; S1983-T2052 PolarHBondContact OG-O 3.21Å; S1983-T2052 PolarHBondContact OG-OG1 3.4Å; S1983-S2330 PolarHBondContact O-OG 2.81Å
1984	S	34.9	Very low	35.4	Very low	96.4 Å²	96.4	118.5 Å²	118.5	67%	0.674	69%	0.691	S	S	*	*			trans	-178.2	0	130.3	-60.6	0	0	0	0	113.5	G2054 L2329 S2330	S1984-G2054 WeakPolarHBondContact OG-CA 3.12Å; S1984-L2329 CarbonylContact O-C 3.39Å; S1984-L2329 WeakPolarHBondContact O-CB 3.47Å; S1984-S2330 CarbonylContact C-O 3.51Å; S1984-S2330 VanDerWaalsContact CA-O 3.24Å; S1984-S2330 WeakPolarHBondContact CA-O 3.2Å; S1984-S2330 WeakPolarHBondContact O-CB 3.49Å; S1984-S2330 PolarHBondContact O-N 3.08Å
1985	L	32.8	Very low	35.4	Very low	144.6 Å²	144.6	118.5 Å²	118.5	76%	0.757	70%	0.696	S	S	*	*				0	128.1	0	-77.7	177.8	0	0	0	116.2	S2330 I2332	L1985-S2330 WeakPolarHBondContact CA-O 3.3Å; L1985-S2330 VanDerWaalsContact CB-O 3.28Å; L1985-S2330 WeakPolarHBondContact CB-O 2.98Å; L1985-S2330 WeakPolarHBondContact CD2-O 3.41Å; L1985-S2330 WeakPolarHBondContact CG-O 2.98Å; L1985-S2330 PolarHBondContact N-O 3.36Å; L1985-I2332 HydrophobicContact CD1-CB 4.25Å; L1985-I2332 VanDerWaalsContact CD1-N 3.34Å; L1985-I2332 VanDerWaalsContact CD1-O 3.23Å; L1985-I2332 WeakPolarHBondContact CD1-O 3.35Å; L1985-I2332 HydrophobicContact CG-CB 4.49Å
1986	S	30.7	Very low	35.3	Very low	98.4 Å²	98.4	116.4 Å²	116.4	69%	0.688	70%	0.698	S	S	*	*			trans	104.7	147.4	134.3	80.9	0	0	0	0	114.4	Q2367	S1986-Q2367 PolarHBondContact OG-NE2 2.9Å; S1986-Q2367 VanDerWaalsContact OG-NE2 3.17Å
1987	S	30.3	Very low	35.3	Very low	87.8 Å²	87.8	118.3 Å²	118.3	61%	0.614	70%	0.704	S	S	*	*			cis	169.9	140.9	40.3	-153.3	0	0	0	0	113	Q2367 I2369	S1987-Q2367 VanDerWaalsContact OG-CD 3.29Å; S1987-Q2367 PolarHBondContact OG-OE1 2.93Å; S1987-I2369 WeakPolarHBondContact O-CB 3.46Å
1988	V	35.2	Very low	35.4	Very low	114.4 Å²	114.4	114 Å²	114	69%	0.693	70%	0.696	S	S	*	*			trans	-31.6	154.4	132.7	-101	0	0	0	0	114.8	T2368 I2369	V1988-T2368 HydrophobicContact CG2-CG2 4.41Å; V1988-I2369 WeakPolarHBondContact O-CG2 3.18Å
1989	I	35	Very low	35.4	Very low	142 Å²	142	116 Å²	116	73%	0.728	69%	0.694	S	S	*	*				-173.6	0	125.1	-29.7	175.3	0	0	0	110.6	T2368 N2370	I1989-T2368 HydrophobicContact CD1-CG2 4.11Å; I1989-T2368 HydrophobicContact CG1-CG2 4.41Å; I1989-N2370 PolarHBondContact O-ND2 3.49Å
1990	S	32.4	Very low	35.5	Very low	89.2 Å²	89.2	117.6 Å²	117.6	62%	0.624	70%	0.695	S	S	*	*				0	144	0	-76.9	0	0	0	0	112.9
1991	E	35.6	Very low	35.5	Very low	161.6 Å²	161.6	119.9 Å²	119.9	76%	0.755	70%	0.698	S	S	*	*				137.4	126.7	86.6	-67.7	161.1	-158.7	0	0	115.1
1992	S	33.5	Very low	35.5	Very low	105.2 Å²	105.2	119.9 Å²	119.9	74%	0.736	70%	0.702	S	S	*	*				79.9	140.6	111.7	94.5	0	0	0	0	116.7	N2412	S1992-N2412 VanDerWaalsContact C-ND2 3.33Å; S1992-N2412 PolarHBondContact O-ND2 3.05Å; S1992-N2412 VanDerWaalsContact O-ND2 3.07Å
1993	S	36.9	Very low	35.5	Very low	89.4 Å²	89.4	119.8 Å²	119.8	63%	0.625	70%	0.701	S	S	*	*				161.2	145.1	97.8	86.5	0	0	0	0	112.3	N2412	S1993-N2412 PolarHBondContact O-ND2 3.47Å
1994	D	39.8	Very low	35.5	Very low	133 Å²	133	122.1 Å²	122.1	71%	0.711	71%	0.707	S	S	*	*			trans	104.7	145.6	140	-68.4	-34.4	0	0	0	114.7
1995	D	40.2	Very low	35.6	Very low	146.6 Å²	146.6	124.7 Å²	124.7	78%	0.784	71%	0.712	S	S	*	*			trans	131.1	0	135.1	-87.3	-24	0	0	0	114.1
1996	D	38.8	Very low	35.5	Very low	135.8 Å²	135.8	122.4 Å²	122.4	73%	0.726	71%	0.708	S	S	*	*				0	0	0	-115.8	-19.6	0	0	0	113.2
1997	L	39.5	Very low	35.7	Very low	143.6 Å²	143.6	124 Å²	124	75%	0.752	71%	0.713	S	S	*	*				0	119.2	0	-77	169	0	0	0	117.3
1998	S	36.6	Very low	35.9	Very low	88.2 Å²	88.2	128.5 Å²	128.5	62%	0.617	72%	0.722	S	S	*	*				51	0	125.7	71	0	0	0	0	118.8
1999	N	35.4	Very low	36	Very low	131.8 Å²	131.8	131.2 Å²	131.2	71%	0.705	73%	0.727	S	S	*	*				0	0	0	-109.1	-39	0	0	0	112.3
2000	N	37.4	Very low	35.9	Very low	135.6 Å²	135.6	132.7 Å²	132.7	73%	0.725	73%	0.731	S	S	*	*				0	0	0	-76.4	-33.3	0	0	0	115
2001	Q	34.9	Very low	36.1	Very low	163 Å²	163	134.9 Å²	134.9	76%	0.762	74%	0.741	S	S	*	*				0	0	0	-86.7	178	33.5	0	0	112.5
2002	V	36	Very low	36.1	Very low	119.8 Å²	119.8	130.5 Å²	130.5	73%	0.726	74%	0.738	S	S	*	*				0	0	0	156.8	0	0	0	0	108.9	D2004	V2002-D2004 HydrophobicContact CG1-CB 3.92Å
2003	S	34.7	Very low	36.2	Very low	103 Å²	103	130.1 Å²	130.1	72%	0.72	74%	0.741	S	S	*	*				0	0	0	-63.5	0	0	0	0	110.9	L2005	S2003-L2005 VanDerWaalsContact C-N 3.3Å; S2003-L2005 PolarHBondContact O-N 2.88Å
2004	D	35.7	Very low	36.2	Very low	134.6 Å²	134.6	131.8 Å²	131.8	72%	0.72	75%	0.748	S	S	*	*				0	131.8	0	-119.5	-21.2	0	0	0	113.7	V2002 S2006	V2002-D2004 HydrophobicContact CG1-CB 3.92Å; D2004-S2006 PolarHBondContact O-N 3.45Å; D2004-S2006 PolarHBondContact OD1-N 3.26Å
2005	L	35.6	Very low	35.8	Very low	151.6 Å²	151.6	133.4 Å²	133.4	79%	0.794	75%	0.751	S	S	*	*			trans	60.7	0	145.7	-72.1	162.7	0	0	0	114	S2003	S2003-L2005 VanDerWaalsContact C-N 3.3Å; S2003-L2005 PolarHBondContact O-N 2.88Å
2006	S	30.4	Very low	35.6	Very low	95.2 Å²	95.2	133 Å²	133	67%	0.666	75%	0.748	S	S	*	*				0	126.7	0	88	0	0	0	0	113.6	D2004	D2004-S2006 PolarHBondContact O-N 3.45Å; D2004-S2006 PolarHBondContact OD1-N 3.26Å
2007	V	35.6	Very low	35.3	Very low	131.8 Å²	131.8	131.9 Å²	131.9	80%	0.799	75%	0.746	S	S	*	*			trans	140.3	0	133	161.2	0	0	0	0	113.4
2008	K	35.7	Very low	35	Very low	182.2 Å²	182.2	132.7 Å²	132.7	79%	0.792	75%	0.746	S	S	*	*				0	135.5	0	-87.8	175.2	162.5	-160.8	0	115.2
2009	E	35.8	Very low	34.8	Very low	172 Å²	172	135.6 Å²	135.6	80%	0.804	75%	0.749	S	S	*	*				106.4	123.1	129.7	-125	168.5	154.5	0	0	111.7
2010	E	33.5	Very low	34.7	Very low	174 Å²	174	135.4 Å²	135.4	81%	0.813	75%	0.748	S	S	*	*				76.1	141.4	83.1	-127.4	-172.4	142.6	0	0	113.8
2011	V	35.9	Very low	34.4	Very low	135.6 Å²	135.6	135.5 Å²	135.5	82%	0.822	75%	0.749	S	S	*	*			trans	102.3	0	169.2	177.5	0	0	0	0	113.2
2012	G	35.5	Very low	34.2	Very low	67.8 Å²	67.8	138 Å²	138	70%	0.699	75%	0.753	S	S	*	*				0	95.6	0	0	0	0	0	0	117.5
2013	A	35.6	Very low	33.9	Very low	96.6 Å²	96.6	140.6 Å²	140.6	80%	0.798	76%	0.757	S	S	*	*			trans	48.4	150.8	152.4	0	0	0	0	0	115.9
2014	T	36.7	Very low	33.8	Very low	125 Å²	125	140.6 Å²	140.6	77%	0.767	76%	0.755	S	S	*	*			trans	138.8	125.9	136.8	-15.6	0	0	0	0	113.5
2015	E	32.3	Very low	33.7	Very low	166.6 Å²	166.6	141.1 Å²	141.1	78%	0.779	76%	0.756	S	S	*	*			trans	66.8	148.3	146.6	-155.4	-175.3	162.8	0	0	114.5
2016	I	35.5	Very low	33.6	Very low	140 Å²	140	141.6 Å²	141.6	72%	0.718	75%	0.754	S	S	*	*				151.9	125.7	128.6	-64	171	0	0	0	111.7
2017	T	33.5	Very low	33.7	Very low	111.4 Å²	111.4	141.5 Å²	141.5	68%	0.683	75%	0.753	S	S	*	*			trans	9.2	136.4	145.9	-34.9	0	0	0	0	115.2	E2019	T2017-E2019 HydrophobicContact CG2-CG 4.33Å
2018	Q	32.9	Very low	33.7	Very low	161.6 Å²	161.6	144.2 Å²	144.2	76%	0.755	75%	0.754	S	S	*	*				127.9	0	117.6	-154.7	167.7	9.6	0	0	116
2019	E	33	Very low	33.6	Very low	148.2 Å²	148.2	141 Å²	141	69%	0.693	76%	0.755	S	S	*	*				0	141.2	0	-79.1	179.2	164.6	0	0	119.9	T2017	T2017-E2019 HydrophobicContact CG2-CG 4.33Å
2020	N	31.5	Very low	33.7	Very low	127.4 Å²	127.4	138.4 Å²	138.4	68%	0.681	75%	0.753	S	S	*	*				100.9	0	128.3	-87.7	-31.2	0	0	0	118.1
2021	N	32.6	Very low	33.6	Very low	137.6 Å²	137.6	139.4 Å²	139.4	74%	0.736	76%	0.755	S	S	*	*				0	0	0	-99.2	-53.4	0	0	0	114.9
2022	Y	29.2	Very low	33.4	Very low	215.4 Å²	215.4	140.2 Å²	140.2	85%	0.845	75%	0.753	S	S	*	*				0	0	0	-83.8	-82.1	0	0	0	114.9
2023	Q	30.9	Very low	33.3	Very low	174.6 Å²	174.6	144.5 Å²	144.5	82%	0.816	76%	0.755	S	S	*	*				0	0	0	-94.9	-147.4	13.3	0	0	113.1
2024	P	33.3	Very low	33.2	Very low	102.8 Å²	102.8	146.5 Å²	146.5	67%	0.668	75%	0.752	S	S	*	*				0	0	0	35.5	-15.8	0	0	0	114.8
2025	I	32.7	Very low	32.9	Very low	145.6 Å²	145.6	145.3 Å²	145.3	75%	0.747	75%	0.748	S	S	*	*				0	118.8	0	-60.5	171.8	0	0	0	115.7
2026	E	34	Very low	32.9	Very low	162.6 Å²	162.6	147.8 Å²	147.8	76%	0.76	75%	0.751	S	S	*	*				49	126.6	124.9	-65.1	-156.7	172.2	0	0	117.7	K2028	E2026-K2028 IonicContact OE2-NZ 3Å
2027	S	31.9	Very low	32.7	Very low	92 Å²	92	146.4 Å²	146.4	64%	0.643	75%	0.754	S	S	*	*				109.8	146.2	110.1	78	0	0	0	0	116
2028	K	36.2	Very low	32.5	Very low	188.4 Å²	188.4	147.1 Å²	147.1	82%	0.819	76%	0.761	S	S	*	*				120.4	121	105	-79.6	168.8	-166.6	159.6	0	114.2	E2026 P2030	E2026-K2028 IonicContact OE2-NZ 3Å; K2028-P2030 WeakPolarHBondContact O-CD 3.41Å
2029	S	32.3	Very low	32.6	Very low	115.4 Å²	115.4	144.2 Å²	144.2	81%	0.807	76%	0.759	S	S	*	*			trans	-50.2	154.7	162.5	24.5	0	0	0	0	114.5
2030	P	37.7	Very low	32.7	Very low	118.2 Å²	118.2	142.6 Å²	142.6	77%	0.768	76%	0.762	S	S	*	*				-125.4	150.7	98	27.2	-9.7	0	0	0	112.8	K2028	K2028-P2030 WeakPolarHBondContact O-CD 3.41Å
2031	K	31.6	Very low	33.1	Very low	194.2 Å²	194.2	143.9 Å²	143.9	84%	0.844	76%	0.763	S	S	*	*			trans	-30.5	120.4	135.7	-92.6	178.2	177.3	173.8	0	113.7
2032	L	33.3	Very low	33.4	Very low	152.2 Å²	152.2	144.2 Å²	144.2	80%	0.797	77%	0.765	S	S	*	*			trans	-170.5	123.8	133.8	-73.1	173.3	0	0	0	108.8
2033	Q	32.6	Very low	33.9	Very low	158.6 Å²	158.6	140.9 Å²	140.9	74%	0.741	76%	0.761	S	S	*	*				93	113.8	70.4	-84.7	-168.3	-8.5	0	0	112.6	S2035	Q2033-S2035 VanDerWaalsContact C-N 3.27Å; Q2033-S2035 PolarHBondContact O-N 3.07Å
2034	L	32.5	Very low	34	Very low	139.6 Å²	139.6	141.3 Å²	141.3	73%	0.731	76%	0.763	S	S	*	*			trans	-87.2	0	130.1	-133.8	81.8	0	0	0	113.3	R2036	L2034-R2036 HydrophobicContact CD2-CG 4.23Å
2035	S	30.6	Very low	34.2	Very low	98 Å²	98	140.5 Å²	140.5	69%	0.685	77%	0.765	S	S	*	*				0	118.7	0	-42.8	0	0	0	0	116.1	Q2033	Q2033-S2035 VanDerWaalsContact C-N 3.27Å; Q2033-S2035 PolarHBondContact O-N 3.07Å
2036	R	33.9	Very low	34.4	Very low	220.2 Å²	220.2	140.6 Å²	140.6	83%	0.831	77%	0.767	S	S	*	*			trans	-104.8	109	158.3	-70	176.5	-178.3	-161.9	1.4	111.1	L2034	L2034-R2036 HydrophobicContact CD2-CG 4.23Å
2037	S	30.6	Very low	34.3	Very low	111.2 Å²	111.2	137 Å²	137	78%	0.778	77%	0.765	S	S	*	*				65.3	124.6	117.9	68.5	0	0	0	0	114.7
2038	C	29.3	Very low	34.5	Very low	125.4 Å²	125.4	136.3 Å²	136.3	85%	0.847	77%	0.765	S	S	*	*			trans	-138	122.2	160.6	-80.4	0	0	0	0	114.2
2039	S	34	Very low	34.9	Very low	100.8 Å²	100.8	134.1 Å²	134.1	71%	0.705	76%	0.761	S	S	*	*			trans	35.2	137.6	145.2	-136.6	0	0	0	0	115	E2041	S2039-E2041 PolarHBondContact O-N 3.45Å; S2039-E2041 PolarHBondContact OG-OE2 2.88Å
2040	P	36.8	Very low	35.2	Very low	114.6 Å²	114.6	139.3 Å²	139.3	74%	0.744	76%	0.763	S	S	*	*			trans	-107	93.6	135.2	39.5	-24.6	0	0	0	114.6
2041	E	39.6	Very low	35.4	Very low	153.8 Å²	153.8	140.2 Å²	140.2	72%	0.719	76%	0.757	S	S	*	*			trans	-101.8	114	168.3	-101.6	86.9	-179.9	0	0	114.1	S2039	S2039-E2041 PolarHBondContact O-N 3.45Å; S2039-E2041 PolarHBondContact OG-OE2 2.88Å
2042	D	38.5	Very low	35.8	Very low	143.8 Å²	143.8	136.1 Å²	136.1	77%	0.769	75%	0.748	S	S	*	*			trans	153.1	106.6	147.8	-106	-17.3	0	0	0	112.1
2043	L	39.2	Very low	36	Very low	146.8 Å²	146.8	138.3 Å²	138.3	77%	0.769	75%	0.751	S	S	*	*				-149.6	0	105	-71.2	167.1	0	0	0	112.3	A2045 T2425	L2043-A2045 HydrophobicContact CB-CB 4.13Å; L2043-A2045 PolarHBondContact O-N 2.99Å; L2043-T2425 HydrophobicContact CD1-CG2 4.36Å
2044	Q	33.7	Very low	36.2	Very low	183.8 Å²	183.8	133.2 Å²	133.2	86%	0.859	74%	0.741	S	S	*	*				0	98.2	0	-77.4	176.9	16.5	0	0	112.7
2045	A	36.7	Very low	36.3	Very low	85.4 Å²	85.4	130.3 Å²	130.3	71%	0.706	74%	0.738	S	S	*	*			trans	155.7	0	147.7	0	0	0	0	0	114.2	L2043 T2425	L2043-A2045 HydrophobicContact CB-CB 4.13Å; L2043-A2045 PolarHBondContact O-N 2.99Å; A2045-T2425 HydrophobicContact CB-CG2 3.67Å
2046	D	36.8	Very low	36.7	Very low	147 Å²	147	134.8 Å²	134.8	79%	0.786	75%	0.745	S	S	*	*				0	106.4	0	-149.6	6.2	0	0	0	111.6	A2048 I2049	D2046-A2048 VanDerWaalsContact C-N 3.28Å; D2046-A2048 PolarHBondContact O-N 3.31Å; D2046-A2048 VanDerWaalsContact O-N 3.16Å; D2046-A2048 WeakPolarHBondContact OD1-CB 3.34Å; D2046-A2048 PolarHBondContact OD1-N 3.34Å; D2046-I2049 WeakPolarHBondContact OD2-CD1 3.47Å
2047	A	33.2	Very low	37.1	Very low	86.8 Å²	86.8	130.3 Å²	130.3	72%	0.717	74%	0.743	S	S	*	*			trans	62	70.3	138.7	0	0	0	0	0	113.9	H2051	A2047-H2051 PolarHBondContact O-CD2 3.34Å
2048	A	36.4	Very low	37.3	Very low	79 Å²	79	128.9 Å²	128.9	65%	0.653	74%	0.737	S	S	*	*			trans	-147.9	74.3	163.6	0	0	0	0	0	113.4	D2046 R2050	D2046-A2048 VanDerWaalsContact C-N 3.28Å; D2046-A2048 PolarHBondContact O-N 3.31Å; D2046-A2048 VanDerWaalsContact O-N 3.16Å; D2046-A2048 WeakPolarHBondContact OD1-CB 3.34Å; D2046-A2048 PolarHBondContact OD1-N 3.34Å; A2048-R2050 PolarHBondContact O-N 3.12Å
2049	I	42.7	Very low	38.1	Very low	141.8 Å²	141.8	128.2 Å²	128.2	73%	0.727	73%	0.731	S	S	*	*			trans	68.7	76	138.7	-54.4	171.6	0	0	0	113.3	D2046 H2051	D2046-I2049 WeakPolarHBondContact OD2-CD1 3.47Å; I2049-H2051 WeakPolarHBondContact CG2-NE2 3.33Å; I2049-H2051 PolarHBondContact O-N 3.21Å
2050	R	38.7	Very low	38.3	Very low	223.2 Å²	223.2	132.5 Å²	132.5	84%	0.842	74%	0.738	S	S	*	*			trans	175.9	98.7	147.4	-67.6	-179.9	178.5	-153.7	2.1	113.1	A2048	A2048-R2050 PolarHBondContact O-N 3.12Å
2051	H	42.1	Very low	38.4	Very low	137.6 Å²	137.6	133.9 Å²	133.9	64%	0.637	74%	0.738	S	S	*	*			trans	-165.8	107.5	137.2	-86.6	-75.5	0	0	0	113.2	D1981 A2047 I2049	D1981-H2051 PolarHBondContact OD2-N 2.8Å; A2047-H2051 PolarHBondContact O-CD2 3.34Å; I2049-H2051 WeakPolarHBondContact CG2-NE2 3.33Å; I2049-H2051 PolarHBondContact O-N 3.21Å
2052	T	40	Very low	38	Very low	108.2 Å²	108.2	131.3 Å²	131.3	66%	0.664	74%	0.735	S	S	*	*			trans	179.8	109.1	134.8	29.4	0	0	0	0	112.9	D1981 S1982 S1983 G2054	D1981-T2052 WeakPolarHBondContact OD1-CA 3.42Å; D1981-T2052 PolarHBondContact OD1-N 3.42Å; D1981-T2052 PolarHBondContact OD2-N 2.77Å; S1982-T2052 CarbonylContact C-O 3.56Å; S1982-T2052 WeakPolarHBondContact CA-O 3.32Å; S1983-T2052 WeakPolarHBondContact CB-O 3.24Å; S1983-T2052 PolarHBondContact N-O 2.87Å; S1983-T2052 VanDerWaalsContact N-O 3.11Å; S1983-T2052 VanDerWaalsContact OG-CB 3.29Å; S1983-T2052 WeakPolarHBondContact OG-CB 3.43Å; S1983-T2052 PolarHBondContact OG-O 3.21Å; S1983-T2052 PolarHBondContact OG-OG1 3.4Å; T2052-G2054 PolarHBondContact O-N 3.04Å; T2052-G2054 VanDerWaalsContact O-N 3.14Å
2053	F	38.6	Very low	38	Very low	198 Å²	198	133.2 Å²	133.2	87%	0.868	74%	0.737	S	S	*	*	S	Bend	trans	-71.8	0	141.9	-75.3	-78.1	0	0	0	112.4	T1980 D1981 A2055	T1980-F2053 HydrophobicContact CG2-CD2 3.46Å; T1980-F2053 VanDerWaalsContact CG2-CD2 3.46Å; T1980-F2053 HydrophobicContact CG2-CE2 3.72Å; T1980-F2053 HydrophobicContact CG2-CG 4.35Å; D1981-F2053 VanDerWaalsContact N-CD1 3.32Å; D1981-F2053 WeakPolarHBondContact O-CD1 3.36Å; D1981-F2053 PolarHBondContact OD1-N 3.29Å; F2053-A2055 PolarHBondContact O-N 2.99Å
2054	G	36.9	Very low	37.9	Very low	51.4 Å²	51.4	134.6 Å²	134.6	53%	0.53	74%	0.737	S	S	.	*				0	88.8	0	0	0	0	0	0	113.2	S1982 S1984 T2052 F2056	S1982-G2054 CarbonylContact O-C 3.04Å; S1982-G2054 WeakPolarHBondContact O-CA 3.33Å; S1982-G2054 PolarHBondContact O-N 3.31Å; S1984-G2054 WeakPolarHBondContact OG-CA 3.12Å; T2052-G2054 PolarHBondContact O-N 3.04Å; T2052-G2054 VanDerWaalsContact O-N 3.14Å; G2054-F2056 PolarHBondContact O-N 2.72Å
2055	A	34.8	Very low	37.9	Very low	79.6 Å²	79.6	131.5 Å²	131.5	66%	0.658	73%	0.73	S	S	*	*			trans	151.6	88.2	164.8	0	0	0	0	0	114.5	F2053 T2057	F2053-A2055 PolarHBondContact O-N 2.99Å; A2055-T2057 WeakPolarHBondContact CB-OG1 2.71Å; A2055-T2057 PolarHBondContact O-N 2.89Å
2056	F	37.7	Very low	37.8	Very low	191.6 Å²	191.6	133.9 Å²	133.9	84%	0.84	73%	0.732	S	S	*	*			trans	-120.9	75.1	155.5	-66.7	-84.9	0	0	0	113.1	G2054 A2058 S2331 I2332	G2054-F2056 PolarHBondContact O-N 2.72Å; F2056-A2058 PolarHBondContact O-N 2.89Å; F2056-S2331 CarbonylContact C-O 3.17Å; F2056-S2331 CarbonylContact O-C 3.5Å; F2056-S2331 PolarHBondContact O-OG 2.79Å; F2056-I2332 HydrophobicContact CB-CB 4.1Å; F2056-I2332 HydrophobicContact CB-CG1 3.99Å; F2056-I2332 HydrophobicContact CB-CG2 4.03Å; F2056-I2332 HydrophobicContact CD2-CD1 4.22Å; F2056-I2332 HydrophobicContact CD2-CG1 4.38Å; F2056-I2332 HydrophobicContact CD2-CG2 4.03Å; F2056-I2332 HydrophobicContact CG-CG2 4.26Å; F2056-I2332 WeakPolarHBondContact O-CA 3.16Å; F2056-I2332 PolarHBondContact O-N 3.43Å
2057	T	42.9	Very low	37.6	Very low	127 Å²	127	132.9 Å²	132.9	78%	0.779	73%	0.731	S	S	*	*			trans	-134.3	128.4	146.7	28.1	0	0	0	0	111.3	A2055 S2331	A2055-T2057 WeakPolarHBondContact CB-OG1 2.71Å; A2055-T2057 PolarHBondContact O-N 2.89Å; T2057-S2331 VanDerWaalsContact CA-OG 3.26Å; T2057-S2331 WeakPolarHBondContact CA-OG 3.22Å
2058	A	35.5	Very low	37.6	Very low	80.4 Å²	80.4	133.2 Å²	133.2	66%	0.664	73%	0.727	S	S	*	*			trans	-96.8	151	158.5	0	0	0	0	0	109.5	F2056 F2060 S2331	F2056-A2058 PolarHBondContact O-N 2.89Å; A2058-F2060 PolarHBondContact O-N 2.99Å; A2058-S2331 VanDerWaalsContact N-CB 3.31Å; A2058-S2331 PolarHBondContact N-OG 3.16Å; A2058-S2331 VanDerWaalsContact O-CB 3.26Å; A2058-S2331 WeakPolarHBondContact O-CB 3.11Å; A2058-S2331 PolarHBondContact O-OG 3.19Å
2059	P	44.6	Very low	37.7	Very low	111 Å²	111	137.8 Å²	137.8	72%	0.721	74%	0.735	S	S	*	*			trans	-92	0	-159.1	27.8	-16.7	0	0	0	112.6	I2061	P2059-I2061 PolarHBondContact O-N 3.41Å
2060	F	38.8	Very low	37.1	Very low	191.6 Å²	191.6	136.3 Å²	136.3	84%	0.84	74%	0.737	S	S	*	*				0	129.7	0	-77.4	-84.9	0	0	0	111.5	A2058 C2062	A2058-F2060 PolarHBondContact O-N 2.99Å; F2060-C2062 PolarHBondContact O-N 3.36Å
2061	I	38.3	Very low	36.8	Very low	144.6 Å²	144.6	131.1 Å²	131.1	74%	0.742	74%	0.735	S	S	*	*			trans	-68.4	112.8	143.9	-54.4	168.7	0	0	0	110.3	P2059 F2063	P2059-I2061 PolarHBondContact O-N 3.41Å; I2061-F2063 HydrophobicContact CG2-CD2 3.91Å; I2061-F2063 HydrophobicContact CG2-CE1 4.49Å; I2061-F2063 HydrophobicContact CG2-CE2 3.66Å; I2061-F2063 VanDerWaalsContact CG2-CE2 3.47Å; I2061-F2063 HydrophobicContact CG2-CG 4.35Å; I2061-F2063 HydrophobicContact CG2-CZ 4.08Å; I2061-F2063 PolarHBondContact O-N 2.98Å
2062	C	32.5	Very low	36.4	Very low	99 Å²	99	128.5 Å²	128.5	67%	0.669	74%	0.738	S	S	*	*			trans	-92.9	120.7	163.3	-158.2	0	0	0	0	111.6	F2060 K2064	F2060-C2062 PolarHBondContact O-N 3.36Å; C2062-K2064 VanDerWaalsContact C-N 3.34Å; C2062-K2064 PolarHBondContact O-N 2.86Å
2063	F	37.3	Very low	36.1	Very low	183.2 Å²	183.2	130.5 Å²	130.5	80%	0.804	74%	0.742	S	S	*	*			trans	-89.5	106	154.9	-69.9	-73.8	0	0	0	112.7	I2061 T2065	I2061-F2063 HydrophobicContact CG2-CD2 3.91Å; I2061-F2063 HydrophobicContact CG2-CE1 4.49Å; I2061-F2063 HydrophobicContact CG2-CE2 3.66Å; I2061-F2063 VanDerWaalsContact CG2-CE2 3.47Å; I2061-F2063 HydrophobicContact CG2-CG 4.35Å; I2061-F2063 HydrophobicContact CG2-CZ 4.08Å; I2061-F2063 PolarHBondContact O-N 2.98Å; F2063-T2065 VanDerWaalsContact C-N 3.33Å; F2063-T2065 PolarHBondContact O-N 3.37Å
2064	K	37.5	Very low	35.9	Very low	177.4 Å²	177.4	130.9 Å²	130.9	77%	0.771	74%	0.738	S	S	*	*			trans	-99.8	114.3	152.7	-86.4	-169.5	170.4	-162.8	0	113.7	C2062	C2062-K2064 VanDerWaalsContact C-N 3.34Å; C2062-K2064 PolarHBondContact O-N 2.86Å
2065	T	34.9	Very low	35.9	Very low	117.4 Å²	117.4	136 Å²	136	72%	0.72	75%	0.748	S	S	*	*			trans	-89	121.6	137.4	38.8	0	0	0	0	113.2	F2063	F2063-T2065 VanDerWaalsContact C-N 3.33Å; F2063-T2065 PolarHBondContact O-N 3.37Å
2066	D	33.6	Very low	35.9	Very low	137 Å²	137	139.2 Å²	139.2	73%	0.733	75%	0.754	S	S	*	*				-107	142.8	119.9	-83.1	-41	0	0	0	112.9
2067	T	33.4	Very low	35.7	Very low	124.2 Å²	124.2	134.3 Å²	134.3	76%	0.762	75%	0.749	S	S	*	*				170	0	100.7	-48.2	0	0	0	0	112.3
2068	S	33.2	Very low	35.5	Very low	93.2 Å²	93.2	133.5 Å²	133.5	65%	0.652	75%	0.746	S	S	*	*				0	146.2	0	59.9	0	0	0	0	112.8
2069	H	37.4	Very low	35.5	Very low	177.2 Å²	177.2	137.5 Å²	137.5	82%	0.82	75%	0.751	S	S	*	*			trans	-176	125.3	160.4	-64.8	-64	0	0	0	110.4
2070	S	30.4	Very low	34.9	Very low	109.4 Å²	109.4	136.9 Å²	136.9	77%	0.765	75%	0.749	S	S	*	*				120.3	122.3	66.6	-174.4	0	0	0	0	112.8
2071	S	33.1	Very low	34.8	Very low	113.4 Å²	113.4	133.4 Å²	133.4	79%	0.793	74%	0.744	S	S	*	*			trans	135	143.6	135.9	-41.4	0	0	0	0	114.5
2072	A	32.1	Very low	34.6	Very low	84 Å²	84	133.3 Å²	133.3	69%	0.694	75%	0.745	S	S	*	*			trans	-176.6	146.2	151.6	0	0	0	0	0	112.9
2073	I	35	Very low	34.9	Very low	149.2 Å²	149.2	134 Å²	134	77%	0.765	75%	0.746	S	S	*	*				136.1	0	115.8	-78	163.3	0	0	0	111.9
2074	R	34.1	Very low	34.7	Very low	208 Å²	208	131.4 Å²	131.4	79%	0.785	74%	0.74	S	S	*	*				0	135.2	0	-84.7	-173.1	-138.8	-154.3	1.9	115.2
2075	H	37.4	Very low	34.8	Very low	157 Å²	157	129.7 Å²	129.7	73%	0.727	74%	0.738	S	S	*	*			trans	70.5	0	136.3	-74.5	-78.2	0	0	0	119
2076	N	34.6	Very low	34.8	Very low	148.4 Å²	148.4	132.5 Å²	132.5	79%	0.794	74%	0.74	S	S	*	*				0	0	0	-84.6	-10	0	0	0	115.1
2077	A	33.7	Very low	34.9	Very low	87.8 Å²	87.8	135.2 Å²	135.2	73%	0.726	75%	0.746	S	S	*	*				0	170.5	0	0	0	0	0	0	113.6
2078	P	37.3	Very low	34.8	Very low	110 Å²	110	134.4 Å²	134.4	71%	0.714	75%	0.745	S	S	*	*			cis	-132.9	168.4	45.5	30	-10.5	0	0	0	113.5
2079	Q	36.5	Very low	35.1	Very low	164.4 Å²	164.4	135.6 Å²	135.6	77%	0.768	75%	0.751	S	S	*	*				64.1	123.2	112.5	-79.9	168.7	7.9	0	0	114.4	G1945	G1945-Q2079 PolarHBondContact O-NE2 3.46Å; G1945-Q2079 PolarHBondContact O-OE1 3.06Å
2080	S	32	Very low	34.8	Very low	99.4 Å²	99.4	132.2 Å²	132.2	70%	0.695	75%	0.747	S	S	*	*				141.5	146.5	55.2	65.7	0	0	0	0	112.6
2081	T	36.7	Very low	35	Very low	118.2 Å²	118.2	131.8 Å²	131.8	73%	0.725	75%	0.745	S	S	*	*				116.3	130.8	128.1	14.9	0	0	0	0	112.2
2082	D	32.9	Very low	35.2	Very low	141 Å²	141	135.2 Å²	135.2	75%	0.754	75%	0.748	S	S	*	*				73.2	122.9	96.2	-85.5	-27	0	0	0	116.8
2083	V	40.4	Very low	35.4	Very low	115.2 Å²	115.2	138.5 Å²	138.5	70%	0.698	75%	0.754	S	S	*	*				-161.4	124.1	124.1	-104.8	0	0	0	0	111.1	I2085	V2083-I2085 HydrophobicContact CB-CD1 4.07Å; V2083-I2085 HydrophobicContact CG2-CD1 3.49Å; V2083-I2085 VanDerWaalsContact CG2-CD1 3.49Å; V2083-I2085 WeakPolarHBondContact O-CD1 3.38Å; V2083-I2085 PolarHBondContact O-N 3.32Å
2084	N	33.2	Very low	35.4	Very low	127.8 Å²	127.8	136.5 Å²	136.5	68%	0.683	75%	0.753	S	S	*	*				48.5	103	100.4	-152.2	14.4	0	0	0	115.6	L1598 L1599	L1598-N2084 WeakPolarHBondContact CA-ND2 3.42Å; L1598-N2084 PolarHBondContact N-ND2 3.41Å; L1598-N2084 VanDerWaalsContact N-ND2 3.11Å; L1599-N2084 HydrophobicContact CD1-CB 4.43Å; L1599-N2084 HydrophobicContact CD2-CB 4.1Å; L1599-N2084 HydrophobicContact CG-CB 3.89Å; L1599-N2084 WeakPolarHBondContact CG-ND2 3.46Å
2085	I	39.7	Very low	35.4	Very low	141.4 Å²	141.4	136.2 Å²	136.2	73%	0.725	76%	0.757	S	S	*	*			trans	-155.5	127.4	142.2	-89.4	144.6	0	0	0	107.9	V2083 F2087	V2083-I2085 HydrophobicContact CB-CD1 4.07Å; V2083-I2085 HydrophobicContact CG2-CD1 3.49Å; V2083-I2085 VanDerWaalsContact CG2-CD1 3.49Å; V2083-I2085 WeakPolarHBondContact O-CD1 3.38Å; V2083-I2085 PolarHBondContact O-N 3.32Å; I2085-F2087 HydrophobicContact CG2-CD2 3.92Å; I2085-F2087 VanDerWaalsContact CG2-CD2 3.43Å; I2085-F2087 HydrophobicContact CG2-CE2 3.89Å; I2085-F2087 HydrophobicContact CG2-CG 4.46Å
2086	K	33.7	Very low	35.4	Very low	176.6 Å²	176.6	133.9 Å²	133.9	77%	0.768	76%	0.756	S	S	*	*			trans	-18.9	123	147.4	-78.8	-179.1	179.4	-179.7	0	113.4
2087	F	35.7	Very low	35.5	Very low	193 Å²	193	132.8 Å²	132.8	85%	0.846	76%	0.755	S	S	*	*				-151.1	120.8	119.2	-87.8	-73.9	0	0	0	110.1	I2085	I2085-F2087 HydrophobicContact CG2-CD2 3.92Å; I2085-F2087 VanDerWaalsContact CG2-CD2 3.43Å; I2085-F2087 HydrophobicContact CG2-CE2 3.89Å; I2085-F2087 HydrophobicContact CG2-CG 4.46Å
2088	S	30.9	Very low	35.6	Very low	108 Å²	108	133.8 Å²	133.8	76%	0.755	76%	0.755	S	S	*	*			trans	-93.7	158.2	144.3	-50.3	0	0	0	0	109.7
2089	P	39.9	Very low	36	Very low	118.2 Å²	118.2	134.2 Å²	134.2	77%	0.768	76%	0.757	S	S	*	*				-138.5	0	79.4	33.2	-13.3	0	0	0	114.2
2090	S	31	Very low	36.1	Very low	106.2 Å²	106.2	132.6 Å²	132.6	74%	0.743	76%	0.759	S	S	*	*				0	0	0	71.2	0	0	0	0	115.2
2091	S	35.7	Very low	36.6	Very low	101.6 Å²	101.6	134.8 Å²	134.8	71%	0.71	76%	0.762	S	S	*	*				0	0	0	47	0	0	0	0	109.9
2092	E	36.5	Very low	36.7	Very low	183.2 Å²	183.2	134.3 Å²	134.3	86%	0.856	76%	0.761	S	S	*	*				0	119.7	0	-65.9	178.8	138.8	0	0	114.5
2093	D	35.7	Very low	36.9	Very low	153.8 Å²	153.8	135.3 Å²	135.3	82%	0.822	76%	0.763	S	S	*	*				-139.4	0	95.8	-138.8	-27.1	0	0	0	110.5
2094	S	36.5	Very low	36.8	Very low	107 Å²	107	135 Å²	135	75%	0.748	76%	0.761	S	S	*	*				0	113.2	0	-69.6	0	0	0	0	114.6
2095	K	33.2	Very low	36.9	Very low	201 Å²	201	135.4 Å²	135.4	87%	0.874	76%	0.764	S	S	*	*			trans	-47.2	137.5	141.8	-98.1	176.7	179.2	175.6	0	113.3
2096	P	38.2	Very low	36.7	Very low	109.4 Å²	109.4	133.5 Å²	133.5	71%	0.71	76%	0.763	S	S	*	*				-122.6	165.6	-128.3	39.1	-21.1	0	0	0	114.5
2097	T	36.9	Very low	36.8	Very low	125.8 Å²	125.8	130.4 Å²	130.4	77%	0.772	76%	0.764	S	S	*	*			trans	48	0	154.7	-46.3	0	0	0	0	116.4	P2099	T2097-P2099 WeakPolarHBondContact O-CD 3.32Å
2098	P	35.9	Very low	36.9	Very low	109.6 Å²	109.6	130.6 Å²	130.6	71%	0.712	76%	0.764	S	S	*	*				0	154.9	0	30.1	-18.6	0	0	0	112.4	T2100	P2098-T2100 VanDerWaalsContact C-N 3.35Å; P2098-T2100 PolarHBondContact O-N 2.85Å
2099	P	43.8	Very low	37.2	Very low	118.4 Å²	118.4	130.5 Å²	130.5	77%	0.769	76%	0.764	S	S	*	*			trans	-91.4	127.2	178.2	33.4	-24	0	0	0	112.8	T2097 L2101	T2097-P2099 WeakPolarHBondContact O-CD 3.32Å; P2099-L2101 PolarHBondContact O-N 2.86Å
2100	T	39.5	Very low	37.1	Very low	130.6 Å²	130.6	127.8 Å²	127.8	80%	0.801	76%	0.757	S	S	*	*			trans	-100.9	0	166.7	-34.6	0	0	0	0	109.3	P2098	P2098-T2100 VanDerWaalsContact C-N 3.35Å; P2098-T2100 PolarHBondContact O-N 2.85Å
2101	L	42.2	Very low	37.4	Very low	144 Å²	144	129.4 Å²	129.4	75%	0.754	76%	0.757	S	S	*	*				0	147.7	0	-72.7	172	0	0	0	112	P2099 M2103 W2130	P2099-L2101 PolarHBondContact O-N 2.86Å; L2101-M2103 HydrophobicContact CB-CG 3.95Å; L2101-M2103 PolarHBondContact O-N 3.09Å; L2101-W2130 HydrophobicContact CD1-CZ2 4.48Å
2102	P	39.1	Very low	37.4	Very low	108.4 Å²	108.4	131.4 Å²	131.4	70%	0.704	76%	0.756	S	S	*	*			trans	-80.2	0	175.9	32.5	-30.2	0	0	0	111.9	T2104 H2127	P2102-T2104 PolarHBondContact O-N 3.04Å; P2102-H2127 PolarHBondContact O-CE1 2.89Å; P2102-H2127 PolarHBondContact O-ND1 3.14Å
2103	M	37.7	Very low	37.3	Very low	161.6 Å²	161.6	130.5 Å²	130.5	80%	0.796	75%	0.751	S	S	*	*				0	110.6	0	-75	178.4	65.3	0	0	109	L2101	L2101-M2103 HydrophobicContact CB-CG 3.95Å; L2101-M2103 PolarHBondContact O-N 3.09Å
2104	T	37.6	Very low	37.3	Very low	109.8 Å²	109.8	127.4 Å²	127.4	67%	0.674	74%	0.742	S	S	*	*			trans	-122.6	110.1	146.5	54.8	0	0	0	0	110.5	P2102 S2106 H2127	P2102-T2104 PolarHBondContact O-N 3.04Å; T2104-S2106 VanDerWaalsContact C-N 3.33Å; T2104-S2106 PolarHBondContact O-N 3.29Å; T2104-H2127 PolarHBondContact O-CD2 3.13Å; T2104-H2127 PolarHBondContact OG1-CD2 2.92Å; T2104-H2127 VanDerWaalsContact OG1-CD2 3.23Å; T2104-H2127 PolarHBondContact OG1-NE2 3.17Å; T2104-H2127 VanDerWaalsContact OG1-NE2 3.09Å
2105	D	35.9	Very low	37.2	Very low	136.6 Å²	136.6	129.1 Å²	129.1	73%	0.73	74%	0.743	S	S	*	*			trans	-147.8	107.4	157	36.4	-26.3	0	0	0	110.7
2106	S	35.7	Very low	37.2	Very low	101 Å²	101	122.5 Å²	122.5	71%	0.706	73%	0.731	S	S	*	*			cis	152.5	122.1	26.5	-84.6	0	0	0	0	111.3	T2104 F2108	T2104-S2106 VanDerWaalsContact C-N 3.33Å; T2104-S2106 PolarHBondContact O-N 3.29Å; S2106-F2108 VanDerWaalsContact C-N 3.26Å; S2106-F2108 PolarHBondContact O-N 2.81Å
2107	S	35.7	Very low	37.1	Very low	112 Å²	112	124.7 Å²	124.7	78%	0.783	74%	0.735	S	S	*	*			trans	131.2	124	138	-63.5	0	0	0	0	113.7
2108	F	36.4	Very low	36.9	Very low	197 Å²	197	123.5 Å²	123.5	86%	0.864	73%	0.732	S	S	*	*			trans	118.6	134.7	142.5	-130.2	-91.3	0	0	0	113.3	S2106 G2110	S2106-F2108 VanDerWaalsContact C-N 3.26Å; S2106-F2108 PolarHBondContact O-N 2.81Å; F2108-G2110 PolarHBondContact O-N 3.43Å
2109	S	37.3	Very low	36.8	Very low	105.4 Å²	105.4	122.1 Å²	122.1	74%	0.737	73%	0.73	S	S	*	*			trans	162.6	139.4	153.7	-167.4	0	0	0	0	111.3	D2111	S2109-D2111 PolarHBondContact OG-OD2 2.88Å
2110	G	37.9	Very low	36.6	Very low	61.4 Å²	61.4	122.5 Å²	122.5	63%	0.633	73%	0.73	S	S	*	*			trans	115.8	106.9	152.6	0	0	0	0	0	111.7	F2108	F2108-G2110 PolarHBondContact O-N 3.43Å
2111	D	37.5	Very low	36.4	Very low	139 Å²	139	125.1 Å²	125.1	74%	0.743	73%	0.73	S	S	*	*				93.1	139.6	116.9	-96	-12.4	0	0	0	112.9	S2109	S2109-D2111 PolarHBondContact OG-OD2 2.88Å
2112	Q	35.5	Very low	36.1	Very low	145.4 Å²	145.4	124.8 Å²	124.8	68%	0.679	73%	0.729	S	S	*	*			cis	144.7	130.3	-1	-100.1	-154.8	74	0	0	109.6
2113	Q	36	Very low	36.1	Very low	163.8 Å²	163.8	128.1 Å²	128.1	77%	0.765	74%	0.735	S	S	*	*			trans	71.8	128.8	144.3	-62.2	-179.9	22.9	0	0	116.2
2114	S	34.6	Very low	36.1	Very low	88.8 Å²	88.8	127 Å²	127	62%	0.621	74%	0.737	S	S	*	*				153.5	141.6	63.8	63.8	0	0	0	0	112.8	Q1726	Q1726-S2114 WeakPolarHBondContact O-CA 3.49Å
2115	N	34.8	Very low	36.3	Very low	143 Å²	143	131.5 Å²	131.5	77%	0.765	74%	0.742	S	S	*	*			trans	83.5	130.2	131.4	-64.3	-23.3	0	0	0	116.2	Q1724 H1725 Q1726	Q1724-N2115 PolarHBondContact N-ND2 3.33Å; H1725-N2115 VanDerWaalsContact C-CB 3.42Å; H1725-N2115 VanDerWaalsContact C-CG 3.44Å; H1725-N2115 VanDerWaalsContact CA-CG 3.5Å; H1725-N2115 WeakPolarHBondContact CA-OD1 3.5Å; H1725-N2115 PolarHBondContact N-ND2 3.21Å; H1725-N2115 PolarHBondContact N-OD1 2.87Å; H1725-N2115 WeakPolarHBondContact O-CB 3.32Å; Q1726-N2115 VanDerWaalsContact C-C 3.43Å; Q1726-N2115 PolarHBondContact N-OD1 2.78Å; Q1726-N2115 VanDerWaalsContact O-CA 3.25Å; Q1726-N2115 WeakPolarHBondContact O-CA 3.41Å
2116	G	33.7	Very low	36.5	Very low	61.4 Å²	61.4	130.4 Å²	130.4	63%	0.633	74%	0.736	S	S	*	*			trans	154.8	0	155.2	0	0	0	0	0	113.8	H1725 Q1726 S1727	H1725-G2116 CarbonylContact O-C 3.34Å; H1725-G2116 PolarHBondContact O-N 2.79Å; Q1726-G2116 VanDerWaalsContact C-N 3.33Å; Q1726-G2116 VanDerWaalsContact CB-O 3.3Å; Q1726-G2116 WeakPolarHBondContact CB-O 3.27Å; Q1726-G2116 PolarHBondContact NE2-O 3.35Å; S1727-G2116 CarbonylContact O-C 3.3Å; S1727-G2116 WeakPolarHBondContact O-CA 3.41Å
2117	I	35	Very low	37.2	Very low	155 Å²	155	132.9 Å²	132.9	80%	0.795	74%	0.736	S	S	*	*				0	0	0	-73.2	166.5	0	0	0	113.7	Q1726 S1727	Q1726-I2117 HydrophobicContact CB-CG1 4.41Å; Q1726-I2117 HydrophobicContact CG-CG1 4.49Å; S1727-I2117 CarbonylContact O-C 3.53Å; S1727-I2117 VanDerWaalsContact O-C 3.27Å; S1727-I2117 VanDerWaalsContact O-CA 3.29Å; S1727-I2117 WeakPolarHBondContact O-CA 3.45Å; S1727-I2117 PolarHBondContact O-N 2.88Å
2118	S	33.9	Very low	37.9	Very low	102.2 Å²	102.2	130.5 Å²	130.5	72%	0.715	72%	0.719	S	S	*	*				0	0	0	48.6	0	0	0	0	116	S1727 G1728	S1727-S2118 CarbonylContact C-O 3.17Å; S1727-S2118 PolarHBondContact OG-N 2.83Å; S1727-S2118 VanDerWaalsContact OG-N 3.17Å; S1727-S2118 PolarHBondContact OG-O 3.18Å; G1728-S2118 PolarHBondContact N-O 2.76Å
2119	A	33.7	Very low	38.5	Very low	79.8 Å²	79.8	125.2 Å²	125.2	66%	0.66	70%	0.7	S	S	*	*				0	0	0	0	0	0	0	0	114.6	G1728 E1729	G1728-A2119 WeakPolarHBondContact O-CB 3.17Å; E1729-A2119 HydrophobicContact CB-CB 3.75Å; E1729-A2119 VanDerWaalsContact CD-CB 3.47Å; E1729-A2119 HydrophobicContact CG-CB 3.83Å; E1729-A2119 WeakPolarHBondContact OE2-CA 3.46Å; E1729-A2119 WeakPolarHBondContact OE2-CB 3.24Å
2120	T	38.6	Very low	39	Very low	127.2 Å²	127.2	131.2 Å²	131.2	78%	0.78	71%	0.707	S	S	*	*				0	149.7	0	38.2	0	0	0	0	113.7	E1729 L1730	E1729-T2120 WeakPolarHBondContact OE1-CA 3.26Å; E1729-T2120 PolarHBondContact OE1-N 3.32Å; E1729-T2120 PolarHBondContact OE1-OG1 3.16Å; E1729-T2120 PolarHBondContact OE2-N 3.39Å; E1729-T2120 PolarHBondContact OE2-OG1 3.48Å; L1730-T2120 WeakPolarHBondContact CD1-OG1 3.4Å
2121	K	36.1	Very low	39.7	Very low	183.8 Å²	183.8	130.9 Å²	130.9	80%	0.799	70%	0.695	S	S	*	*			trans	113.9	117.9	151.8	-92.1	178.5	-179.1	175.8	0	113.3	E1729 L1730 Q2123	E1729-K2121 PolarHBondContact OE1-N 2.8Å; L1730-K2121 WeakPolarHBondContact CA-O 3.38Å; L1730-K2121 HydrophobicContact CB-CB 3.59Å; L1730-K2121 HydrophobicContact CB-CG 4.28Å; L1730-K2121 WeakPolarHBondContact CB-O 3.29Å; L1730-K2121 HydrophobicContact CD1-CB 4.03Å; L1730-K2121 HydrophobicContact CD1-CD 3.59Å; L1730-K2121 HydrophobicContact CD1-CG 3.69Å; L1730-K2121 HydrophobicContact CG-CB 4.06Å; L1730-K2121 HydrophobicContact CG-CD 4.03Å; L1730-K2121 HydrophobicContact CG-CG 4.24Å; K2121-Q2123 PolarHBondContact O-N 2.91Å
2122	L	35.4	Very low	40.1	Very low	138.8 Å²	138.8	130.5 Å²	130.5	73%	0.727	69%	0.692	S	S	*	*			trans	-113	110.3	141.7	-95.2	157.7	0	0	0	111.4	L1730 L1731 T2124 I2143	L1730-L2122 HydrophobicContact CB-CB 4.32Å; L1731-L2122 HydrophobicContact CB-CB 3.98Å; L1731-L2122 HydrophobicContact CB-CD1 4.1Å; L1731-L2122 HydrophobicContact CD1-CB 3.72Å; L1731-L2122 HydrophobicContact CD1-CD1 4.43Å; L1731-L2122 HydrophobicContact CD1-CG 4.48Å; L1731-L2122 WeakPolarHBondContact CD1-O 3.4Å; L1731-L2122 HydrophobicContact CG-CB 3.61Å; L2122-T2124 PolarHBondContact O-N 3.24Å; L2122-I2143 HydrophobicContact CD1-CD1 3.93Å
2123	Q	39.2	Very low	40.6	Very low	178 Å²	178	132 Å²	132	83%	0.832	70%	0.696	S	S	*	*			trans	-2.8	103.5	131.9	-135.1	175	8	0	0	112.9	K2121 R2125	K2121-Q2123 PolarHBondContact O-N 2.91Å; Q2123-R2125 PolarHBondContact O-N 2.61Å; Q2123-R2125 VanDerWaalsContact O-N 3.14Å
2124	T	38.5	Very low	41.1	Very low	136.6 Å²	136.6	126.9 Å²	126.9	84%	0.838	68%	0.679	S	S	*	*			trans	-57.1	109.9	158.1	-15.1	0	0	0	0	111.6	L2122 D2126	L2122-T2124 PolarHBondContact O-N 3.24Å; T2124-D2126 VanDerWaalsContact C-N 3.34Å; T2124-D2126 PolarHBondContact O-N 3.43Å; T2124-D2126 VanDerWaalsContact O-N 3.13Å
2125	R	41.7	Very low	41.5	Very low	205.4 Å²	205.4	126 Å²	126	78%	0.775	67%	0.672	S	S	*	*			trans	-89.2	0	168.1	-163.3	168.9	-179.1	131	3	110.9	Q2123 H2127 D2129	Q2123-R2125 PolarHBondContact O-N 2.61Å; Q2123-R2125 VanDerWaalsContact O-N 3.14Å; R2125-H2127 PolarHBondContact O-N 3.19Å; R2125-D2129 IonicContact CZ-OD2 2.66Å; R2125-D2129 VanDerWaalsContact CZ-OD2 3.26Å; R2125-D2129 IonicContact NE-OD2 3.3Å; R2125-D2129 PolarHBondContact NE-OD2 3.04Å; R2125-D2129 IonicContact NH2-OD2 2.89Å; R2125-D2129 PolarHBondContact NH2-OD2 3.38Å
2126	D	40.5	Very low	42.1	Very low	114.2 Å²	114.2	125.6 Å²	125.6	61%	0.611	67%	0.67	S	S	*	*				0	0	0	-114.8	-24	0	0	0	112.3	T2124 S2128 D2129 K2138	T2124-D2126 VanDerWaalsContact C-N 3.34Å; T2124-D2126 PolarHBondContact O-N 3.43Å; T2124-D2126 VanDerWaalsContact O-N 3.13Å; D2126-S2128 VanDerWaalsContact C-N 3.29Å; D2126-S2128 WeakPolarHBondContact CB-OG 3.43Å; D2126-S2128 VanDerWaalsContact CG-OG 3.23Å; D2126-S2128 PolarHBondContact O-N 3.09Å; D2126-S2128 WeakPolarHBondContact OD2-CB 3Å; D2126-S2128 PolarHBondContact OD2-OG 3Å; D2126-D2129 WeakPolarHBondContact O-CB 3.16Å; D2126-D2129 PolarHBondContact O-N 2.69Å; D2126-K2138 IonicContact OD2-NZ 2.61Å; D2126-K2138 PolarHBondContact OD2-NZ 3.27Å
2127	H	50	Low	43.1	Very low	153.4 Å²	153.4	126.4 Å²	126.4	71%	0.71	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn		0	0	0	-92.5	-81.4	0	0	0	111.9	P2102 T2104 R2125 D2129	P2102-H2127 PolarHBondContact O-CE1 2.89Å; P2102-H2127 PolarHBondContact O-ND1 3.14Å; T2104-H2127 PolarHBondContact O-CD2 3.13Å; T2104-H2127 PolarHBondContact OG1-CD2 2.92Å; T2104-H2127 VanDerWaalsContact OG1-CD2 3.23Å; T2104-H2127 PolarHBondContact OG1-NE2 3.17Å; T2104-H2127 VanDerWaalsContact OG1-NE2 3.09Å; R2125-H2127 PolarHBondContact O-N 3.19Å; H2127-D2129 VanDerWaalsContact C-N 3.29Å; H2127-D2129 PolarHBondContact O-N 2.88Å
2128	S	48.8	Very low	43.7	Very low	60.4 Å²	60.4	126.5 Å²	126.5	42%	0.422	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn		0	5.8	0	56	0	0	0	0	115.3	D2126 W2130 S2131 K2138	D2126-S2128 VanDerWaalsContact C-N 3.29Å; D2126-S2128 WeakPolarHBondContact CB-OG 3.43Å; D2126-S2128 VanDerWaalsContact CG-OG 3.23Å; D2126-S2128 PolarHBondContact O-N 3.09Å; D2126-S2128 WeakPolarHBondContact OD2-CB 3Å; D2126-S2128 PolarHBondContact OD2-OG 3Å; S2128-W2130 VanDerWaalsContact C-N 3.3Å; S2128-W2130 PolarHBondContact O-N 2.72Å; S2128-W2130 VanDerWaalsContact O-N 3.11Å; S2128-S2131 PolarHBondContact O-N 3.34Å; S2128-K2138 PolarHBondContact OG-NZ 3.02Å
2129	D	50.7	Low	44.2	Very low	86.8 Å²	86.8	129.6 Å²	129.6	46%	0.464	67%	0.668	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.5	0	-174.4	-86.5	-2.3	0	0	0	113.7	R2125 D2126 H2127 S2131 S2135 K2138	R2125-D2129 IonicContact CZ-OD2 2.66Å; R2125-D2129 VanDerWaalsContact CZ-OD2 3.26Å; R2125-D2129 IonicContact NE-OD2 3.3Å; R2125-D2129 PolarHBondContact NE-OD2 3.04Å; R2125-D2129 IonicContact NH2-OD2 2.89Å; R2125-D2129 PolarHBondContact NH2-OD2 3.38Å; D2126-D2129 WeakPolarHBondContact O-CB 3.16Å; D2126-D2129 PolarHBondContact O-N 2.69Å; H2127-D2129 VanDerWaalsContact C-N 3.29Å; H2127-D2129 PolarHBondContact O-N 2.88Å; D2129-S2131 VanDerWaalsContact C-N 3.35Å; D2129-S2131 PolarHBondContact O-N 3.48Å; D2129-S2131 PolarHBondContact OD1-OG 3.47Å; D2129-S2135 PolarHBondContact O-OG 2.74Å; D2129-K2138 IonicContact OD1-NZ 3.23Å; D2129-K2138 PolarHBondContact OD1-NZ 3.42Å
2130	W	47.1	Very low	44.4	Very low	230 Å²	230	130.6 Å²	130.6	87%	0.871	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn		0	7.6	0	-83.7	82.6	0	0	0	112.5	L2101 S2128 I2132	L2101-W2130 HydrophobicContact CD1-CZ2 4.48Å; S2128-W2130 VanDerWaalsContact C-N 3.3Å; S2128-W2130 PolarHBondContact O-N 2.72Å; S2128-W2130 VanDerWaalsContact O-N 3.11Å; W2130-I2132 HydrophobicContact CE3-CD1 4.11Å; W2130-I2132 HydrophobicContact CZ3-CD1 4.12Å; W2130-I2132 PolarHBondContact O-N 3.07Å
2131	S	52	Low	44.5	Very low	56.2 Å²	56.2	130.1 Å²	130.1	39%	0.393	67%	0.667	S	S	.	*			trans	-97.9	95.4	178.7	-127.5	0	0	0	0	110.5	S2128 D2129 F2133 S2134 S2135	S2128-S2131 PolarHBondContact O-N 3.34Å; D2129-S2131 VanDerWaalsContact C-N 3.35Å; D2129-S2131 PolarHBondContact O-N 3.48Å; D2129-S2131 PolarHBondContact OD1-OG 3.47Å; S2131-F2133 VanDerWaalsContact C-N 3.26Å; S2131-F2133 PolarHBondContact O-N 3.21Å; S2131-F2133 VanDerWaalsContact O-N 3.14Å; S2131-S2134 VanDerWaalsContact C-N 3.34Å; S2131-S2134 VanDerWaalsContact CB-CB 3.49Å; S2131-S2134 VanDerWaalsContact CB-OG 3.31Å; S2131-S2134 WeakPolarHBondContact CB-OG 3.17Å; S2131-S2134 CarbonylContact O-C 3.58Å; S2131-S2134 WeakPolarHBondContact O-CA 3.28Å; S2131-S2134 WeakPolarHBondContact O-CB 3.35Å; S2131-S2134 PolarHBondContact O-N 2.9Å; S2131-S2134 WeakPolarHBondContact OG-CB 3.22Å; S2131-S2134 PolarHBondContact OG-N 3.38Å; S2131-S2134 PolarHBondContact OG-OG 2.93Å; S2131-S2135 PolarHBondContact O-N 3.22Å; S2131-S2135 VanDerWaalsContact O-N 3.15Å; S2131-S2135 PolarHBondContact O-OG 3.32Å
2132	I	46	Very low	44.6	Very low	130.2 Å²	130.2	127.4 Å²	127.4	67%	0.668	67%	0.668	S	S	*	*	H	α-helix	trans	-50	0	-180	-48.6	175.3	0	0	0	111.4	W2130 S2134 S2135 L2136	W2130-I2132 HydrophobicContact CE3-CD1 4.11Å; W2130-I2132 HydrophobicContact CZ3-CD1 4.12Å; W2130-I2132 PolarHBondContact O-N 3.07Å; I2132-S2134 VanDerWaalsContact C-N 3.29Å; I2132-S2134 PolarHBondContact O-N 2.83Å; I2132-S2135 PolarHBondContact O-N 2.89Å; I2132-S2135 VanDerWaalsContact O-N 3.15Å; I2132-L2136 HydrophobicContact CG2-CD1 4.31Å; I2132-L2136 WeakPolarHBondContact O-CD1 3.23Å; I2132-L2136 PolarHBondContact O-N 2.76Å; I2132-L2136 VanDerWaalsContact O-N 3.08Å
2133	F	46.1	Very low	44.7	Very low	176.4 Å²	176.4	127.6 Å²	127.6	77%	0.774	67%	0.668	S	S	*	*	H	α-helix		0	0	0	-65.5	-75.1	0	0	0	113.2	S2131 S2135 L2136 A2137	S2131-F2133 VanDerWaalsContact C-N 3.26Å; S2131-F2133 PolarHBondContact O-N 3.21Å; S2131-F2133 VanDerWaalsContact O-N 3.14Å; F2133-S2135 VanDerWaalsContact C-N 3.29Å; F2133-S2135 PolarHBondContact O-N 2.96Å; F2133-L2136 PolarHBondContact O-N 3.19Å; F2133-L2136 VanDerWaalsContact O-N 3.13Å; F2133-A2137 VanDerWaalsContact O-CB 3.22Å; F2133-A2137 WeakPolarHBondContact O-CB 3.19Å; F2133-A2137 PolarHBondContact O-N 3Å; F2133-A2137 VanDerWaalsContact O-N 3.11Å
2134	S	46.9	Very low	44.7	Very low	57.4 Å²	57.4	126.9 Å²	126.9	40%	0.401	66%	0.663	S	S	.	*	H	α-helix		0	-10.8	0	-64.2	0	0	0	0	112	S2131 I2132 L2136 A2137 K2138	S2131-S2134 VanDerWaalsContact C-N 3.34Å; S2131-S2134 VanDerWaalsContact CB-CB 3.49Å; S2131-S2134 VanDerWaalsContact CB-OG 3.31Å; S2131-S2134 WeakPolarHBondContact CB-OG 3.17Å; S2131-S2134 CarbonylContact O-C 3.58Å; S2131-S2134 WeakPolarHBondContact O-CA 3.28Å; S2131-S2134 WeakPolarHBondContact O-CB 3.35Å; S2131-S2134 PolarHBondContact O-N 2.9Å; S2131-S2134 WeakPolarHBondContact OG-CB 3.22Å; S2131-S2134 PolarHBondContact OG-N 3.38Å; S2131-S2134 PolarHBondContact OG-OG 2.93Å; I2132-S2134 VanDerWaalsContact C-N 3.29Å; I2132-S2134 PolarHBondContact O-N 2.83Å; S2134-L2136 VanDerWaalsContact C-N 3.32Å; S2134-A2137 PolarHBondContact O-N 3.41Å; S2134-K2138 WeakPolarHBondContact O-CB 3.28Å; S2134-K2138 WeakPolarHBondContact O-CD 3.44Å; S2134-K2138 VanDerWaalsContact O-CG 3.31Å; S2134-K2138 WeakPolarHBondContact O-CG 3.05Å; S2134-K2138 PolarHBondContact O-N 3.38Å
2135	S	42.8	Very low	44.8	Very low	69.6 Å²	69.6	127.2 Å²	127.2	49%	0.487	66%	0.659	S	S	.	*	H	α-helix	trans	-90.1	-14.8	174.8	-62.5	0	0	0	0	111.6	D2129 S2131 I2132 F2133 A2137 K2138 Q2139	D2129-S2135 PolarHBondContact O-OG 2.74Å; S2131-S2135 PolarHBondContact O-N 3.22Å; S2131-S2135 VanDerWaalsContact O-N 3.15Å; S2131-S2135 PolarHBondContact O-OG 3.32Å; I2132-S2135 PolarHBondContact O-N 2.89Å; I2132-S2135 VanDerWaalsContact O-N 3.15Å; F2133-S2135 VanDerWaalsContact C-N 3.29Å; F2133-S2135 PolarHBondContact O-N 2.96Å; S2135-A2137 PolarHBondContact O-N 2.92Å; S2135-K2138 PolarHBondContact O-N 3.05Å; S2135-Q2139 PolarHBondContact O-N 2.94Å
2136	L	48.1	Very low	44.6	Very low	134.8 Å²	134.8	122.9 Å²	122.9	71%	0.706	65%	0.652	S	S	*	*	H	α-helix	trans	-91.9	-17.2	174.3	-99.5	127.1	0	0	0	112	I2132 F2133 S2134 K2138 Q2139	I2132-L2136 HydrophobicContact CG2-CD1 4.31Å; I2132-L2136 WeakPolarHBondContact O-CD1 3.23Å; I2132-L2136 PolarHBondContact O-N 2.76Å; I2132-L2136 VanDerWaalsContact O-N 3.08Å; F2133-L2136 PolarHBondContact O-N 3.19Å; F2133-L2136 VanDerWaalsContact O-N 3.13Å; S2134-L2136 VanDerWaalsContact C-N 3.32Å; L2136-K2138 PolarHBondContact O-N 2.87Å; L2136-K2138 VanDerWaalsContact O-N 3.16Å; L2136-Q2139 PolarHBondContact O-N 2.9Å
2137	A	54.2	Low	44.3	Very low	78 Å²	78	124 Å²	124	65%	0.645	66%	0.657	S	S	*	*	H	α-helix	trans	-90.5	0	177.6	0	0	0	0	0	113.3	F2133 S2134 S2135	F2133-A2137 VanDerWaalsContact O-CB 3.22Å; F2133-A2137 WeakPolarHBondContact O-CB 3.19Å; F2133-A2137 PolarHBondContact O-N 3Å; F2133-A2137 VanDerWaalsContact O-N 3.11Å; S2134-A2137 PolarHBondContact O-N 3.41Å; S2135-A2137 PolarHBondContact O-N 2.92Å
2138	K	47.8	Very low	43.8	Very low	156.6 Å²	156.6	123.4 Å²	123.4	68%	0.681	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn		0	0	0	-68.6	179	-179.1	177.5	0	114.2	D2126 S2128 D2129 S2134 S2135 L2136 S2140	D2126-K2138 IonicContact OD2-NZ 2.61Å; D2126-K2138 PolarHBondContact OD2-NZ 3.27Å; S2128-K2138 PolarHBondContact OG-NZ 3.02Å; D2129-K2138 IonicContact OD1-NZ 3.23Å; D2129-K2138 PolarHBondContact OD1-NZ 3.42Å; S2134-K2138 WeakPolarHBondContact O-CB 3.28Å; S2134-K2138 WeakPolarHBondContact O-CD 3.44Å; S2134-K2138 VanDerWaalsContact O-CG 3.31Å; S2134-K2138 WeakPolarHBondContact O-CG 3.05Å; S2134-K2138 PolarHBondContact O-N 3.38Å; S2135-K2138 PolarHBondContact O-N 3.05Å; L2136-K2138 PolarHBondContact O-N 2.87Å; L2136-K2138 VanDerWaalsContact O-N 3.16Å; K2138-S2140 VanDerWaalsContact C-N 3.3Å; K2138-S2140 PolarHBondContact O-N 2.91Å
2139	Q	43.6	Very low	43.1	Very low	168.8 Å²	168.8	128.1 Å²	128.1	79%	0.789	67%	0.673	S	S	*	*				0	0	0	-80.4	-173.1	-2.2	0	0	111.9	S2135 L2136 T2141	S2135-Q2139 PolarHBondContact O-N 2.94Å; L2136-Q2139 PolarHBondContact O-N 2.9Å; Q2139-T2141 PolarHBondContact O-N 3.12Å
2140	S	37.9	Very low	42.5	Very low	99.2 Å²	99.2	131.7 Å²	131.7	69%	0.694	69%	0.687	S	S	*	*	S	Bend		0	109.2	0	23.1	0	0	0	0	111.4	K2138	K2138-S2140 VanDerWaalsContact C-N 3.3Å; K2138-S2140 PolarHBondContact O-N 2.91Å
2141	T	41.1	Very low	41.9	Very low	117.4 Å²	117.4	126.7 Å²	126.7	72%	0.72	68%	0.677	S	S	*	*			trans	-55.8	0	169.9	54.9	0	0	0	0	113.5	Q2139 I2143	Q2139-T2141 PolarHBondContact O-N 3.12Å; T2141-I2143 PolarHBondContact O-N 2.88Å; T2141-I2143 VanDerWaalsContact O-N 3.1Å
2142	P	37.3	Very low	41.2	Very low	126.2 Å²	126.2	131.1 Å²	131.1	82%	0.819	70%	0.696	S	S	*	*				0	0	0	29.1	-23.3	0	0	0	110.1	K2144	P2142-K2144 PolarHBondContact O-N 3.01Å
2143	I	39.1	Very low	40.6	Very low	143.4 Å²	143.4	129.7 Å²	129.7	74%	0.735	70%	0.698	S	S	*	*				0	114.1	0	-64.4	175	0	0	0	108.6	L2122 T2141 D2145	L2122-I2143 HydrophobicContact CD1-CD1 3.93Å; T2141-I2143 PolarHBondContact O-N 2.88Å; T2141-I2143 VanDerWaalsContact O-N 3.1Å; I2143-D2145 HydrophobicContact CG2-CB 4.36Å; I2143-D2145 WeakPolarHBondContact CG2-OD2 3.28Å; I2143-D2145 PolarHBondContact O-N 3.09Å
2144	K	38.8	Very low	40	Very low	163.8 Å²	163.8	125.9 Å²	125.9	71%	0.712	69%	0.692	S	S	*	*			trans	-92.3	0	163.6	-160.8	178.3	-174.4	-109.9	0	110.2	P2142 D2146	P2142-K2144 PolarHBondContact O-N 3.01Å; K2144-D2146 VanDerWaalsContact C-N 3.3Å; K2144-D2146 IonicContact NZ-OD1 2.84Å; K2144-D2146 PolarHBondContact NZ-OD1 3.03Å; K2144-D2146 IonicContact NZ-OD2 3.07Å; K2144-D2146 PolarHBondContact NZ-OD2 3.39Å; K2144-D2146 PolarHBondContact O-N 3.33Å
2145	D	39.4	Very low	39.3	Very low	142.6 Å²	142.6	129.5 Å²	129.5	76%	0.763	71%	0.712	S	S	*	*				0	101.7	0	-73.6	-34.4	0	0	0	111.1	I2143 N2147	I2143-D2145 HydrophobicContact CG2-CB 4.36Å; I2143-D2145 WeakPolarHBondContact CG2-OD2 3.28Å; I2143-D2145 PolarHBondContact O-N 3.09Å; D2145-N2147 VanDerWaalsContact C-N 3.27Å; D2145-N2147 PolarHBondContact O-N 2.9Å
2146	D	37.8	Very low	39	Very low	115.8 Å²	115.8	131.8 Å²	131.8	62%	0.619	73%	0.728	S	S	*	*			trans	-87.1	0	154.1	-82.8	-43.6	0	0	0	111.9	K2144	K2144-D2146 VanDerWaalsContact C-N 3.3Å; K2144-D2146 IonicContact NZ-OD1 2.84Å; K2144-D2146 PolarHBondContact NZ-OD1 3.03Å; K2144-D2146 IonicContact NZ-OD2 3.07Å; K2144-D2146 PolarHBondContact NZ-OD2 3.39Å; K2144-D2146 PolarHBondContact O-N 3.33Å
2147	N	34.1	Very low	38.3	Very low	136.8 Å²	136.8	128.7 Å²	128.7	73%	0.732	73%	0.729	S	S	*	*				0	129.9	0	-84.9	-58.3	0	0	0	116	D2145	D2145-N2147 VanDerWaalsContact C-N 3.27Å; D2145-N2147 PolarHBondContact O-N 2.9Å
2148	I	39.1	Very low	37.6	Very low	141.4 Å²	141.4	131.1 Å²	131.1	73%	0.725	74%	0.738	S	S	*	*				140.3	0	109.1	-71.8	164.1	0	0	0	112.7
2149	H	35.6	Very low	36.8	Very low	158.2 Å²	158.2	128.2 Å²	128.2	73%	0.732	74%	0.743	S	S	*	*				0	133.1	0	-68.8	-92.4	0	0	0	116.3
2150	Q	38.1	Very low	36.5	Very low	163.2 Å²	163.2	124.1 Å²	124.1	76%	0.763	74%	0.739	S	S	*	*			trans	116.7	0	144	-75.5	174.9	74.3	0	0	115.3
2151	N	33.2	Very low	36.4	Very low	124.8 Å²	124.8	128.3 Å²	128.3	67%	0.667	75%	0.747	S	S	*	*				0	130.5	0	-77.9	-27.5	0	0	0	114.2
2152	L	37.2	Very low	36.1	Very low	149.4 Å²	149.4	127.1 Å²	127.1	78%	0.782	74%	0.744	S	S	*	*				172.4	0	97.8	-64.9	169.7	0	0	0	113.4	E2172	L2152-E2172 WeakPolarHBondContact CB-OE1 3.25Å; L2152-E2172 VanDerWaalsContact CD1-OE1 3.25Å; L2152-E2172 WeakPolarHBondContact CD1-OE1 3.33Å
2153	S	33.3	Very low	36	Very low	100.6 Å²	100.6	127.2 Å²	127.2	70%	0.703	74%	0.737	S	S	*	*				0	0	0	-69.9	0	0	0	0	112.3
2154	S	34.5	Very low	36.1	Very low	95 Å²	95	126.3 Å²	126.3	66%	0.664	73%	0.734	S	S	*	*				0	0	0	20.4	0	0	0	0	114.7	E2172	S2154-E2172 VanDerWaalsContact CB-OE2 3.3Å; S2154-E2172 WeakPolarHBondContact CB-OE2 3.34Å; S2154-E2172 PolarHBondContact OG-OE2 3.42Å
2155	T	33.1	Very low	35.9	Very low	133 Å²	133	125 Å²	125	82%	0.816	73%	0.734	S	S	*	*				0	0	0	5.2	0	0	0	0	113.1
2156	S	36	Very low	36	Very low	118.2 Å²	118.2	123.7 Å²	123.7	83%	0.827	73%	0.733	S	S	*	*				0	0	0	62.8	0	0	0	0	110.7
2157	G	34	Very low	36	Very low	69.6 Å²	69.6	123.9 Å²	123.9	72%	0.718	74%	0.738	S	S	*	*				0	0	0	0	0	0	0	0	111.4
2158	P	38	Very low	35.9	Very low	128.4 Å²	128.4	124.2 Å²	124.2	83%	0.834	74%	0.74	S	S	*	*				0	0	0	39.8	-24.7	0	0	0	114.1
2159	A	31.9	Very low	35.6	Very low	96 Å²	96	122.4 Å²	122.4	79%	0.793	74%	0.74	S	S	*	*				0	0	0	0	0	0	0	0	114.5
2160	A	36.1	Very low	35.5	Very low	83.8 Å²	83.8	121.2 Å²	121.2	69%	0.693	74%	0.743	S	S	*	*				0	0	0	0	0	0	0	0	112
2161	E	37	Very low	35.4	Very low	186.2 Å²	186.2	117.4 Å²	117.4	87%	0.87	74%	0.74	S	S	*	*				0	0	0	-103.7	161.2	-162.2	0	0	113.8
2162	S	33.7	Very low	35.5	Very low	92.4 Å²	92.4	118.8 Å²	118.8	65%	0.646	74%	0.742	S	S	*	*				0	0	0	92.8	0	0	0	0	112.5
2163	N	36.8	Very low	35.4	Very low	127.6 Å²	127.6	117.2 Å²	117.2	68%	0.682	74%	0.739	S	S	*	*				0	0	0	-84.1	19.4	0	0	0	113.1
2164	D	40	Very low	35.5	Very low	124.8 Å²	124.8	117.1 Å²	117.1	67%	0.667	74%	0.738	S	S	*	*				0	0	0	-107.8	-37.5	0	0	0	110.1
2165	I	35.9	Very low	35.5	Very low	138.2 Å²	138.2	122.9 Å²	122.9	71%	0.709	75%	0.747	S	S	*	*				0	0	0	-62.3	169.4	0	0	0	110.8	V2167	I2165-V2167 HydrophobicContact CG2-CG2 4.4Å
2166	P	40.3	Very low	35.8	Very low	114 Å²	114	123.7 Å²	123.7	74%	0.74	75%	0.746	S	S	*	*				0	0	0	29	-13.6	0	0	0	112.4
2167	V	37.2	Very low	36	Very low	120.4 Å²	120.4	122.8 Å²	122.8	73%	0.73	74%	0.736	S	S	*	*				0	110.6	0	158.9	0	0	0	0	113.5	I2165	I2165-V2167 HydrophobicContact CG2-CG2 4.4Å
2168	N	32	Very low	36.3	Very low	144 Å²	144	127.5 Å²	127.5	77%	0.77	74%	0.74	S	S	*	*			trans	56.2	125.5	132.9	-67.9	-8	0	0	0	119.1
2169	S	33.7	Very low	36.7	Very low	103.6 Å²	103.6	128.6 Å²	128.6	72%	0.724	74%	0.738	S	S	*	*				147.6	134.1	108.5	-74.8	0	0	0	0	112.6
2170	T	33	Very low	37.4	Very low	131.6 Å²	131.6	131 Å²	131	81%	0.807	74%	0.738	S	S	*	*			trans	53.6	139.5	132.6	-0.8	0	0	0	0	115.6	E2172	T2170-E2172 HydrophobicContact CG2-CG 4.46Å
2171	A	35.7	Very low	38	Very low	84.6 Å²	84.6	134.4 Å²	134.4	70%	0.699	74%	0.744	S	S	*	*				74	129.8	126.6	0	0	0	0	0	115.7
2172	E	35.9	Very low	38.7	Very low	152.6 Å²	152.6	131.4 Å²	131.4	71%	0.713	74%	0.74	S	S	*	*				82.6	143.5	90.7	-72.2	-173.3	-175.5	0	0	112.1	L2152 S2154 T2170	L2152-E2172 WeakPolarHBondContact CB-OE1 3.25Å; L2152-E2172 VanDerWaalsContact CD1-OE1 3.25Å; L2152-E2172 WeakPolarHBondContact CD1-OE1 3.33Å; S2154-E2172 VanDerWaalsContact CB-OE2 3.3Å; S2154-E2172 WeakPolarHBondContact CB-OE2 3.34Å; S2154-E2172 PolarHBondContact OG-OE2 3.42Å; T2170-E2172 HydrophobicContact CG2-CG 4.46Å
2173	T	35.7	Very low	39	Very low	116.6 Å²	116.6	131.8 Å²	131.8	72%	0.715	74%	0.743	S	S	*	*				144	147.5	117	40.1	0	0	0	0	113.1
2174	S	34.9	Very low	39.3	Very low	98.2 Å²	98.2	133.2 Å²	133.2	69%	0.687	75%	0.749	S	S	*	*				130.4	136.1	106.2	60.4	0	0	0	0	114.8
2175	Y	35.4	Very low	39.8	Very low	217.4 Å²	217.4	135 Å²	135	85%	0.853	75%	0.754	S	S	*	*			trans	11.8	131.6	155.4	-56	-80.1	0	0	0	116.8
2176	D	38.5	Very low	40.1	Very low	149.2 Å²	149.2	135.4 Å²	135.4	80%	0.798	75%	0.751	S	S	*	*				174.3	0	100.6	-153.5	6.6	0	0	0	110
2177	T	39.2	Very low	40.9	Very low	100 Å²	100	138.1 Å²	138.1	61%	0.613	75%	0.753	S	S	*	*				0	120	0	-40.9	0	0	0	0	114.3
2178	E	41.9	Very low	41.3	Very low	168 Å²	168	137.6 Å²	137.6	79%	0.785	75%	0.746	S	S	*	*			trans	60.9	114.4	147.1	-46.9	-68.4	99.3	0	0	117.4
2179	D	45	Very low	41.9	Very low	151.4 Å²	151.4	137.1 Å²	137.1	81%	0.81	74%	0.743	S	S	*	*			trans	124.5	124.9	137.6	-131.6	-1.2	0	0	0	115.4
2180	D	46.4	Very low	42.2	Very low	145.6 Å²	145.6	138.2 Å²	138.2	78%	0.779	74%	0.741	S	S	*	*			trans	-163.4	0	145.7	-108.9	-30.8	0	0	0	113.4
2181	L	49.2	Very low	42.6	Very low	156.2 Å²	156.2	140.1 Å²	140.1	82%	0.818	74%	0.741	S	S	*	*				0	132.5	0	-72.4	177.6	0	0	0	111.4	S2183	L2181-S2183 PolarHBondContact O-N 2.94Å; L2181-S2183 PolarHBondContact O-OG 3.03Å
2182	P	53.1	Low	42.7	Very low	123.6 Å²	123.6	141.8 Å²	141.8	80%	0.803	74%	0.743	S	S	*	*			trans	-88.4	0	154.3	30.9	-27	0	0	0	111.5	L2184	P2182-L2184 PolarHBondContact O-N 3.04Å
2183	S	39.9	Very low	43	Very low	99.4 Å²	99.4	139.6 Å²	139.6	70%	0.695	74%	0.744	S	S	*	*				0	129.3	0	-32.5	0	0	0	0	111.5	L2181 E2185	L2181-S2183 PolarHBondContact O-N 2.94Å; L2181-S2183 PolarHBondContact O-OG 3.03Å; S2183-E2185 PolarHBondContact O-N 3.43Å
2184	L	41.8	Very low	43	Very low	157.2 Å²	157.2	141.5 Å²	141.5	82%	0.823	75%	0.748	S	S	*	*			trans	-122.8	102.4	136.4	-87	141.2	0	0	0	110.7	P2182	P2182-L2184 PolarHBondContact O-N 3.04Å
2185	E	50.8	Low	43.2	Very low	162.8 Å²	162.8	141.7 Å²	141.7	76%	0.761	75%	0.747	S	S	*	*				164.9	0	117.4	-168.9	168.2	-169	0	0	111.3	S2183	S2183-E2185 PolarHBondContact O-N 3.43Å
2186	K	42.8	Very low	43	Very low	147.8 Å²	147.8	140.6 Å²	140.6	64%	0.643	74%	0.743	S	S	*	*				0	0	0	-65.2	177.9	157.3	-85.6	0	115	D2188	K2186-D2188 HydrophobicContact CB-CB 4.2Å; K2186-D2188 WeakPolarHBondContact CD-OD2 3.36Å; K2186-D2188 WeakPolarHBondContact CG-OD2 3.39Å; K2186-D2188 IonicContact NZ-OD1 2.62Å; K2186-D2188 PolarHBondContact NZ-OD1 3.18Å; K2186-D2188 IonicContact NZ-OD2 3.43Å; K2186-D2188 PolarHBondContact NZ-OD2 3.12Å
2187	H	57.3	Low	42.8	Very low	170 Å²	170	140.8 Å²	140.8	79%	0.787	74%	0.739	S	S	*	*				0	0	0	-84.8	-62.7	0	0	0	108.3
2188	D	44.7	Very low	42.5	Very low	110 Å²	110	140.4 Å²	140.4	59%	0.588	74%	0.74	S	S	*	*				0	132.5	0	-70	-17.4	0	0	0	111.7	K2186	K2186-D2188 HydrophobicContact CB-CB 4.2Å; K2186-D2188 WeakPolarHBondContact CD-OD2 3.36Å; K2186-D2188 WeakPolarHBondContact CG-OD2 3.39Å; K2186-D2188 IonicContact NZ-OD1 2.62Å; K2186-D2188 PolarHBondContact NZ-OD1 3.18Å; K2186-D2188 IonicContact NZ-OD2 3.43Å; K2186-D2188 PolarHBondContact NZ-OD2 3.12Å
2189	N	44.9	Very low	42.1	Very low	132.4 Å²	132.4	137.2 Å²	137.2	71%	0.708	74%	0.736	S	S	*	*			trans	117.2	135	143.1	-95.5	27.2	0	0	0	113.3
2190	D	40.9	Very low	41.8	Very low	127 Å²	127	137.5 Å²	137.5	68%	0.679	74%	0.736	S	S	*	*				-170.7	137.6	115.1	-74.8	-37.8	0	0	0	111.3
2191	E	39.9	Very low	41.3	Very low	171.8 Å²	171.8	136.6 Å²	136.6	80%	0.803	73%	0.731	S	S	*	*			trans	117	128.6	137.1	-91	176.9	-179.5	0	0	112.8	S2193	E2191-S2193 PolarHBondContact O-N 2.97Å
2192	V	39.2	Very low	40.7	Very low	121 Å²	121	135.9 Å²	135.9	73%	0.733	73%	0.727	S	S	*	*				7.9	107.7	91.7	-177.2	0	0	0	0	110.8	I2194	V2192-I2194 HydrophobicContact CG1-CD1 4.2Å; V2192-I2194 HydrophobicContact CG1-CG1 4.31Å
2193	S	41	Very low	39.8	Very low	106.2 Å²	106.2	136.7 Å²	136.7	74%	0.743	72%	0.72	S	S	*	*				174.4	104	126.5	-66.7	0	0	0	0	113.1	E2191	E2191-S2193 PolarHBondContact O-N 2.97Å
2194	I	35.7	Very low	39.6	Very low	157 Å²	157	139.7 Å²	139.7	81%	0.805	72%	0.723	S	S	*	*			trans	-70	0	136.7	-47.9	167.6	0	0	0	109.6	V2192	V2192-I2194 HydrophobicContact CG1-CD1 4.2Å; V2192-I2194 HydrophobicContact CG1-CG1 4.31Å
2195	P	39.8	Very low	39.2	Very low	102.2 Å²	102.2	137 Å²	137	66%	0.664	72%	0.717	S	S	*	*				0	172.4	0	39.4	-22	0	0	0	114.1
2196	Y	32.1	Very low	38.4	Very low	193 Å²	193	136.5 Å²	136.5	76%	0.757	72%	0.719	S	S	*	*			trans	78.8	137.8	144.9	-96.4	-105.4	0	0	0	112.5
2197	E	34	Very low	37.8	Very low	154.6 Å²	154.6	133.9 Å²	133.9	72%	0.722	72%	0.72	S	S	*	*				164.7	138	114.8	-96.2	-165.3	165.7	0	0	111.8
2198	S	33.2	Very low	36.6	Very low	91.8 Å²	91.8	132.7 Å²	132.7	64%	0.642	72%	0.719	S	S	*	*			trans	142	113.9	133.4	-75.7	0	0	0	0	114.5	I2200	S2198-I2200 PolarHBondContact O-N 2.86Å
2199	S	32.8	Very low	36.1	Very low	99.6 Å²	99.6	133.4 Å²	133.4	70%	0.697	72%	0.722	S	S	*	*				44	122.2	122.6	-53.8	0	0	0	0	115.1	L2201	S2199-L2201 WeakPolarHBondContact O-CD1 3.36Å; S2199-L2201 PolarHBondContact O-N 3.37Å; S2199-L2201 VanDerWaalsContact O-N 3.16Å
2200	I	38.7	Very low	35.6	Very low	158 Å²	158	134.2 Å²	134.2	81%	0.81	73%	0.726	S	S	*	*				-140	0	105.6	-32.6	171.1	0	0	0	111.8	S2198	S2198-I2200 PolarHBondContact O-N 2.86Å
2201	L	35.3	Very low	35.2	Very low	127.8 Å²	127.8	138.9 Å²	138.9	67%	0.669	74%	0.735	S	S	*	*				0	0	0	-83.1	119.2	0	0	0	116.2	S2199	S2199-L2201 WeakPolarHBondContact O-CD1 3.36Å; S2199-L2201 PolarHBondContact O-N 3.37Å; S2199-L2201 VanDerWaalsContact O-N 3.16Å
2202	L	36.7	Very low	34.8	Very low	141.4 Å²	141.4	134 Å²	134	74%	0.74	72%	0.724	S	S	*	*				0	0	0	-75.9	173.4	0	0	0	114.2
2203	H	35.5	Very low	34.7	Very low	139.8 Å²	139.8	136.5 Å²	136.5	65%	0.647	73%	0.728	S	S	*	*				0	127.1	0	-82.2	-73.6	0	0	0	115.2
2204	E	35.4	Very low	34.3	Very low	162.6 Å²	162.6	136.6 Å²	136.6	76%	0.76	73%	0.728	S	S	*	*				-154.9	130.5	73.9	-59	170.4	159.7	0	0	111.6
2205	S	32.2	Very low	34.4	Very low	99.4 Å²	99.4	136.6 Å²	136.6	70%	0.695	73%	0.729	S	S	*	*			trans	-169.8	112.2	135	-51	0	0	0	0	110.9	S2207	S2205-S2207 VanDerWaalsContact C-N 3.28Å; S2205-S2207 PolarHBondContact O-N 2.79Å; S2205-S2207 VanDerWaalsContact O-N 3.07Å
2206	D	33.9	Very low	34.2	Very low	152.4 Å²	152.4	138.9 Å²	138.9	82%	0.815	74%	0.736	S	S	*	*				147.2	121	101.5	-88.1	-33.7	0	0	0	113.9	L2208	D2206-L2208 PolarHBondContact O-N 2.85Å
2207	S	31.4	Very low	34.6	Very low	93.8 Å²	93.8	132.8 Å²	132.8	66%	0.656	73%	0.731	S	S	*	*				71.7	98.2	124.2	177.3	0	0	0	0	115.9	S2205	S2205-S2207 VanDerWaalsContact C-N 3.28Å; S2205-S2207 PolarHBondContact O-N 2.79Å; S2205-S2207 VanDerWaalsContact O-N 3.07Å
2208	L	31.5	Very low	35.1	Very low	144.8 Å²	144.8	135.6 Å²	135.6	76%	0.758	74%	0.737	S	S	*	*				70.6	124.3	120.6	-73.2	164.3	0	0	0	116.3	D2206	D2206-L2208 PolarHBondContact O-N 2.85Å
2209	N	34.4	Very low	35.5	Very low	124.6 Å²	124.6	137 Å²	137	67%	0.666	74%	0.738	S	S	*	*				120.3	109.6	125.5	-80.4	-35.1	0	0	0	115.4	R2211	N2209-R2211 PolarHBondContact O-N 3.29Å
2210	N	34	Very low	36.2	Very low	148.6 Å²	148.6	138.8 Å²	138.8	80%	0.795	74%	0.739	S	S	*	*			trans	60.5	0	133.1	-74.8	-25.6	0	0	0	115.9
2211	R	32.5	Very low	36.8	Very low	225.8 Å²	225.8	137.2 Å²	137.2	85%	0.852	73%	0.732	S	S	*	*				0	126.8	0	-170.3	178	-178.7	152.5	1.8	112.2	N2209 E2213	N2209-R2211 PolarHBondContact O-N 3.29Å; R2211-E2213 IonicContact NE-OE1 3.39Å
2212	A	32.1	Very low	37.5	Very low	70.6 Å²	70.6	137.5 Å²	137.5	58%	0.583	73%	0.734	S	S	*	*				-178.2	149.6	105	0	0	0	0	0	112
2213	E	36.1	Very low	38.4	Very low	173 Å²	173	138.1 Å²	138.1	81%	0.808	74%	0.738	S	S	*	*			trans	64.7	110.7	136.9	-66.3	164.4	-155.8	0	0	115.3	R2211	R2211-E2213 IonicContact NE-OE1 3.39Å
2214	S	33.2	Very low	39.4	Very low	107.4 Å²	107.4	136.3 Å²	136.3	75%	0.751	74%	0.738	S	S	*	*				172	131.5	97	11	0	0	0	0	110.4	N2216	S2214-N2216 PolarHBondContact O-N 2.94Å
2215	L	38.2	Very low	40.3	Very low	156.6 Å²	156.6	133.7 Å²	133.7	82%	0.82	74%	0.736	S	S	*	*			trans	172.7	110.7	132.1	-145.7	91.7	0	0	0	112.2
2216	N	35.6	Very low	41.4	Very low	150.6 Å²	150.6	134.6 Å²	134.6	81%	0.805	74%	0.739	S	S	*	*			trans	98	122.7	135.3	-99.1	15.5	0	0	0	114.8	S2214	S2214-N2216 PolarHBondContact O-N 2.94Å
2217	G	40.2	Very low	41.9	Very low	64.8 Å²	64.8	133.1 Å²	133.1	67%	0.668	74%	0.735	S	S	*	*			trans	162.7	138.5	135.8	0	0	0	0	0	113.6
2218	Y	44	Very low	42.3	Very low	213.4 Å²	213.4	134.8 Å²	134.8	84%	0.837	74%	0.741	S	S	*	*			trans	65.2	0	169.4	-77.9	-93	0	0	0	113.1	D2220	Y2218-D2220 PolarHBondContact O-N 3.13Å
2219	N	42.3	Very low	42.7	Very low	122.6 Å²	122.6	132.6 Å²	132.6	66%	0.656	74%	0.738	S	S	*	*				0	126.9	0	-96.3	16.7	0	0	0	112.7	D2221	N2219-D2221 HydrophobicContact CB-CB 3.99Å; N2219-D2221 PolarHBondContact ND2-OD2 2.86Å; N2219-D2221 PolarHBondContact O-N 3.35Å; N2219-D2221 VanDerWaalsContact O-N 3.13Å
2220	D	47.1	Very low	42.9	Very low	137.2 Å²	137.2	133.3 Å²	133.3	73%	0.734	74%	0.742	S	S	*	*			trans	4	0	168	-73.3	-51.4	0	0	0	112.9	R1816 Y2218	R1816-D2220 WeakPolarHBondContact CD-O 3.46Å; R1816-D2220 PolarHBondContact NH1-O 2.87Å; Y2218-D2220 PolarHBondContact O-N 3.13Å
2221	D	50.3	Low	43.2	Very low	124 Å²	124	134.1 Å²	134.1	66%	0.663	74%	0.744	S	S	*	*				0	110.3	0	-116.7	-16.2	0	0	0	111.1	K1815 R1816 N2219 L2223	K1815-D2221 HydrophobicContact CB-CB 4.1Å; K1815-D2221 WeakPolarHBondContact CB-O 3.45Å; K1815-D2221 HydrophobicContact CD-CB 4.15Å; K1815-D2221 HydrophobicContact CG-CB 4.5Å; K1815-D2221 WeakPolarHBondContact CG-O 3.43Å; K1815-D2221 PolarHBondContact N-O 3.12Å; K1815-D2221 PolarHBondContact NZ-O 3.45Å; K1815-D2221 IonicContact NZ-OD2 3.95Å; K1815-D2221 PolarHBondContact NZ-OD2 2.83Å; R1816-D2221 HydrophobicContact CG-CB 3.99Å; R1816-D2221 VanDerWaalsContact CZ-CB 3.4Å; R1816-D2221 IonicContact CZ-OD1 2.72Å; R1816-D2221 IonicContact CZ-OD2 3.49Å; R1816-D2221 IonicContact NH1-OD1 3.64Å; R1816-D2221 PolarHBondContact NH1-OD1 3.14Å; R1816-D2221 IonicContact NH2-OD1 3.04Å; R1816-D2221 PolarHBondContact NH2-OD1 3.41Å; R1816-D2221 IonicContact NH2-OD2 3.36Å; R1816-D2221 PolarHBondContact NH2-OD2 2.71Å; N2219-D2221 HydrophobicContact CB-CB 3.99Å; N2219-D2221 PolarHBondContact ND2-OD2 2.86Å; N2219-D2221 PolarHBondContact O-N 3.35Å; N2219-D2221 VanDerWaalsContact O-N 3.13Å; D2221-L2223 HydrophobicContact CB-CG 4.42Å; D2221-L2223 PolarHBondContact O-N 2.96Å
2222	D	50.1	Low	43.4	Very low	133.6 Å²	133.6	129.5 Å²	129.5	71%	0.714	74%	0.737	S	S	*	*			trans	-102.2	102.1	-179.2	-111.6	-35	0	0	0	112.3	T1814 K1815	T1814-D2222 WeakPolarHBondContact CB-OD2 3.43Å; T1814-D2222 VanDerWaalsContact CG2-OD2 3.24Å; T1814-D2222 WeakPolarHBondContact CG2-OD2 3.29Å; T1814-D2222 PolarHBondContact OG1-OD2 3.19Å; K1815-D2222 VanDerWaalsContact NZ-N 3.15Å; K1815-D2222 PolarHBondContact NZ-O 2.93Å
2223	L	56	Low	43.7	Very low	154 Å²	154	133 Å²	133	81%	0.806	75%	0.746	S	S	*	*			trans	-121.4	131.6	159.8	-69.8	172	0	0	0	111.2	K1815 D2221	K1815-L2223 WeakPolarHBondContact CE-O 3.45Å; K1815-L2223 PolarHBondContact NZ-O 3.4Å; D2221-L2223 HydrophobicContact CB-CG 4.42Å; D2221-L2223 PolarHBondContact O-N 2.96Å
2224	P	56.2	Low	43.7	Very low	102.4 Å²	102.4	132.6 Å²	132.6	67%	0.665	74%	0.744	S	S	*	*			trans	-72	155.9	-173.2	32	-32.1	0	0	0	111.3	V2227	P2224-V2227 HydrophobicContact CB-CG2 3.1Å; P2224-V2227 HydrophobicContact CG-CG2 3.78Å
2225	P	54.5	Low	43.8	Very low	107.8 Å²	107.8	134.8 Å²	134.8	70%	0.7	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-69.2	147	167.7	28.8	-28.6	0	0	0	111.7	V2227	P2225-V2227 PolarHBondContact O-N 3.03Å
2226	P	55.6	Low	43.5	Very low	118.2 Å²	118.2	132.3 Å²	132.3	77%	0.768	74%	0.742	S	S	*	*			trans	-67.3	0	-174.2	27.2	-28.9	0	0	0	112.7	V2228	P2226-V2228 HydrophobicContact CG-CG2 4.44Å; P2226-V2228 PolarHBondContact O-N 3.17Å
2227	V	43.8	Very low	43.5	Very low	121.6 Å²	121.6	135.3 Å²	135.3	74%	0.737	74%	0.743	S	S	*	*				0	114.6	0	-168	0	0	0	0	108.8	P2224 P2225 S2229	P2224-V2227 HydrophobicContact CB-CG2 3.1Å; P2224-V2227 HydrophobicContact CG-CG2 3.78Å; P2225-V2227 PolarHBondContact O-N 3.03Å; V2227-S2229 WeakPolarHBondContact CG1-OG 3.27Å; V2227-S2229 PolarHBondContact O-N 3.29Å
2228	V	40.7	Very low	43.3	Very low	128.8 Å²	128.8	136.7 Å²	136.7	78%	0.781	74%	0.743	S	S	*	*			trans	-82.6	111	167.1	-149.9	0	0	0	0	109.6	P2226 D2230	P2226-V2228 HydrophobicContact CG-CG2 4.44Å; P2226-V2228 PolarHBondContact O-N 3.17Å; V2228-D2230 PolarHBondContact O-N 3.48Å; V2228-D2230 VanDerWaalsContact O-N 3.12Å
2229	S	40.1	Very low	42.9	Very low	98.4 Å²	98.4	133.4 Å²	133.4	69%	0.688	74%	0.74	S	S	*	*			trans	-77.5	0	172.6	-61.2	0	0	0	0	112	V2227	V2227-S2229 WeakPolarHBondContact CG1-OG 3.27Å; V2227-S2229 PolarHBondContact O-N 3.29Å
2230	D	38.9	Very low	42.6	Very low	140.6 Å²	140.6	135.2 Å²	135.2	75%	0.752	75%	0.746	S	S	*	*				0	122.9	0	-66.6	-26.6	0	0	0	115.9	V2228 M2442	V2228-D2230 PolarHBondContact O-N 3.48Å; V2228-D2230 VanDerWaalsContact O-N 3.12Å; D2230-M2442 HydrophobicContact CB-CE 4.46Å
2231	I	39.5	Very low	42.1	Very low	164.2 Å²	164.2	133.7 Å²	133.7	84%	0.842	74%	0.744	S	S	*	*			trans	-120.4	0	145.4	-93	145.1	0	0	0	109.7
2232	D	36.8	Very low	41.3	Very low	130.4 Å²	130.4	133.8 Å²	133.8	70%	0.697	75%	0.749	S	S	*	*				0	140.1	0	-84.7	-56.2	0	0	0	113.3
2233	N	38.6	Very low	40.7	Very low	144 Å²	144	133.7 Å²	133.7	77%	0.77	75%	0.753	S	S	*	*			trans	169.8	106.1	130.9	-95.8	-34.2	0	0	0	112.2	L2235	N2233-L2235 PolarHBondContact O-N 3.48Å
2234	Q	35.4	Very low	39.7	Very low	163.6 Å²	163.6	132.9 Å²	132.9	76%	0.764	75%	0.754	S	S	*	*			trans	62.2	113.1	133.3	-67.1	-129.3	40.6	0	0	114.7
2235	L	35.8	Very low	38.7	Very low	154.2 Å²	154.2	130.6 Å²	130.6	81%	0.807	75%	0.749	S	S	*	*			trans	114	108.3	145.5	-67.1	169.9	0	0	0	112.7	N2233 Y2237	N2233-L2235 PolarHBondContact O-N 3.48Å; L2235-Y2237 HydrophobicContact CD2-CE2 4.25Å; L2235-Y2237 PolarHBondContact O-N 2.78Å
2236	S	31.9	Very low	37.9	Very low	103.2 Å²	103.2	131.4 Å²	131.4	72%	0.722	75%	0.752	S	S	*	*				156.8	106	103.9	-151.3	0	0	0	0	111.4
2237	Y	36.5	Very low	37.1	Very low	214.6 Å²	214.6	131 Å²	131	84%	0.842	75%	0.747	S	S	*	*			trans	168.6	0	149.4	-80.4	-81.6	0	0	0	113	L2235	L2235-Y2237 HydrophobicContact CD2-CE2 4.25Å; L2235-Y2237 PolarHBondContact O-N 2.78Å
2238	S	35.2	Very low	37	Very low	93.2 Å²	93.2	129.2 Å²	129.2	65%	0.652	74%	0.738	S	S	*	*				0	149	0	6.4	0	0	0	0	112.6
2239	D	36.3	Very low	37	Very low	144.4 Å²	144.4	128.9 Å²	128.9	77%	0.772	73%	0.732	S	S	*	*			trans	88.7	0	142.5	-67.4	-27.7	0	0	0	117.3
2240	M	35.8	Very low	37.2	Very low	160.6 Å²	160.6	130.5 Å²	130.5	79%	0.791	73%	0.731	S	S	*	*				0	0	0	-81.1	-65.8	95	0	0	116.1	V2242	M2240-V2242 HydrophobicContact CE-CB 3.67Å; M2240-V2242 HydrophobicContact CE-CG2 2.93Å; M2240-V2242 HydrophobicContact SD-CB 3.76Å; M2240-V2242 HydrophobicContact SD-CG2 3.57Å; M2240-V2242 VanDerWaalsContact SD-CG2 3.57Å
2241	P	35.4	Very low	37.5	Very low	106.8 Å²	106.8	129.5 Å²	129.5	69%	0.694	73%	0.725	S	S	*	*				0	154.1	0	37.4	-23	0	0	0	115
2242	V	35.4	Very low	38.1	Very low	125.8 Å²	125.8	128.9 Å²	128.9	76%	0.762	72%	0.718	S	S	*	*			trans	47.3	122.4	142.5	-179	0	0	0	0	114.9	M2240 V2244	M2240-V2242 HydrophobicContact CE-CB 3.67Å; M2240-V2242 HydrophobicContact CE-CG2 2.93Å; M2240-V2242 HydrophobicContact SD-CB 3.76Å; M2240-V2242 HydrophobicContact SD-CG2 3.57Å; M2240-V2242 VanDerWaalsContact SD-CG2 3.57Å; V2242-V2244 HydrophobicContact CG1-CG2 4.44Å
2243	V	35.6	Very low	38.7	Very low	131 Å²	131	129.8 Å²	129.8	79%	0.794	72%	0.718	S	S	*	*			trans	-175.9	0	156.9	175.6	0	0	0	0	112	G2245	V2243-G2245 VanDerWaalsContact C-N 3.35Å; V2243-G2245 PolarHBondContact O-N 2.96Å
2244	V	35.7	Very low	39.2	Very low	136.2 Å²	136.2	126.9 Å²	126.9	83%	0.825	71%	0.706	S	S	*	*				0	0	0	-179.2	0	0	0	0	109	V2242 T2246	V2242-V2244 HydrophobicContact CG1-CG2 4.44Å; V2244-T2246 PolarHBondContact O-N 3.42Å
2245	G	35.1	Very low	39.8	Very low	55 Å²	55	125.2 Å²	125.2	57%	0.567	70%	0.7	S	S	*	*				0	95.7	0	0	0	0	0	0	112.2	S1803 I1804 V2243 V2247	S1803-G2245 VanDerWaalsContact CB-O 3.24Å; S1803-G2245 WeakPolarHBondContact CB-O 3.32Å; S1803-G2245 CarbonylContact O-C 3.58Å; S1803-G2245 WeakPolarHBondContact O-CA 3.39Å; S1803-G2245 PolarHBondContact OG-O 3.44Å; I1804-G2245 CarbonylContact O-C 3.31Å; I1804-G2245 VanDerWaalsContact O-CA 3.27Å; I1804-G2245 WeakPolarHBondContact O-CA 3.44Å; V2243-G2245 VanDerWaalsContact C-N 3.35Å; V2243-G2245 PolarHBondContact O-N 2.96Å; G2245-V2247 PolarHBondContact O-N 3.31Å
2246	T	38.5	Very low	40.1	Very low	123.8 Å²	123.8	126.6 Å²	126.6	76%	0.76	70%	0.696	S	S	*	*			trans	-85.8	0	170	48.1	0	0	0	0	111.3	I1804 H1805 V2244	I1804-T2246 CarbonylContact C-O 3.17Å; I1804-T2246 WeakPolarHBondContact CB-O 3.35Å; I1804-T2246 WeakPolarHBondContact CG1-O 3.42Å; I1804-T2246 PolarHBondContact O-N 2.96Å; I1804-T2246 VanDerWaalsContact O-O 3.09Å; I1804-T2246 PolarHBondContact O-OG1 3.11Å; H1805-T2246 WeakPolarHBondContact CB-O 3.26Å; H1805-T2246 PolarHBondContact N-O 2.6Å; H1805-T2246 PolarHBondContact N-OG1 2.74Å; V2244-T2246 PolarHBondContact O-N 3.42Å
2247	V	37.7	Very low	40.7	Very low	110.2 Å²	110.2	127.9 Å²	127.9	67%	0.668	70%	0.695	S	S	*	*				0	0	0	-179.7	0	0	0	0	110.3	H1805 G2245 D2249 I2734	H1805-V2247 WeakPolarHBondContact CB-O 3.31Å; H1805-V2247 PolarHBondContact CD2-O 2.88Å; G2245-V2247 PolarHBondContact O-N 3.31Å; V2247-D2249 PolarHBondContact O-N 3.47Å; V2247-I2734 HydrophobicContact CG1-CG2 3.3Å
2248	P	42.1	Very low	40.7	Very low	83.2 Å²	83.2	121.1 Å²	121.1	54%	0.54	69%	0.69	S	S	.	*				0	0	0	32.4	-22.5	0	0	0	113.4	I1804 H1805 I2250 I2734	I1804-P2248 WeakPolarHBondContact CD1-O 3.45Å; H1805-P2248 WeakPolarHBondContact CD2-CD 3.44Å; P2248-I2250 HydrophobicContact CB-CD1 4.4Å; P2248-I2250 HydrophobicContact CB-CG1 4.23Å; P2248-I2250 HydrophobicContact CG-CD1 4.21Å; P2248-I2250 HydrophobicContact CG-CG1 4.41Å; P2248-I2250 PolarHBondContact O-N 3.22Å; P2248-I2250 VanDerWaalsContact O-N 3.12Å; P2248-I2734 WeakPolarHBondContact O-CD1 2.64Å; P2248-I2734 WeakPolarHBondContact O-CG1 2.64Å
2249	D	41.5	Very low	40.9	Very low	122.8 Å²	122.8	123.9 Å²	123.9	66%	0.657	70%	0.697	S	S	*	*				0	0	0	-76.1	-37.6	0	0	0	114	V2247 I2251 K3026 N3027	V2247-D2249 PolarHBondContact O-N 3.47Å; D2249-I2251 VanDerWaalsContact C-N 3.33Å; D2249-I2251 PolarHBondContact O-N 3.25Å; D2249-I2251 VanDerWaalsContact O-N 3.08Å; D2249-K3026 HydrophobicContact CB-CB 4.44Å; D2249-K3026 HydrophobicContact CB-CG 4.46Å; D2249-K3026 VanDerWaalsContact OD2-CA 3.29Å; D2249-K3026 WeakPolarHBondContact OD2-CA 3.43Å; D2249-K3026 WeakPolarHBondContact OD2-CB 3.27Å; D2249-N3027 PolarHBondContact OD2-ND2 3.36Å
2250	I	43.4	Very low	41	Very low	133.2 Å²	133.2	125.9 Å²	125.9	68%	0.683	70%	0.702	S	S	*	*				0	96.7	0	-51.8	173.7	0	0	0	108.9	P2248 E2252 S2733 I2734	P2248-I2250 HydrophobicContact CB-CD1 4.4Å; P2248-I2250 HydrophobicContact CB-CG1 4.23Å; P2248-I2250 HydrophobicContact CG-CD1 4.21Å; P2248-I2250 HydrophobicContact CG-CG1 4.41Å; P2248-I2250 PolarHBondContact O-N 3.22Å; P2248-I2250 VanDerWaalsContact O-N 3.12Å; I2250-E2252 VanDerWaalsContact C-N 3.29Å; I2250-E2252 PolarHBondContact O-N 3.09Å; I2250-S2733 WeakPolarHBondContact CD1-O 2.56Å; I2250-S2733 WeakPolarHBondContact CG1-O 3.17Å; I2250-I2734 VanDerWaalsContact CA-CD1 3.45Å; I2250-I2734 HydrophobicContact CB-CD1 2.98Å; I2250-I2734 HydrophobicContact CB-CG1 3.9Å; I2250-I2734 VanDerWaalsContact CD1-CA 3.48Å; I2250-I2734 HydrophobicContact CD1-CB 2.9Å; I2250-I2734 HydrophobicContact CD1-CD1 2.62Å; I2250-I2734 HydrophobicContact CD1-CG1 2.35Å; I2250-I2734 HydrophobicContact CD1-CG2 4.34Å; I2250-I2734 HydrophobicContact CG1-CB 3.75Å; I2250-I2734 HydrophobicContact CG1-CD1 2.19Å; I2250-I2734 HydrophobicContact CG1-CG1 2.62Å; I2250-I2734 HydrophobicContact CG2-CD1 4.43Å
2251	I	45.6	Very low	41	Very low	119.4 Å²	119.4	123.5 Å²	123.5	61%	0.612	70%	0.696	S	S	*	*			trans	-75.6	0	165.6	-61	174.5	0	0	0	109.2	D2249 E2253 L3025 K3026 V3087 R3089 Y3146	D2249-I2251 VanDerWaalsContact C-N 3.33Å; D2249-I2251 PolarHBondContact O-N 3.25Å; D2249-I2251 VanDerWaalsContact O-N 3.08Å; I2251-E2253 HydrophobicContact CG2-CG 4.25Å; I2251-E2253 PolarHBondContact O-N 2.98Å; I2251-E2253 VanDerWaalsContact O-N 3.12Å; I2251-L3025 HydrophobicContact CD1-CD1 3.63Å; I2251-K3026 HydrophobicContact CD1-CG 3.9Å; I2251-V3087 WeakPolarHBondContact CA-O 3.22Å; I2251-R3089 HydrophobicContact CG2-CB 3.92Å; I2251-R3089 HydrophobicContact CG2-CG 4.08Å; I2251-Y3146 HydrophobicContact CD1-CE1 3.92Å; I2251-Y3146 WeakPolarHBondContact CD1-OH 3.45Å
2252	E	51.8	Low	40.8	Very low	151.6 Å²	151.6	122.7 Å²	122.7	71%	0.708	70%	0.698	S	S	*	*				0	112.1	0	-117.2	-179.7	171.3	0	0	110.4	I2250 V2254 V3087 Q3088 R3089	I2250-E2252 VanDerWaalsContact C-N 3.29Å; I2250-E2252 PolarHBondContact O-N 3.09Å; E2252-V2254 VanDerWaalsContact C-N 3.32Å; E2252-V2254 HydrophobicContact CB-CG2 4.28Å; E2252-V2254 HydrophobicContact CG-CG2 4.19Å; E2252-V2254 PolarHBondContact O-N 3.07Å; E2252-V3087 PolarHBondContact N-O 2.83Å; E2252-Q3088 HydrophobicContact CB-CG 4.14Å; E2252-Q3088 CarbonylContact O-C 3.57Å; E2252-Q3088 WeakPolarHBondContact O-CA 3.42Å; E2252-Q3088 PolarHBondContact OE2-NE2 3.27Å; E2252-R3089 PolarHBondContact O-N 2.89Å
2253	E	49.1	Very low	40.6	Very low	149 Å²	149	125.4 Å²	125.4	70%	0.696	70%	0.7	S	S	*	*			trans	-81.4	0	173.5	-137.6	179	-176.5	0	0	110.8	I2251 I2255 R3089 R3091	I2251-E2253 HydrophobicContact CG2-CG 4.25Å; I2251-E2253 PolarHBondContact O-N 2.98Å; I2251-E2253 VanDerWaalsContact O-N 3.12Å; E2253-I2255 HydrophobicContact CG-CG1 4.14Å; E2253-I2255 PolarHBondContact O-N 3.12Å; E2253-R3089 HydrophobicContact CB-CG 4.39Å; E2253-R3089 HydrophobicContact CG-CG 4.41Å; E2253-R3089 IonicContact OE2-CZ 3.18Å; E2253-R3089 IonicContact OE2-NE 2.7Å; E2253-R3089 PolarHBondContact OE2-NE 2.83Å; E2253-R3089 IonicContact OE2-NH2 3.63Å; E2253-R3089 PolarHBondContact OE2-NH2 3.27Å; E2253-R3091 HydrophobicContact CG-CG 4.39Å; E2253-R3091 IonicContact OE1-CZ 3.15Å; E2253-R3091 IonicContact OE1-NE 3.1Å; E2253-R3091 PolarHBondContact OE1-NE 2.94Å; E2253-R3091 IonicContact OE1-NH2 3.67Å; E2253-R3091 PolarHBondContact OE1-NH2 2.97Å; E2253-R3091 IonicContact OE2-NE 3.41Å
2254	V	50.1	Low	40.4	Very low	82.6 Å²	82.6	127.4 Å²	127.4	50%	0.501	70%	0.7	S	S	.	*				0	110.8	0	-172.2	0	0	0	0	109.5	E2252 Y2256 Q3088 R3089	E2252-V2254 VanDerWaalsContact C-N 3.32Å; E2252-V2254 HydrophobicContact CB-CG2 4.28Å; E2252-V2254 HydrophobicContact CG-CG2 4.19Å; E2252-V2254 PolarHBondContact O-N 3.07Å; V2254-Y2256 HydrophobicContact CB-CD2 4.49Å; V2254-Y2256 HydrophobicContact CG1-CD2 3.69Å; V2254-Y2256 HydrophobicContact CG1-CE2 3.86Å; V2254-Y2256 HydrophobicContact CG1-CG 4.14Å; V2254-Y2256 PolarHBondContact O-N 3.11Å; V2254-Y2256 VanDerWaalsContact O-N 3.12Å; V2254-Q3088 HydrophobicContact CG2-CB 4.16Å; V2254-Q3088 VanDerWaalsContact CG2-OE1 3.28Å; V2254-R3089 PolarHBondContact N-O 3.05Å
2255	I	46.9	Very low	40.2	Very low	127.6 Å²	127.6	127.6 Å²	127.6	65%	0.654	70%	0.697	S	S	*	*			trans	-78.5	0	170.7	-47.5	174.1	0	0	0	109.5	E2253 D2257	E2253-I2255 HydrophobicContact CG-CG1 4.14Å; E2253-I2255 PolarHBondContact O-N 3.12Å; I2255-D2257 PolarHBondContact O-N 3.25Å
2256	Y	42.6	Very low	40	Very low	183.6 Å²	183.6	132.4 Å²	132.4	72%	0.72	71%	0.705	S	S	*	*				0	99	0	-82.9	-78.1	0	0	0	111.1	V2254 G2258 M3090 Q3096	V2254-Y2256 HydrophobicContact CB-CD2 4.49Å; V2254-Y2256 HydrophobicContact CG1-CD2 3.69Å; V2254-Y2256 HydrophobicContact CG1-CE2 3.86Å; V2254-Y2256 HydrophobicContact CG1-CG 4.14Å; V2254-Y2256 PolarHBondContact O-N 3.11Å; V2254-Y2256 VanDerWaalsContact O-N 3.12Å; Y2256-G2258 PolarHBondContact O-N 3.16Å; Y2256-M3090 HydrophobicContact CD2-SD 4.19Å; Y2256-M3090 HydrophobicContact CE2-SD 4.05Å; Y2256-Q3096 PolarHBondContact O-NE2 3.39Å
2257	D	43.6	Very low	39.7	Very low	131.6 Å²	131.6	130.6 Å²	130.6	70%	0.704	70%	0.697	S	S	*	*			trans	-56.7	115.3	146.6	-128.8	-8.7	0	0	0	113.2	I2255 L2259 E2260 V2261	I2255-D2257 PolarHBondContact O-N 3.25Å; D2257-L2259 PolarHBondContact O-N 2.87Å; D2257-L2259 WeakPolarHBondContact OD1-CB 3.49Å; D2257-L2259 WeakPolarHBondContact OD1-CD1 3.32Å; D2257-L2259 WeakPolarHBondContact OD1-CG 3.39Å; D2257-L2259 PolarHBondContact OD1-N 2.97Å; D2257-E2260 PolarHBondContact OD1-N 3.28Å; D2257-E2260 WeakPolarHBondContact OD2-CA 3.11Å; D2257-E2260 WeakPolarHBondContact OD2-CB 3.16Å; D2257-E2260 PolarHBondContact OD2-N 3.46Å; D2257-V2261 PolarHBondContact OD2-N 3.28Å
2258	G	37.8	Very low	39.4	Very low	70.8 Å²	70.8	133.3 Å²	133.3	73%	0.73	70%	0.702	S	S	*	*			trans	-137	69.2	142.8	0	0	0	0	0	112.1	Y2256 E2260	Y2256-G2258 PolarHBondContact O-N 3.16Å; G2258-E2260 VanDerWaalsContact C-N 3.27Å; G2258-E2260 PolarHBondContact O-N 3.09Å
2259	L	38.4	Very low	39.1	Very low	153.2 Å²	153.2	134.3 Å²	134.3	80%	0.802	71%	0.709	S	S	*	*			trans	-85.1	86.5	156.1	-73.3	171.4	0	0	0	111.8	D2257 V2261	D2257-L2259 PolarHBondContact O-N 2.87Å; D2257-L2259 WeakPolarHBondContact OD1-CB 3.49Å; D2257-L2259 WeakPolarHBondContact OD1-CD1 3.32Å; D2257-L2259 WeakPolarHBondContact OD1-CG 3.39Å; D2257-L2259 PolarHBondContact OD1-N 2.97Å; L2259-V2261 HydrophobicContact CD2-CB 4.03Å; L2259-V2261 HydrophobicContact CD2-CG2 4.33Å; L2259-V2261 PolarHBondContact O-N 3.46Å
2260	E	38.5	Very low	38.6	Very low	185.4 Å²	185.4	132.4 Å²	132.4	87%	0.866	71%	0.71	S	S	*	*			trans	-102.5	94.5	153.9	-76.4	-166.5	167.3	0	0	111.7	D2257 G2258 A2262	D2257-E2260 PolarHBondContact OD1-N 3.28Å; D2257-E2260 WeakPolarHBondContact OD2-CA 3.11Å; D2257-E2260 WeakPolarHBondContact OD2-CB 3.16Å; D2257-E2260 PolarHBondContact OD2-N 3.46Å; G2258-E2260 VanDerWaalsContact C-N 3.27Å; G2258-E2260 PolarHBondContact O-N 3.09Å; E2260-A2262 PolarHBondContact O-N 3.13Å
2261	V	35.7	Very low	38.1	Very low	111.6 Å²	111.6	133.3 Å²	133.3	68%	0.676	71%	0.714	S	S	*	*			trans	-71.2	109.1	145.9	-179.4	0	0	0	0	109.8	D2257 L2259 F2263	D2257-V2261 PolarHBondContact OD2-N 3.28Å; L2259-V2261 HydrophobicContact CD2-CB 4.03Å; L2259-V2261 HydrophobicContact CD2-CG2 4.33Å; L2259-V2261 PolarHBondContact O-N 3.46Å; V2261-F2263 VanDerWaalsContact C-N 3.3Å; V2261-F2263 HydrophobicContact CB-CD2 3.34Å; V2261-F2263 HydrophobicContact CB-CE2 3.35Å; V2261-F2263 HydrophobicContact CB-CG 4.43Å; V2261-F2263 HydrophobicContact CB-CZ 4.46Å; V2261-F2263 HydrophobicContact CG1-CB 3.66Å; V2261-F2263 HydrophobicContact CG1-CD1 3.81Å; V2261-F2263 CovalentContact CG1-CD2 1.91Å; V2261-F2263 HydrophobicContact CG1-CD2 3.12Å; V2261-F2263 VanDerWaalsContact CG1-CD2 3.48Å; V2261-F2263 HydrophobicContact CG1-CE1 4Å; V2261-F2263 HydrophobicContact CG1-CE2 3Å; V2261-F2263 HydrophobicContact CG1-CG 2.88Å; V2261-F2263 HydrophobicContact CG1-CZ 3.36Å; V2261-F2263 HydrophobicContact CG2-CD2 3.99Å; V2261-F2263 HydrophobicContact CG2-CE2 3.4Å; V2261-F2263 HydrophobicContact CG2-CZ 4.28Å; V2261-F2263 WeakPolarHBondContact O-CD2 3.47Å; V2261-F2263 PolarHBondContact O-N 3.18Å
2262	A	31.8	Very low	37.4	Very low	88.4 Å²	88.4	132.9 Å²	132.9	73%	0.731	71%	0.714	S	S	*	*			trans	-90.1	108.8	161.4	0	0	0	0	0	110	E2260 Q2264	E2260-A2262 PolarHBondContact O-N 3.13Å; A2262-Q2264 VanDerWaalsContact C-N 3.31Å; A2262-Q2264 PolarHBondContact O-N 3.46Å; A2262-Q2264 VanDerWaalsContact O-N 3.1Å
2263	F	31.1	Very low	36.6	Very low	183.8 Å²	183.8	134.7 Å²	134.7	81%	0.806	72%	0.719	S	S	*	*			trans	-81.2	120.4	159.4	-83.8	-77.1	0	0	0	109.1	V2261 D2265	V2261-F2263 VanDerWaalsContact C-N 3.3Å; V2261-F2263 HydrophobicContact CB-CD2 3.34Å; V2261-F2263 HydrophobicContact CB-CE2 3.35Å; V2261-F2263 HydrophobicContact CB-CG 4.43Å; V2261-F2263 HydrophobicContact CB-CZ 4.46Å; V2261-F2263 HydrophobicContact CG1-CB 3.66Å; V2261-F2263 HydrophobicContact CG1-CD1 3.81Å; V2261-F2263 CovalentContact CG1-CD2 1.91Å; V2261-F2263 HydrophobicContact CG1-CD2 3.12Å; V2261-F2263 VanDerWaalsContact CG1-CD2 3.48Å; V2261-F2263 HydrophobicContact CG1-CE1 4Å; V2261-F2263 HydrophobicContact CG1-CE2 3Å; V2261-F2263 HydrophobicContact CG1-CG 2.88Å; V2261-F2263 HydrophobicContact CG1-CZ 3.36Å; V2261-F2263 HydrophobicContact CG2-CD2 3.99Å; V2261-F2263 HydrophobicContact CG2-CE2 3.4Å; V2261-F2263 HydrophobicContact CG2-CZ 4.28Å; V2261-F2263 WeakPolarHBondContact O-CD2 3.47Å; V2261-F2263 PolarHBondContact O-N 3.18Å; F2263-D2265 HydrophobicContact CB-CB 4Å; F2263-D2265 HydrophobicContact CD1-CB 4.43Å; F2263-D2265 WeakPolarHBondContact CD1-OD1 3.37Å; F2263-D2265 HydrophobicContact CG-CB 4.43Å; F2263-D2265 PolarHBondContact O-N 3.04Å
2264	Q	31.6	Very low	35.8	Very low	171.4 Å²	171.4	131.7 Å²	131.7	80%	0.801	71%	0.714	S	S	*	*			trans	-96.9	116.3	164.4	-93.7	-176.3	-35	0	0	111.4	A2262 E2266 S2267 H2268	A2262-Q2264 VanDerWaalsContact C-N 3.31Å; A2262-Q2264 PolarHBondContact O-N 3.46Å; A2262-Q2264 VanDerWaalsContact O-N 3.1Å; Q2264-E2266 VanDerWaalsContact C-C 3.44Å; Q2264-E2266 HydrophobicContact CB-CB 4.3Å; Q2264-E2266 HydrophobicContact CG-CB 4.06Å; Q2264-E2266 PolarHBondContact NE2-OE2 2.88Å; Q2264-E2266 CarbonylContact O-C 3.49Å; Q2264-E2266 VanDerWaalsContact O-C 3.31Å; Q2264-E2266 PolarHBondContact O-N 2.99Å; Q2264-S2267 CarbonylContact O-C 3.55Å; Q2264-S2267 WeakPolarHBondContact O-CA 3.2Å; Q2264-S2267 PolarHBondContact O-N 3.49Å; Q2264-S2267 VanDerWaalsContact O-N 3.16Å; Q2264-H2268 PolarHBondContact O-N 3.34Å
2265	D	31.4	Very low	35.2	Very low	140.4 Å²	140.4	134 Å²	134	75%	0.751	72%	0.723	S	S	*	*			trans	-40.6	101	148.4	-85.9	-26.2	0	0	0	112.7	F2263 S2267	F2263-D2265 HydrophobicContact CB-CB 4Å; F2263-D2265 HydrophobicContact CD1-CB 4.43Å; F2263-D2265 WeakPolarHBondContact CD1-OD1 3.37Å; F2263-D2265 HydrophobicContact CG-CB 4.43Å; F2263-D2265 PolarHBondContact O-N 3.04Å; D2265-S2267 VanDerWaalsContact CA-N 3.31Å; D2265-S2267 PolarHBondContact O-N 3.09Å
2266	E	31.1	Very low	34.6	Very low	156.6 Å²	156.6	136.2 Å²	136.2	73%	0.732	73%	0.727	S	S	*	*				-147.1	106.7	128.9	-132.6	-138.5	125.7	0	0	112.7	Q2264 H2268	Q2264-E2266 VanDerWaalsContact C-C 3.44Å; Q2264-E2266 HydrophobicContact CB-CB 4.3Å; Q2264-E2266 HydrophobicContact CG-CB 4.06Å; Q2264-E2266 PolarHBondContact NE2-OE2 2.88Å; Q2264-E2266 CarbonylContact O-C 3.49Å; Q2264-E2266 VanDerWaalsContact O-C 3.31Å; Q2264-E2266 PolarHBondContact O-N 2.99Å; E2266-H2268 IonicContact OE1-CE1 3.47Å; E2266-H2268 PolarHBondContact OE1-CE1 2.86Å; E2266-H2268 IonicContact OE1-ND1 3.1Å; E2266-H2268 PolarHBondContact OE1-ND1 3.25Å; E2266-H2268 IonicContact OE2-CE1 2.9Å; E2266-H2268 PolarHBondContact OE2-CE1 2.9Å; E2266-H2268 IonicContact OE2-ND1 2.68Å; E2266-H2268 PolarHBondContact OE2-ND1 3.42Å; E2266-H2268 VanDerWaalsContact OE2-ND1 3.1Å
2267	S	32.2	Very low	34.1	Very low	86.4 Å²	86.4	131.7 Å²	131.7	60%	0.604	72%	0.723	S	S	*	*			trans	98.6	0	152.5	63.2	0	0	0	0	116.7	Q2264 D2265 P2269 L2458	Q2264-S2267 CarbonylContact O-C 3.55Å; Q2264-S2267 WeakPolarHBondContact O-CA 3.2Å; Q2264-S2267 PolarHBondContact O-N 3.49Å; Q2264-S2267 VanDerWaalsContact O-N 3.16Å; D2265-S2267 VanDerWaalsContact CA-N 3.31Å; D2265-S2267 PolarHBondContact O-N 3.09Å; S2267-P2269 VanDerWaalsContact O-CD 3.3Å; S2267-P2269 WeakPolarHBondContact O-CD 3.29Å; S2267-L2458 VanDerWaalsContact CA-CG 3.45Å; S2267-L2458 CovalentContact CB-CD1 1.34Å; S2267-L2458 WeakPolarHBondContact O-CD1 3.11Å; S2267-L2458 WeakPolarHBondContact OG-CB 3.14Å; S2267-L2458 CovalentContact OG-CD1 1.79Å; S2267-L2458 WeakPolarHBondContact OG-CD1 3.44Å; S2267-L2458 WeakPolarHBondContact OG-CD2 3.2Å; S2267-L2458 WeakPolarHBondContact OG-CG 3.33Å
2268	H	31.5	Very low	33.7	Very low	166.6 Å²	166.6	132.5 Å²	132.5	77%	0.771	73%	0.727	S	S	*	*				0	139.7	0	-73.3	-28.5	0	0	0	113.1	Q2264 E2266 A2270 L2458	Q2264-H2268 PolarHBondContact O-N 3.34Å; E2266-H2268 IonicContact OE1-CE1 3.47Å; E2266-H2268 PolarHBondContact OE1-CE1 2.86Å; E2266-H2268 IonicContact OE1-ND1 3.1Å; E2266-H2268 PolarHBondContact OE1-ND1 3.25Å; E2266-H2268 IonicContact OE2-CE1 2.9Å; E2266-H2268 PolarHBondContact OE2-CE1 2.9Å; E2266-H2268 IonicContact OE2-ND1 2.68Å; E2266-H2268 PolarHBondContact OE2-ND1 3.42Å; E2266-H2268 VanDerWaalsContact OE2-ND1 3.1Å; H2268-A2270 PolarHBondContact O-N 2.83Å; H2268-L2458 WeakPolarHBondContact O-CD1 3.07Å
2269	P	34.8	Very low	33.5	Very low	105 Å²	105	133.2 Å²	133.2	68%	0.682	72%	0.721	S	S	*	*				-123.2	125.8	112.6	33.9	-21.6	0	0	0	113.5	S2267 I2271 N2272 I2456	S2267-P2269 VanDerWaalsContact O-CD 3.3Å; S2267-P2269 WeakPolarHBondContact O-CD 3.29Å; P2269-I2271 PolarHBondContact O-N 3.1Å; P2269-N2272 PolarHBondContact O-N 3.15Å; P2269-I2456 HydrophobicContact CB-CB 1.83Å; P2269-I2456 HydrophobicContact CB-CD1 1.58Å; P2269-I2456 CovalentContact CB-CG1 0.98Å; P2269-I2456 HydrophobicContact CB-CG1 0.98Å; P2269-I2456 HydrophobicContact CB-CG2 2.2Å; P2269-I2456 VanDerWaalsContact CG-C 3.43Å; P2269-I2456 CovalentContact CG-CB 1.31Å; P2269-I2456 HydrophobicContact CG-CB 1.31Å; P2269-I2456 HydrophobicContact CG-CD1 2.27Å; P2269-I2456 HydrophobicContact CG-CG1 1.98Å; P2269-I2456 CovalentContact CG-CG2 0.95Å; P2269-I2456 HydrophobicContact CG-CG2 0.95Å; P2269-I2456 VanDerWaalsContact N-CG1 3.3Å; P2269-I2456 WeakPolarHBondContact O-CD1 2.91Å
2270	A	30.8	Very low	33	Very low	81.6 Å²	81.6	130.8 Å²	130.8	67%	0.674	72%	0.716	S	S	*	*				-53.1	120.6	117.2	0	0	0	0	0	111.2	H2268 I2456	H2268-A2270 PolarHBondContact O-N 2.83Å; A2270-I2456 WeakPolarHBondContact O-CD1 3.23Å
2271	I	33.1	Very low	32.9	Very low	152 Å²	152	130.1 Å²	130.1	78%	0.779	71%	0.71	S	S	*	*			trans	-138.7	114.6	160.1	-60.2	175.1	0	0	0	111.2	P2269 V2455 I2456	P2269-I2271 PolarHBondContact O-N 3.1Å; I2271-V2455 HydrophobicContact CD1-CB 3.87Å; I2271-V2455 HydrophobicContact CD1-CG1 4.4Å; I2271-V2455 HydrophobicContact CD1-CG2 3.08Å; I2271-V2455 HydrophobicContact CG1-CG2 4.22Å; I2271-I2456 HydrophobicContact CG1-CD1 4.48Å
2272	N	31.6	Very low	32.9	Very low	111.2 Å²	111.2	131.4 Å²	131.4	60%	0.595	71%	0.713	S	S	*	*			trans	-119.8	133.1	141	-81.5	-53.9	0	0	0	113.6	P2269 P2451	P2269-N2272 PolarHBondContact O-N 3.15Å; N2272-P2451 HydrophobicContact CB-CB 3.66Å; N2272-P2451 HydrophobicContact CB-CG 4.21Å; N2272-P2451 WeakPolarHBondContact ND2-CB 3.3Å
2273	K	35.9	Very low	32.9	Very low	190.8 Å²	190.8	131.9 Å²	131.9	83%	0.83	71%	0.712	S	S	*	*			trans	114.5	131.9	136.4	-68.6	167.1	-175.6	172	0	114.5
2274	S	32.1	Very low	33.1	Very low	85 Å²	85	128.3 Å²	128.3	59%	0.594	71%	0.707	S	S	*	*			cis	141.3	148.8	32.5	74.8	0	0	0	0	112.2
2275	I	35.8	Very low	33	Very low	131.4 Å²	131.4	129.4 Å²	129.4	67%	0.674	71%	0.709	S	S	*	*				107.2	118	123.3	-83.3	163.1	0	0	0	115.3
2276	K	34.2	Very low	33	Very low	172.4 Å²	172.4	127.5 Å²	127.5	75%	0.75	71%	0.706	S	S	*	*				85.5	135.3	128.7	-75.6	168.2	-177.2	178.9	0	113.7
2277	S	33.9	Very low	33.1	Very low	89.8 Å²	89.8	126.7 Å²	126.7	63%	0.628	71%	0.706	S	S	*	*				115.2	128.6	59.1	53.5	0	0	0	0	111.1
2278	D	34.6	Very low	33.2	Very low	149.4 Å²	149.4	128.1 Å²	128.1	80%	0.799	71%	0.713	S	S	*	*				-178	158.1	56.1	-112.7	-40.1	0	0	0	112.1
2279	S	32.4	Very low	33.3	Very low	85.6 Å²	85.6	123.5 Å²	123.5	60%	0.599	71%	0.711	S	S	*	*			trans	83.8	110.1	135.8	173.2	0	0	0	0	115.8
2280	C	29.6	Very low	33.1	Very low	102.2 Å²	102.2	123.5 Å²	123.5	69%	0.691	71%	0.713	S	S	*	*				61.3	132.9	107.7	-62.1	0	0	0	0	116.1
2281	K	36.2	Very low	33.5	Very low	170 Å²	170	124.1 Å²	124.1	74%	0.739	71%	0.711	S	S	*	*				-177.6	135.9	66.4	-97	164.6	-171.1	166.3	0	112.7
2282	N	35.2	Very low	33.4	Very low	138.6 Å²	138.6	123.7 Å²	123.7	74%	0.741	71%	0.71	S	S	*	*			trans	68.7	125.1	133.7	-60	-8.2	0	0	0	118.9
2283	S	30.9	Very low	33.4	Very low	100.6 Å²	100.6	123.9 Å²	123.9	70%	0.703	72%	0.715	S	S	*	*				107.5	152.1	75.8	49.2	0	0	0	0	113.5
2284	P	35.5	Very low	33.2	Very low	107.8 Å²	107.8	121.4 Å²	121.4	70%	0.7	71%	0.709	S	S	*	*			trans	-136.8	164.3	-141.8	38.5	-21.9	0	0	0	115
2285	K	30.8	Very low	33.1	Very low	195 Å²	195	125.4 Å²	125.4	85%	0.848	72%	0.719	S	S	*	*			trans	147.8	136.6	157.5	-86.6	165.6	-174.5	179.2	0	113.9
2286	S	31.7	Very low	32.9	Very low	98.8 Å²	98.8	123.7 Å²	123.7	69%	0.691	72%	0.718	S	S	*	*				-152.8	131.1	50.4	53.3	0	0	0	0	114
2287	L	32.1	Very low	32.7	Very low	141.4 Å²	141.4	121 Å²	121	74%	0.74	72%	0.716	S	S	*	*				51.9	149.9	112	-91.9	98.3	0	0	0	115.4	L2607 K2608	L2287-L2607 HydrophobicContact CB-CB 4.26Å; L2287-K2608 WeakPolarHBondContact CD2-O 3.35Å
2288	P	35	Very low	32.7	Very low	114 Å²	114	122 Å²	122	74%	0.74	72%	0.719	S	S	*	*				-104.7	173.3	96.6	28.1	-10.7	0	0	0	114.7	P2609	P2288-P2609 VanDerWaalsContact O-CD 3.31Å; P2288-P2609 WeakPolarHBondContact O-CD 3.42Å
2289	G	32.1	Very low	32.7	Very low	70.8 Å²	70.8	123.5 Å²	123.5	73%	0.73	72%	0.718	S	S	*	*			trans	157.2	125.5	142.3	0	0	0	0	0	114.4
2290	S	32.4	Very low	32.7	Very low	105 Å²	105	129.1 Å²	129.1	73%	0.734	73%	0.731	S	S	*	*			trans	-135.5	172.7	162.1	70.3	0	0	0	0	110.3
2291	P	37.9	Very low	32.8	Very low	95 Å²	95	127.5 Å²	127.5	62%	0.617	73%	0.732	S	S	*	*			cis	-123.9	170.7	38.3	39.6	-19.8	0	0	0	114
2292	N	30.7	Very low	32.5	Very low	142 Å²	142	126.7 Å²	126.7	76%	0.759	74%	0.735	S	S	*	*				111.4	137.6	102.6	-122.9	2.6	0	0	0	117.3
2293	V	31.8	Very low	32.5	Very low	117 Å²	117	126.6 Å²	126.6	71%	0.709	73%	0.734	S	S	*	*			trans	76.8	139.9	142.6	-171.1	0	0	0	0	113.9
2294	I	32.8	Very low	32.6	Very low	137.6 Å²	137.6	130.1 Å²	130.1	71%	0.706	74%	0.74	S	S	*	*				167.7	115.2	111.3	-68	177.8	0	0	0	112.6
2295	E	30.3	Very low	32.5	Very low	170 Å²	170	130.1 Å²	130.1	79%	0.794	74%	0.74	S	S	*	*				46.2	143.1	118.9	-95.7	175.6	175.1	0	0	119.4
2296	S	31.1	Very low	32.4	Very low	94.2 Å²	94.2	127.8 Å²	127.8	66%	0.659	74%	0.736	S	S	*	*			cis	166.2	136.8	30.7	161	0	0	0	0	112.3
2297	T	30.2	Very low	32.5	Very low	116.4 Å²	116.4	130.6 Å²	130.6	71%	0.714	74%	0.74	S	S	*	*				99.2	129.3	98.8	-38.1	0	0	0	0	114.7
2298	V	32.6	Very low	32.3	Very low	111.4 Å²	111.4	129.6 Å²	129.6	68%	0.675	74%	0.735	S	S	*	*			trans	120.1	104.4	142.9	-178.9	0	0	0	0	116.1
2299	K	35.6	Very low	32.2	Very low	179.2 Å²	179.2	130.7 Å²	130.7	78%	0.779	73%	0.734	S	S	*	*				71.2	123.3	120	-71.5	173.1	-173.2	165.5	0	118.8
2300	K	33.2	Very low	32.2	Very low	203.8 Å²	203.8	132.5 Å²	132.5	89%	0.886	73%	0.731	S	S	*	*				98.5	125.8	122.7	-107.5	-176.8	178.2	-174.7	0	115.8
2301	G	31.4	Very low	32.1	Very low	68.6 Å²	68.6	134.1 Å²	134.1	71%	0.707	73%	0.731	S	S	*	*				108.4	143.6	129.6	0	0	0	0	0	113.2
2302	L	30	Very low	31.7	Very low	153 Å²	153	133.8 Å²	133.8	80%	0.801	73%	0.731	S	S	*	*			cis	124.8	126.5	19	-146.1	80.2	0	0	0	111
2303	N	34.3	Very low	31.6	Very low	136.4 Å²	136.4	135.7 Å²	135.7	73%	0.729	73%	0.733	S	S	*	*			trans	94	126.8	139.9	-61.4	-34.1	0	0	0	114.7
2304	Q	32.7	Very low	31.4	Very low	174.2 Å²	174.2	137.8 Å²	137.8	81%	0.814	74%	0.735	S	S	*	*				-141.1	155.8	117.9	-72.6	-129.4	10.7	0	0	109.9
2305	P	34.2	Very low	31.3	Very low	109 Å²	109	137.6 Å²	137.6	71%	0.708	73%	0.734	S	S	*	*				-137.6	163.8	81.9	39	-25	0	0	0	113.5
2306	L	29.2	Very low	31.1	Very low	145 Å²	145	136 Å²	136	76%	0.759	73%	0.73	S	S	*	*				151.6	134.5	110.8	-164.5	73.8	0	0	0	114.2	D2308	L2306-D2308 HydrophobicContact CG-CB 4.42Å
2307	M	32.9	Very low	31	Very low	158.2 Å²	158.2	138.1 Å²	138.1	78%	0.779	73%	0.734	S	S	*	*			trans	75.7	134.7	143.7	-76.5	-136.9	166.6	0	0	115.5
2308	D	28.8	Very low	30.9	Very low	119.8 Å²	119.8	136.8 Å²	136.8	64%	0.641	73%	0.73	S	S	*	*			cis	159.7	152.5	9.7	-131.2	-13	0	0	0	110.1	L2306	L2306-D2308 HydrophobicContact CG-CB 4.42Å
2309	I	32.9	Very low	30.7	Very low	138.2 Å²	138.2	135.6 Å²	135.6	71%	0.709	73%	0.726	S	S	*	*			trans	71.2	106.1	142.5	-57	173.2	0	0	0	113.1
2310	T	31.3	Very low	30.4	Very low	108.6 Å²	108.6	132.7 Å²	132.7	67%	0.666	72%	0.723	S	S	*	*				101.4	134.1	66.2	-30.9	0	0	0	0	113.1
2311	D	30.6	Very low	30.3	Very low	139.2 Å²	139.2	127.5 Å²	127.5	74%	0.744	71%	0.708	S	S	*	*			trans	113.5	139.1	133.4	-90.3	-26.5	0	0	0	114.5
2312	S	28.1	Very low	30.3	Very low	88 Å²	88	130 Å²	130	62%	0.615	71%	0.706	S	S	*	*			cis	151.1	155.8	28.2	-112.4	0	0	0	0	114
2313	F	29	Very low	30.4	Very low	182.2 Å²	182.2	128.5 Å²	128.5	80%	0.799	70%	0.698	S	S	*	*			trans	74.4	125.1	152.8	-74.8	-70.4	0	0	0	119.7
2314	H	28.5	Very low	30.3	Very low	161.4 Å²	161.4	131 Å²	131	75%	0.747	70%	0.703	S	S	*	*				76.5	126.2	111.9	-114.3	-99.5	0	0	0	117.3
2315	I	30.5	Very low	30.2	Very low	132.4 Å²	132.4	127.7 Å²	127.7	68%	0.679	70%	0.699	S	S	*	*				118.4	124.3	110.7	-68	169.2	0	0	0	114.1	L2317	I2315-L2317 HydrophobicContact CG2-CD1 4.3Å
2316	N	26.7	Very low	30.3	Very low	135.8 Å²	135.8	127.9 Å²	127.9	73%	0.726	70%	0.7	S	S	*	*				59.1	143.7	128.5	-95.6	-26.7	0	0	0	117.4
2317	L	28.9	Very low	30.5	Very low	140 Å²	140	127.9 Å²	127.9	73%	0.733	70%	0.701	S	S	*	*				126.2	0	83.3	-128.5	74.4	0	0	0	114.6	I2315	I2315-L2317 HydrophobicContact CG2-CD1 4.3Å
2318	S	28.5	Very low	30.5	Very low	89 Å²	89	125.9 Å²	125.9	62%	0.622	70%	0.697	S	S	*	*				0	0	0	52.7	0	0	0	0	114.8
2319	S	27.1	Very low	30.6	Very low	85.4 Å²	85.4	127.3 Å²	127.3	60%	0.597	70%	0.704	S	S	*	*				0	146.9	0	66.5	0	0	0	0	115.5	S2751 G2752	S2319-S2751 CarbonylContact C-O 2.6Å; S2319-S2751 CovalentContact CA-O 1.47Å; S2319-S2751 WeakPolarHBondContact CA-O 3.46Å; S2319-S2751 WeakPolarHBondContact CB-O 3.19Å; S2319-S2751 VanDerWaalsContact N-C 3.26Å; S2319-S2751 PolarHBondContact N-O 3.37Å; S2319-S2751 PolarHBondContact N-OG 3.38Å; S2319-S2751 VanDerWaalsContact N-OG 3.09Å; S2319-G2752 VanDerWaalsContact OG-CA 3.29Å; S2319-G2752 WeakPolarHBondContact OG-CA 3.34Å
2320	V	30.5	Very low	30.6	Very low	118.4 Å²	118.4	124.8 Å²	124.8	72%	0.718	70%	0.699	S	S	*	*			trans	88.4	0	149.1	175.6	0	0	0	0	115.3	D2750 S2751	V2320-D2750 WeakPolarHBondContact CA-OD1 3.18Å; V2320-D2750 PolarHBondContact N-OD1 2.61Å; V2320-S2751 PolarHBondContact N-O 2.96Å
2321	T	30.3	Very low	30.4	Very low	94.4 Å²	94.4	123.9 Å²	123.9	58%	0.579	70%	0.697	S	S	*	*				0	141.6	0	54.9	0	0	0	0	115.9	D2750 G2752	T2321-D2750 WeakPolarHBondContact CA-OD2 3.01Å; T2321-D2750 PolarHBondContact N-OD1 3.1Å; T2321-D2750 PolarHBondContact N-OD2 2.73Å; T2321-G2752 WeakPolarHBondContact CB-O 3.4Å; T2321-G2752 VanDerWaalsContact CG2-C 3.42Å; T2321-G2752 WeakPolarHBondContact CG2-O 2.99Å; T2321-G2752 PolarHBondContact OG1-O 2.84Å
2322	N	31.3	Very low	30.3	Very low	122.2 Å²	122.2	124 Å²	124	65%	0.653	70%	0.696	S	S	*	*				152.1	0	119.8	-98.2	-2.6	0	0	0	117.1	S2341 N2342 D2750	N2322-S2341 PolarHBondContact N-OG 3.03Å; N2322-S2341 CarbonylContact O-C 3.58Å; N2322-N2342 WeakPolarHBondContact O-CB 3.43Å; N2322-D2750 PolarHBondContact N-OD2 3.32Å
2323	N	31.8	Very low	30.3	Very low	120.6 Å²	120.6	123.5 Å²	123.5	65%	0.645	70%	0.697	S	S	*	*				0	117.3	0	-62.2	-25.3	0	0	0	116.3	P2340 S2341	N2323-P2340 CarbonylContact O-C 3.09Å; N2323-P2340 WeakPolarHBondContact O-CA 3.22Å; N2323-S2341 CarbonylContact C-O 3.59Å; N2323-S2341 PolarHBondContact N-OG 3Å; N2323-S2341 PolarHBondContact O-N 3.09Å
2324	F	32.1	Very low	30.3	Very low	189.6 Å²	189.6	122.4 Å²	122.4	83%	0.832	70%	0.699	S	S	*	*				167.6	128.3	116.9	-94.4	-78.9	0	0	0	113.5	P2340 S2341	F2324-P2340 WeakPolarHBondContact O-CA 3.36Å; F2324-P2340 WeakPolarHBondContact O-CB 3.31Å; F2324-S2341 PolarHBondContact N-O 3.41Å
2325	S	30.5	Very low	30.4	Very low	104.4 Å²	104.4	118.9 Å²	118.9	73%	0.73	69%	0.69	S	S	*	*			trans	-22.1	161.7	150.8	-59.3	0	0	0	0	115.4
2326	P	37.8	Very low	30.4	Very low	112.2 Å²	112.2	118.4 Å²	118.4	73%	0.729	69%	0.688	S	S	*	*				-133.3	161.8	69.8	37.1	-19.8	0	0	0	114.3
2327	N	31.5	Very low	30.5	Very low	146 Å²	146	118.3 Å²	118.3	78%	0.781	69%	0.686	S	S	*	*			trans	150.5	124.4	140.6	-100.6	-10.9	0	0	0	112.5
2328	V	32.9	Very low	30.5	Very low	115.8 Å²	115.8	117 Å²	117	70%	0.702	68%	0.684	S	S	*	*				104.6	0	83.2	164.1	0	0	0	0	111.9
2329	L	32.9	Very low	30.5	Very low	148.8 Å²	148.8	117.8 Å²	117.8	78%	0.779	69%	0.69	S	S	*	*				0	0	0	-91.2	129.5	0	0	0	114	S1984	S1984-L2329 CarbonylContact O-C 3.39Å; S1984-L2329 WeakPolarHBondContact O-CB 3.47Å
2330	S	31.4	Very low	30.8	Very low	86.2 Å²	86.2	119 Å²	119	60%	0.603	70%	0.695	S	S	*	*				0	0	0	145.6	0	0	0	0	112.7	S1983 S1984 L1985 I2332	S1983-S2330 PolarHBondContact O-OG 2.81Å; S1984-S2330 CarbonylContact C-O 3.51Å; S1984-S2330 VanDerWaalsContact CA-O 3.24Å; S1984-S2330 WeakPolarHBondContact CA-O 3.2Å; S1984-S2330 WeakPolarHBondContact O-CB 3.49Å; S1984-S2330 PolarHBondContact O-N 3.08Å; L1985-S2330 WeakPolarHBondContact CA-O 3.3Å; L1985-S2330 VanDerWaalsContact CB-O 3.28Å; L1985-S2330 WeakPolarHBondContact CB-O 2.98Å; L1985-S2330 WeakPolarHBondContact CD2-O 3.41Å; L1985-S2330 WeakPolarHBondContact CG-O 2.98Å; L1985-S2330 PolarHBondContact N-O 3.36Å; S2330-I2332 VanDerWaalsContact OG-C 3.28Å; S2330-I2332 PolarHBondContact OG-N 3.32Å; S2330-I2332 VanDerWaalsContact OG-N 3.07Å; S2330-I2332 PolarHBondContact OG-O 3.25Å
2331	S	27.3	Very low	30.8	Very low	90.6 Å²	90.6	117.6 Å²	117.6	63%	0.634	69%	0.691	S	S	*	*				0	130.2	0	-56.6	0	0	0	0	114.1	F2056 T2057 A2058	F2056-S2331 CarbonylContact C-O 3.17Å; F2056-S2331 CarbonylContact O-C 3.5Å; F2056-S2331 PolarHBondContact O-OG 2.79Å; T2057-S2331 VanDerWaalsContact CA-OG 3.26Å; T2057-S2331 WeakPolarHBondContact CA-OG 3.22Å; A2058-S2331 VanDerWaalsContact N-CB 3.31Å; A2058-S2331 PolarHBondContact N-OG 3.16Å; A2058-S2331 VanDerWaalsContact O-CB 3.26Å; A2058-S2331 WeakPolarHBondContact O-CB 3.11Å; A2058-S2331 PolarHBondContact O-OG 3.19Å
2332	I	28.1	Very low	30.7	Very low	140.8 Å²	140.8	118.9 Å²	118.9	72%	0.722	70%	0.695	S	S	*	*			trans	144.2	0	134.5	-61.8	166.3	0	0	0	114.6	L1985 F2056 S2330	L1985-I2332 HydrophobicContact CD1-CB 4.25Å; L1985-I2332 VanDerWaalsContact CD1-N 3.34Å; L1985-I2332 VanDerWaalsContact CD1-O 3.23Å; L1985-I2332 WeakPolarHBondContact CD1-O 3.35Å; L1985-I2332 HydrophobicContact CG-CB 4.49Å; F2056-I2332 HydrophobicContact CB-CB 4.1Å; F2056-I2332 HydrophobicContact CB-CG1 3.99Å; F2056-I2332 HydrophobicContact CB-CG2 4.03Å; F2056-I2332 HydrophobicContact CD2-CD1 4.22Å; F2056-I2332 HydrophobicContact CD2-CG1 4.38Å; F2056-I2332 HydrophobicContact CD2-CG2 4.03Å; F2056-I2332 HydrophobicContact CG-CG2 4.26Å; F2056-I2332 WeakPolarHBondContact O-CA 3.16Å; F2056-I2332 PolarHBondContact O-N 3.43Å; S2330-I2332 VanDerWaalsContact OG-C 3.28Å; S2330-I2332 PolarHBondContact OG-N 3.32Å; S2330-I2332 VanDerWaalsContact OG-N 3.07Å; S2330-I2332 PolarHBondContact OG-O 3.25Å
2333	A	29.3	Very low	30.6	Very low	77 Å²	77	117.8 Å²	117.8	64%	0.636	70%	0.697	S	S	*	*				0	124.6	0	0	0	0	0	0	117.5
2334	L	28.4	Very low	30.5	Very low	159.4 Å²	159.4	118.1 Å²	118.1	84%	0.835	70%	0.702	S	S	*	*			trans	28.6	165	143.5	-73.2	130.2	0	0	0	115.1	I2336	L2334-I2336 HydrophobicContact CD2-CD1 4.3Å
2335	P	31.4	Very low	30.3	Very low	87 Å²	87	113.3 Å²	113.3	57%	0.565	69%	0.692	S	S	*	*			cis	-140.9	162.8	-23.5	32.9	-10.9	0	0	0	114.1	I2337	P2335-I2337 HydrophobicContact CG-CG1 4.4Å
2336	I	29.2	Very low	30.3	Very low	123 Å²	123	114.8 Å²	114.8	63%	0.631	70%	0.696	S	S	*	*				97.9	113.1	111.7	-60.4	-179.1	0	0	0	115.3	L2334 S2454 I2456 K2457	L2334-I2336 HydrophobicContact CD2-CD1 4.3Å; I2336-S2454 VanDerWaalsContact CG2-O 3.24Å; I2336-S2454 WeakPolarHBondContact CG2-O 3.42Å; I2336-S2454 PolarHBondContact O-N 2.84Å; I2336-I2456 VanDerWaalsContact CD1-O 3.31Å; I2336-I2456 WeakPolarHBondContact CD1-O 3.28Å; I2336-K2457 HydrophobicContact CD1-CB 3.85Å; I2336-K2457 VanDerWaalsContact CD1-N 3.28Å
2337	I	28.5	Very low	30	Very low	133 Å²	133	116.3 Å²	116.3	68%	0.682	69%	0.694	S	S	*	*				116.8	128.9	128.2	-58.4	172.5	0	0	0	114.7	P2335	P2335-I2337 HydrophobicContact CG-CG1 4.4Å
2338	T	30.1	Very low	30	Very low	112.8 Å²	112.8	114.4 Å²	114.4	69%	0.692	69%	0.69	S	S	*	*				131.8	0	93.6	46.4	0	0	0	0	114.6
2339	S	28.4	Very low	29.8	Very low	106.4 Å²	106.4	114.4 Å²	114.4	74%	0.744	69%	0.69	S	S	*	*				0	155.3	0	-9.3	0	0	0	0	111.7
2340	P	32.6	Very low	29.6	Very low	109.8 Å²	109.8	114.2 Å²	114.2	71%	0.713	69%	0.689	S	S	*	*				-138.2	158.6	-95.5	38.4	-18.4	0	0	0	115.1	N2323 F2324	N2323-P2340 CarbonylContact O-C 3.09Å; N2323-P2340 WeakPolarHBondContact O-CA 3.22Å; F2324-P2340 WeakPolarHBondContact O-CA 3.36Å; F2324-P2340 WeakPolarHBondContact O-CB 3.31Å
2341	S	30.3	Very low	29.5	Very low	90 Å²	90	119.6 Å²	119.6	63%	0.629	70%	0.702	S	S	*	*			trans	147.7	0	138.7	53.9	0	0	0	0	115.7	N2322 N2323 F2324	N2322-S2341 PolarHBondContact N-OG 3.03Å; N2322-S2341 CarbonylContact O-C 3.58Å; N2323-S2341 CarbonylContact C-O 3.59Å; N2323-S2341 PolarHBondContact N-OG 3Å; N2323-S2341 PolarHBondContact O-N 3.09Å; F2324-S2341 PolarHBondContact N-O 3.41Å
2342	N	29.1	Very low	29.6	Very low	121.4 Å²	121.4	120.3 Å²	120.3	65%	0.649	70%	0.703	S	S	*	*				0	114.2	0	-66.9	-6.1	0	0	0	115.8	N2322	N2322-N2342 WeakPolarHBondContact O-CB 3.43Å
2343	S	29.8	Very low	29.8	Very low	99.4 Å²	99.4	118.6 Å²	118.6	70%	0.695	70%	0.701	S	S	*	*				98.7	0	69	79.9	0	0	0	0	115
2344	V	29	Very low	29.8	Very low	125.6 Å²	125.6	121 Å²	121	76%	0.761	71%	0.707	S	S	*	*				0	124.4	0	172.9	0	0	0	0	110.6
2345	S	28.3	Very low	29.8	Very low	88.8 Å²	88.8	118.2 Å²	118.2	62%	0.621	70%	0.701	S	S	*	*			trans	-117.6	141.2	141.1	125.4	0	0	0	0	111.4	Q2347	S2345-Q2347 VanDerWaalsContact C-N 3.35Å; S2345-Q2347 PolarHBondContact O-N 2.9Å
2346	V	29.8	Very low	29.7	Very low	136 Å²	136	118.1 Å²	118.1	82%	0.824	71%	0.708	S	S	*	*			trans	-135.2	127.2	149.5	-170.4	0	0	0	0	111.1
2347	Q	30.8	Very low	29.7	Very low	143.6 Å²	143.6	120.2 Å²	120.2	67%	0.671	72%	0.719	S	S	*	*			trans	-95.5	154.6	163.4	-98.6	-155.7	-3.9	0	0	111.6	S2345 T2349 A2381 S2382 T2383	S2345-Q2347 VanDerWaalsContact C-N 3.35Å; S2345-Q2347 PolarHBondContact O-N 2.9Å; Q2347-T2349 PolarHBondContact O-N 2.58Å; Q2347-T2349 VanDerWaalsContact O-N 3.15Å; Q2347-A2381 VanDerWaalsContact OE1-CA 3.29Å; Q2347-S2382 PolarHBondContact OE1-OG 3.12Å; Q2347-T2383 HydrophobicContact CB-CG2 3.93Å
2348	P	31.8	Very low	29.8	Very low	107.4 Å²	107.4	121.5 Å²	121.5	70%	0.697	72%	0.722	S	S	*	*			trans	-104.1	148.3	153.1	30.8	-21.3	0	0	0	112.8	L2350	P2348-L2350 VanDerWaalsContact C-N 3.31Å; P2348-L2350 PolarHBondContact O-N 3.31Å; P2348-L2350 VanDerWaalsContact O-N 3.17Å
2349	T	29	Very low	29.8	Very low	114.4 Å²	114.4	121.5 Å²	121.5	70%	0.702	72%	0.722	S	S	*	*			trans	23.4	124.6	130.1	-42.2	0	0	0	0	112.7	Q2347 F2351	Q2347-T2349 PolarHBondContact O-N 2.58Å; Q2347-T2349 VanDerWaalsContact O-N 3.15Å; T2349-F2351 HydrophobicContact CG2-CD2 3.89Å; T2349-F2351 HydrophobicContact CG2-CE2 3.92Å; T2349-F2351 PolarHBondContact O-N 3.12Å; T2349-F2351 VanDerWaalsContact O-N 3.09Å
2350	L	28	Very low	29.8	Very low	146 Å²	146	121.5 Å²	121.5	76%	0.764	72%	0.718	S	S	*	*			trans	-48.1	121.7	168.7	-76.6	127.8	0	0	0	112.6	P2348 T2352	P2348-L2350 VanDerWaalsContact C-N 3.31Å; P2348-L2350 PolarHBondContact O-N 3.31Å; P2348-L2350 VanDerWaalsContact O-N 3.17Å; L2350-T2352 VanDerWaalsContact C-N 3.32Å; L2350-T2352 PolarHBondContact O-N 3.16Å; L2350-T2352 VanDerWaalsContact O-N 3.14Å
2351	F	30.7	Very low	29.9	Very low	198.4 Å²	198.4	121.6 Å²	121.6	87%	0.87	72%	0.72	S	S	*	*			trans	-121.7	125.1	131.6	-102	-81.1	0	0	0	111.6	T2349	T2349-F2351 HydrophobicContact CG2-CD2 3.89Å; T2349-F2351 HydrophobicContact CG2-CE2 3.92Å; T2349-F2351 PolarHBondContact O-N 3.12Å; T2349-F2351 VanDerWaalsContact O-N 3.09Å
2352	T	30	Very low	29.9	Very low	106.4 Å²	106.4	125.2 Å²	125.2	65%	0.653	73%	0.727	S	S	*	*			trans	-87.8	0	169.4	43.4	0	0	0	0	111	L2350 V2354	L2350-T2352 VanDerWaalsContact C-N 3.32Å; L2350-T2352 PolarHBondContact O-N 3.16Å; L2350-T2352 VanDerWaalsContact O-N 3.14Å; T2352-V2354 PolarHBondContact O-N 3.14Å; T2352-V2354 VanDerWaalsContact O-N 3.16Å
2353	P	30.4	Very low	30.1	Very low	104.4 Å²	104.4	124.9 Å²	124.9	68%	0.678	73%	0.732	S	S	*	*				0	144.9	0	28.3	-23.8	0	0	0	112.5	S2355 T2379 V2380	P2353-S2355 PolarHBondContact O-N 3.24Å; P2353-T2379 HydrophobicContact CB-CG2 3.99Å; P2353-T2379 VanDerWaalsContact CG-CB 3.43Å; P2353-T2379 HydrophobicContact CG-CG2 3.54Å; P2353-V2380 CarbonylContact C-O 3.2Å; P2353-V2380 VanDerWaalsContact C-O 3.32Å; P2353-V2380 HydrophobicContact CG-CB 4.24Å; P2353-V2380 HydrophobicContact CG-CG2 4.05Å
2354	V	30	Very low	30.2	Very low	127.8 Å²	127.8	124.9 Å²	124.9	78%	0.775	73%	0.732	S	S	*	*			trans	-112.8	121.3	167.2	-164.8	0	0	0	0	111.5	T2352 A2356 A2381	T2352-V2354 PolarHBondContact O-N 3.14Å; T2352-V2354 VanDerWaalsContact O-N 3.16Å; V2354-A2356 PolarHBondContact O-N 2.85Å; V2354-A2381 HydrophobicContact CG2-CB 4.16Å
2355	S	28.2	Very low	30.3	Very low	101.2 Å²	101.2	127.1 Å²	127.1	71%	0.708	73%	0.734	S	S	*	*			trans	-85.6	130	156.7	-60.1	0	0	0	0	110.7	P2353 T2379	P2353-S2355 PolarHBondContact O-N 3.24Å; S2355-T2379 PolarHBondContact OG-N 3.43Å; S2355-T2379 VanDerWaalsContact OG-N 3.14Å; S2355-T2379 PolarHBondContact OG-O 3.42Å; S2355-T2379 PolarHBondContact OG-OG1 3.24Å
2356	A	29.2	Very low	30.5	Very low	85 Å²	85	128.8 Å²	128.8	70%	0.702	74%	0.741	S	S	*	*			trans	-173.8	120.3	152.3	0	0	0	0	0	111.3	V2354	V2354-A2356 PolarHBondContact O-N 2.85Å
2357	L	30.4	Very low	30.5	Very low	167.2 Å²	167.2	129.9 Å²	129.9	88%	0.875	74%	0.737	S	S	*	*			trans	55	129	149.2	-66.6	165.9	0	0	0	115.5
2358	H	29.2	Very low	30.5	Very low	158.6 Å²	158.6	128.5 Å²	128.5	73%	0.734	74%	0.738	S	S	*	*				160.7	127.8	72.4	-165	-113.3	0	0	0	111.6	T2360	H2358-T2360 WeakPolarHBondContact CE1-CG2 3.48Å; H2358-T2360 WeakPolarHBondContact ND1-CG2 3.45Å; H2358-T2360 WeakPolarHBondContact NE2-CG2 3.34Å
2359	V	30.3	Very low	30.6	Very low	113.8 Å²	113.8	129.3 Å²	129.3	69%	0.69	74%	0.735	S	S	*	*			trans	-166.8	127.1	145.6	171.7	0	0	0	0	111.6
2360	T	29.3	Very low	30.7	Very low	106.8 Å²	106.8	130.3 Å²	130.3	66%	0.655	74%	0.736	S	S	*	*				82.1	113.1	77.9	32.2	0	0	0	0	113.3	H2358	H2358-T2360 WeakPolarHBondContact CE1-CG2 3.48Å; H2358-T2360 WeakPolarHBondContact ND1-CG2 3.45Å; H2358-T2360 WeakPolarHBondContact NE2-CG2 3.34Å
2361	S	34.1	Very low	31	Very low	110.6 Å²	110.6	131.2 Å²	131.2	77%	0.773	74%	0.736	S	S	*	*				176.2	143.3	97.2	41.7	0	0	0	0	110.6
2362	Q	30.4	Very low	30.8	Very low	165.8 Å²	165.8	126.8 Å²	126.8	78%	0.775	73%	0.73	S	S	*	*				175.9	147.7	107.4	-86.6	-101.2	13.5	0	0	110.2
2363	P	34.3	Very low	30.8	Very low	115.4 Å²	115.4	129.7 Å²	129.7	75%	0.749	74%	0.739	S	S	*	*				-129.3	0	114.9	38.6	-20	0	0	0	114.5
2364	S	31.3	Very low	30.6	Very low	99.4 Å²	99.4	131.6 Å²	131.6	70%	0.695	74%	0.742	S	S	*	*				0	136.6	0	-124.6	0	0	0	0	117
2365	E	31.4	Very low	30.6	Very low	172.6 Å²	172.6	130.9 Å²	130.9	81%	0.807	74%	0.738	S	S	*	*				91.4	126.7	127.8	-106.7	172.2	141.5	0	0	116.9
2366	V	31.2	Very low	30.6	Very low	124.2 Å²	124.2	131 Å²	131	75%	0.753	74%	0.735	S	S	*	*				97.7	108.8	125.5	177.9	0	0	0	0	114.7
2367	Q	31.4	Very low	30.7	Very low	159 Å²	159	134.1 Å²	134.1	74%	0.743	74%	0.738	S	S	*	*				55.3	127.7	113.3	-146.6	168.9	21.1	0	0	115.1	S1986 S1987	S1986-Q2367 PolarHBondContact OG-NE2 2.9Å; S1986-Q2367 VanDerWaalsContact OG-NE2 3.17Å; S1987-Q2367 VanDerWaalsContact OG-CD 3.29Å; S1987-Q2367 PolarHBondContact OG-OE1 2.93Å
2368	T	30.7	Very low	30.5	Very low	113.6 Å²	113.6	130.8 Å²	130.8	70%	0.697	73%	0.728	S	S	*	*			trans	70.4	130.2	142.9	29.3	0	0	0	0	115.2	V1988 I1989	V1988-T2368 HydrophobicContact CG2-CG2 4.41Å; I1989-T2368 HydrophobicContact CD1-CG2 4.11Å; I1989-T2368 HydrophobicContact CG1-CG2 4.41Å
2369	I	33.4	Very low	30.5	Very low	124 Å²	124	128.8 Å²	128.8	64%	0.636	73%	0.728	S	S	*	*				179.6	127.7	129	-98.7	163.6	0	0	0	113.4	S1987 V1988 Q2371	S1987-I2369 WeakPolarHBondContact O-CB 3.46Å; V1988-I2369 WeakPolarHBondContact O-CG2 3.18Å; I2369-Q2371 HydrophobicContact CB-CG 4.38Å; I2369-Q2371 HydrophobicContact CG2-CB 3.91Å; I2369-Q2371 VanDerWaalsContact CG2-CD 3.47Å; I2369-Q2371 HydrophobicContact CG2-CG 3.38Å; I2369-Q2371 PolarHBondContact O-N 2.97Å
2370	N	29.8	Very low	30.5	Very low	137 Å²	137	129.3 Å²	129.3	73%	0.733	73%	0.731	S	S	*	*			trans	33.1	0	150.3	-74.9	-26.5	0	0	0	117	I1989	I1989-N2370 PolarHBondContact O-ND2 3.49Å
2371	Q	35.4	Very low	30.7	Very low	163.4 Å²	163.4	128 Å²	128	76%	0.764	73%	0.731	S	S	*	*				0	139.2	0	-78.1	-170.3	46.9	0	0	112.5	I2369 M2373	I2369-Q2371 HydrophobicContact CB-CG 4.38Å; I2369-Q2371 HydrophobicContact CG2-CB 3.91Å; I2369-Q2371 VanDerWaalsContact CG2-CD 3.47Å; I2369-Q2371 HydrophobicContact CG2-CG 3.38Å; I2369-Q2371 PolarHBondContact O-N 2.97Å; Q2371-M2373 PolarHBondContact O-N 2.99Å
2372	S	27.2	Very low	30.5	Very low	106.6 Å²	106.6	127.4 Å²	127.4	75%	0.745	73%	0.727	S	S	*	*			trans	-106.7	139	137.6	-5.9	0	0	0	0	111.8	L2374	S2372-L2374 PolarHBondContact O-N 2.85Å; S2372-L2374 VanDerWaalsContact O-N 3.12Å
2373	M	28.6	Very low	30.6	Very low	168 Å²	168	125 Å²	125	83%	0.828	72%	0.724	S	S	*	*			trans	-112.9	136.7	178.9	-144.9	179.9	-49.2	0	0	110.6	Q2371 V2375	Q2371-M2373 PolarHBondContact O-N 2.99Å; M2373-V2375 PolarHBondContact O-N 3.09Å
2374	L	27	Very low	30.4	Very low	143.4 Å²	143.4	125.7 Å²	125.7	75%	0.751	72%	0.721	S	S	*	*			trans	-114.3	126.6	164.4	-165.1	133.7	0	0	0	110.2	S2372 T2376 A2420	S2372-L2374 PolarHBondContact O-N 2.85Å; S2372-L2374 VanDerWaalsContact O-N 3.12Å; L2374-T2376 VanDerWaalsContact C-N 3.26Å; L2374-T2376 VanDerWaalsContact CD2-OG1 3.26Å; L2374-T2376 WeakPolarHBondContact CD2-OG1 3.41Å; L2374-T2376 PolarHBondContact O-N 3.1Å; L2374-T2376 PolarHBondContact O-OG1 3.28Å; L2374-A2420 HydrophobicContact CD1-CB 3.71Å; L2374-A2420 HydrophobicContact CG-CB 4.48Å
2375	V	30.1	Very low	30.5	Very low	113.8 Å²	113.8	128.3 Å²	128.3	69%	0.69	73%	0.726	S	S	*	*			trans	-107.6	0	171.6	176.3	0	0	0	0	110.9	M2373 I2377	M2373-V2375 PolarHBondContact O-N 3.09Å; V2375-I2377 HydrophobicContact CG1-CG1 4.18Å; V2375-I2377 PolarHBondContact O-N 3.15Å
2376	T	28.6	Very low	30.4	Very low	102.8 Å²	102.8	124.8 Å²	124.8	63%	0.631	72%	0.721	S	S	*	*				0	123.2	0	-58.7	0	0	0	0	110.3	L2374 S2378 H2418	L2374-T2376 VanDerWaalsContact C-N 3.26Å; L2374-T2376 VanDerWaalsContact CD2-OG1 3.26Å; L2374-T2376 WeakPolarHBondContact CD2-OG1 3.41Å; L2374-T2376 PolarHBondContact O-N 3.1Å; L2374-T2376 PolarHBondContact O-OG1 3.28Å; T2376-S2378 PolarHBondContact O-N 3.41Å; T2376-H2418 HydrophobicContact CG2-CB 4.27Å; T2376-H2418 WeakPolarHBondContact CG2-ND1 3.33Å
2377	I	29.8	Very low	30.5	Very low	150.6 Å²	150.6	123.6 Å²	123.6	77%	0.772	72%	0.718	S	S	*	*			trans	-93.8	0	168.3	-53.9	176.6	0	0	0	111.1	V2375	V2375-I2377 HydrophobicContact CG1-CG1 4.18Å; V2375-I2377 PolarHBondContact O-N 3.15Å
2378	S	27.4	Very low	30.6	Very low	96.8 Å²	96.8	120.7 Å²	120.7	68%	0.677	72%	0.715	S	S	*	*				0	135.1	0	-115	0	0	0	0	115.2	T2376	T2376-S2378 PolarHBondContact O-N 3.41Å
2379	T	29.5	Very low	30.7	Very low	116.8 Å²	116.8	122.2 Å²	122.2	72%	0.717	72%	0.719	S	S	*	*			trans	-119.2	119.3	167.4	14.6	0	0	0	0	113.8	P2353 S2355	P2353-T2379 HydrophobicContact CB-CG2 3.99Å; P2353-T2379 VanDerWaalsContact CG-CB 3.43Å; P2353-T2379 HydrophobicContact CG-CG2 3.54Å; S2355-T2379 PolarHBondContact OG-N 3.43Å; S2355-T2379 VanDerWaalsContact OG-N 3.14Å; S2355-T2379 PolarHBondContact OG-O 3.42Å; S2355-T2379 PolarHBondContact OG-OG1 3.24Å
2380	V	30.6	Very low	30.6	Very low	124 Å²	124	121.4 Å²	121.4	75%	0.752	72%	0.724	S	S	*	*			trans	-44.5	132.3	164.8	-98.6	0	0	0	0	113.6	P2353 S2382	P2353-V2380 CarbonylContact C-O 3.2Å; P2353-V2380 VanDerWaalsContact C-O 3.32Å; P2353-V2380 HydrophobicContact CG-CB 4.24Å; P2353-V2380 HydrophobicContact CG-CG2 4.05Å; V2380-S2382 VanDerWaalsContact C-N 3.35Å; V2380-S2382 PolarHBondContact O-N 3.15Å
2381	A	32.1	Very low	30.7	Very low	79.4 Å²	79.4	118.8 Å²	118.8	66%	0.656	72%	0.722	S	S	*	*			trans	-125.4	144.2	139.6	0	0	0	0	0	110.2	Q2347 V2354	Q2347-A2381 VanDerWaalsContact OE1-CA 3.29Å; V2354-A2381 HydrophobicContact CG2-CB 4.16Å
2382	S	30.3	Very low	30.4	Very low	99.2 Å²	99.2	118.2 Å²	118.2	69%	0.694	72%	0.723	S	S	*	*			trans	-147.1	135.5	153.6	-56	0	0	0	0	113.5	Q2347 V2380	Q2347-S2382 PolarHBondContact OE1-OG 3.12Å; V2380-S2382 VanDerWaalsContact C-N 3.35Å; V2380-S2382 PolarHBondContact O-N 3.15Å
2383	T	33	Very low	30.6	Very low	115.4 Å²	115.4	122.6 Å²	122.6	71%	0.708	72%	0.723	S	S	*	*			trans	-160.5	121.3	140.7	51.8	0	0	0	0	115.3	Q2347	Q2347-T2383 HydrophobicContact CB-CG2 3.93Å
2384	N	29.2	Very low	30.8	Very low	130.2 Å²	130.2	118.1 Å²	118.1	70%	0.696	71%	0.713	S	S	*	*			trans	68.6	125.5	133.2	-77.1	-10.3	0	0	0	115.9
2385	L	34.1	Very low	31	Very low	152.8 Å²	152.8	117.3 Å²	117.3	80%	0.8	71%	0.71	S	S	*	*			trans	-167.4	136.1	139.6	-84	172.5	0	0	0	113.3
2386	S	29.6	Very low	31.3	Very low	99.2 Å²	99.2	119.9 Å²	119.9	69%	0.694	71%	0.714	S	S	*	*			trans	-36.6	150.3	157.9	157.4	0	0	0	0	115.7	S2388	S2386-S2388 PolarHBondContact O-OG 3.48Å; S2386-S2388 PolarHBondContact OG-OG 2.77Å
2387	S	33.6	Very low	31.5	Very low	98.6 Å²	98.6	123.1 Å²	123.1	69%	0.69	72%	0.722	S	S	*	*				-162.2	140.8	60.6	42.1	0	0	0	0	110.3
2388	S	32.8	Very low	31.7	Very low	99.6 Å²	99.6	119.2 Å²	119.2	70%	0.697	71%	0.712	S	S	*	*				83.5	120.7	112.8	33.6	0	0	0	0	116	S2386	S2386-S2388 PolarHBondContact O-OG 3.48Å; S2386-S2388 PolarHBondContact OG-OG 2.77Å
2389	D	31.8	Very low	32	Very low	145.6 Å²	145.6	119.7 Å²	119.7	78%	0.779	72%	0.716	S	S	*	*				172.9	133.6	92.6	-113.1	-31.5	0	0	0	114.9
2390	S	32	Very low	32.2	Very low	106.4 Å²	106.4	120.5 Å²	120.5	74%	0.744	72%	0.721	S	S	*	*				88.2	143.4	125.6	1.1	0	0	0	0	118.9
2391	A	32	Very low	32.3	Very low	82.8 Å²	82.8	120 Å²	120	68%	0.684	72%	0.72	S	S	*	*				130.4	137.7	98.7	0	0	0	0	0	115.6
2392	L	29.6	Very low	32.4	Very low	150.2 Å²	150.2	124.3 Å²	124.3	79%	0.786	73%	0.726	S	S	*	*				95.7	130.3	125.4	-72.6	172.2	0	0	0	117	N2643	L2392-N2643 PolarHBondContact O-ND2 2.81Å
2393	R	30	Very low	32.5	Very low	198.2 Å²	198.2	124.2 Å²	124.2	75%	0.748	72%	0.723	S	S	*	*				124.5	147.3	56.9	-120.7	-165.2	162.8	-173.5	-3.3	113.8	D2395 N2643 V2644	R2393-D2395 IonicContact CZ-OD2 2.68Å; R2393-D2395 IonicContact NE-OD2 3.11Å; R2393-D2395 PolarHBondContact NE-OD2 3.4Å; R2393-D2395 IonicContact NH2-OD2 3.37Å; R2393-D2395 PolarHBondContact NH2-OD2 3Å; R2393-N2643 VanDerWaalsContact CB-OD1 3.32Å; R2393-N2643 WeakPolarHBondContact CB-OD1 3.38Å; R2393-N2643 PolarHBondContact N-ND2 2.9Å; R2393-N2643 PolarHBondContact N-OD1 2.84Å; R2393-N2643 PolarHBondContact O-N 3.49Å; R2393-V2644 HydrophobicContact CB-CG2 3.47Å; R2393-V2644 VanDerWaalsContact CB-CG2 3.47Å; R2393-V2644 VanDerWaalsContact CD-CG2 3.43Å; R2393-V2644 HydrophobicContact CG-CG2 3.4Å; R2393-V2644 VanDerWaalsContact CZ-CG2 3.48Å
2394	A	33.1	Very low	32.2	Very low	73.6 Å²	73.6	123.7 Å²	123.7	61%	0.608	72%	0.723	S	S	*	*			trans	172.4	151.7	132.3	0	0	0	0	0	114.5	K2642 N2643 V2644	A2394-K2642 CarbonylContact O-C 3.57Å; A2394-N2643 CarbonylContact O-C 3.52Å; A2394-N2643 VanDerWaalsContact O-C 3.23Å; A2394-N2643 VanDerWaalsContact O-CA 3.27Å; A2394-N2643 WeakPolarHBondContact O-CA 3.1Å; A2394-N2643 PolarHBondContact O-N 3.44Å; A2394-V2644 PolarHBondContact O-N 3Å
2395	D	32.3	Very low	32.2	Very low	128 Å²	128	122 Å²	122	68%	0.684	72%	0.722	S	S	*	*			trans	136.8	146.5	147.7	-73.7	-31.7	0	0	0	112.2	R2393 V2644	R2393-D2395 IonicContact CZ-OD2 2.68Å; R2393-D2395 IonicContact NE-OD2 3.11Å; R2393-D2395 PolarHBondContact NE-OD2 3.4Å; R2393-D2395 IonicContact NH2-OD2 3.37Å; R2393-D2395 PolarHBondContact NH2-OD2 3Å; D2395-V2644 WeakPolarHBondContact OD2-CA 3.49Å; D2395-V2644 PolarHBondContact OD2-N 2.88Å
2396	E	35.5	Very low	32	Very low	166.8 Å²	166.8	119.1 Å²	119.1	78%	0.779	71%	0.714	S	S	*	*			cis	179.8	157.2	44.7	-130.7	-175.8	120.8	0	0	112.6
2397	E	33.9	Very low	32.1	Very low	170.2 Å²	170.2	120.8 Å²	120.8	80%	0.795	72%	0.72	S	S	*	*			trans	80.1	144.1	148.9	-74.3	-99	108	0	0	118.7
2398	A	33.8	Very low	32.1	Very low	68.6 Å²	68.6	121.5 Å²	121.5	57%	0.567	72%	0.722	S	S	*	*			cis	149.7	142.3	14.1	0	0	0	0	0	114.6
2399	S	32.9	Very low	32	Very low	108.8 Å²	108.8	121.9 Å²	121.9	76%	0.761	73%	0.725	S	S	*	*			trans	88.3	111.4	137.4	-55.7	0	0	0	0	119.2
2400	V	33.6	Very low	31.8	Very low	133.6 Å²	133.6	119.7 Å²	119.7	81%	0.81	72%	0.721	S	S	*	*				70.4	139.7	73.8	171.8	0	0	0	0	114.4
2401	P	33.7	Very low	31.8	Very low	112.75 Å²	112.75	121.4 Å²	121.4	73%	0.732	72%	0.721	S	S	*	*			cis	-118.4	171	17.1	33	-8.8	0	0	0	117
2402	E	32.8	Very low	31.7	Very low	170.25 Å²	170.25	123.5 Å²	123.5	80%	0.796	72%	0.721	S	S	*	*			trans	-35.9	165.3	148.1	-103.4	-143	152.5	0	0	116.8
2403	P	33.4	Very low	31.8	Very low	96.5 Å²	96.5	121.6 Å²	121.6	63%	0.627	72%	0.72	S	S	*	*			cis	-131	167.7	-2.4	38.9	-15.8	0	0	0	117.7
2404	C	26.9	Very low	31.9	Very low	104.25 Å²	104.25	120.3 Å²	120.3	70%	0.704	72%	0.722	S	S	*	*			trans	73.7	125.9	137.5	-72.6	0	0	0	0	120.4	V2496 A2497	C2404-V2496 WeakPolarHBondContact O-CA 3.34Å; C2404-A2497 PolarHBondContact O-N 2.95Å
2405	S	29.7	Very low	31.9	Very low	95.75 Å²	95.75	121.1 Å²	121.1	67%	0.67	72%	0.721	S	S	*	*				125.6	141.8	117.8	-165.7	0	0	0	0	116	A2497	S2405-A2497 CarbonylContact O-C 3.57Å
2406	S	29.9	Very low	32	Very low	91.75 Å²	91.75	122.4 Å²	122.4	64%	0.642	72%	0.723	S	S	*	*				87	122.3	116	51.3	0	0	0	0	116.8
2407	V	31.7	Very low	31.7	Very low	133.5 Å²	133.5	122 Å²	122	81%	0.809	72%	0.721	S	S	*	*				61.3	0	115.1	-171.1	0	0	0	0	113.3
2408	P	33	Very low	31.5	Very low	115.25 Å²	115.25	121.1 Å²	121.1	75%	0.748	72%	0.717	S	S	*	*				0	170.9	0	31.6	-7.5	0	0	0	115.3
2409	S	30	Very low	31.4	Very low	107 Å²	107	123.7 Å²	123.7	75%	0.748	73%	0.726	S	S	*	*			trans	-86.9	136.4	163.8	42.6	0	0	0	0	116.5
2410	S	28.7	Very low	31.2	Very low	100 Å²	100	122.5 Å²	122.5	70%	0.699	72%	0.722	S	S	*	*				133.3	123.7	114.4	68.4	0	0	0	0	115.3
2411	L	30.4	Very low	31	Very low	142 Å²	142	121.6 Å²	121.6	74%	0.743	72%	0.717	S	S	*	*				110.1	123.3	125.7	-78.1	162.5	0	0	0	117.4
2412	N	30	Very low	30.9	Very low	126.5 Å²	126.5	123.2 Å²	123.2	68%	0.676	72%	0.718	S	S	*	*			trans	82.5	0	145.9	-68.7	-10.4	0	0	0	117.7	S1992 S1993 E2414	S1992-N2412 VanDerWaalsContact C-ND2 3.33Å; S1992-N2412 PolarHBondContact O-ND2 3.05Å; S1992-N2412 VanDerWaalsContact O-ND2 3.07Å; S1993-N2412 PolarHBondContact O-ND2 3.47Å; N2412-E2414 PolarHBondContact O-N 3.5Å
2413	S	31.7	Very low	30.9	Very low	110 Å²	110	121.8 Å²	121.8	77%	0.769	72%	0.715	S	S	*	*				0	126	0	53.3	0	0	0	0	112.8
2414	E	33.6	Very low	30.8	Very low	170.75 Å²	170.75	122.5 Å²	122.5	80%	0.798	72%	0.719	S	S	*	*			trans	-42.1	0	158.5	-122.6	-156	105.2	0	0	113.2	N2412 Q2416	N2412-E2414 PolarHBondContact O-N 3.5Å; E2414-Q2416 PolarHBondContact O-N 3.1Å; E2414-Q2416 VanDerWaalsContact O-N 3.07Å
2415	P	33.5	Very low	30.9	Very low	90 Å²	90	122.3 Å²	122.3	58%	0.584	72%	0.715	S	S	*	*				0	0	0	31.9	-15	0	0	0	114.6	H2417	P2415-H2417 VanDerWaalsContact C-N 3.35Å; P2415-H2417 PolarHBondContact O-N 3.39Å
2416	Q	32.6	Very low	31	Very low	157 Å²	157	123.5 Å²	123.5	73%	0.734	72%	0.719	S	S	*	*				0	142	0	-83.1	179.8	8	0	0	116.2	E2414 H2418	E2414-Q2416 PolarHBondContact O-N 3.1Å; E2414-Q2416 VanDerWaalsContact O-N 3.07Å; Q2416-H2418 PolarHBondContact O-N 2.84Å
2417	H	31	Very low	30.9	Very low	157.75 Å²	157.75	125.2 Å²	125.2	73%	0.73	73%	0.725	S	S	*	*			trans	-99.2	0	171	-82.5	-64.7	0	0	0	114.8	P2415	P2415-H2417 VanDerWaalsContact C-N 3.35Å; P2415-H2417 PolarHBondContact O-N 3.39Å
2418	H	29.3	Very low	30.7	Very low	151.25 Å²	151.25	124.4 Å²	124.4	70%	0.7	72%	0.721	S	S	*	*				0	126.2	0	-52.2	-71.7	0	0	0	114.1	T2376 Q2416	T2376-H2418 HydrophobicContact CG2-CB 4.27Å; T2376-H2418 WeakPolarHBondContact CG2-ND1 3.33Å; Q2416-H2418 PolarHBondContact O-N 2.84Å
2419	T	31.1	Very low	30.5	Very low	123 Å²	123	124.1 Å²	124.1	76%	0.755	72%	0.721	S	S	*	*			trans	-127.6	0	132.7	-64.6	0	0	0	0	110.2	V2421	T2419-V2421 HydrophobicContact CG2-CG2 4.14Å; T2419-V2421 PolarHBondContact O-N 2.96Å
2420	A	27.8	Very low	30.5	Very low	83 Å²	83	128 Å²	128	69%	0.686	73%	0.725	S	S	*	*				0	129.2	0	0	0	0	0	0	111.7	L2374 I2422	L2374-A2420 HydrophobicContact CD1-CB 3.71Å; L2374-A2420 HydrophobicContact CG-CB 4.48Å; A2420-I2422 PolarHBondContact O-N 2.96Å
2421	V	31.2	Very low	30.8	Very low	115 Å²	115	129.1 Å²	129.1	70%	0.697	73%	0.73	S	S	*	*			trans	-123.1	0	163.9	174.6	0	0	0	0	110.8	T2419 L2423	T2419-V2421 HydrophobicContact CG2-CG2 4.14Å; T2419-V2421 PolarHBondContact O-N 2.96Å; V2421-L2423 HydrophobicContact CG1-CD2 4.09Å; V2421-L2423 HydrophobicContact CG1-CG 4.11Å; V2421-L2423 PolarHBondContact O-N 3.29Å
2422	I	29.9	Very low	30.8	Very low	146.75 Å²	146.75	125.7 Å²	125.7	75%	0.753	73%	0.729	S	S	*	*				0	113.1	0	-55.8	175	0	0	0	114	A2420 P2424	A2420-I2422 PolarHBondContact O-N 2.96Å; I2422-P2424 WeakPolarHBondContact O-CD 3.25Å
2423	L	33.3	Very low	30.9	Very low	139.75 Å²	139.75	124.6 Å²	124.6	73%	0.732	73%	0.731	S	S	*	*			trans	-61.4	0	162.8	-70.2	143.2	0	0	0	113	V2421 T2425	V2421-L2423 HydrophobicContact CG1-CD2 4.09Å; V2421-L2423 HydrophobicContact CG1-CG 4.11Å; V2421-L2423 PolarHBondContact O-N 3.29Å; L2423-T2425 HydrophobicContact CD2-CG2 4.18Å; L2423-T2425 PolarHBondContact O-N 2.67Å
2424	P	30.6	Very low	30.8	Very low	112.25 Å²	112.25	124 Å²	124	73%	0.729	73%	0.727	S	S	*	*				0	162.3	0	32.1	-25	0	0	0	113.8	I2422 T2426	I2422-P2424 WeakPolarHBondContact O-CD 3.25Å; P2424-T2426 PolarHBondContact O-N 3.17Å
2425	T	30.2	Very low	30.6	Very low	101 Å²	101	125 Å²	125	62%	0.62	73%	0.729	S	S	*	*			trans	-72.6	135.3	174.3	45.1	0	0	0	0	115	L2043 A2045 L2423	L2043-T2425 HydrophobicContact CD1-CG2 4.36Å; A2045-T2425 HydrophobicContact CB-CG2 3.67Å; L2423-T2425 HydrophobicContact CD2-CG2 4.18Å; L2423-T2425 PolarHBondContact O-N 2.67Å
2426	T	30.8	Very low	30.5	Very low	121 Å²	121	126.8 Å²	126.8	74%	0.742	74%	0.738	S	S	*	*			trans	114.9	125.4	149.6	54.4	0	0	0	0	114	P2424	P2424-T2426 PolarHBondContact O-N 3.17Å
2427	T	27.8	Very low	30.2	Very low	126 Å²	126	124.9 Å²	124.9	77%	0.773	74%	0.737	S	S	*	*				-71.9	131.5	90.4	42.7	0	0	0	0	112.3
2428	V	28.9	Very low	30.3	Very low	118 Å²	118	123.5 Å²	123.5	72%	0.715	74%	0.739	S	S	*	*			trans	-15.6	120.7	157.5	-167.4	0	0	0	0	113.4	F2430	V2428-F2430 HydrophobicContact CB-CE2 4.12Å; V2428-F2430 HydrophobicContact CG1-CD2 4.24Å; V2428-F2430 HydrophobicContact CG1-CE2 3.97Å; V2428-F2430 HydrophobicContact CG1-CZ 4.13Å
2429	S	27.3	Very low	30.3	Very low	109 Å²	109	121.4 Å²	121.4	76%	0.762	74%	0.742	S	S	*	*			trans	-122	135.7	152.1	-70.4	0	0	0	0	112.2
2430	F	30.6	Very low	30.2	Very low	187 Å²	187	120.5 Å²	120.5	82%	0.82	74%	0.741	S	S	*	*			trans	-77.6	153.7	157.9	-75	-82.1	0	0	0	112.9	V2428 G2432	V2428-F2430 HydrophobicContact CB-CE2 4.12Å; V2428-F2430 HydrophobicContact CG1-CD2 4.24Å; V2428-F2430 HydrophobicContact CG1-CE2 3.97Å; V2428-F2430 HydrophobicContact CG1-CZ 4.13Å; F2430-G2432 PolarHBondContact O-N 3.45Å; F2430-G2432 VanDerWaalsContact O-N 3.1Å
2431	P	34.6	Very low	30.4	Very low	124 Å²	124	122.9 Å²	122.9	81%	0.805	75%	0.746	S	S	*	*				-99.6	0	113.5	28.2	-16.3	0	0	0	113.8
2432	G	31	Very low	30.4	Very low	69.75 Å²	69.75	124.9 Å²	124.9	72%	0.719	75%	0.75	S	S	*	*				0	145.6	0	0	0	0	0	0	112.9	F2430	F2430-G2432 PolarHBondContact O-N 3.45Å; F2430-G2432 VanDerWaalsContact O-N 3.1Å
2433	S	32.3	Very low	30.7	Very low	104.75 Å²	104.75	122.5 Å²	122.5	73%	0.733	74%	0.744	S	S	*	*			cis	166.8	125.5	35	59.9	0	0	0	0	112.2
2434	S	30.3	Very low	30.6	Very low	96.75 Å²	96.75	122.7 Å²	122.7	68%	0.677	75%	0.746	S	S	*	*			trans	107.9	111.1	131.9	56	0	0	0	0	117.2
2435	F	28.4	Very low	30.7	Very low	192.5 Å²	192.5	122.1 Å²	122.1	84%	0.844	74%	0.744	S	S	*	*				30.8	0	128	-49.7	-68.6	0	0	0	115.4
2436	V	30.9	Very low	30.7	Very low	126.75 Å²	126.75	122 Å²	122	77%	0.768	75%	0.748	S	S	*	*				0	105.7	0	-178.6	0	0	0	0	112	V2438	V2436-V2438 HydrophobicContact CG1-CG2 4.27Å
2437	T	27.7	Very low	30.8	Very low	118.25 Å²	118.25	121.6 Å²	121.6	73%	0.725	75%	0.745	S	S	*	*				52.5	0	113.5	-47.3	0	0	0	0	113.6
2438	V	31.9	Very low	31	Very low	127.25 Å²	127.25	121.8 Å²	121.8	77%	0.771	74%	0.742	S	S	*	*				0	126	0	-155.8	0	0	0	0	111.1	V2436	V2436-V2438 HydrophobicContact CG1-CG2 4.27Å
2439	S	29.8	Very low	31.1	Very low	107.75 Å²	107.75	122.6 Å²	122.6	75%	0.753	75%	0.747	S	S	*	*				120.8	142.4	119.2	-60.2	0	0	0	0	113.3
2440	S	28.5	Very low	31.3	Very low	104 Å²	104	123.1 Å²	123.1	73%	0.727	75%	0.745	S	S	*	*				173.7	139.7	58.5	159	0	0	0	0	112.2
2441	V	31.5	Very low	31.5	Very low	133.25 Å²	133.25	118.8 Å²	118.8	81%	0.808	74%	0.736	S	S	*	*				130.6	123	124.4	160.5	0	0	0	0	113.8
2442	M	31.7	Very low	31.4	Very low	156.5 Å²	156.5	118.4 Å²	118.4	77%	0.771	74%	0.736	S	S	*	*			trans	-71.1	175.8	145.9	-128	152	163.7	0	0	111	D2230	D2230-M2442 HydrophobicContact CB-CE 4.46Å
2443	P	36.6	Very low	31.4	Very low	96.25 Å²	96.25	120 Å²	120	63%	0.625	74%	0.736	S	S	*	*			cis	-140.6	171.5	-34.7	39.9	-16.3	0	0	0	117
2444	N	31.5	Very low	31.4	Very low	144.5 Å²	144.5	119.8 Å²	119.8	77%	0.773	73%	0.734	S	S	*	*			trans	52.6	140.5	148.9	-63.5	-2.4	0	0	0	116.4
2445	S	31.4	Very low	31.4	Very low	99.75 Å²	99.75	120.6 Å²	120.6	70%	0.698	74%	0.735	S	S	*	*			cis	177.5	140.6	25.2	65	0	0	0	0	113.4
2446	S	31.8	Very low	31.5	Very low	98.75 Å²	98.75	117.3 Å²	117.3	69%	0.691	73%	0.725	S	S	*	*			trans	42.6	132.4	136.8	14.7	0	0	0	0	117.2
2447	T	33.1	Very low	31.4	Very low	113.5 Å²	113.5	119.7 Å²	119.7	70%	0.696	73%	0.725	S	S	*	*				162.8	140.2	62.7	20.7	0	0	0	0	111.9
2448	N	30.7	Very low	31.6	Very low	129.75 Å²	129.75	120.6 Å²	120.6	69%	0.694	73%	0.725	S	S	*	*				98.4	113.4	126.9	-76.8	-2.6	0	0	0	118.7
2449	V	32.2	Very low	31.5	Very low	135 Å²	135	122.3 Å²	122.3	82%	0.818	73%	0.725	S	S	*	*				117.1	0	126.9	-134.5	0	0	0	0	116.6
2450	T	30	Very low	31.5	Very low	119.75 Å²	119.75	122.2 Å²	122.2	74%	0.735	72%	0.724	S	S	*	*				0	0	0	-10.6	0	0	0	0	114.7
2451	P	35.9	Very low	31.6	Very low	96.25 Å²	96.25	122.3 Å²	122.3	63%	0.625	73%	0.725	S	S	*	*				0	169.5	0	36.7	-17	0	0	0	113.3	N2272	N2272-P2451 HydrophobicContact CB-CB 3.66Å; N2272-P2451 HydrophobicContact CB-CG 4.21Å; N2272-P2451 WeakPolarHBondContact ND2-CB 3.3Å
2452	S	31.3	Very low	31.7	Very low	115.75 Å²	115.75	121.8 Å²	121.8	81%	0.809	72%	0.724	S	S	*	*			trans	-161.3	0	134	-74.7	0	0	0	0	112.2
2453	S	31.5	Very low	31.7	Very low	103.5 Å²	103.5	121.5 Å²	121.5	72%	0.724	73%	0.725	S	S	*	*				0	125.1	0	171.6	0	0	0	0	116.1
2454	S	32	Very low	31.2	Very low	99 Å²	99	122.3 Å²	122.3	69%	0.692	73%	0.733	S	S	*	*				177.7	135.3	99.8	39.7	0	0	0	0	112	I2336	I2336-S2454 VanDerWaalsContact CG2-O 3.24Å; I2336-S2454 WeakPolarHBondContact CG2-O 3.42Å; I2336-S2454 PolarHBondContact O-N 2.84Å
2455	V	31.2	Very low	31.1	Very low	114.5 Å²	114.5	122.5 Å²	122.5	69%	0.694	73%	0.732	S	S	*	*				31.8	0	111.8	-173.8	0	0	0	0	114.6	I2271	I2271-V2455 HydrophobicContact CD1-CB 3.87Å; I2271-V2455 HydrophobicContact CD1-CG1 4.4Å; I2271-V2455 HydrophobicContact CD1-CG2 3.08Å; I2271-V2455 HydrophobicContact CG1-CG2 4.22Å
2456	I	30.9	Very low	30.9	Very low	123.25 Å²	123.25	122.7 Å²	122.7	63%	0.632	73%	0.729	S	S	*	*				0	0	0	-69.4	161.4	0	0	0	112.6	P2269 A2270 I2271 I2336 L2458	P2269-I2456 HydrophobicContact CB-CB 1.83Å; P2269-I2456 HydrophobicContact CB-CD1 1.58Å; P2269-I2456 CovalentContact CB-CG1 0.98Å; P2269-I2456 HydrophobicContact CB-CG1 0.98Å; P2269-I2456 HydrophobicContact CB-CG2 2.2Å; P2269-I2456 VanDerWaalsContact CG-C 3.43Å; P2269-I2456 CovalentContact CG-CB 1.31Å; P2269-I2456 HydrophobicContact CG-CB 1.31Å; P2269-I2456 HydrophobicContact CG-CD1 2.27Å; P2269-I2456 HydrophobicContact CG-CG1 1.98Å; P2269-I2456 CovalentContact CG-CG2 0.95Å; P2269-I2456 HydrophobicContact CG-CG2 0.95Å; P2269-I2456 VanDerWaalsContact N-CG1 3.3Å; P2269-I2456 WeakPolarHBondContact O-CD1 2.91Å; A2270-I2456 WeakPolarHBondContact O-CD1 3.23Å; I2271-I2456 HydrophobicContact CG1-CD1 4.48Å; I2336-I2456 VanDerWaalsContact CD1-O 3.31Å; I2336-I2456 WeakPolarHBondContact CD1-O 3.28Å; I2456-L2458 HydrophobicContact CG2-CD1 4.28Å
2457	K	28.5	Very low	30.7	Very low	177.25 Å²	177.25	123.2 Å²	123.2	77%	0.771	73%	0.732	S	S	*	*				0	129.1	0	-119.8	-179.4	179.3	-174.1	0	111.1	I2336 E2459	I2336-K2457 HydrophobicContact CD1-CB 3.85Å; I2336-K2457 VanDerWaalsContact CD1-N 3.28Å; K2457-E2459 WeakPolarHBondContact CE-OE1 3.27Å; K2457-E2459 IonicContact NZ-OE1 3.17Å; K2457-E2459 PolarHBondContact NZ-OE1 3.05Å; K2457-E2459 IonicContact NZ-OE2 2.68Å
2458	L	31.7	Very low	30.5	Very low	136.25 Å²	136.25	122.7 Å²	122.7	71%	0.713	73%	0.733	S	S	*	*			trans	-127.8	143.4	132.1	-99.4	131.9	0	0	0	111.2	S2267 H2268 I2456	S2267-L2458 VanDerWaalsContact CA-CG 3.45Å; S2267-L2458 CovalentContact CB-CD1 1.34Å; S2267-L2458 WeakPolarHBondContact O-CD1 3.11Å; S2267-L2458 WeakPolarHBondContact OG-CB 3.14Å; S2267-L2458 CovalentContact OG-CD1 1.79Å; S2267-L2458 WeakPolarHBondContact OG-CD1 3.44Å; S2267-L2458 WeakPolarHBondContact OG-CD2 3.2Å; S2267-L2458 WeakPolarHBondContact OG-CG 3.33Å; H2268-L2458 WeakPolarHBondContact O-CD1 3.07Å; I2456-L2458 HydrophobicContact CG2-CD1 4.28Å
2459	E	29.3	Very low	30.3	Very low	164 Å²	164	121.6 Å²	121.6	77%	0.766	74%	0.735	S	S	*	*			trans	-101.9	130.7	-176.4	-93.7	168	155.1	0	0	113	K2457	K2457-E2459 WeakPolarHBondContact CE-OE1 3.27Å; K2457-E2459 IonicContact NZ-OE1 3.17Å; K2457-E2459 PolarHBondContact NZ-OE1 3.05Å; K2457-E2459 IonicContact NZ-OE2 2.68Å
2460	S	30.8	Very low	30.2	Very low	104.75 Å²	104.75	121.1 Å²	121.1	73%	0.733	73%	0.733	S	S	*	*			trans	-87.8	116.6	170	43.9	0	0	0	0	114.9	P2462	S2460-P2462 WeakPolarHBondContact O-CD 3.38Å
2461	S	29.4	Very low	30.2	Very low	107.75 Å²	107.75	121.7 Å²	121.7	75%	0.753	74%	0.736	S	S	*	*			trans	-63.6	135.8	143.2	-67.7	0	0	0	0	114	L2463	S2461-L2463 PolarHBondContact O-N 2.83Å
2462	P	35.2	Very low	29.9	Very low	121 Å²	121	121.4 Å²	121.4	79%	0.786	74%	0.742	S	S	*	*			trans	-105.4	135.5	169.4	26.8	-12.4	0	0	0	111.4	S2460 S2464	S2460-P2462 WeakPolarHBondContact O-CD 3.38Å; P2462-S2464 PolarHBondContact O-N 3.37Å
2463	L	31.1	Very low	29.9	Very low	152 Å²	152	121.2 Å²	121.2	80%	0.796	74%	0.741	S	S	*	*			trans	-8	117.9	154.6	-84.2	153	0	0	0	113.7	S2461 I2465	S2461-L2463 PolarHBondContact O-N 2.83Å; L2463-I2465 VanDerWaalsContact C-N 3.32Å; L2463-I2465 HydrophobicContact CB-CD1 4.42Å; L2463-I2465 HydrophobicContact CB-CG1 4.36Å; L2463-I2465 HydrophobicContact CD2-CD1 2.94Å; L2463-I2465 HydrophobicContact CD2-CG1 3.38Å; L2463-I2465 HydrophobicContact CG-CD1 4.28Å; L2463-I2465 HydrophobicContact CG-CG1 4.47Å; L2463-I2465 PolarHBondContact O-N 3.09Å
2464	S	26.6	Very low	29.9	Very low	112.5 Å²	112.5	122 Å²	122	79%	0.787	75%	0.746	S	S	*	*			trans	-39.9	120.2	147.9	-25.8	0	0	0	0	113.7	P2462 T2466	P2462-S2464 PolarHBondContact O-N 3.37Å; S2464-T2466 VanDerWaalsContact C-N 3.3Å; S2464-T2466 PolarHBondContact O-N 3.01Å
2465	I	29.4	Very low	29.9	Very low	147.25 Å²	147.25	120.7 Å²	120.7	76%	0.755	75%	0.748	S	S	*	*			trans	-110.5	104.4	165.7	-58	176.3	0	0	0	110.8	L2463 C2467	L2463-I2465 VanDerWaalsContact C-N 3.32Å; L2463-I2465 HydrophobicContact CB-CD1 4.42Å; L2463-I2465 HydrophobicContact CB-CG1 4.36Å; L2463-I2465 HydrophobicContact CD2-CD1 2.94Å; L2463-I2465 HydrophobicContact CD2-CG1 3.38Å; L2463-I2465 HydrophobicContact CG-CD1 4.28Å; L2463-I2465 HydrophobicContact CG-CG1 4.47Å; L2463-I2465 PolarHBondContact O-N 3.09Å; I2465-C2467 PolarHBondContact O-N 2.93Å; I2465-C2467 PolarHBondContact O-SG 2.94Å; I2465-C2467 VanDerWaalsContact O-SG 3.4Å
2466	T	26.8	Very low	29.9	Very low	105.75 Å²	105.75	124.2 Å²	124.2	65%	0.649	76%	0.757	S	S	*	*			trans	-31.9	122.9	148.1	-40.5	0	0	0	0	113.4	S2464 S2468	S2464-T2466 VanDerWaalsContact C-N 3.3Å; S2464-T2466 PolarHBondContact O-N 3.01Å; T2466-S2468 PolarHBondContact O-N 2.9Å
2467	C	26.5	Very low	29.9	Very low	109.25 Å²	109.25	126.2 Å²	126.2	74%	0.738	76%	0.763	S	S	*	*			trans	43.8	0	154.6	-58.7	0	0	0	0	114.8	I2465 S2469	I2465-C2467 PolarHBondContact O-N 2.93Å; I2465-C2467 PolarHBondContact O-SG 2.94Å; I2465-C2467 VanDerWaalsContact O-SG 3.4Å; C2467-S2469 PolarHBondContact O-N 3.36Å
2468	S	28.5	Very low	30	Very low	102.25 Å²	102.25	123.5 Å²	123.5	72%	0.715	76%	0.757	S	S	*	*				0	0	0	-57.8	0	0	0	0	113.1	T2466 T2470	T2466-S2468 PolarHBondContact O-N 2.9Å; S2468-T2470 PolarHBondContact O-N 3.32Å
2469	S	28.1	Very low	30	Very low	107.5 Å²	107.5	124.3 Å²	124.3	75%	0.752	76%	0.757	S	S	*	*				0	116.4	0	84.9	0	0	0	0	113	C2467 T2471	C2467-S2469 PolarHBondContact O-N 3.36Å; S2469-T2471 PolarHBondContact O-N 3.12Å; S2469-T2471 PolarHBondContact O-OG1 3.27Å
2470	T	28.9	Very low	30	Very low	123.75 Å²	123.75	122.5 Å²	122.5	76%	0.759	75%	0.753	S	S	*	*				-155.2	124.9	110.6	-9.3	0	0	0	0	110.3	S2468 A2472	S2468-T2470 PolarHBondContact O-N 3.32Å; T2470-A2472 PolarHBondContact O-N 3.02Å
2471	T	30.4	Very low	30	Very low	132.5 Å²	132.5	124.9 Å²	124.9	81%	0.813	76%	0.756	S	S	*	*			trans	-80.3	124.9	160	40.2	0	0	0	0	111.8	S2469 S2473	S2469-T2471 PolarHBondContact O-N 3.12Å; S2469-T2471 PolarHBondContact O-OG1 3.27Å; T2471-S2473 PolarHBondContact O-N 2.77Å; T2471-S2473 PolarHBondContact O-OG 3.07Å
2472	A	30.6	Very low	30	Very low	89.75 Å²	89.75	125.1 Å²	125.1	74%	0.742	75%	0.753	S	S	*	*			trans	-166.9	114.8	150.2	0	0	0	0	0	113.7	T2470 S2474	T2470-A2472 PolarHBondContact O-N 3.02Å; A2472-S2474 PolarHBondContact O-N 2.6Å
2473	S	31.4	Very low	29.9	Very low	111.75 Å²	111.75	124.4 Å²	124.4	78%	0.781	75%	0.751	S	S	*	*			trans	128.3	115.6	148.6	67.9	0	0	0	0	112.6	T2471 G2475	T2471-S2473 PolarHBondContact O-N 2.77Å; T2471-S2473 PolarHBondContact O-OG 3.07Å; S2473-G2475 PolarHBondContact O-N 3.23Å; S2473-G2475 VanDerWaalsContact O-N 3.11Å
2474	S	30.2	Very low	30	Very low	120.5 Å²	120.5	125.3 Å²	125.3	84%	0.843	75%	0.751	S	S	*	*				-155.9	123.2	124.3	48.3	0	0	0	0	111.7	A2472	A2472-S2474 PolarHBondContact O-N 2.6Å
2475	G	32.1	Very low	30.4	Very low	70.5 Å²	70.5	124.8 Å²	124.8	73%	0.727	75%	0.745	S	S	*	*			trans	163.5	86.5	134.8	0	0	0	0	0	112.3	S2473 Q2477	S2473-G2475 PolarHBondContact O-N 3.23Å; S2473-G2475 VanDerWaalsContact O-N 3.11Å; G2475-Q2477 PolarHBondContact O-N 2.87Å
2476	Q	32	Very low	30.6	Very low	188.5 Å²	188.5	124.7 Å²	124.7	88%	0.881	75%	0.745	S	S	*	*			trans	-18	0	157.1	-71.9	-173.6	-20.7	0	0	114.3
2477	Q	31.2	Very low	30.8	Very low	165 Å²	165	125 Å²	125	77%	0.771	75%	0.747	S	S	*	*				0	143	0	-133.7	-174.2	-6.3	0	0	111.4	G2475	G2475-Q2477 PolarHBondContact O-N 2.87Å
2478	L	30.5	Very low	31.2	Very low	121.5 Å²	121.5	125.1 Å²	125.1	64%	0.636	75%	0.745	S	S	*	*			trans	117.6	0	146.6	-79.5	169.4	0	0	0	112.5
2479	Q	31.6	Very low	31.4	Very low	151.5 Å²	151.5	127.5 Å²	127.5	71%	0.708	74%	0.744	S	S	*	*				0	138.4	0	-81.5	169.5	15.2	0	0	113.5	D2749	Q2479-D2749 PolarHBondContact NE2-OD1 3.29Å
2480	N	28.7	Very low	31.6	Very low	128 Å²	128	128.3 Å²	128.3	68%	0.684	74%	0.74	S	S	*	*				-162.7	0	110	-99.9	-18.9	0	0	0	112.2
2481	L	30.9	Very low	31.9	Very low	154.25 Å²	154.25	127.6 Å²	127.6	81%	0.808	74%	0.736	S	S	*	*				0	0	0	-80.8	163.2	0	0	0	113.1
2482	T	29.5	Very low	32	Very low	112 Å²	112	127.3 Å²	127.3	69%	0.687	73%	0.734	S	S	*	*				0	0	0	-52.1	0	0	0	0	113.7
2483	S	33.4	Very low	32.2	Very low	105.75 Å²	105.75	128 Å²	128	74%	0.74	73%	0.731	S	S	*	*				0	0	0	34.2	0	0	0	0	113.9
2484	H	32.3	Very low	32.1	Very low	172.25 Å²	172.25	130.7 Å²	130.7	80%	0.797	74%	0.735	S	S	*	*				0	155.6	0	-62.7	-60	0	0	0	114.3
2485	P	35.8	Very low	32	Very low	101.75 Å²	101.75	129.1 Å²	129.1	66%	0.661	73%	0.729	S	S	*	*			cis	-140.3	0	-43.3	38.4	-16.2	0	0	0	112.5
2486	L	32.1	Very low	32	Very low	145.25 Å²	145.25	131.5 Å²	131.5	76%	0.76	73%	0.729	S	S	*	*				0	0	0	-89.2	80.5	0	0	0	114.8
2487	T	32.9	Very low	31.9	Very low	111 Å²	111	126.7 Å²	126.7	68%	0.681	72%	0.722	S	S	*	*				0	0	0	39.1	0	0	0	0	114.3
2488	T	34.7	Very low	31.8	Very low	112.5 Å²	112.5	123.3 Å²	123.3	69%	0.69	72%	0.722	S	S	*	*				0	135.4	0	20.4	0	0	0	0	113.6
2489	E	33.1	Very low	31.8	Very low	152.5 Å²	152.5	122.4 Å²	122.4	71%	0.713	73%	0.726	S	S	*	*			cis	149.9	143.4	43.3	-111.8	-172.5	-163.9	0	0	111.5
2490	N	32.1	Very low	31.8	Very low	123.75 Å²	123.75	122.2 Å²	122.2	66%	0.662	73%	0.729	S	S	*	*				104	125.7	112.2	-83.1	-12.5	0	0	0	116.3
2491	T	33.7	Very low	32	Very low	109 Å²	109	121.7 Å²	121.7	67%	0.669	73%	0.726	S	S	*	*				97	106.6	104.3	-48.9	0	0	0	0	117
2492	T	32.4	Very low	32	Very low	126.75 Å²	126.75	120.4 Å²	120.4	78%	0.778	72%	0.72	S	S	*	*			trans	68.5	0	137.3	65.6	0	0	0	0	117.6
2493	P	35.6	Very low	32.3	Very low	105 Å²	105	121.2 Å²	121.2	68%	0.682	73%	0.725	S	S	*	*				0	0	0	39.8	-20.5	0	0	0	115.1
2494	I	29.7	Very low	32.2	Very low	166.5 Å²	166.5	120.2 Å²	120.2	85%	0.854	72%	0.723	S	S	*	*				0	0	0	-64.9	168	0	0	0	113.4
2495	A	28.7	Very low	32.5	Very low	87 Å²	87	117.2 Å²	117.2	72%	0.719	72%	0.719	S	S	*	*				0	0	0	0	0	0	0	0	114.1
2496	V	30.8	Very low	32.4	Very low	122 Å²	122	118.3 Å²	118.3	74%	0.739	72%	0.724	S	S	*	*				0	116	0	177.5	0	0	0	0	111	C2404	C2404-V2496 WeakPolarHBondContact O-CA 3.34Å
2497	A	30.6	Very low	32.4	Very low	86.5 Å²	86.5	115.9 Å²	115.9	72%	0.715	72%	0.719	S	S	*	*				83.1	128.2	125.1	0	0	0	0	0	114.7	C2404 S2405	C2404-A2497 PolarHBondContact O-N 2.95Å; S2405-A2497 CarbonylContact O-C 3.57Å
2498	A	28.7	Very low	32.4	Very low	94.75 Å²	94.75	118.9 Å²	118.9	78%	0.783	73%	0.725	S	S	*	*				148.7	137.4	125.6	0	0	0	0	0	112.9
2499	S	30.2	Very low	32.2	Very low	103.25 Å²	103.25	117.7 Å²	117.7	72%	0.722	73%	0.727	S	S	*	*			trans	133.1	115.7	140.6	-169	0	0	0	0	111
2500	L	32.3	Very low	31.9	Very low	145.5 Å²	145.5	115.4 Å²	115.4	76%	0.762	73%	0.727	S	S	*	*				66	123.4	98.2	-127.3	68.7	0	0	0	113.6
2501	D	32.1	Very low	31.9	Very low	118.5 Å²	118.5	117.3 Å²	117.3	63%	0.634	74%	0.736	S	S	*	*				-176.6	146.1	69.1	-126.7	-11.4	0	0	0	112.9
2502	N	32	Very low	31.7	Very low	127.25 Å²	127.25	116.6 Å²	116.6	68%	0.68	74%	0.735	S	S	*	*			trans	64.6	119.3	138.2	-74.9	-36.4	0	0	0	119.8
2503	T	34	Very low	31.5	Very low	129 Å²	129	115.8 Å²	115.8	79%	0.791	74%	0.735	S	S	*	*				151	0	94.9	-47.2	0	0	0	0	114.1
2504	A	32.7	Very low	31.2	Very low	84.75 Å²	84.75	116.5 Å²	116.5	70%	0.7	74%	0.737	S	S	*	*				0	161.5	0	0	0	0	0	0	116.1
2505	P	38.5	Very low	31.2	Very low	107.75 Å²	107.75	113.8 Å²	113.8	70%	0.7	73%	0.733	S	S	*	*			cis	-144	159	27.7	36.9	-20.5	0	0	0	114.5
2506	T	33.4	Very low	31.4	Very low	125.5 Å²	125.5	118.5 Å²	118.5	77%	0.77	74%	0.74	S	S	*	*			trans	115.2	123.6	156	22.9	0	0	0	0	114.3
2507	S	32.7	Very low	31.3	Very low	94.5 Å²	94.5	118 Å²	118	66%	0.661	74%	0.742	S	S	*	*				-171.6	125.4	51.2	49.4	0	0	0	0	111.2
2508	H	32.8	Very low	31.4	Very low	173.75 Å²	173.75	116.7 Å²	116.7	80%	0.804	74%	0.737	S	S	*	*			trans	-159.1	116.8	134.9	-72.3	-74.2	0	0	0	111.5	C2510	H2508-C2510 PolarHBondContact O-N 3.36Å
2509	A	30.2	Very low	31.6	Very low	87.25 Å²	87.25	118.6 Å²	118.6	72%	0.721	73%	0.734	S	S	*	*				-107.7	117.2	56.1	0	0	0	0	0	110.1	L2511	A2509-L2511 PolarHBondContact O-N 3.16Å; A2509-L2511 VanDerWaalsContact O-N 3.17Å
2510	C	27.5	Very low	32	Very low	105.75 Å²	105.75	118.8 Å²	118.8	72%	0.715	74%	0.735	S	S	*	*				26.2	121.4	126.9	-64.9	0	0	0	0	112.4	H2508 S2512	H2508-C2510 PolarHBondContact O-N 3.36Å; C2510-S2512 PolarHBondContact O-N 2.75Å
2511	L	30.4	Very low	32.5	Very low	163 Å²	163	119.2 Å²	119.2	85%	0.853	74%	0.738	S	S	*	*				-142.6	0	76.5	-80.5	169.1	0	0	0	111.6	A2509 S2513	A2509-L2511 PolarHBondContact O-N 3.16Å; A2509-L2511 VanDerWaalsContact O-N 3.17Å; L2511-S2513 PolarHBondContact O-N 3.05Å; L2511-S2513 VanDerWaalsContact O-N 3.11Å
2512	S	29.5	Very low	33.3	Very low	94.25 Å²	94.25	119.6 Å²	119.6	66%	0.659	74%	0.735	S	S	*	*				0	113.3	0	86.7	0	0	0	0	114.2	C2510 V2514	C2510-S2512 PolarHBondContact O-N 2.75Å; S2512-V2514 VanDerWaalsContact C-N 3.33Å; S2512-V2514 PolarHBondContact O-N 2.9Å
2513	S	28.3	Very low	34.3	Very low	109.5 Å²	109.5	117.5 Å²	117.5	77%	0.766	72%	0.723	S	S	*	*			trans	-15.9	0	131.4	63.7	0	0	0	0	113.8	L2511 S2515	L2511-S2513 PolarHBondContact O-N 3.05Å; L2511-S2513 VanDerWaalsContact O-N 3.11Å; S2513-S2515 PolarHBondContact O-N 2.8Å; S2513-S2515 VanDerWaalsContact O-N 3.08Å
2514	V	30.6	Very low	35.4	Very low	119.5 Å²	119.5	116.5 Å²	116.5	72%	0.724	72%	0.719	S	S	*	*				0	113	0	161	0	0	0	0	109.3	S2512 Q2516	S2512-V2514 VanDerWaalsContact C-N 3.33Å; S2512-V2514 PolarHBondContact O-N 2.9Å; V2514-Q2516 HydrophobicContact CG1-CB 4.47Å; V2514-Q2516 HydrophobicContact CG1-CG 3.9Å; V2514-Q2516 PolarHBondContact O-N 3.16Å
2515	S	29.7	Very low	36.9	Very low	110 Å²	110	116 Å²	116	77%	0.769	71%	0.711	S	S	*	*			trans	-74.2	0	163.3	7.1	0	0	0	0	110	S2513 S2517	S2513-S2515 PolarHBondContact O-N 2.8Å; S2513-S2515 VanDerWaalsContact O-N 3.08Å; S2515-S2517 PolarHBondContact O-N 3.04Å
2516	Q	31.8	Very low	38.5	Very low	185.5 Å²	185.5	114.8 Å²	114.8	87%	0.867	70%	0.698	S	S	*	*				0	94.8	0	-88.4	-178	-15.4	0	0	110.8	V2514	V2514-Q2516 HydrophobicContact CG1-CB 4.47Å; V2514-Q2516 HydrophobicContact CG1-CG 3.9Å; V2514-Q2516 PolarHBondContact O-N 3.16Å
2517	S	29.5	Very low	40.6	Very low	111.75 Å²	111.75	115.4 Å²	115.4	78%	0.781	69%	0.687	S	S	*	*			trans	-68.3	115.6	153	63.6	0	0	0	0	109.5	S2515	S2515-S2517 PolarHBondContact O-N 3.04Å
2518	G	32.6	Very low	42.9	Very low	59 Å²	59	115 Å²	115	61%	0.608	68%	0.681	S	S	*	*			trans	-169.5	101.3	158.8	0	0	0	0	0	110.7	S2520	G2518-S2520 PolarHBondContact O-N 3.21Å; G2518-S2520 VanDerWaalsContact O-N 3.09Å
2519	N	32.2	Very low	45.1	Very low	135.75 Å²	135.75	108.6 Å²	108.6	73%	0.726	66%	0.655	S	S	*	*				-5.3	0	128.3	-68.1	15.4	0	0	0	111.8	N2521 D2887	N2519-N2521 PolarHBondContact O-N 3.15Å; N2519-D2887 PolarHBondContact ND2-OD2 3.22Å
2520	S	39.6	Very low	47.8	Very low	106.25 Å²	106.25	110.2 Å²	110.2	74%	0.743	64%	0.644	S	S	*	*				0	100.9	0	61.1	0	0	0	0	109.1	G2518 F2522	G2518-S2520 PolarHBondContact O-N 3.21Å; G2518-S2520 VanDerWaalsContact O-N 3.09Å; S2520-F2522 PolarHBondContact O-N 3.14Å; S2520-F2522 VanDerWaalsContact O-N 3.16Å
2521	N	43.1	Very low	50.8	Low	155 Å²	155	107.7 Å²	107.7	83%	0.829	63%	0.625	S	S	*	*			trans	-37.9	109.6	160.5	-81.8	-7.8	0	0	0	109.1	N2519 D2523	N2519-N2521 PolarHBondContact O-N 3.15Å; N2521-D2523 PolarHBondContact O-N 2.99Å; N2521-D2523 VanDerWaalsContact O-N 3.09Å
2522	F	47.8	Very low	53.5	Low	127.25 Å²	127.25	106.2 Å²	106.2	56%	0.558	61%	0.614	S	S	*	*			trans	-58	110.1	172.7	-132.6	-93.4	0	0	0	108.6	S2520 P2524 D2526 Y2527 S2529 R2533	S2520-F2522 PolarHBondContact O-N 3.14Å; S2520-F2522 VanDerWaalsContact O-N 3.16Å; F2522-P2524 VanDerWaalsContact O-CD 3.28Å; F2522-P2524 WeakPolarHBondContact O-CD 3.18Å; F2522-D2526 HydrophobicContact CD1-CB 4.24Å; F2522-D2526 HydrophobicContact CE1-CB 4.12Å; F2522-D2526 HydrophobicContact CZ-CB 4.41Å; F2522-Y2527 HydrophobicContact CD1-CD2 4.41Å; F2522-Y2527 HydrophobicContact CE1-CD2 4.24Å; F2522-S2529 WeakPolarHBondContact CE2-OG 3.43Å; F2522-R2533 VanDerWaalsContact CZ-NH2 3.31Å
2523	D	53.4	Low	56.3	Low	83 Å²	83	107.1 Å²	107.1	44%	0.444	60%	0.603	S	S	.	*			trans	-63.6	0	168.8	-172.3	-6.5	0	0	0	108.1	N2521 S2525 D2526 Y2527	N2521-D2523 PolarHBondContact O-N 2.99Å; N2521-D2523 VanDerWaalsContact O-N 3.09Å; D2523-S2525 VanDerWaalsContact CG-OG 3.3Å; D2523-S2525 PolarHBondContact O-N 3.01Å; D2523-S2525 VanDerWaalsContact O-N 3.11Å; D2523-S2525 WeakPolarHBondContact OD1-CA 3.34Å; D2523-S2525 WeakPolarHBondContact OD1-CB 3.19Å; D2523-S2525 PolarHBondContact OD1-N 3.18Å; D2523-S2525 PolarHBondContact OD1-OG 3.26Å; D2523-S2525 WeakPolarHBondContact OD2-CB 3.43Å; D2523-S2525 PolarHBondContact OD2-OG 2.99Å; D2523-D2526 HydrophobicContact CB-CB 4.28Å; D2523-D2526 WeakPolarHBondContact O-CA 3.37Å; D2523-D2526 VanDerWaalsContact O-CB 3.26Å; D2523-D2526 WeakPolarHBondContact O-CB 3.38Å; D2523-D2526 PolarHBondContact O-N 3.1Å; D2523-Y2527 PolarHBondContact O-N 2.68Å
2524	P	56.1	Low	59.3	Low	107.25 Å²	107.25	104.5 Å²	104.5	70%	0.696	58%	0.582	S	S	*	*	H	α-helix		0	0	0	5.2	-9.5	0	0	0	112.5	F2522 D2526 Y2527 T2528	F2522-P2524 VanDerWaalsContact O-CD 3.28Å; F2522-P2524 WeakPolarHBondContact O-CD 3.18Å; P2524-D2526 VanDerWaalsContact C-N 3.29Å; P2524-D2526 PolarHBondContact O-N 2.78Å; P2524-Y2527 WeakPolarHBondContact O-CB 3.48Å; P2524-Y2527 PolarHBondContact O-N 3.01Å; P2524-T2528 WeakPolarHBondContact O-CG2 3.31Å; P2524-T2528 PolarHBondContact O-N 2.96Å
2525	S	64.6	Low	62.3	Low	75.25 Å²	75.25	103.9 Å²	103.9	53%	0.526	57%	0.574	S	S	.	*	H	α-helix		0	0	0	-46.7	0	0	0	0	111.7	D2523 Y2527 T2528 S2529	D2523-S2525 VanDerWaalsContact CG-OG 3.3Å; D2523-S2525 PolarHBondContact O-N 3.01Å; D2523-S2525 VanDerWaalsContact O-N 3.11Å; D2523-S2525 WeakPolarHBondContact OD1-CA 3.34Å; D2523-S2525 WeakPolarHBondContact OD1-CB 3.19Å; D2523-S2525 PolarHBondContact OD1-N 3.18Å; D2523-S2525 PolarHBondContact OD1-OG 3.26Å; D2523-S2525 WeakPolarHBondContact OD2-CB 3.43Å; D2523-S2525 PolarHBondContact OD2-OG 2.99Å; S2525-Y2527 VanDerWaalsContact C-N 3.33Å; S2525-Y2527 PolarHBondContact O-N 3.13Å; S2525-Y2527 VanDerWaalsContact O-N 3.13Å; S2525-T2528 PolarHBondContact O-N 2.87Å; S2525-T2528 VanDerWaalsContact O-N 3.12Å; S2525-T2528 PolarHBondContact O-OG1 3.09Å; S2525-S2529 PolarHBondContact O-N 3.12Å
2526	D	73.1	Confident	65.2	Low	81.25 Å²	81.25	104.1 Å²	104.1	43%	0.434	56%	0.562	S	S	.	*	H	α-helix		0	-7.9	0	-106.4	-25.5	0	0	0	111.7	F2522 D2523 P2524 T2528 S2529 Y2530 R2533	F2522-D2526 HydrophobicContact CD1-CB 4.24Å; F2522-D2526 HydrophobicContact CE1-CB 4.12Å; F2522-D2526 HydrophobicContact CZ-CB 4.41Å; D2523-D2526 HydrophobicContact CB-CB 4.28Å; D2523-D2526 WeakPolarHBondContact O-CA 3.37Å; D2523-D2526 VanDerWaalsContact O-CB 3.26Å; D2523-D2526 WeakPolarHBondContact O-CB 3.38Å; D2523-D2526 PolarHBondContact O-N 3.1Å; P2524-D2526 VanDerWaalsContact C-N 3.29Å; P2524-D2526 PolarHBondContact O-N 2.78Å; D2526-T2528 VanDerWaalsContact C-N 3.32Å; D2526-T2528 PolarHBondContact O-N 3Å; D2526-S2529 CarbonylContact O-C 3.39Å; D2526-S2529 WeakPolarHBondContact O-CB 3.26Å; D2526-S2529 PolarHBondContact O-N 3.13Å; D2526-S2529 VanDerWaalsContact OD1-CB 3.25Å; D2526-S2529 WeakPolarHBondContact OD1-CB 3.37Å; D2526-S2529 PolarHBondContact OD1-OG 3.18Å; D2526-Y2530 VanDerWaalsContact O-CB 3.27Å; D2526-Y2530 WeakPolarHBondContact O-CB 3.36Å; D2526-Y2530 PolarHBondContact O-N 2.98Å; D2526-R2533 IonicContact OD1-NH2 3.44Å; D2526-R2533 PolarHBondContact OD1-NH2 3.04Å
2527	Y	76.2	Confident	68.1	Low	138.5 Å²	138.5	102.8 Å²	102.8	54%	0.543	55%	0.55	S	S	.	.	H	α-helix	trans	-60.9	-37.5	173.1	-164.9	-98.2	0	0	0	111.1	F2522 D2523 P2524 S2525 S2529 Y2530 V2531	F2522-Y2527 HydrophobicContact CD1-CD2 4.41Å; F2522-Y2527 HydrophobicContact CE1-CD2 4.24Å; D2523-Y2527 PolarHBondContact O-N 2.68Å; P2524-Y2527 WeakPolarHBondContact O-CB 3.48Å; P2524-Y2527 PolarHBondContact O-N 3.01Å; S2525-Y2527 VanDerWaalsContact C-N 3.33Å; S2525-Y2527 PolarHBondContact O-N 3.13Å; S2525-Y2527 VanDerWaalsContact O-N 3.13Å; Y2527-S2529 VanDerWaalsContact C-N 3.34Å; Y2527-S2529 PolarHBondContact O-N 3.22Å; Y2527-Y2530 PolarHBondContact O-N 3.03Å; Y2527-V2531 HydrophobicContact CD1-CG2 3.92Å; Y2527-V2531 HydrophobicContact CE1-CG2 3.66Å; Y2527-V2531 HydrophobicContact CE2-CG2 4.22Å; Y2527-V2531 HydrophobicContact CG-CG2 4.48Å; Y2527-V2531 WeakPolarHBondContact O-CB 3.37Å; Y2527-V2531 WeakPolarHBondContact O-CG2 3.21Å; Y2527-V2531 PolarHBondContact O-N 3.05Å
2528	T	81.8	Confident	71.2	Confident	85.75 Å²	85.75	101.3 Å²	101.3	53%	0.526	54%	0.535	S	S	.	.	H	α-helix	trans	-67.7	-38.5	176.6	64.8	0	0	0	0	111.5	P2524 S2525 D2526 Y2530 V2531 Q2532	P2524-T2528 WeakPolarHBondContact O-CG2 3.31Å; P2524-T2528 PolarHBondContact O-N 2.96Å; S2525-T2528 PolarHBondContact O-N 2.87Å; S2525-T2528 VanDerWaalsContact O-N 3.12Å; S2525-T2528 PolarHBondContact O-OG1 3.09Å; D2526-T2528 VanDerWaalsContact C-N 3.32Å; D2526-T2528 PolarHBondContact O-N 3Å; T2528-Y2530 VanDerWaalsContact C-N 3.32Å; T2528-Y2530 PolarHBondContact O-N 2.87Å; T2528-V2531 PolarHBondContact O-N 2.77Å; T2528-Q2532 VanDerWaalsContact O-CB 3.28Å; T2528-Q2532 WeakPolarHBondContact O-CB 3.35Å; T2528-Q2532 VanDerWaalsContact O-CG 3.27Å; T2528-Q2532 WeakPolarHBondContact O-CG 3.23Å; T2528-Q2532 PolarHBondContact O-N 3.05Å
2529	S	79.8	Confident	74.1	Confident	39.25 Å²	39.25	104.5 Å²	104.5	27%	0.274	53%	0.533	S	S	.	.	H	α-helix	trans	-67.3	-35.4	175.7	174.8	0	0	0	0	112.3	F2522 S2525 D2526 Y2527 Q2532 R2533	F2522-S2529 WeakPolarHBondContact CE2-OG 3.43Å; S2525-S2529 PolarHBondContact O-N 3.12Å; D2526-S2529 CarbonylContact O-C 3.39Å; D2526-S2529 WeakPolarHBondContact O-CB 3.26Å; D2526-S2529 PolarHBondContact O-N 3.13Å; D2526-S2529 VanDerWaalsContact OD1-CB 3.25Å; D2526-S2529 WeakPolarHBondContact OD1-CB 3.37Å; D2526-S2529 PolarHBondContact OD1-OG 3.18Å; Y2527-S2529 VanDerWaalsContact C-N 3.34Å; Y2527-S2529 PolarHBondContact O-N 3.22Å; S2529-Q2532 PolarHBondContact O-N 3.23Å; S2529-R2533 WeakPolarHBondContact O-CB 3.14Å; S2529-R2533 VanDerWaalsContact O-CG 3.24Å; S2529-R2533 WeakPolarHBondContact O-CG 3.46Å; S2529-R2533 PolarHBondContact O-N 3.32Å; S2529-R2533 VanDerWaalsContact O-N 3.13Å; S2529-R2533 PolarHBondContact O-NE 2.94Å; S2529-R2533 PolarHBondContact OG-NE 3.12Å; S2529-R2533 PolarHBondContact OG-NH2 3.12Å
2530	Y	86.3	Confident	77	Confident	122.25 Å²	122.25	103.7 Å²	103.7	48%	0.479	52%	0.524	S	S	.	.	H	α-helix	trans	-69.7	-48.2	175.7	176.2	-102.7	0	0	0	111	D2526 Y2527 T2528 Q2532 R2533 V2534	D2526-Y2530 VanDerWaalsContact O-CB 3.27Å; D2526-Y2530 WeakPolarHBondContact O-CB 3.36Å; D2526-Y2530 PolarHBondContact O-N 2.98Å; Y2527-Y2530 PolarHBondContact O-N 3.03Å; T2528-Y2530 VanDerWaalsContact C-N 3.32Å; T2528-Y2530 PolarHBondContact O-N 2.87Å; Y2530-Q2532 VanDerWaalsContact C-N 3.3Å; Y2530-Q2532 PolarHBondContact O-N 3.23Å; Y2530-R2533 CarbonylContact O-C 3.45Å; Y2530-R2533 WeakPolarHBondContact O-CB 3.04Å; Y2530-R2533 PolarHBondContact O-N 3.38Å; Y2530-R2533 VanDerWaalsContact O-N 3.11Å; Y2530-V2534 HydrophobicContact CD1-CG2 4.26Å; Y2530-V2534 HydrophobicContact CD2-CG2 4.36Å; Y2530-V2534 HydrophobicContact CE1-CG2 3.85Å; Y2530-V2534 HydrophobicContact CE2-CG2 4.14Å; Y2530-V2534 HydrophobicContact CG-CG2 4.43Å; Y2530-V2534 WeakPolarHBondContact O-CG2 3.38Å; Y2530-V2534 PolarHBondContact O-N 2.94Å
2531	V	90.2	Very high	79.5	Confident	52.5 Å²	52.5	105 Å²	105	32%	0.318	52%	0.519	S	S	.	.	H	α-helix	trans	-61.8	-40.1	177.9	170.8	0	0	0	0	110.5	Y2527 T2528 R2533 V2534 I2535	Y2527-V2531 HydrophobicContact CD1-CG2 3.92Å; Y2527-V2531 HydrophobicContact CE1-CG2 3.66Å; Y2527-V2531 HydrophobicContact CE2-CG2 4.22Å; Y2527-V2531 HydrophobicContact CG-CG2 4.48Å; Y2527-V2531 WeakPolarHBondContact O-CB 3.37Å; Y2527-V2531 WeakPolarHBondContact O-CG2 3.21Å; Y2527-V2531 PolarHBondContact O-N 3.05Å; T2528-V2531 PolarHBondContact O-N 2.77Å; V2531-R2533 PolarHBondContact O-N 3.13Å; V2531-V2534 PolarHBondContact O-N 3.06Å; V2531-V2534 VanDerWaalsContact O-N 3.15Å; V2531-I2535 HydrophobicContact CG1-CD1 3.73Å; V2531-I2535 HydrophobicContact CG1-CG1 4.33Å; V2531-I2535 WeakPolarHBondContact O-CB 3.18Å; V2531-I2535 VanDerWaalsContact O-CG1 3.28Å; V2531-I2535 WeakPolarHBondContact O-CG1 3.4Å; V2531-I2535 PolarHBondContact O-N 3.06Å
2532	Q	86.9	Confident	81.8	Confident	130.75 Å²	130.75	103.1 Å²	103.1	61%	0.611	50%	0.503	S	S	*	.	H	α-helix	trans	-63.4	-40.7	174.6	-98.6	175	-1	0	0	111.9	T2528 S2529 Y2530 V2534 I2535 E2536	T2528-Q2532 VanDerWaalsContact O-CB 3.28Å; T2528-Q2532 WeakPolarHBondContact O-CB 3.35Å; T2528-Q2532 VanDerWaalsContact O-CG 3.27Å; T2528-Q2532 WeakPolarHBondContact O-CG 3.23Å; T2528-Q2532 PolarHBondContact O-N 3.05Å; S2529-Q2532 PolarHBondContact O-N 3.23Å; Y2530-Q2532 VanDerWaalsContact C-N 3.3Å; Y2530-Q2532 PolarHBondContact O-N 3.23Å; Q2532-V2534 VanDerWaalsContact C-N 3.3Å; Q2532-V2534 PolarHBondContact O-N 3.01Å; Q2532-I2535 PolarHBondContact O-N 2.92Å; Q2532-E2536 VanDerWaalsContact O-CB 3.31Å; Q2532-E2536 WeakPolarHBondContact O-CB 3.32Å; Q2532-E2536 PolarHBondContact O-N 3.22Å
2533	R	89.3	Confident	84	Confident	114.5 Å²	114.5	100.9 Å²	100.9	43%	0.432	50%	0.497	S	S	.	.	H	α-helix	trans	-68.1	-29.1	175.5	-99.2	177.2	-74	166.6	-5.3	112.9	F2522 D2526 S2529 Y2530 V2531 I2535 E2536 R2537	F2522-R2533 VanDerWaalsContact CZ-NH2 3.31Å; D2526-R2533 IonicContact OD1-NH2 3.44Å; D2526-R2533 PolarHBondContact OD1-NH2 3.04Å; S2529-R2533 WeakPolarHBondContact O-CB 3.14Å; S2529-R2533 VanDerWaalsContact O-CG 3.24Å; S2529-R2533 WeakPolarHBondContact O-CG 3.46Å; S2529-R2533 PolarHBondContact O-N 3.32Å; S2529-R2533 VanDerWaalsContact O-N 3.13Å; S2529-R2533 PolarHBondContact O-NE 2.94Å; S2529-R2533 PolarHBondContact OG-NE 3.12Å; S2529-R2533 PolarHBondContact OG-NH2 3.12Å; Y2530-R2533 CarbonylContact O-C 3.45Å; Y2530-R2533 WeakPolarHBondContact O-CB 3.04Å; Y2530-R2533 PolarHBondContact O-N 3.38Å; Y2530-R2533 VanDerWaalsContact O-N 3.11Å; V2531-R2533 PolarHBondContact O-N 3.13Å; R2533-I2535 VanDerWaalsContact C-N 3.28Å; R2533-E2536 CarbonylContact O-C 3.55Å; R2533-E2536 PolarHBondContact O-N 3.38Å; R2533-R2537 WeakPolarHBondContact O-CB 3.3Å; R2533-R2537 WeakPolarHBondContact O-CG 3.24Å; R2533-R2537 PolarHBondContact O-N 3.11Å; R2533-R2537 VanDerWaalsContact O-N 3.09Å; R2533-R2537 PolarHBondContact O-NE 3.42Å
2534	V	91.4	Very high	85.8	Confident	54.75 Å²	54.75	102.4 Å²	102.4	33%	0.332	50%	0.502	S	S	.	.	H	α-helix	trans	-73.8	-45.3	174.5	171.2	0	0	0	0	110	Y2530 V2531 Q2532 E2536 R2537 V2538	Y2530-V2534 HydrophobicContact CD1-CG2 4.26Å; Y2530-V2534 HydrophobicContact CD2-CG2 4.36Å; Y2530-V2534 HydrophobicContact CE1-CG2 3.85Å; Y2530-V2534 HydrophobicContact CE2-CG2 4.14Å; Y2530-V2534 HydrophobicContact CG-CG2 4.43Å; Y2530-V2534 WeakPolarHBondContact O-CG2 3.38Å; Y2530-V2534 PolarHBondContact O-N 2.94Å; V2531-V2534 PolarHBondContact O-N 3.06Å; V2531-V2534 VanDerWaalsContact O-N 3.15Å; Q2532-V2534 VanDerWaalsContact C-N 3.3Å; Q2532-V2534 PolarHBondContact O-N 3.01Å; V2534-E2536 VanDerWaalsContact C-N 3.31Å; V2534-E2536 PolarHBondContact O-N 3.1Å; V2534-R2537 PolarHBondContact O-N 3.25Å; V2534-R2537 VanDerWaalsContact O-N 3.17Å; V2534-V2538 HydrophobicContact CG1-CG2 4.32Å; V2534-V2538 WeakPolarHBondContact O-CB 3.07Å; V2534-V2538 WeakPolarHBondContact O-CG2 3.36Å; V2534-V2538 PolarHBondContact O-N 3.12Å
2535	I	92.1	Very high	87.5	Confident	107.25 Å²	107.25	101.5 Å²	101.5	55%	0.55	49%	0.488	S	S	*	.	H	α-helix	trans	-61.5	-40.1	176.4	-69.1	168.3	0	0	0	110.4	V2531 Q2532 R2533 R2537 V2538 K2539	V2531-I2535 HydrophobicContact CG1-CD1 3.73Å; V2531-I2535 HydrophobicContact CG1-CG1 4.33Å; V2531-I2535 WeakPolarHBondContact O-CB 3.18Å; V2531-I2535 VanDerWaalsContact O-CG1 3.28Å; V2531-I2535 WeakPolarHBondContact O-CG1 3.4Å; V2531-I2535 PolarHBondContact O-N 3.06Å; Q2532-I2535 PolarHBondContact O-N 2.92Å; R2533-I2535 VanDerWaalsContact C-N 3.28Å; I2535-R2537 VanDerWaalsContact C-N 3.28Å; I2535-R2537 PolarHBondContact O-N 3.35Å; I2535-V2538 PolarHBondContact O-N 2.71Å; I2535-K2539 VanDerWaalsContact O-CB 3.27Å; I2535-K2539 WeakPolarHBondContact O-CB 3.33Å; I2535-K2539 PolarHBondContact O-N 3.1Å
2536	E	92.3	Very high	88.6	Confident	113.5 Å²	113.5	102.4 Å²	102.4	53%	0.53	49%	0.486	S	S	.	.	H	α-helix	trans	-67.8	-38.6	178.5	-169	175	-158.6	0	0	111.7	Q2532 R2533 V2534 K2539 Q2540	Q2532-E2536 VanDerWaalsContact O-CB 3.31Å; Q2532-E2536 WeakPolarHBondContact O-CB 3.32Å; Q2532-E2536 PolarHBondContact O-N 3.22Å; R2533-E2536 CarbonylContact O-C 3.55Å; R2533-E2536 PolarHBondContact O-N 3.38Å; V2534-E2536 VanDerWaalsContact C-N 3.31Å; V2534-E2536 PolarHBondContact O-N 3.1Å; E2536-K2539 PolarHBondContact O-N 3.11Å; E2536-Q2540 HydrophobicContact CG-CG 4.34Å; E2536-Q2540 WeakPolarHBondContact O-CB 3.32Å; E2536-Q2540 VanDerWaalsContact O-CG 3.29Å; E2536-Q2540 WeakPolarHBondContact O-CG 3.28Å; E2536-Q2540 PolarHBondContact O-N 3.23Å; E2536-Q2540 PolarHBondContact OE1-NE2 3.18Å
2537	R	91.9	Very high	89.4	Confident	158.5 Å²	158.5	104 Å²	104	60%	0.598	49%	0.494	S	S	*	.	H	α-helix	trans	-65.5	-47.6	174.3	-90.3	-169.5	-135.1	122.5	-2.4	111.9	R2533 V2534 I2535 K2539 Q2540 E2541	R2533-R2537 WeakPolarHBondContact O-CB 3.3Å; R2533-R2537 WeakPolarHBondContact O-CG 3.24Å; R2533-R2537 PolarHBondContact O-N 3.11Å; R2533-R2537 VanDerWaalsContact O-N 3.09Å; R2533-R2537 PolarHBondContact O-NE 3.42Å; V2534-R2537 PolarHBondContact O-N 3.25Å; V2534-R2537 VanDerWaalsContact O-N 3.17Å; I2535-R2537 VanDerWaalsContact C-N 3.28Å; I2535-R2537 PolarHBondContact O-N 3.35Å; R2537-K2539 VanDerWaalsContact C-N 3.27Å; R2537-K2539 PolarHBondContact O-N 3.03Å; R2537-Q2540 PolarHBondContact O-N 2.97Å; R2537-Q2540 VanDerWaalsContact O-N 3.08Å; R2537-E2541 WeakPolarHBondContact O-CB 3.43Å; R2537-E2541 PolarHBondContact O-N 3.23Å
2538	V	93.5	Very high	89.9	Confident	79.75 Å²	79.75	101.4 Å²	101.4	48%	0.483	49%	0.487	S	S	.	.	H	α-helix	trans	-63.3	-34.6	179.3	171.8	0	0	0	0	110.4	V2534 I2535 E2541 K2542	V2534-V2538 HydrophobicContact CG1-CG2 4.32Å; V2534-V2538 WeakPolarHBondContact O-CB 3.07Å; V2534-V2538 WeakPolarHBondContact O-CG2 3.36Å; V2534-V2538 PolarHBondContact O-N 3.12Å; I2535-V2538 PolarHBondContact O-N 2.71Å; V2538-E2541 PolarHBondContact O-N 3.19Å; V2538-K2542 VanDerWaalsContact O-CB 3.28Å; V2538-K2542 WeakPolarHBondContact O-CB 3.25Å; V2538-K2542 WeakPolarHBondContact O-CG 3.4Å; V2538-K2542 PolarHBondContact O-N 3.21Å; V2538-K2542 VanDerWaalsContact O-N 3.1Å
2539	K	95.1	Very high	90	Very high	126.5 Å²	126.5	102 Å²	102	55%	0.55	48%	0.483	S	S	*	.	H	α-helix	trans	-67.3	-44.4	173.7	-172.6	-177.2	178.9	-75.5	0	111.9	I2535 E2536 R2537 E2541 K2542 D2543	I2535-K2539 VanDerWaalsContact O-CB 3.27Å; I2535-K2539 WeakPolarHBondContact O-CB 3.33Å; I2535-K2539 PolarHBondContact O-N 3.1Å; E2536-K2539 PolarHBondContact O-N 3.11Å; R2537-K2539 VanDerWaalsContact C-N 3.27Å; R2537-K2539 PolarHBondContact O-N 3.03Å; K2539-E2541 VanDerWaalsContact C-N 3.33Å; K2539-E2541 PolarHBondContact O-N 3.21Å; K2539-K2542 PolarHBondContact O-N 3.08Å; K2539-D2543 IonicContact NZ-OD1 3.55Å; K2539-D2543 PolarHBondContact NZ-OD1 3.32Å; K2539-D2543 IonicContact NZ-OD2 3.48Å; K2539-D2543 PolarHBondContact NZ-OD2 3.09Å; K2539-D2543 WeakPolarHBondContact O-CB 3.45Å; K2539-D2543 VanDerWaalsContact O-CG 3.27Å; K2539-D2543 PolarHBondContact O-N 3.01Å
2540	Q	93.2	Very high	90.3	Very high	117.75 Å²	117.75	107.5 Å²	107.5	55%	0.55	50%	0.498	S	S	*	.	H	α-helix	trans	-63	-42.1	177.7	-76.7	178.6	6.5	0	0	111.5	E2536 R2537 K2542 D2543 E2544	E2536-Q2540 HydrophobicContact CG-CG 4.34Å; E2536-Q2540 WeakPolarHBondContact O-CB 3.32Å; E2536-Q2540 VanDerWaalsContact O-CG 3.29Å; E2536-Q2540 WeakPolarHBondContact O-CG 3.28Å; E2536-Q2540 PolarHBondContact O-N 3.23Å; E2536-Q2540 PolarHBondContact OE1-NE2 3.18Å; R2537-Q2540 PolarHBondContact O-N 2.97Å; R2537-Q2540 VanDerWaalsContact O-N 3.08Å; Q2540-K2542 VanDerWaalsContact C-N 3.32Å; Q2540-K2542 PolarHBondContact O-N 2.96Å; Q2540-D2543 PolarHBondContact O-N 3.32Å; Q2540-E2544 WeakPolarHBondContact O-CB 3.35Å; Q2540-E2544 PolarHBondContact O-N 3.12Å
2541	E	90.9	Very high	90.1	Very high	133.75 Å²	133.75	106.3 Å²	106.3	63%	0.625	50%	0.497	S	S	*	.	H	α-helix	trans	-62.8	-41	177.2	-174.4	176.7	-172.5	0	0	111.2	R2537 V2538 K2539 E2544 E2545	R2537-E2541 WeakPolarHBondContact O-CB 3.43Å; R2537-E2541 PolarHBondContact O-N 3.23Å; V2538-E2541 PolarHBondContact O-N 3.19Å; K2539-E2541 VanDerWaalsContact C-N 3.33Å; K2539-E2541 PolarHBondContact O-N 3.21Å; E2541-E2544 PolarHBondContact O-N 3.12Å; E2541-E2545 PolarHBondContact O-N 3.02Å; E2541-E2545 VanDerWaalsContact O-N 3.08Å
2542	K	92.5	Very high	89.5	Confident	116.25 Å²	116.25	110.3 Å²	110.3	51%	0.505	51%	0.51	S	S	.	.	H	α-helix	trans	-71.5	-36.5	177.2	-121.8	-133.3	-178.7	159	0	112.7	V2538 K2539 Q2540 E2544 E2545 I2546	V2538-K2542 VanDerWaalsContact O-CB 3.28Å; V2538-K2542 WeakPolarHBondContact O-CB 3.25Å; V2538-K2542 WeakPolarHBondContact O-CG 3.4Å; V2538-K2542 PolarHBondContact O-N 3.21Å; V2538-K2542 VanDerWaalsContact O-N 3.1Å; K2539-K2542 PolarHBondContact O-N 3.08Å; Q2540-K2542 VanDerWaalsContact C-N 3.32Å; Q2540-K2542 PolarHBondContact O-N 2.96Å; K2542-E2544 VanDerWaalsContact C-N 3.32Å; K2542-E2545 IonicContact NZ-OE2 3.11Å; K2542-E2545 PolarHBondContact NZ-OE2 2.85Å; K2542-E2545 PolarHBondContact O-N 3.05Å; K2542-I2546 HydrophobicContact CG-CD1 4.07Å; K2542-I2546 WeakPolarHBondContact O-CB 3.36Å; K2542-I2546 WeakPolarHBondContact O-CD1 3.4Å; K2542-I2546 VanDerWaalsContact O-CG1 3.24Å; K2542-I2546 WeakPolarHBondContact O-CG1 3.33Å; K2542-I2546 PolarHBondContact O-N 2.91Å
2543	D	93.2	Very high	88.7	Confident	80.75 Å²	80.75	111.6 Å²	111.6	43%	0.432	52%	0.518	S	S	.	.	H	α-helix	trans	-65.7	0	174.6	-75.7	-27.1	0	0	0	111	K2539 Q2540 E2545 I2546 L2547	K2539-D2543 IonicContact NZ-OD1 3.55Å; K2539-D2543 PolarHBondContact NZ-OD1 3.32Å; K2539-D2543 IonicContact NZ-OD2 3.48Å; K2539-D2543 PolarHBondContact NZ-OD2 3.09Å; K2539-D2543 WeakPolarHBondContact O-CB 3.45Å; K2539-D2543 VanDerWaalsContact O-CG 3.27Å; K2539-D2543 PolarHBondContact O-N 3.01Å; Q2540-D2543 PolarHBondContact O-N 3.32Å; D2543-E2545 VanDerWaalsContact C-N 3.31Å; D2543-I2546 PolarHBondContact O-N 3.25Å; D2543-L2547 WeakPolarHBondContact O-CB 2.96Å; D2543-L2547 PolarHBondContact O-N 3.21Å
2544	E	92.3	Very high	87.7	Confident	114.5 Å²	114.5	115.3 Å²	115.3	54%	0.535	53%	0.532	S	S	.	.	H	α-helix		0	-39.7	0	-164.9	-176.8	153	0	0	111.5	Q2540 E2541 K2542 I2546 L2547 Q2548	Q2540-E2544 WeakPolarHBondContact O-CB 3.35Å; Q2540-E2544 PolarHBondContact O-N 3.12Å; E2541-E2544 PolarHBondContact O-N 3.12Å; K2542-E2544 VanDerWaalsContact C-N 3.32Å; E2544-I2546 VanDerWaalsContact C-N 3.32Å; E2544-I2546 PolarHBondContact O-N 3.27Å; E2544-L2547 CarbonylContact O-C 3.58Å; E2544-L2547 WeakPolarHBondContact O-CA 3.25Å; E2544-L2547 WeakPolarHBondContact O-CB 3.21Å; E2544-L2547 PolarHBondContact O-N 3.2Å; E2544-L2547 VanDerWaalsContact O-N 3.13Å; E2544-Q2548 HydrophobicContact CG-CG 4.49Å; E2544-Q2548 WeakPolarHBondContact O-CB 2.74Å; E2544-Q2548 VanDerWaalsContact O-CG 3.23Å; E2544-Q2548 WeakPolarHBondContact O-CG 3.02Å; E2544-Q2548 PolarHBondContact O-N 3.09Å; E2544-Q2548 PolarHBondContact OE1-NE2 3.37Å
2545	E	90.1	Very high	85.6	Confident	89 Å²	89	120 Å²	120	42%	0.416	54%	0.544	S	S	.	.	H	α-helix	trans	-61.1	0	176	-164.4	-156.1	156.3	0	0	110.9	E2541 K2542 D2543 L2547 Q2548 Q2549	E2541-E2545 PolarHBondContact O-N 3.02Å; E2541-E2545 VanDerWaalsContact O-N 3.08Å; K2542-E2545 IonicContact NZ-OE2 3.11Å; K2542-E2545 PolarHBondContact NZ-OE2 2.85Å; K2542-E2545 PolarHBondContact O-N 3.05Å; D2543-E2545 VanDerWaalsContact C-N 3.31Å; E2545-L2547 VanDerWaalsContact C-N 3.34Å; E2545-L2547 PolarHBondContact O-N 3Å; E2545-Q2548 PolarHBondContact O-N 3.01Å; E2545-Q2549 WeakPolarHBondContact O-CB 3.34Å; E2545-Q2549 WeakPolarHBondContact O-CG 3.37Å; E2545-Q2549 PolarHBondContact O-N 3.1Å; E2545-Q2549 PolarHBondContact OE1-NE2 3.22Å
2546	I	88.8	Confident	83.5	Confident	94.25 Å²	94.25	120.5 Å²	120.5	48%	0.483	55%	0.554	S	S	.	*	H	α-helix		0	-38.9	0	-69.4	167.4	0	0	0	110.7	K2542 D2543 E2544 Q2548 Q2549 R2550	K2542-I2546 HydrophobicContact CG-CD1 4.07Å; K2542-I2546 WeakPolarHBondContact O-CB 3.36Å; K2542-I2546 WeakPolarHBondContact O-CD1 3.4Å; K2542-I2546 VanDerWaalsContact O-CG1 3.24Å; K2542-I2546 WeakPolarHBondContact O-CG1 3.33Å; K2542-I2546 PolarHBondContact O-N 2.91Å; D2543-I2546 PolarHBondContact O-N 3.25Å; E2544-I2546 VanDerWaalsContact C-N 3.32Å; E2544-I2546 PolarHBondContact O-N 3.27Å; I2546-Q2548 VanDerWaalsContact C-N 3.34Å; I2546-Q2549 PolarHBondContact O-N 3Å; I2546-R2550 VanDerWaalsContact O-CB 3.28Å; I2546-R2550 WeakPolarHBondContact O-CB 3.35Å; I2546-R2550 PolarHBondContact O-N 2.95Å
2547	L	88.8	Confident	81.4	Confident	113 Å²	113	124.5 Å²	124.5	59%	0.592	57%	0.57	S	S	*	*	H	α-helix	trans	-64	0	175.7	-176.4	62.2	0	0	0	111.3	D2543 E2544 E2545 Q2549 R2550 E2551	D2543-L2547 WeakPolarHBondContact O-CB 2.96Å; D2543-L2547 PolarHBondContact O-N 3.21Å; E2544-L2547 CarbonylContact O-C 3.58Å; E2544-L2547 WeakPolarHBondContact O-CA 3.25Å; E2544-L2547 WeakPolarHBondContact O-CB 3.21Å; E2544-L2547 PolarHBondContact O-N 3.2Å; E2544-L2547 VanDerWaalsContact O-N 3.13Å; E2545-L2547 VanDerWaalsContact C-N 3.34Å; E2545-L2547 PolarHBondContact O-N 3Å; L2547-Q2549 VanDerWaalsContact C-N 3.35Å; L2547-Q2549 PolarHBondContact O-N 3.26Å; L2547-R2550 PolarHBondContact O-N 3.07Å; L2547-E2551 WeakPolarHBondContact O-CB 3.3Å; L2547-E2551 PolarHBondContact O-N 3.09Å
2548	Q	88.2	Confident	79.1	Confident	84.75 Å²	84.75	126.2 Å²	126.2	40%	0.396	58%	0.581	S	S	.	*	H	α-helix		0	0	0	-71.7	-171.3	30.3	0	0	111.6	E2544 E2545 I2546 R2550 E2551 K2552	E2544-Q2548 HydrophobicContact CG-CG 4.49Å; E2544-Q2548 WeakPolarHBondContact O-CB 2.74Å; E2544-Q2548 VanDerWaalsContact O-CG 3.23Å; E2544-Q2548 WeakPolarHBondContact O-CG 3.02Å; E2544-Q2548 PolarHBondContact O-N 3.09Å; E2544-Q2548 PolarHBondContact OE1-NE2 3.37Å; E2545-Q2548 PolarHBondContact O-N 3.01Å; I2546-Q2548 VanDerWaalsContact C-N 3.34Å; Q2548-R2550 VanDerWaalsContact C-N 3.33Å; Q2548-R2550 PolarHBondContact O-N 3.11Å; Q2548-E2551 PolarHBondContact O-N 3.3Å; Q2548-K2552 WeakPolarHBondContact O-CB 3.44Å; Q2548-K2552 VanDerWaalsContact O-CD 3.28Å; Q2548-K2552 WeakPolarHBondContact O-CD 3.49Å; Q2548-K2552 VanDerWaalsContact O-CG 3.29Å; Q2548-K2552 WeakPolarHBondContact O-CG 3.37Å; Q2548-K2552 PolarHBondContact O-N 3.23Å
2549	Q	84	Confident	76.5	Confident	98 Å²	98	129 Å²	129	46%	0.458	59%	0.594	S	S	.	*	H	α-helix		0	0	0	-73.7	-172.9	17.1	0	0	111	E2545 I2546 L2547 E2551 K2552 M2553	E2545-Q2549 WeakPolarHBondContact O-CB 3.34Å; E2545-Q2549 WeakPolarHBondContact O-CG 3.37Å; E2545-Q2549 PolarHBondContact O-N 3.1Å; E2545-Q2549 PolarHBondContact OE1-NE2 3.22Å; I2546-Q2549 PolarHBondContact O-N 3Å; L2547-Q2549 VanDerWaalsContact C-N 3.35Å; L2547-Q2549 PolarHBondContact O-N 3.26Å; Q2549-E2551 VanDerWaalsContact C-N 3.34Å; Q2549-E2551 PolarHBondContact O-N 3.12Å; Q2549-K2552 PolarHBondContact O-N 3.27Å; Q2549-M2553 WeakPolarHBondContact O-CG 2.23Å; Q2549-M2553 PolarHBondContact O-N 3.29Å
2550	R	85.3	Confident	73.7	Confident	155.25 Å²	155.25	127.3 Å²	127.3	59%	0.586	60%	0.603	S	S	*	*	H	α-helix		0	0	0	-165	176.1	-170.8	168.3	4.3	112.4	I2546 L2547 Q2548 K2552 M2553 R2554	I2546-R2550 VanDerWaalsContact O-CB 3.28Å; I2546-R2550 WeakPolarHBondContact O-CB 3.35Å; I2546-R2550 PolarHBondContact O-N 2.95Å; L2547-R2550 PolarHBondContact O-N 3.07Å; Q2548-R2550 VanDerWaalsContact C-N 3.33Å; Q2548-R2550 PolarHBondContact O-N 3.11Å; R2550-K2552 VanDerWaalsContact C-N 3.34Å; R2550-M2553 PolarHBondContact O-N 2.79Å; R2550-R2554 VanDerWaalsContact O-CB 3.3Å; R2550-R2554 WeakPolarHBondContact O-CB 3.35Å; R2550-R2554 WeakPolarHBondContact O-CG 3.43Å; R2550-R2554 PolarHBondContact O-N 3.28Å
2551	E	81.2	Confident	71	Confident	96 Å²	96	126.4 Å²	126.4	45%	0.449	61%	0.61	S	S	.	*	H	α-helix		0	0	0	-161.3	-167.5	148.7	0	0	111.6	L2547 Q2548 Q2549 M2553 R2554 R2555	L2547-E2551 WeakPolarHBondContact O-CB 3.3Å; L2547-E2551 PolarHBondContact O-N 3.09Å; Q2548-E2551 PolarHBondContact O-N 3.3Å; Q2549-E2551 VanDerWaalsContact C-N 3.34Å; Q2549-E2551 PolarHBondContact O-N 3.12Å; E2551-M2553 VanDerWaalsContact C-N 3.34Å; E2551-M2553 PolarHBondContact O-N 2.85Å; E2551-R2554 PolarHBondContact O-N 3.1Å; E2551-R2555 PolarHBondContact O-N 3.3Å; E2551-R2555 PolarHBondContact O-NH1 3.37Å; E2551-R2555 IonicContact OE1-CZ 2.71Å; E2551-R2555 IonicContact OE1-NE 3.88Å; E2551-R2555 IonicContact OE1-NH1 3.36Å; E2551-R2555 PolarHBondContact OE1-NH1 3.18Å; E2551-R2555 IonicContact OE1-NH2 3.1Å; E2551-R2555 PolarHBondContact OE1-NH2 3.27Å; E2551-R2555 IonicContact OE2-CZ 2.67Å; E2551-R2555 IonicContact OE2-NH1 2.89Å; E2551-R2555 PolarHBondContact OE2-NH1 2.88Å; E2551-R2555 IonicContact OE2-NH2 2.84Å; E2551-R2555 PolarHBondContact OE2-NH2 3.3Å
2552	K	78.4	Confident	68.3	Low	138 Å²	138	126.3 Å²	126.3	60%	0.6	62%	0.618	S	S	*	*	H	α-helix		0	0	0	-72.2	168.3	-173.3	169.8	0	110.7	Q2548 Q2549 R2550 R2554 R2555	Q2548-K2552 WeakPolarHBondContact O-CB 3.44Å; Q2548-K2552 VanDerWaalsContact O-CD 3.28Å; Q2548-K2552 WeakPolarHBondContact O-CD 3.49Å; Q2548-K2552 VanDerWaalsContact O-CG 3.29Å; Q2548-K2552 WeakPolarHBondContact O-CG 3.37Å; Q2548-K2552 PolarHBondContact O-N 3.23Å; Q2549-K2552 PolarHBondContact O-N 3.27Å; R2550-K2552 VanDerWaalsContact C-N 3.34Å; K2552-R2554 PolarHBondContact O-N 2.95Å; K2552-R2555 PolarHBondContact O-N 2.73Å
2553	M	70.8	Confident	65.5	Low	156.75 Å²	156.75	125.7 Å²	125.7	77%	0.772	63%	0.629	S	S	*	*	H	α-helix		0	-21.7	0	-74.7	-164.1	-76.4	0	0	113.6	Q2549 R2550 E2551	Q2549-M2553 WeakPolarHBondContact O-CG 2.23Å; Q2549-M2553 PolarHBondContact O-N 3.29Å; R2550-M2553 PolarHBondContact O-N 2.79Å; E2551-M2553 VanDerWaalsContact C-N 3.34Å; E2551-M2553 PolarHBondContact O-N 2.85Å
2554	R	67.6	Low	62.8	Low	193.5 Å²	193.5	127.8 Å²	127.8	73%	0.73	65%	0.645	S	S	*	*	H	α-helix	trans	-89.9	0	-179.7	-99.9	-174.2	165.8	175.9	-3	113.7	R2550 E2551 K2552 P2556	R2550-R2554 VanDerWaalsContact O-CB 3.3Å; R2550-R2554 WeakPolarHBondContact O-CB 3.35Å; R2550-R2554 WeakPolarHBondContact O-CG 3.43Å; R2550-R2554 PolarHBondContact O-N 3.28Å; E2551-R2554 PolarHBondContact O-N 3.1Å; K2552-R2554 PolarHBondContact O-N 2.95Å; R2554-P2556 VanDerWaalsContact O-CD 3.28Å; R2554-P2556 WeakPolarHBondContact O-CD 3.35Å; R2554-P2556 VanDerWaalsContact O-N 3.13Å
2555	R	48.3	Very low	60.1	Low	152 Å²	152	128.2 Å²	128.2	57%	0.574	66%	0.657	S	S	*	*	S	Bend		0	113.3	0	-79	-175.7	176.3	94.3	0.1	109.7	E2551 K2552 K2557	E2551-R2555 PolarHBondContact O-N 3.3Å; E2551-R2555 PolarHBondContact O-NH1 3.37Å; E2551-R2555 IonicContact OE1-CZ 2.71Å; E2551-R2555 IonicContact OE1-NE 3.88Å; E2551-R2555 IonicContact OE1-NH1 3.36Å; E2551-R2555 PolarHBondContact OE1-NH1 3.18Å; E2551-R2555 IonicContact OE1-NH2 3.1Å; E2551-R2555 PolarHBondContact OE1-NH2 3.27Å; E2551-R2555 IonicContact OE2-CZ 2.67Å; E2551-R2555 IonicContact OE2-NH1 2.89Å; E2551-R2555 PolarHBondContact OE2-NH1 2.88Å; E2551-R2555 IonicContact OE2-NH2 2.84Å; E2551-R2555 PolarHBondContact OE2-NH2 3.3Å; K2552-R2555 PolarHBondContact O-N 2.73Å; R2555-K2557 PolarHBondContact O-N 3.26Å
2556	P	47.9	Very low	57.4	Low	117.75 Å²	117.75	128.8 Å²	128.8	77%	0.765	67%	0.671	S	S	*	*			trans	-59.1	0	175.4	-2.1	9.3	0	0	0	110.6	R2554 K2558	R2554-P2556 VanDerWaalsContact O-CD 3.28Å; R2554-P2556 WeakPolarHBondContact O-CD 3.35Å; R2554-P2556 VanDerWaalsContact O-N 3.13Å; P2556-K2558 VanDerWaalsContact C-N 3.25Å; P2556-K2558 PolarHBondContact O-N 3.08Å
2557	K	48.2	Very low	54.8	Low	199.5 Å²	199.5	132.3 Å²	132.3	87%	0.867	69%	0.688	S	S	*	*				0	0	0	-110.5	-179.8	178	175.7	0	110.6	R2555 N2559	R2555-K2557 PolarHBondContact O-N 3.26Å; K2557-N2559 PolarHBondContact O-N 3.14Å; K2557-N2559 PolarHBondContact O-OD1 3Å
2558	K	43.4	Very low	52.2	Low	193.5 Å²	193.5	132.8 Å²	132.8	84%	0.841	70%	0.695	S	S	*	*				0	0	0	-163.7	176	179.2	177.2	0	109.9	P2556 A2560	P2556-K2558 VanDerWaalsContact C-N 3.25Å; P2556-K2558 PolarHBondContact O-N 3.08Å; K2558-A2560 VanDerWaalsContact C-N 3.34Å; K2558-A2560 PolarHBondContact O-N 3.04Å
2559	N	38.3	Very low	49.6	Very low	138.25 Å²	138.25	135.3 Å²	135.3	74%	0.739	72%	0.717	S	S	*	*				0	0	0	-67.9	-12.6	0	0	0	109.8	K2557 S2561	K2557-N2559 PolarHBondContact O-N 3.14Å; K2557-N2559 PolarHBondContact O-OD1 3Å; N2559-S2561 PolarHBondContact O-N 3.06Å
2560	A	36.8	Very low	47	Very low	91.5 Å²	91.5	135.8 Å²	135.8	76%	0.756	73%	0.731	S	S	*	*				0	0	0	0	0	0	0	0	110.6	K2558 V2562	K2558-A2560 VanDerWaalsContact C-N 3.34Å; K2558-A2560 PolarHBondContact O-N 3.04Å; A2560-V2562 VanDerWaalsContact C-N 3.33Å; A2560-V2562 PolarHBondContact O-N 3.05Å
2561	S	36.3	Very low	44.5	Very low	97.5 Å²	97.5	134.4 Å²	134.4	68%	0.682	74%	0.74	S	S	*	*				0	111.8	0	67.5	0	0	0	0	109.5	N2559 S2563	N2559-S2561 PolarHBondContact O-N 3.06Å; S2561-S2563 PolarHBondContact O-N 3.05Å; S2561-S2563 VanDerWaalsContact O-N 3.09Å
2562	V	33.9	Very low	42.3	Very low	133 Å²	133	135.5 Å²	135.5	81%	0.806	75%	0.753	S	S	*	*			trans	-35.8	97.1	166	179.1	0	0	0	0	111.5	A2560 T2564	A2560-V2562 VanDerWaalsContact C-N 3.33Å; A2560-V2562 PolarHBondContact O-N 3.05Å; V2562-T2564 PolarHBondContact O-N 3.26Å
2563	S	34.1	Very low	40.2	Very low	103.75 Å²	103.75	134.3 Å²	134.3	73%	0.726	76%	0.757	S	S	*	*			trans	-87.4	108.7	161.7	-62.9	0	0	0	0	112.6	S2561	S2561-S2563 PolarHBondContact O-N 3.05Å; S2561-S2563 VanDerWaalsContact O-N 3.09Å
2564	T	36.7	Very low	38.5	Very low	124.5 Å²	124.5	132.5 Å²	132.5	76%	0.764	75%	0.751	S	S	*	*			trans	-64.9	0	169.5	40.9	0	0	0	0	111.3	V2562 S2566	V2562-T2564 PolarHBondContact O-N 3.26Å; T2564-S2566 VanDerWaalsContact C-N 3.31Å; T2564-S2566 PolarHBondContact O-N 3.31Å
2565	P	36.1	Very low	37	Very low	121.5 Å²	121.5	130.5 Å²	130.5	79%	0.789	75%	0.75	S	S	*	*				0	95.1	0	30.9	-23.2	0	0	0	110.8	M2567	P2565-M2567 PolarHBondContact O-N 3.11Å
2566	S	32.3	Very low	36.6	Very low	103.25 Å²	103.25	128.7 Å²	128.7	72%	0.722	76%	0.756	S	S	*	*			trans	-76.7	112.9	164.5	113.4	0	0	0	0	109.5	T2564 T2568	T2564-S2566 VanDerWaalsContact C-N 3.31Å; T2564-S2566 PolarHBondContact O-N 3.31Å; S2566-T2568 PolarHBondContact O-N 2.95Å
2567	M	35.3	Very low	36	Very low	167.75 Å²	167.75	129.9 Å²	129.9	83%	0.826	76%	0.756	S	S	*	*			trans	-77.7	104.8	164.4	-80.5	-91.2	86.6	0	0	110.2	P2565 T2569	P2565-M2567 PolarHBondContact O-N 3.11Å; M2567-T2569 PolarHBondContact O-N 3.04Å
2568	T	32.7	Very low	35.5	Very low	123.5 Å²	123.5	126 Å²	126	76%	0.758	75%	0.749	S	S	*	*			trans	-81	123.2	173.3	41	0	0	0	0	111.5	S2566	S2566-T2568 PolarHBondContact O-N 2.95Å
2569	T	33.4	Very low	35.1	Very low	136.5 Å²	136.5	121.9 Å²	121.9	84%	0.837	74%	0.744	S	S	*	*			trans	-89	121.5	166.7	41.3	0	0	0	0	111.1	M2567 T2571	M2567-T2569 PolarHBondContact O-N 3.04Å; T2569-T2571 VanDerWaalsContact C-N 3.31Å; T2569-T2571 PolarHBondContact O-N 3.13Å
2570	S	31	Very low	35	Very low	107.5 Å²	107.5	119.6 Å²	119.6	75%	0.752	75%	0.745	S	S	*	*			trans	-71.1	131.8	167.1	-4.3	0	0	0	0	113.6
2571	T	32.7	Very low	34.7	Very low	126.5 Å²	126.5	121.4 Å²	121.4	78%	0.776	75%	0.746	S	S	*	*			trans	-145	122.7	154	40.6	0	0	0	0	113.7	T2569	T2569-T2571 VanDerWaalsContact C-N 3.31Å; T2569-T2571 PolarHBondContact O-N 3.13Å
2572	T	34.4	Very low	34.5	Very low	118.75 Å²	118.75	122.6 Å²	122.6	73%	0.729	75%	0.75	S	S	*	*				104.5	126.1	121.8	32.6	0	0	0	0	112
2573	T	34.3	Very low	34.4	Very low	112.75 Å²	112.75	122 Å²	122	69%	0.692	75%	0.746	S	S	*	*				92.6	138.7	120.8	42.3	0	0	0	0	113
2574	N	34.8	Very low	34.1	Very low	120.25 Å²	120.25	122.3 Å²	122.3	64%	0.643	75%	0.747	S	S	*	*				154.6	140	57.5	-89.2	-12.1	0	0	0	114.1
2575	H	37.1	Very low	33.9	Very low	151.25 Å²	151.25	121.8 Å²	121.8	70%	0.7	75%	0.749	S	S	*	*				94.4	115.3	124.6	-68.9	-42.9	0	0	0	115.5
2576	T	38.5	Very low	33.6	Very low	114.5 Å²	114.5	119.5 Å²	119.5	70%	0.702	75%	0.746	S	S	*	*				103.1	125.8	111.7	37.3	0	0	0	0	114.5
2577	N	35.7	Very low	33.4	Very low	143.25 Å²	143.25	121.4 Å²	121.4	77%	0.766	75%	0.753	S	S	*	*				131.3	131.6	103	-84.1	-16.2	0	0	0	112.3
2578	T	38.8	Very low	33.1	Very low	116.75 Å²	116.75	121.2 Å²	121.2	72%	0.716	76%	0.755	S	S	*	*			cis	150.5	129.2	41.6	-54.9	0	0	0	0	110.2
2579	S	34.5	Very low	33.1	Very low	106.5 Å²	106.5	119.7 Å²	119.7	75%	0.745	75%	0.749	S	S	*	*				71.5	139.2	124	-1.8	0	0	0	0	115.7
2580	A	35.3	Very low	33.2	Very low	90.75 Å²	90.75	118.9 Å²	118.9	75%	0.75	75%	0.747	S	S	*	*				125.6	124.4	106	0	0	0	0	0	113.3
2581	T	31.8	Very low	33.4	Very low	128.5 Å²	128.5	119.1 Å²	119.1	79%	0.788	74%	0.743	S	S	*	*				18	134.8	82.5	-23.1	0	0	0	0	113.7
2582	V	31.4	Very low	33.4	Very low	124.5 Å²	124.5	118.1 Å²	118.1	76%	0.755	74%	0.74	S	S	*	*				-163.5	131.7	125	162.9	0	0	0	0	110.6
2583	T	31.8	Very low	33.3	Very low	119.5 Å²	119.5	120.2 Å²	120.2	73%	0.733	74%	0.744	S	S	*	*			trans	146.5	138.3	147.2	46.2	0	0	0	0	114
2584	C	28.2	Very low	33.3	Very low	109.25 Å²	109.25	121.1 Å²	121.1	74%	0.738	75%	0.745	S	S	*	*				-166.4	157.2	66.3	-94.9	0	0	0	0	110.2
2585	S	31.1	Very low	33.3	Very low	115.5 Å²	115.5	122 Å²	122	81%	0.808	75%	0.749	S	S	*	*			trans	48.2	119.6	150.7	-56.4	0	0	0	0	116.6
2586	G	29.9	Very low	33.3	Very low	71.75 Å²	71.75	120.1 Å²	120.1	74%	0.74	75%	0.75	S	S	*	*			trans	163.3	117.5	145.3	0	0	0	0	0	111.5	L2588	G2586-L2588 PolarHBondContact O-N 3.34Å
2587	V	28.3	Very low	32.9	Very low	143 Å²	143	121.1 Å²	121.1	87%	0.867	75%	0.751	S	S	*	*			trans	-19.6	121.4	159.3	-166.7	0	0	0	0	111.3
2588	L	30.5	Very low	32.8	Very low	163.75 Å²	163.75	122 Å²	122	86%	0.857	75%	0.754	S	S	*	*			trans	-177.5	133.6	158.3	-95.4	152.1	0	0	0	113.8	G2586	G2586-L2588 PolarHBondContact O-N 3.34Å
2589	S	30.7	Very low	32.6	Very low	92 Å²	92	120 Å²	120	64%	0.643	75%	0.75	S	S	*	*			trans	-37.7	151.6	148.6	147	0	0	0	0	112.3	T2591	S2589-T2591 WeakPolarHBondContact CB-OG1 3.36Å; S2589-T2591 PolarHBondContact O-N 3.49Å; S2589-T2591 PolarHBondContact O-OG1 3.08Å; S2589-T2591 WeakPolarHBondContact OG-CA 3.32Å; S2589-T2591 PolarHBondContact OG-N 3.21Å; S2589-T2591 PolarHBondContact OG-OG1 3.05Å
2590	P	37.1	Very low	32.6	Very low	120.25 Å²	120.25	120.7 Å²	120.7	78%	0.781	75%	0.752	S	S	*	*				-121.2	133.1	102.4	35.9	-19.2	0	0	0	112.8
2591	T	33.6	Very low	32.6	Very low	111 Å²	111	123.8 Å²	123.8	68%	0.681	75%	0.754	S	S	*	*			trans	-53	145.8	154.8	-1.7	0	0	0	0	111.4	S2589 I2593	S2589-T2591 WeakPolarHBondContact CB-OG1 3.36Å; S2589-T2591 PolarHBondContact O-N 3.49Å; S2589-T2591 PolarHBondContact O-OG1 3.08Å; S2589-T2591 WeakPolarHBondContact OG-CA 3.32Å; S2589-T2591 PolarHBondContact OG-N 3.21Å; S2589-T2591 PolarHBondContact OG-OG1 3.05Å; T2591-I2593 PolarHBondContact O-N 3.26Å
2592	P	32.9	Very low	32.8	Very low	107.25 Å²	107.25	122.7 Å²	122.7	70%	0.696	75%	0.749	S	S	*	*			trans	-87	137.5	169.2	32.7	-24.5	0	0	0	115.4	N2594	P2592-N2594 PolarHBondContact O-ND2 2.77Å
2593	I	34.1	Very low	32.8	Very low	162 Å²	162	121.5 Å²	121.5	83%	0.831	75%	0.752	S	S	*	*			trans	-107.8	0	154.3	-67.6	166.4	0	0	0	111.3	T2591 L2595	T2591-I2593 PolarHBondContact O-N 3.26Å; I2593-L2595 HydrophobicContact CG2-CD1 3.77Å
2594	N	32.6	Very low	32.8	Very low	131.75 Å²	131.75	119.8 Å²	119.8	71%	0.705	75%	0.75	S	S	*	*				0	115	0	-118.9	-47.8	0	0	0	111.9	P2592	P2592-N2594 PolarHBondContact O-ND2 2.77Å
2595	L	34.5	Very low	32.9	Very low	139.75 Å²	139.75	121.5 Å²	121.5	73%	0.732	75%	0.752	S	S	*	*				66.5	158.6	125.4	-89.2	106	0	0	0	115.1	I2593 N2597	I2593-L2595 HydrophobicContact CG2-CD1 3.77Å; L2595-N2597 HydrophobicContact CD2-CB 4.17Å
2596	P	37.1	Very low	32.8	Very low	110 Å²	110	120.7 Å²	120.7	71%	0.714	74%	0.742	S	S	*	*			cis	-128.5	150.3	18.5	37.1	-22.6	0	0	0	115.5
2597	N	30.4	Very low	32.9	Very low	136 Å²	136	124.2 Å²	124.2	73%	0.727	74%	0.743	S	S	*	*				94.1	102.1	107	-126.7	11.5	0	0	0	114.5	L2595	L2595-N2597 HydrophobicContact CD2-CB 4.17Å
2598	I	34.9	Very low	32.9	Very low	161.75 Å²	161.75	125.2 Å²	125.2	83%	0.829	74%	0.735	S	S	*	*				-145.5	133.6	125.7	-79.9	152.2	0	0	0	110.6
2599	A	34.3	Very low	32.9	Very low	76.25 Å²	76.25	121.7 Å²	121.7	63%	0.63	72%	0.723	S	S	*	*			cis	-153.8	159.1	19.8	0	0	0	0	0	109.7
2600	P	33.4	Very low	32.7	Very low	120.75 Å²	120.75	122.1 Å²	122.1	78%	0.784	73%	0.726	S	S	*	*			trans	-111.6	139.3	-174.6	35.4	-19.3	0	0	0	114.8
2601	I	36.7	Very low	32.2	Very low	156.333 Å²	156.333	121 Å²	121	80%	0.802	72%	0.721	S	S	*	*			trans	-71.8	140.8	162.4	-65.9	169.1	0	0	0	112.4	A2603	I2601-A2603 HydrophobicContact CG2-CB 4.06Å
2602	P	35.1	Very low	31.9	Very low	105 Å²	105	121.4 Å²	121.4	68%	0.682	72%	0.723	S	S	*	*			trans	-94.9	0	166.1	21.8	-3.1	0	0	0	111.7	A2604	P2602-A2604 HydrophobicContact CB-CB 4.02Å; P2602-A2604 HydrophobicContact CG-CB 4.41Å; P2602-A2604 PolarHBondContact O-N 2.92Å
2603	A	30.7	Very low	31.7	Very low	99.3333 Å²	99.3333	121.8 Å²	121.8	82%	0.821	72%	0.723	S	S	*	*				0	112.7	0	0	0	0	0	0	113.6	I2601	I2601-A2603 HydrophobicContact CG2-CB 4.06Å
2604	A	31.7	Very low	31.3	Very low	82.3333 Å²	82.3333	120.3 Å²	120.3	68%	0.68	72%	0.716	S	S	*	*			trans	-153.5	138.6	151.7	0	0	0	0	0	113.1	P2602	P2602-A2604 HydrophobicContact CB-CB 4.02Å; P2602-A2604 HydrophobicContact CG-CB 4.41Å; P2602-A2604 PolarHBondContact O-N 2.92Å
2605	D	30.6	Very low	31.4	Very low	146 Å²	146	120.4 Å²	120.4	78%	0.781	72%	0.716	S	S	*	*				79.6	134.2	91.4	-91.7	-13.8	0	0	0	114.7
2606	V	28.7	Very low	31.1	Very low	98 Å²	98	118.9 Å²	118.9	59%	0.594	71%	0.708	S	S	*	*				105.9	121.8	52.6	156	0	0	0	0	111.6
2607	L	32.1	Very low	30.9	Very low	145 Å²	145	119 Å²	119	76%	0.759	70%	0.703	S	S	*	*			trans	81.4	0	163	-70	166.9	0	0	0	113.4	L2287	L2287-L2607 HydrophobicContact CB-CB 4.26Å
2608	K	28.7	Very low	30.9	Very low	163.667 Å²	163.667	120.1 Å²	120.1	71%	0.712	70%	0.701	S	S	*	*				0	170.8	0	-146.8	-172.8	178.1	-175.4	0	113.3	L2287	L2287-K2608 WeakPolarHBondContact CD2-O 3.35Å
2609	P	31.6	Very low	30.6	Very low	91 Å²	91	118.9 Å²	118.9	59%	0.591	70%	0.697	S	S	*	*			cis	-153.1	177	23	36.8	-12.6	0	0	0	113.9	P2288	P2288-P2609 VanDerWaalsContact O-CD 3.31Å; P2288-P2609 WeakPolarHBondContact O-CD 3.42Å
2610	S	26.8	Very low	30.3	Very low	101.333 Å²	101.333	120.8 Å²	120.8	71%	0.709	70%	0.7	S	S	*	*			trans	80.4	118.9	131.3	-99.8	0	0	0	0	118.7
2611	S	26.1	Very low	30.2	Very low	97 Å²	97	120.3 Å²	120.3	68%	0.678	70%	0.695	S	S	*	*				133.3	155	90	71.9	0	0	0	0	113.9	V2613	S2611-V2613 PolarHBondContact O-N 3.36Å
2612	V	26.6	Very low	30	Very low	118.667 Å²	118.667	118.7 Å²	118.7	72%	0.719	69%	0.693	S	S	*	*				52.1	114.1	128.8	176.1	0	0	0	0	112.3	N2614	V2612-N2614 HydrophobicContact CG1-CB 4.11Å
2613	V	29	Very low	29.8	Very low	115.333 Å²	115.333	118.7 Å²	118.7	70%	0.699	69%	0.693	S	S	*	*				-163.1	139.7	62.5	138.8	0	0	0	0	108	S2611 I2615	S2611-V2613 PolarHBondContact O-N 3.36Å; V2613-I2615 HydrophobicContact CG1-CD1 3.89Å; V2613-I2615 HydrophobicContact CG1-CG1 4.25Å
2614	N	26.7	Very low	29.7	Very low	130.333 Å²	130.333	121.8 Å²	121.8	70%	0.697	69%	0.692	S	S	*	*				69.3	131.9	105.5	-124.1	3	0	0	0	113.6	V2612	V2612-N2614 HydrophobicContact CG1-CB 4.11Å
2615	I	33.1	Very low	29.4	Very low	134 Å²	134	123.2 Å²	123.2	69%	0.687	70%	0.696	S	S	*	*			trans	161.4	111.6	140.9	-84.8	167.8	0	0	0	109	V2613	V2613-I2615 HydrophobicContact CG1-CD1 3.89Å; V2613-I2615 HydrophobicContact CG1-CG1 4.25Å
2616	D	29.7	Very low	29.3	Very low	108 Å²	108	122.5 Å²	122.5	58%	0.578	70%	0.696	S	S	*	*				62.4	125	110.1	-92.1	-9.7	0	0	0	114	K2618	D2616-K2618 VanDerWaalsContact CG-CE 3.5Å; D2616-K2618 WeakPolarHBondContact OD1-CE 3.48Å; D2616-K2618 IonicContact OD1-NZ 2.69Å; D2616-K2618 PolarHBondContact OD1-NZ 3.17Å; D2616-K2618 VanDerWaalsContact OD1-NZ 3.11Å; D2616-K2618 IonicContact OD2-NZ 3.47Å; D2616-K2618 PolarHBondContact OD2-NZ 3.34Å
2617	N	31.1	Very low	29.3	Very low	113.667 Å²	113.667	122 Å²	122	61%	0.608	70%	0.703	S	S	*	*				177.5	129	56.4	-97.7	-38	0	0	0	109.6
2618	K	31	Very low	29.2	Very low	158 Å²	158	122.3 Å²	122.3	69%	0.687	71%	0.705	S	S	*	*				66.6	113.2	117.5	-58.5	-175	-171.7	164.3	0	110.9	D2616	D2616-K2618 VanDerWaalsContact CG-CE 3.5Å; D2616-K2618 WeakPolarHBondContact OD1-CE 3.48Å; D2616-K2618 IonicContact OD1-NZ 2.69Å; D2616-K2618 PolarHBondContact OD1-NZ 3.17Å; D2616-K2618 VanDerWaalsContact OD1-NZ 3.11Å; D2616-K2618 IonicContact OD2-NZ 3.47Å; D2616-K2618 PolarHBondContact OD2-NZ 3.34Å
2619	N	29.8	Very low	29.2	Very low	137.333 Å²	137.333	121.6 Å²	121.6	73%	0.734	71%	0.709	S	S	*	*				-177.3	136.7	63.8	-102.6	7.8	0	0	0	110.3
2620	V	28.1	Very low	29	Very low	115.667 Å²	115.667	121.7 Å²	121.7	70%	0.701	71%	0.712	S	S	*	*				61	106.7	102.6	178.3	0	0	0	0	111.3
2621	T	31.2	Very low	29	Very low	111.333 Å²	111.333	123.8 Å²	123.8	68%	0.683	71%	0.714	S	S	*	*				170.9	0	68.9	-73.4	0	0	0	0	111.1
2622	T	31.1	Very low	29.2	Very low	122.667 Å²	122.667	124.9 Å²	124.9	75%	0.753	72%	0.716	S	S	*	*				0	147.4	0	46.1	0	0	0	0	110.7
2623	P	31	Very low	29.2	Very low	104 Å²	104	124.7 Å²	124.7	68%	0.675	72%	0.715	S	S	*	*				-154.6	161	67.5	41.2	-21.1	0	0	0	113.6
2624	M	28.1	Very low	29.1	Very low	164 Å²	164	126.6 Å²	126.6	81%	0.808	72%	0.716	S	S	*	*				71.7	121.3	98.4	-80.3	-105.8	-86.9	0	0	114.6
2625	C	27.1	Very low	29.2	Very low	112 Å²	112	126.8 Å²	126.8	76%	0.757	72%	0.717	S	S	*	*			trans	148.2	118.5	132.3	-79.8	0	0	0	0	110.3
2626	V	28.3	Very low	29	Very low	130.667 Å²	130.667	124.2 Å²	124.2	79%	0.792	71%	0.711	S	S	*	*				87.6	114.9	52.5	-177.3	0	0	0	0	111.7
2627	A	28.3	Very low	29	Very low	88.6667 Å²	88.6667	128.3 Å²	128.3	73%	0.733	72%	0.724	S	S	*	*			trans	133.4	113.5	144.5	0	0	0	0	0	110
2628	N	30.2	Very low	28.8	Very low	150.333 Å²	150.333	127.9 Å²	127.9	80%	0.804	73%	0.73	S	S	*	*				38.3	101.9	60.5	-80.4	2.3	0	0	0	114.2
2629	N	28.2	Very low	28.7	Very low	149 Å²	149	125.1 Å²	125.1	80%	0.797	73%	0.73	S	S	*	*			trans	-176.5	114.2	130.1	-87.1	-16.2	0	0	0	107.9
2630	S	27.6	Very low	28.8	Very low	93.6667 Å²	93.6667	125.6 Å²	125.6	66%	0.655	73%	0.731	S	S	*	*				66.8	74.3	69.3	163	0	0	0	0	113.1
2631	I	27.8	Very low	28.9	Very low	145 Å²	145	124.9 Å²	124.9	74%	0.744	73%	0.728	S	S	*	*			trans	-163	0	153	-57.8	175.7	0	0	0	106	V2633	I2631-V2633 HydrophobicContact CG2-CG2 4.18Å
2632	V	28.6	Very low	28.9	Very low	120.667 Å²	120.667	127.6 Å²	127.6	73%	0.731	73%	0.73	S	S	*	*				0	77	0	-168.5	0	0	0	0	112.8
2633	V	27.8	Very low	28.8	Very low	113.667 Å²	113.667	126.9 Å²	126.9	69%	0.689	72%	0.722	S	S	*	*			trans	-167.2	100.2	149.2	178.2	0	0	0	0	105.7	I2631	I2631-V2633 HydrophobicContact CG2-CG2 4.18Å
2634	Q	26.3	Very low	28.6	Very low	155.333 Å²	155.333	126.3 Å²	126.3	73%	0.726	72%	0.715	S	S	*	*				74.5	113.4	86.8	-96.2	-170	-41.3	0	0	113.3
2635	D	28.3	Very low	28.7	Very low	135.333 Å²	135.333	125 Å²	125	72%	0.724	71%	0.712	S	S	*	*			trans	145.8	106	139.2	-85	-32.9	0	0	0	112.1
2636	S	28.7	Very low	28.8	Very low	78.3333 Å²	78.3333	124.6 Å²	124.6	55%	0.548	71%	0.71	S	S	.	*				89.1	103.6	66.7	-57.9	0	0	0	0	112.5
2637	F	29.6	Very low	29.1	Very low	195 Å²	195	124 Å²	124	86%	0.855	71%	0.709	S	S	*	*				-155.8	0	101.4	-72.7	-80.1	0	0	0	110.6
2638	S	27.6	Very low	29.2	Very low	105 Å²	105	126.9 Å²	126.9	73%	0.734	71%	0.712	S	S	*	*				0	96.1	0	35.3	0	0	0	0	114.9
2639	S	29.6	Very low	29.6	Very low	99.6667 Å²	99.6667	124.3 Å²	124.3	70%	0.697	70%	0.704	S	S	*	*				138.7	105.3	107.2	138	0	0	0	0	112
2640	I	30.8	Very low	29.6	Very low	146.667 Å²	146.667	125.8 Å²	125.8	75%	0.752	71%	0.706	S	S	*	*				102.9	120.2	102.3	-71.5	163.1	0	0	0	110.8
2641	V	30.4	Very low	29.6	Very low	102.667 Å²	102.667	126.4 Å²	126.4	62%	0.622	71%	0.71	S	S	*	*			cis	117.7	112.2	34	165	0	0	0	0	112.1
2642	K	30.8	Very low	29.8	Very low	166.667 Å²	166.667	123.9 Å²	123.9	73%	0.725	71%	0.711	S	S	*	*				83.1	139.3	123.6	-71.5	162.1	-170.9	178.4	0	112.6	A2394	A2394-K2642 CarbonylContact O-C 3.57Å
2643	N	28.8	Very low	29.8	Very low	109.333 Å²	109.333	125.4 Å²	125.4	59%	0.585	72%	0.715	S	S	*	*			cis	129.4	112.5	41.8	-105.7	-1.7	0	0	0	113.4	L2392 R2393 A2394	L2392-N2643 PolarHBondContact O-ND2 2.81Å; R2393-N2643 VanDerWaalsContact CB-OD1 3.32Å; R2393-N2643 WeakPolarHBondContact CB-OD1 3.38Å; R2393-N2643 PolarHBondContact N-ND2 2.9Å; R2393-N2643 PolarHBondContact N-OD1 2.84Å; R2393-N2643 PolarHBondContact O-N 3.49Å; A2394-N2643 CarbonylContact O-C 3.52Å; A2394-N2643 VanDerWaalsContact O-C 3.23Å; A2394-N2643 VanDerWaalsContact O-CA 3.27Å; A2394-N2643 WeakPolarHBondContact O-CA 3.1Å; A2394-N2643 PolarHBondContact O-N 3.44Å
2644	V	28.1	Very low	30	Very low	90 Å²	90	125.6 Å²	125.6	55%	0.545	72%	0.716	S	S	.	*				54.8	116.9	109.6	172.9	0	0	0	0	116.9	R2393 A2394 D2395	R2393-V2644 HydrophobicContact CB-CG2 3.47Å; R2393-V2644 VanDerWaalsContact CB-CG2 3.47Å; R2393-V2644 VanDerWaalsContact CD-CG2 3.43Å; R2393-V2644 HydrophobicContact CG-CG2 3.4Å; R2393-V2644 VanDerWaalsContact CZ-CG2 3.48Å; A2394-V2644 PolarHBondContact O-N 3Å; D2395-V2644 WeakPolarHBondContact OD2-CA 3.49Å; D2395-V2644 PolarHBondContact OD2-N 2.88Å
2645	N	29.1	Very low	30.2	Very low	136.667 Å²	136.667	123.2 Å²	123.2	73%	0.731	72%	0.717	S	S	*	*			trans	156.8	110.1	134.6	-91.6	-9.5	0	0	0	115.6
2646	S	30.7	Very low	30.3	Very low	103.667 Å²	103.667	124.8 Å²	124.8	73%	0.725	72%	0.72	S	S	*	*				-23.1	155.3	127.5	-24.8	0	0	0	0	115.1
2647	P	34.4	Very low	30.7	Very low	117.667 Å²	117.667	126.5 Å²	126.5	76%	0.764	73%	0.729	S	S	*	*				-155.6	152	59.9	36	-13.5	0	0	0	116.1
2648	N	30.9	Very low	31.1	Very low	151.333 Å²	151.333	121.6 Å²	121.6	81%	0.809	72%	0.717	S	S	*	*			trans	14.4	148.2	142.6	-140.7	19.3	0	0	0	115.3
2649	P	36.8	Very low	31.3	Very low	96 Å²	96	123.5 Å²	123.5	62%	0.623	72%	0.717	S	S	*	*				-150.2	163.9	100.6	41.2	-22.3	0	0	0	115.3
2650	Q	28.5	Very low	31.3	Very low	179.667 Å²	179.667	124.7 Å²	124.7	84%	0.84	72%	0.72	S	S	*	*			trans	109.1	0	142.7	-95.8	173.2	6.5	0	0	114.4
2651	S	28	Very low	31.2	Very low	107 Å²	107	122.5 Å²	122.5	75%	0.748	72%	0.718	S	S	*	*				0	132.7	0	45.3	0	0	0	0	114
2652	A	31	Very low	31.3	Very low	92.3333 Å²	92.3333	122.6 Å²	122.6	76%	0.763	72%	0.723	S	S	*	*			trans	104.6	129.3	136.2	0	0	0	0	0	112.8
2653	N	30.3	Very low	31.3	Very low	150.667 Å²	150.667	122.7 Å²	122.7	81%	0.806	73%	0.726	S	S	*	*			trans	-165.2	139.6	136	-130.8	-4.2	0	0	0	110.8
2654	V	30.4	Very low	31.6	Very low	119 Å²	119	122 Å²	122	72%	0.721	73%	0.727	S	S	*	*			trans	69.4	107.9	136.1	-178.8	0	0	0	0	115.3
2655	S	31.5	Very low	31.6	Very low	104.333 Å²	104.333	125.1 Å²	125.1	73%	0.73	74%	0.736	S	S	*	*				150.7	0	87.5	-80.4	0	0	0	0	115.1
2656	E	30.7	Very low	31.4	Very low	170 Å²	170	125.9 Å²	125.9	79%	0.794	74%	0.735	S	S	*	*				0	157.2	0	-101.1	-165.9	136.3	0	0	117.3
2657	P	37	Very low	31.2	Very low	112.333 Å²	112.333	127.1 Å²	127.1	73%	0.729	73%	0.733	S	S	*	*			cis	-125.7	-174.3	17	30.8	-5.7	0	0	0	115.1
2658	P	38.5	Very low	30.9	Very low	93.3333 Å²	93.3333	127.2 Å²	127.2	61%	0.606	73%	0.731	S	S	*	*			trans	-95.2	167.5	-167.6	37.2	-16.7	0	0	0	113.9
2659	I	30.3	Very low	30.8	Very low	144.333 Å²	144.333	125.1 Å²	125.1	74%	0.74	72%	0.723	S	S	*	*			trans	120.3	119.7	144.3	-23.4	166.3	0	0	0	113.4
2660	T	30.2	Very low	30.4	Very low	125.333 Å²	125.333	125.5 Å²	125.5	77%	0.769	73%	0.728	S	S	*	*			trans	79.4	136.2	144.2	52.6	0	0	0	0	117.5
2661	S	28.6	Very low	30.4	Very low	99.3333 Å²	99.3333	121.3 Å²	121.3	70%	0.695	72%	0.724	S	S	*	*			cis	163.9	136.1	28.1	56.9	0	0	0	0	112
2662	S	32.2	Very low	30.5	Very low	105.667 Å²	105.667	121.4 Å²	121.4	74%	0.739	73%	0.725	S	S	*	*			trans	87.2	0	139.1	67.6	0	0	0	0	115.5
2663	H	30.8	Very low	30.5	Very low	169 Å²	169	122.6 Å²	122.6	78%	0.782	72%	0.723	S	S	*	*				0	147.2	0	-127	-25.7	0	0	0	110.8
2664	P	35	Very low	30.4	Very low	93.6667 Å²	93.6667	123.2 Å²	123.2	61%	0.608	72%	0.721	S	S	*	*				-137.4	151.2	76.7	41.3	-25.9	0	0	0	111.9
2665	Q	27.5	Very low	30.5	Very low	156.667 Å²	156.667	125.6 Å²	125.6	73%	0.732	72%	0.724	S	S	*	*				115.6	131.8	117.3	-81.7	178.7	3.3	0	0	113.1
2666	Q	26.6	Very low	30.2	Very low	152 Å²	152	127.5 Å²	127.5	71%	0.71	73%	0.726	S	S	*	*				130.9	128.1	98.9	-119	-177.1	8.6	0	0	115.1
2667	L	26.1	Very low	30.1	Very low	129.333 Å²	129.333	126.8 Å²	126.8	68%	0.677	73%	0.727	S	S	*	*				80.4	120.8	107.3	-132	85	0	0	0	115.4	V2669	L2667-V2669 HydrophobicContact CD1-CG2 3.63Å; L2667-V2669 HydrophobicContact CD2-CB 4.48Å; L2667-V2669 HydrophobicContact CD2-CG2 4.02Å; L2667-V2669 HydrophobicContact CG-CB 3.95Å; L2667-V2669 HydrophobicContact CG-CG2 3.47Å; L2667-V2669 VanDerWaalsContact CG-CG2 3.47Å
2668	V	28.3	Very low	29.5	Very low	119.667 Å²	119.667	131 Å²	131	73%	0.725	73%	0.73	S	S	*	*				160	110.4	101.7	151.7	0	0	0	0	113.7
2669	V	28.8	Very low	29.1	Very low	107.333 Å²	107.333	132.4 Å²	132.4	65%	0.651	74%	0.736	S	S	*	*				74.8	102.4	96.8	163.9	0	0	0	0	115	L2667	L2667-V2669 HydrophobicContact CD1-CG2 3.63Å; L2667-V2669 HydrophobicContact CD2-CB 4.48Å; L2667-V2669 HydrophobicContact CD2-CG2 4.02Å; L2667-V2669 HydrophobicContact CG-CB 3.95Å; L2667-V2669 HydrophobicContact CG-CG2 3.47Å; L2667-V2669 VanDerWaalsContact CG-CG2 3.47Å
2670	S	27.2	Very low	29.2	Very low	104 Å²	104	130.6 Å²	130.6	73%	0.727	73%	0.734	S	S	*	*				86.9	0	122.1	-54.1	0	0	0	0	117.2
2671	A	29.7	Very low	29	Very low	91 Å²	91	127.9 Å²	127.9	75%	0.752	73%	0.731	S	S	*	*				0	0	0	0	0	0	0	0	114.3
2672	S	29	Very low	28.9	Very low	109.667 Å²	109.667	129 Å²	129	77%	0.767	74%	0.737	S	S	*	*				0	145.1	0	-103.1	0	0	0	0	112.8
2673	T	31.1	Very low	28.8	Very low	117.333 Å²	117.333	130.6 Å²	130.6	72%	0.72	74%	0.738	S	S	*	*				139.6	0	93.6	-65.7	0	0	0	0	111.7
2674	E	28.8	Very low	28.7	Very low	163 Å²	163	130 Å²	130	76%	0.762	74%	0.741	S	S	*	*				0	0	0	-90.4	-176.9	-170	0	0	114.9
2675	Q	31.9	Very low	28.4	Very low	170 Å²	170	132.7 Å²	132.7	79%	0.794	75%	0.749	S	S	*	*				0	0	0	-74.7	-179.2	25.7	0	0	116.7
2676	N	26.3	Very low	28.6	Very low	144.333 Å²	144.333	131.3 Å²	131.3	77%	0.772	75%	0.751	S	S	*	*				0	0	0	-106.8	-35.7	0	0	0	115.1
2677	L	27.4	Very low	28.8	Very low	155 Å²	155	131.2 Å²	131.2	81%	0.812	76%	0.756	S	S	*	*				0	0	0	-87.4	96.7	0	0	0	115.5
2678	Y	26	Very low	29.2	Very low	200.333 Å²	200.333	131.7 Å²	131.7	79%	0.786	76%	0.759	S	S	*	*				0	102.1	0	-153.3	-101.8	0	0	0	113.9	P2680	Y2678-P2680 HydrophobicContact CD1-CG 3.4Å; Y2678-P2680 VanDerWaalsContact CD1-CG 3.4Å; Y2678-P2680 HydrophobicContact CE1-CB 4.44Å; Y2678-P2680 HydrophobicContact CE1-CG 2.93Å; Y2678-P2680 HydrophobicContact CE2-CG 4.31Å; Y2678-P2680 HydrophobicContact CG-CG 4.24Å; Y2678-P2680 VanDerWaalsContact CZ-CG 3.47Å
2679	V	30.4	Very low	29.4	Very low	122.667 Å²	122.667	134.1 Å²	134.1	74%	0.743	77%	0.766	S	S	*	*			trans	29.9	0	136.1	178.6	0	0	0	0	116
2680	P	31.1	Very low	30.1	Very low	108 Å²	108	136.2 Å²	136.2	70%	0.701	77%	0.768	S	S	*	*				0	139.7	0	33.1	-16.7	0	0	0	113.8	Y2678	Y2678-P2680 HydrophobicContact CD1-CG 3.4Å; Y2678-P2680 VanDerWaalsContact CD1-CG 3.4Å; Y2678-P2680 HydrophobicContact CE1-CB 4.44Å; Y2678-P2680 HydrophobicContact CE1-CG 2.93Å; Y2678-P2680 HydrophobicContact CE2-CG 4.31Å; Y2678-P2680 HydrophobicContact CG-CG 4.24Å; Y2678-P2680 VanDerWaalsContact CZ-CG 3.47Å
2681	G	26.9	Very low	30.8	Very low	67.6667 Å²	67.6667	134.4 Å²	134.4	70%	0.698	76%	0.756	S	S	*	*			trans	178.7	110.6	147.6	0	0	0	0	0	110.8	N2683	G2681-N2683 VanDerWaalsContact C-N 3.28Å; G2681-N2683 PolarHBondContact O-N 3.31Å
2682	C	26.5	Very low	32	Very low	122.667 Å²	122.667	136.7 Å²	136.7	83%	0.829	75%	0.745	S	S	*	*			trans	-70.4	0	162.9	-58.3	0	0	0	0	111.5
2683	N	29.3	Very low	34	Very low	140 Å²	140	135 Å²	135	75%	0.749	73%	0.727	S	S	*	*				0	120.6	0	-66.3	-25.2	0	0	0	110.6	G2681 L2685	G2681-N2683 VanDerWaalsContact C-N 3.28Å; G2681-N2683 PolarHBondContact O-N 3.31Å; N2683-L2685 HydrophobicContact CB-CD1 3.75Å
2684	N	29	Very low	36	Very low	156.667 Å²	156.667	131.1 Å²	131.1	84%	0.838	70%	0.704	S	S	*	*			trans	44.5	0	139.6	-71.8	-21.9	0	0	0	112.6
2685	L	29.1	Very low	38.3	Very low	149.333 Å²	149.333	127 Å²	127	78%	0.782	69%	0.69	S	S	*	*				0	0	0	-126.1	80.2	0	0	0	109	N2683	N2683-L2685 HydrophobicContact CB-CD1 3.75Å
2686	T	31	Very low	40.5	Very low	128.333 Å²	128.333	122.6 Å²	122.6	79%	0.787	67%	0.672	S	S	*	*				0	0	0	-11.8	0	0	0	0	110.1
2687	D	30.5	Very low	43.2	Very low	148.667 Å²	148.667	120.8 Å²	120.8	80%	0.795	66%	0.659	S	S	*	*				0	101.7	0	-64.3	-39.5	0	0	0	113.2
2688	D	34.4	Very low	45.8	Very low	139.333 Å²	139.333	114.7 Å²	114.7	75%	0.745	63%	0.629	S	S	*	*			trans	102.6	88.1	141.8	-95.8	-23.9	0	0	0	113.4	H2690	D2688-H2690 PolarHBondContact O-N 3.24Å; D2688-H2690 VanDerWaalsContact O-N 3.15Å; D2688-H2690 IonicContact OD1-CD2 3.95Å; D2688-H2690 PolarHBondContact OD1-CD2 3.47Å; D2688-H2690 IonicContact OD1-CE1 2.61Å; D2688-H2690 IonicContact OD1-NE2 3.95Å; D2688-H2690 PolarHBondContact OD1-NE2 2.91Å; D2688-H2690 IonicContact OD2-CD2 2.89Å; D2688-H2690 PolarHBondContact OD2-CD2 2.56Å; D2688-H2690 IonicContact OD2-NE2 3.63Å; D2688-H2690 PolarHBondContact OD2-NE2 2.79Å
2689	I	33.8	Very low	48.5	Very low	170 Å²	170	109.3 Å²	109.3	87%	0.872	61%	0.612	S	S	*	*			trans	-66.7	0	167.1	-53.1	175.8	0	0	0	109.9	S2691	I2689-S2691 PolarHBondContact O-N 3.13Å
2690	H	43.1	Very low	51	Low	152 Å²	152	106.7 Å²	106.7	70%	0.704	59%	0.592	S	S	*	*				0	97.9	0	-81.1	-70.8	0	0	0	110.5	D2688 R2692	D2688-H2690 PolarHBondContact O-N 3.24Å; D2688-H2690 VanDerWaalsContact O-N 3.15Å; D2688-H2690 IonicContact OD1-CD2 3.95Å; D2688-H2690 PolarHBondContact OD1-CD2 3.47Å; D2688-H2690 IonicContact OD1-CE1 2.61Å; D2688-H2690 IonicContact OD1-NE2 3.95Å; D2688-H2690 PolarHBondContact OD1-NE2 2.91Å; D2688-H2690 IonicContact OD2-CD2 2.89Å; D2688-H2690 PolarHBondContact OD2-CD2 2.56Å; D2688-H2690 IonicContact OD2-NE2 3.63Å; D2688-H2690 PolarHBondContact OD2-NE2 2.79Å; H2690-R2692 PolarHBondContact O-N 3.08Å; H2690-R2692 VanDerWaalsContact O-N 3.07Å
2691	S	42.1	Very low	53.6	Low	67.3333 Å²	67.3333	102.8 Å²	102.8	47%	0.471	57%	0.569	S	S	.	*			trans	-50.2	77.8	164.6	179.7	0	0	0	0	111.2	I2689 D2693 N2724 G2725	I2689-S2691 PolarHBondContact O-N 3.13Å; S2691-D2693 PolarHBondContact O-N 3Å; S2691-N2724 WeakPolarHBondContact OG-CB 3.41Å; S2691-N2724 PolarHBondContact OG-O 2.89Å; S2691-G2725 WeakPolarHBondContact CB-O 3.46Å; S2691-G2725 PolarHBondContact OG-O 3.32Å
2692	R	54.7	Low	56.5	Low	137.333 Å²	137.333	103.7 Å²	103.7	52%	0.518	56%	0.56	S	S	.	*			trans	-74.8	135.2	173	-87	-172.9	164.2	174.6	-11.7	111	H2690 D2696 E2700	H2690-R2692 PolarHBondContact O-N 3.08Å; H2690-R2692 VanDerWaalsContact O-N 3.07Å; R2692-D2696 HydrophobicContact CB-CB 4.31Å; R2692-D2696 HydrophobicContact CG-CB 4.39Å; R2692-E2700 WeakPolarHBondContact CD-OE1 3.09Å; R2692-E2700 VanDerWaalsContact CZ-CD 3.48Å; R2692-E2700 CovalentContact CZ-OE1 1.74Å; R2692-E2700 IonicContact CZ-OE1 3.01Å; R2692-E2700 IonicContact CZ-OE2 3Å; R2692-E2700 VanDerWaalsContact NE-CD 3.35Å; R2692-E2700 IonicContact NE-OE1 2.7Å; R2692-E2700 PolarHBondContact NE-OE1 2.92Å; R2692-E2700 IonicContact NE-OE2 3.93Å; R2692-E2700 VanDerWaalsContact NH1-CD 3.29Å; R2692-E2700 IonicContact NH1-OE1 2.87Å; R2692-E2700 PolarHBondContact NH1-OE1 3.23Å; R2692-E2700 VanDerWaalsContact NH1-OE1 3.07Å; R2692-E2700 CovalentContact NH1-OE2 1.71Å; R2692-E2700 IonicContact NH1-OE2 3.37Å; R2692-E2700 PolarHBondContact NH1-OE2 3.26Å; R2692-E2700 IonicContact NH2-OE1 2.92Å; R2692-E2700 PolarHBondContact NH2-OE1 2.92Å; R2692-E2700 IonicContact NH2-OE2 3.06Å
2693	D	70.2	Confident	59.3	Low	75 Å²	75	103.1 Å²	103.1	40%	0.401	55%	0.553	S	S	.	*			trans	-57.5	132.6	168.7	-166	-40.4	0	0	0	109.6	S2691 V2695 D2696 E2697	S2691-D2693 PolarHBondContact O-N 3Å; D2693-V2695 PolarHBondContact O-N 2.83Å; D2693-V2695 VanDerWaalsContact O-N 3.13Å; D2693-V2695 VanDerWaalsContact OD1-CB 3.25Å; D2693-V2695 WeakPolarHBondContact OD1-CB 3.4Å; D2693-V2695 VanDerWaalsContact OD1-CG2 3.3Å; D2693-V2695 WeakPolarHBondContact OD1-CG2 3.17Å; D2693-V2695 PolarHBondContact OD1-N 2.98Å; D2693-D2696 HydrophobicContact CB-CB 4.41Å; D2693-D2696 WeakPolarHBondContact O-CA 3.37Å; D2693-D2696 WeakPolarHBondContact O-CB 3.18Å; D2693-D2696 PolarHBondContact O-N 3.34Å; D2693-E2697 PolarHBondContact O-N 3.07Å; D2693-E2697 VanDerWaalsContact O-N 3.11Å
2694	P	74.3	Confident	62.1	Low	34.6667 Å²	34.6667	101.3 Å²	101.3	23%	0.225	54%	0.543	C	S	.	.	H	α-helix	trans	-55.8	0	175	22.6	-31	0	0	0	112.9	D2696 E2697 T2698 F2721	P2694-D2696 VanDerWaalsContact C-N 3.34Å; P2694-E2697 PolarHBondContact O-N 3.33Å; P2694-T2698 WeakPolarHBondContact O-CB 3.37Å; P2694-T2698 PolarHBondContact O-N 3.26Å; P2694-T2698 VanDerWaalsContact O-N 3.1Å; P2694-T2698 PolarHBondContact O-OG1 3.13Å; P2694-F2721 HydrophobicContact CB-CD1 3.71Å; P2694-F2721 HydrophobicContact CB-CE1 4.11Å; P2694-F2721 HydrophobicContact CG-CD1 3.92Å
2695	V	76.3	Confident	64.6	Low	77.3333 Å²	77.3333	97.1 Å²	97.1	47%	0.469	54%	0.537	S	S	.	.	H	α-helix		0	-39.7	0	177.6	0	0	0	0	110.5	D2693 E2697 T2698 I2699	D2693-V2695 PolarHBondContact O-N 2.83Å; D2693-V2695 VanDerWaalsContact O-N 3.13Å; D2693-V2695 VanDerWaalsContact OD1-CB 3.25Å; D2693-V2695 WeakPolarHBondContact OD1-CB 3.4Å; D2693-V2695 VanDerWaalsContact OD1-CG2 3.3Å; D2693-V2695 WeakPolarHBondContact OD1-CG2 3.17Å; D2693-V2695 PolarHBondContact OD1-N 2.98Å; V2695-E2697 PolarHBondContact O-N 3.33Å; V2695-T2698 WeakPolarHBondContact O-CB 3.34Å; V2695-T2698 PolarHBondContact O-N 3.3Å; V2695-T2698 VanDerWaalsContact O-N 3.16Å; V2695-I2699 HydrophobicContact CG1-CD1 3.81Å; V2695-I2699 HydrophobicContact CG1-CG1 4.35Å; V2695-I2699 WeakPolarHBondContact O-CB 2.87Å; V2695-I2699 VanDerWaalsContact O-CG1 3.3Å; V2695-I2699 WeakPolarHBondContact O-CG1 3.43Å; V2695-I2699 PolarHBondContact O-N 3.01Å
2696	D	78.7	Confident	67.3	Low	78.3333 Å²	78.3333	97.2 Å²	97.2	42%	0.419	53%	0.533	S	S	.	.	H	α-helix	trans	-68.6	-36	176.8	-71.8	-27.6	0	0	0	111.4	R2692 D2693 P2694 T2698 I2699 E2700	R2692-D2696 HydrophobicContact CB-CB 4.31Å; R2692-D2696 HydrophobicContact CG-CB 4.39Å; D2693-D2696 HydrophobicContact CB-CB 4.41Å; D2693-D2696 WeakPolarHBondContact O-CA 3.37Å; D2693-D2696 WeakPolarHBondContact O-CB 3.18Å; D2693-D2696 PolarHBondContact O-N 3.34Å; P2694-D2696 VanDerWaalsContact C-N 3.34Å; D2696-T2698 VanDerWaalsContact C-N 3.28Å; D2696-T2698 PolarHBondContact O-N 3.02Å; D2696-I2699 PolarHBondContact O-N 3.05Å; D2696-E2700 VanDerWaalsContact O-CB 3.25Å; D2696-E2700 WeakPolarHBondContact O-CB 2Å; D2696-E2700 VanDerWaalsContact O-CG 3.25Å; D2696-E2700 WeakPolarHBondContact O-CG 3.35Å; D2696-E2700 PolarHBondContact O-N 2.75Å
2697	E	82	Confident	70.1	Confident	105.333 Å²	105.333	95.1 Å²	95.1	49%	0.492	51%	0.513	S	S	.	.	H	α-helix	trans	-62.4	0	174	-172.6	-174.1	146.7	0	0	110.8	D2693 P2694 V2695 I2699 E2700 A2701 K2715	D2693-E2697 PolarHBondContact O-N 3.07Å; D2693-E2697 VanDerWaalsContact O-N 3.11Å; P2694-E2697 PolarHBondContact O-N 3.33Å; V2695-E2697 PolarHBondContact O-N 3.33Å; E2697-I2699 VanDerWaalsContact C-N 3.25Å; E2697-E2700 PolarHBondContact O-N 3.25Å; E2697-A2701 VanDerWaalsContact O-CB 3.3Å; E2697-A2701 WeakPolarHBondContact O-CB 3.32Å; E2697-A2701 PolarHBondContact O-N 2.95Å; E2697-K2715 IonicContact OE1-NZ 3.75Å; E2697-K2715 PolarHBondContact OE1-NZ 2.93Å
2698	T	82.6	Confident	72.8	Confident	28.6667 Å²	28.6667	91.8 Å²	91.8	18%	0.176	50%	0.496	C	S	.	.	H	α-helix		0	-38.4	0	-55.7	0	0	0	0	111.2	P2694 V2695 D2696 E2700 A2701 V2702 F2707 Y2712	P2694-T2698 WeakPolarHBondContact O-CB 3.37Å; P2694-T2698 PolarHBondContact O-N 3.26Å; P2694-T2698 VanDerWaalsContact O-N 3.1Å; P2694-T2698 PolarHBondContact O-OG1 3.13Å; V2695-T2698 WeakPolarHBondContact O-CB 3.34Å; V2695-T2698 PolarHBondContact O-N 3.3Å; V2695-T2698 VanDerWaalsContact O-N 3.16Å; D2696-T2698 VanDerWaalsContact C-N 3.28Å; D2696-T2698 PolarHBondContact O-N 3.02Å; T2698-E2700 PolarHBondContact O-N 2.99Å; T2698-A2701 PolarHBondContact O-N 3.1Å; T2698-A2701 VanDerWaalsContact O-N 3.15Å; T2698-V2702 HydrophobicContact CG2-CG2 4.3Å; T2698-V2702 WeakPolarHBondContact O-CB 3.33Å; T2698-V2702 WeakPolarHBondContact O-CG2 3.32Å; T2698-V2702 PolarHBondContact O-N 2.97Å; T2698-F2707 HydrophobicContact CG2-CD2 4.16Å; T2698-F2707 HydrophobicContact CG2-CE2 3.87Å; T2698-Y2712 HydrophobicContact CG2-CD2 4.11Å; T2698-Y2712 HydrophobicContact CG2-CE2 3.92Å
2699	I	82.1	Confident	75.2	Confident	86 Å²	86	90.9 Å²	90.9	44%	0.441	49%	0.487	S	S	.	.	H	α-helix	trans	-67.2	-41.1	178.4	-70	169.3	0	0	0	110.2	V2695 D2696 E2697 A2701 V2702 V2703	V2695-I2699 HydrophobicContact CG1-CD1 3.81Å; V2695-I2699 HydrophobicContact CG1-CG1 4.35Å; V2695-I2699 WeakPolarHBondContact O-CB 2.87Å; V2695-I2699 VanDerWaalsContact O-CG1 3.3Å; V2695-I2699 WeakPolarHBondContact O-CG1 3.43Å; V2695-I2699 PolarHBondContact O-N 3.01Å; D2696-I2699 PolarHBondContact O-N 3.05Å; E2697-I2699 VanDerWaalsContact C-N 3.25Å; I2699-A2701 VanDerWaalsContact C-N 3.26Å; I2699-A2701 PolarHBondContact O-N 3.39Å; I2699-V2702 PolarHBondContact O-N 2.98Å; I2699-V2703 HydrophobicContact CG2-CG2 4.18Å; I2699-V2703 WeakPolarHBondContact O-CB 3.13Å; I2699-V2703 VanDerWaalsContact O-CG2 3.3Å; I2699-V2703 WeakPolarHBondContact O-CG2 3.34Å; I2699-V2703 PolarHBondContact O-N 3.12Å
2700	E	83.3	Confident	77.6	Confident	68.3333 Å²	68.3333	90.6 Å²	90.6	32%	0.319	48%	0.479	S	S	.	.	H	α-helix	trans	-67.1	-39.4	177.1	-79.4	-167.6	171.4	0	0	111.6	R2692 D2696 E2697 T2698 V2702 V2703 N2704	R2692-E2700 WeakPolarHBondContact CD-OE1 3.09Å; R2692-E2700 VanDerWaalsContact CZ-CD 3.48Å; R2692-E2700 CovalentContact CZ-OE1 1.74Å; R2692-E2700 IonicContact CZ-OE1 3.01Å; R2692-E2700 IonicContact CZ-OE2 3Å; R2692-E2700 VanDerWaalsContact NE-CD 3.35Å; R2692-E2700 IonicContact NE-OE1 2.7Å; R2692-E2700 PolarHBondContact NE-OE1 2.92Å; R2692-E2700 IonicContact NE-OE2 3.93Å; R2692-E2700 VanDerWaalsContact NH1-CD 3.29Å; R2692-E2700 IonicContact NH1-OE1 2.87Å; R2692-E2700 PolarHBondContact NH1-OE1 3.23Å; R2692-E2700 VanDerWaalsContact NH1-OE1 3.07Å; R2692-E2700 CovalentContact NH1-OE2 1.71Å; R2692-E2700 IonicContact NH1-OE2 3.37Å; R2692-E2700 PolarHBondContact NH1-OE2 3.26Å; R2692-E2700 IonicContact NH2-OE1 2.92Å; R2692-E2700 PolarHBondContact NH2-OE1 2.92Å; R2692-E2700 IonicContact NH2-OE2 3.06Å; D2696-E2700 VanDerWaalsContact O-CB 3.25Å; D2696-E2700 WeakPolarHBondContact O-CB 2Å; D2696-E2700 VanDerWaalsContact O-CG 3.25Å; D2696-E2700 WeakPolarHBondContact O-CG 3.35Å; D2696-E2700 PolarHBondContact O-N 2.75Å; E2697-E2700 PolarHBondContact O-N 3.25Å; T2698-E2700 PolarHBondContact O-N 2.99Å; E2700-V2702 VanDerWaalsContact C-N 3.28Å; E2700-V2702 PolarHBondContact O-N 2.81Å; E2700-V2703 PolarHBondContact O-N 2.78Å; E2700-N2704 VanDerWaalsContact O-CB 3.25Å; E2700-N2704 WeakPolarHBondContact O-CB 3.24Å; E2700-N2704 PolarHBondContact O-N 2.88Å; E2700-N2704 PolarHBondContact O-ND2 2.84Å; E2700-N2704 VanDerWaalsContact O-ND2 3.08Å
2701	A	85.5	Confident	79.6	Confident	26.3333 Å²	26.3333	88.1 Å²	88.1	22%	0.218	47%	0.468	C	S	.	.	H	α-helix	trans	-62.7	0	175.6	0	0	0	0	0	111.6	E2697 T2698 I2699 N2704 G2705 E2706 F2707	E2697-A2701 VanDerWaalsContact O-CB 3.3Å; E2697-A2701 WeakPolarHBondContact O-CB 3.32Å; E2697-A2701 PolarHBondContact O-N 2.95Å; T2698-A2701 PolarHBondContact O-N 3.1Å; T2698-A2701 VanDerWaalsContact O-N 3.15Å; I2699-A2701 VanDerWaalsContact C-N 3.26Å; I2699-A2701 PolarHBondContact O-N 3.39Å; A2701-N2704 PolarHBondContact O-N 2.94Å; A2701-G2705 PolarHBondContact O-N 3.24Å; A2701-E2706 CarbonylContact O-C 3.45Å; A2701-E2706 PolarHBondContact O-N 3.29Å; A2701-F2707 HydrophobicContact CB-CB 4.4Å; A2701-F2707 PolarHBondContact O-N 2.94Å
2702	V	87.4	Confident	81.6	Confident	85 Å²	85	88.6 Å²	88.6	52%	0.515	46%	0.46	S	S	.	.	H	α-helix		0	-40.1	0	171.2	0	0	0	0	111	T2698 I2699 E2700 N2704 G2705 F2707	T2698-V2702 HydrophobicContact CG2-CG2 4.3Å; T2698-V2702 WeakPolarHBondContact O-CB 3.33Å; T2698-V2702 WeakPolarHBondContact O-CG2 3.32Å; T2698-V2702 PolarHBondContact O-N 2.97Å; I2699-V2702 PolarHBondContact O-N 2.98Å; E2700-V2702 VanDerWaalsContact C-N 3.28Å; E2700-V2702 PolarHBondContact O-N 2.81Å; V2702-N2704 PolarHBondContact O-N 3.22Å; V2702-G2705 PolarHBondContact O-N 3.16Å; V2702-G2705 VanDerWaalsContact O-N 3.14Å; V2702-F2707 HydrophobicContact CB-CB 4.39Å; V2702-F2707 HydrophobicContact CG2-CB 3.81Å; V2702-F2707 HydrophobicContact CG2-CD1 4.42Å; V2702-F2707 HydrophobicContact CG2-CD2 3.63Å; V2702-F2707 HydrophobicContact CG2-CE2 4.3Å; V2702-F2707 HydrophobicContact CG2-CG 3.7Å
2703	V	85.3	Confident	82.9	Confident	110.667 Å²	110.667	85.7 Å²	85.7	67%	0.671	46%	0.458	S	S	*	.	H	α-helix	trans	-71.1	-32.7	-178.5	169.6	0	0	0	0	111.2	I2699 E2700 G2705	I2699-V2703 HydrophobicContact CG2-CG2 4.18Å; I2699-V2703 WeakPolarHBondContact O-CB 3.13Å; I2699-V2703 VanDerWaalsContact O-CG2 3.3Å; I2699-V2703 WeakPolarHBondContact O-CG2 3.34Å; I2699-V2703 PolarHBondContact O-N 3.12Å; E2700-V2703 PolarHBondContact O-N 2.78Å; V2703-G2705 VanDerWaalsContact C-N 3.32Å; V2703-G2705 PolarHBondContact O-N 3.25Å
2704	N	88	Confident	83.4	Confident	102.667 Å²	102.667	86.3 Å²	86.3	55%	0.549	46%	0.46	S	S	.	.	H	α-helix	trans	-85.4	-5.5	179.2	-65.6	-20.3	0	0	0	112.1	E2700 A2701 V2702 E2706	E2700-N2704 VanDerWaalsContact O-CB 3.25Å; E2700-N2704 WeakPolarHBondContact O-CB 3.24Å; E2700-N2704 PolarHBondContact O-N 2.88Å; E2700-N2704 PolarHBondContact O-ND2 2.84Å; E2700-N2704 VanDerWaalsContact O-ND2 3.08Å; A2701-N2704 PolarHBondContact O-N 2.94Å; V2702-N2704 PolarHBondContact O-N 3.22Å; N2704-E2706 HydrophobicContact CB-CG 4.22Å; N2704-E2706 PolarHBondContact O-N 3.11Å
2705	G	82.6	Confident	83.7	Confident	68 Å²	68	87.6 Å²	87.6	70%	0.701	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	0	-178	0	0	0	0	0	113.7	A2701 V2702 V2703 F2707	A2701-G2705 PolarHBondContact O-N 3.24Å; V2702-G2705 PolarHBondContact O-N 3.16Å; V2702-G2705 VanDerWaalsContact O-N 3.14Å; V2703-G2705 VanDerWaalsContact C-N 3.32Å; V2703-G2705 PolarHBondContact O-N 3.25Å; G2705-F2707 VanDerWaalsContact C-N 3.28Å
2706	E	85.9	Confident	83.9	Confident	152.333 Å²	152.333	88.2 Å²	88.2	71%	0.712	46%	0.462	S	S	*	.				0	0	0	-63.1	-175	145.9	0	0	112.4	A2701 N2704 D2708	A2701-E2706 CarbonylContact O-C 3.45Å; A2701-E2706 PolarHBondContact O-N 3.29Å; N2704-E2706 HydrophobicContact CB-CG 4.22Å; N2704-E2706 PolarHBondContact O-N 3.11Å; E2706-D2708 PolarHBondContact O-N 3.03Å
2707	F	88.5	Confident	83.8	Confident	84 Å²	84	88.8 Å²	88.8	37%	0.368	47%	0.473	S	S	.	.				0	0	0	178.3	-98.2	0	0	0	112	T2698 A2701 V2702 G2705 E2709 Y2712	T2698-F2707 HydrophobicContact CG2-CD2 4.16Å; T2698-F2707 HydrophobicContact CG2-CE2 3.87Å; A2701-F2707 HydrophobicContact CB-CB 4.4Å; A2701-F2707 PolarHBondContact O-N 2.94Å; V2702-F2707 HydrophobicContact CB-CB 4.39Å; V2702-F2707 HydrophobicContact CG2-CB 3.81Å; V2702-F2707 HydrophobicContact CG2-CD1 4.42Å; V2702-F2707 HydrophobicContact CG2-CD2 3.63Å; V2702-F2707 HydrophobicContact CG2-CE2 4.3Å; V2702-F2707 HydrophobicContact CG2-CG 3.7Å; G2705-F2707 VanDerWaalsContact C-N 3.28Å; F2707-E2709 HydrophobicContact CE1-CB 4.05Å; F2707-Y2712 HydrophobicContact CE2-CD1 4.39Å; F2707-Y2712 AromaticContact CE2-CD2 3.89Å; F2707-Y2712 HydrophobicContact CE2-CD2 4.02Å; F2707-Y2712 AromaticContact CE2-CG 3.81Å; F2707-Y2712 HydrophobicContact CE2-CG 3.81Å; F2707-Y2712 HydrophobicContact CZ-CD1 4.13Å; F2707-Y2712 HydrophobicContact CZ-CD2 4.47Å; F2707-Y2712 AromaticContact CZ-CG 3.89Å; F2707-Y2712 HydrophobicContact CZ-CG 3.93Å
2708	D	87	Confident	83.6	Confident	78.6667 Å²	78.6667	90.2 Å²	90.2	42%	0.421	48%	0.477	S	S	.	.				0	112.3	0	-173.2	-2.4	0	0	0	110.5	E2706 K2710 E2711 Y2712	E2706-D2708 PolarHBondContact O-N 3.03Å; D2708-K2710 VanDerWaalsContact C-N 3.28Å; D2708-K2710 PolarHBondContact O-N 3.13Å; D2708-K2710 VanDerWaalsContact O-N 3.15Å; D2708-K2710 VanDerWaalsContact OD1-CB 3.31Å; D2708-K2710 WeakPolarHBondContact OD1-CB 3.37Å; D2708-K2710 WeakPolarHBondContact OD1-CG 3.44Å; D2708-K2710 PolarHBondContact OD1-N 2.9Å; D2708-E2711 HydrophobicContact CB-CB 4Å; D2708-E2711 PolarHBondContact O-N 2.79Å; D2708-E2711 VanDerWaalsContact O-N 3.07Å; D2708-Y2712 PolarHBondContact O-N 2.62Å
2709	E	86.2	Confident	82.9	Confident	121 Å²	121	91.6 Å²	91.6	57%	0.565	50%	0.497	S	S	*	.	H	α-helix	trans	-55.4	-35.6	176.3	-176.3	-179.1	-168.8	0	0	111.8	F2707 E2711 Y2712 V2713	F2707-E2709 HydrophobicContact CE1-CB 4.05Å; E2709-E2711 PolarHBondContact O-N 2.73Å; E2709-Y2712 PolarHBondContact O-N 3.06Å; E2709-V2713 HydrophobicContact CG-CG2 4.33Å; E2709-V2713 WeakPolarHBondContact O-CB 3.42Å; E2709-V2713 VanDerWaalsContact O-CG2 3.28Å; E2709-V2713 WeakPolarHBondContact O-CG2 3.28Å; E2709-V2713 PolarHBondContact O-N 3.21Å
2710	K	84.7	Confident	81.8	Confident	163 Å²	163	92.3 Å²	92.3	71%	0.709	50%	0.502	S	S	*	.	H	α-helix	trans	-71	-35.9	-178.9	-62	171.2	-173	167.7	0	111.4	D2708 L2714	D2708-K2710 VanDerWaalsContact C-N 3.28Å; D2708-K2710 PolarHBondContact O-N 3.13Å; D2708-K2710 VanDerWaalsContact O-N 3.15Å; D2708-K2710 VanDerWaalsContact OD1-CB 3.31Å; D2708-K2710 WeakPolarHBondContact OD1-CB 3.37Å; D2708-K2710 WeakPolarHBondContact OD1-CG 3.44Å; D2708-K2710 PolarHBondContact OD1-N 2.9Å; K2710-L2714 VanDerWaalsContact O-CB 3.23Å; K2710-L2714 WeakPolarHBondContact O-CB 3.21Å; K2710-L2714 PolarHBondContact O-N 3.2Å
2711	E	83.7	Confident	80.8	Confident	99.6667 Å²	99.6667	92.2 Å²	92.2	47%	0.466	50%	0.5	S	S	.	.	H	α-helix	trans	-70.4	-41.3	175.5	-167.2	-171	140.5	0	0	110.6	D2708 E2709 V2713 L2714 K2715	D2708-E2711 HydrophobicContact CB-CB 4Å; D2708-E2711 PolarHBondContact O-N 2.79Å; D2708-E2711 VanDerWaalsContact O-N 3.07Å; E2709-E2711 PolarHBondContact O-N 2.73Å; E2711-V2713 VanDerWaalsContact C-N 3.28Å; E2711-V2713 PolarHBondContact O-N 2.63Å; E2711-L2714 CarbonylContact O-C 3.56Å; E2711-L2714 WeakPolarHBondContact O-CA 3.37Å; E2711-L2714 WeakPolarHBondContact O-CB 3.29Å; E2711-L2714 PolarHBondContact O-N 2.46Å; E2711-L2714 VanDerWaalsContact O-N 3.15Å; E2711-K2715 HydrophobicContact CG-CD 4.42Å; E2711-K2715 WeakPolarHBondContact O-CB 3.39Å; E2711-K2715 WeakPolarHBondContact O-CG 3.25Å; E2711-K2715 PolarHBondContact O-N 3.14Å; E2711-K2715 WeakPolarHBondContact OE1-CE 3.29Å; E2711-K2715 IonicContact OE1-NZ 2.7Å; E2711-K2715 PolarHBondContact OE1-NZ 2.91Å
2712	Y	84.8	Confident	79	Confident	77.6667 Å²	77.6667	96.4 Å²	96.4	31%	0.305	52%	0.518	S	S	.	.	H	α-helix	trans	-62.6	0	177.7	-176.8	-104.1	0	0	0	111.5	T2698 F2707 D2708 E2709 L2714 K2715 L2716 F2721	T2698-Y2712 HydrophobicContact CG2-CD2 4.11Å; T2698-Y2712 HydrophobicContact CG2-CE2 3.92Å; F2707-Y2712 HydrophobicContact CE2-CD1 4.39Å; F2707-Y2712 AromaticContact CE2-CD2 3.89Å; F2707-Y2712 HydrophobicContact CE2-CD2 4.02Å; F2707-Y2712 AromaticContact CE2-CG 3.81Å; F2707-Y2712 HydrophobicContact CE2-CG 3.81Å; F2707-Y2712 HydrophobicContact CZ-CD1 4.13Å; F2707-Y2712 HydrophobicContact CZ-CD2 4.47Å; F2707-Y2712 AromaticContact CZ-CG 3.89Å; F2707-Y2712 HydrophobicContact CZ-CG 3.93Å; D2708-Y2712 PolarHBondContact O-N 2.62Å; E2709-Y2712 PolarHBondContact O-N 3.06Å; Y2712-L2714 VanDerWaalsContact C-N 3.29Å; Y2712-L2714 PolarHBondContact O-N 3.09Å; Y2712-K2715 CarbonylContact O-C 1.69Å; Y2712-K2715 WeakPolarHBondContact O-CB 3.42Å; Y2712-K2715 PolarHBondContact O-N 3.27Å; Y2712-L2716 HydrophobicContact CD1-CD1 3.71Å; Y2712-L2716 HydrophobicContact CD1-CG 4.32Å; Y2712-L2716 HydrophobicContact CE1-CD1 3.33Å; Y2712-L2716 VanDerWaalsContact CE1-CD1 3.49Å; Y2712-L2716 HydrophobicContact CE1-CD2 4.4Å; Y2712-L2716 HydrophobicContact CE1-CG 4.02Å; Y2712-L2716 HydrophobicContact CG-CD1 4.29Å; Y2712-L2716 WeakPolarHBondContact O-CB 3.25Å; Y2712-L2716 VanDerWaalsContact O-CG 3.23Å; Y2712-L2716 WeakPolarHBondContact O-CG 3.44Å; Y2712-L2716 PolarHBondContact O-N 3Å; Y2712-F2721 HydrophobicContact CD2-CE1 4.2Å; Y2712-F2721 AromaticContact CD2-CZ 3.87Å; Y2712-F2721 HydrophobicContact CD2-CZ 4.03Å; Y2712-F2721 AromaticContact CE2-CE1 3.73Å; Y2712-F2721 HydrophobicContact CE2-CE1 4.06Å; Y2712-F2721 HydrophobicContact CE2-CE2 4.42Å; Y2712-F2721 AromaticContact CE2-CZ 3.65Å; Y2712-F2721 HydrophobicContact CE2-CZ 3.65Å; Y2712-F2721 VanDerWaalsContact CE2-CZ 3.49Å
2713	V	82.6	Confident	76.9	Confident	77.3333 Å²	77.3333	97.2 Å²	97.2	47%	0.469	53%	0.525	S	S	.	.	H	α-helix		0	-33.7	0	171.7	0	0	0	0	111	E2709 E2711 K2715 L2716 S2717	E2709-V2713 HydrophobicContact CG-CG2 4.33Å; E2709-V2713 WeakPolarHBondContact O-CB 3.42Å; E2709-V2713 VanDerWaalsContact O-CG2 3.28Å; E2709-V2713 WeakPolarHBondContact O-CG2 3.28Å; E2709-V2713 PolarHBondContact O-N 3.21Å; E2711-V2713 VanDerWaalsContact C-N 3.28Å; E2711-V2713 PolarHBondContact O-N 2.63Å; V2713-K2715 VanDerWaalsContact C-N 3.25Å; V2713-K2715 PolarHBondContact O-N 2.83Å; V2713-L2716 CarbonylContact O-C 2.78Å; V2713-L2716 WeakPolarHBondContact O-CB 3.05Å; V2713-L2716 PolarHBondContact O-N 3.16Å; V2713-L2716 VanDerWaalsContact O-N 3.1Å; V2713-S2717 VanDerWaalsContact C-OG 3.31Å; V2713-S2717 WeakPolarHBondContact O-CA 3.25Å; V2713-S2717 VanDerWaalsContact O-CB 3.23Å; V2713-S2717 WeakPolarHBondContact O-CB 3.29Å; V2713-S2717 PolarHBondContact O-N 2.89Å; V2713-S2717 PolarHBondContact O-OG 3.35Å
2714	L	79.9	Confident	74.4	Confident	86.3333 Å²	86.3333	97.4 Å²	97.4	45%	0.452	52%	0.522	S	S	.	.	H	α-helix	trans	-70	-38.3	174.5	-142.7	81.3	0	0	0	111.9	K2710 E2711 Y2712 L2716 S2717 K2718	K2710-L2714 VanDerWaalsContact O-CB 3.23Å; K2710-L2714 WeakPolarHBondContact O-CB 3.21Å; K2710-L2714 PolarHBondContact O-N 3.2Å; E2711-L2714 CarbonylContact O-C 3.56Å; E2711-L2714 WeakPolarHBondContact O-CA 3.37Å; E2711-L2714 WeakPolarHBondContact O-CB 3.29Å; E2711-L2714 PolarHBondContact O-N 2.46Å; E2711-L2714 VanDerWaalsContact O-N 3.15Å; Y2712-L2714 VanDerWaalsContact C-N 3.29Å; Y2712-L2714 PolarHBondContact O-N 3.09Å; L2714-L2716 VanDerWaalsContact C-N 3.33Å; L2714-L2716 PolarHBondContact O-N 3.38Å; L2714-S2717 WeakPolarHBondContact CA-OG 3.1Å; L2714-S2717 PolarHBondContact O-N 3.21Å; L2714-S2717 PolarHBondContact O-OG 3.23Å; L2714-K2718 HydrophobicContact CD2-CD 4.03Å; L2714-K2718 VanDerWaalsContact CD2-NZ 3.29Å; L2714-K2718 HydrophobicContact CG-CD 4.21Å; L2714-K2718 VanDerWaalsContact O-CB 3.25Å; L2714-K2718 WeakPolarHBondContact O-CB 3.35Å; L2714-K2718 WeakPolarHBondContact O-CD 3.26Å; L2714-K2718 VanDerWaalsContact O-CG 3.25Å; L2714-K2718 WeakPolarHBondContact O-CG 3.37Å; L2714-K2718 PolarHBondContact O-N 3.2Å
2715	K	81.2	Confident	71.8	Confident	62.6667 Å²	62.6667	94.8 Å²	94.8	27%	0.272	52%	0.52	S	S	.	.	H	α-helix	trans	-65.7	0	175.3	-84.2	171.8	167.3	170.9	0	110.5	E2697 E2711 Y2712 V2713 S2717 K2718 G2719 N2720 F2721	E2697-K2715 IonicContact OE1-NZ 3.75Å; E2697-K2715 PolarHBondContact OE1-NZ 2.93Å; E2711-K2715 HydrophobicContact CG-CD 4.42Å; E2711-K2715 WeakPolarHBondContact O-CB 3.39Å; E2711-K2715 WeakPolarHBondContact O-CG 3.25Å; E2711-K2715 PolarHBondContact O-N 3.14Å; E2711-K2715 WeakPolarHBondContact OE1-CE 3.29Å; E2711-K2715 IonicContact OE1-NZ 2.7Å; E2711-K2715 PolarHBondContact OE1-NZ 2.91Å; Y2712-K2715 CarbonylContact O-C 1.69Å; Y2712-K2715 WeakPolarHBondContact O-CB 3.42Å; Y2712-K2715 PolarHBondContact O-N 3.27Å; V2713-K2715 VanDerWaalsContact C-N 3.25Å; V2713-K2715 PolarHBondContact O-N 2.83Å; K2715-S2717 VanDerWaalsContact C-N 3.33Å; K2715-K2718 PolarHBondContact O-N 2.96Å; K2715-G2719 PolarHBondContact O-N 3.23Å; K2715-N2720 PolarHBondContact O-N 3.33Å; K2715-F2721 HydrophobicContact CB-CD2 4.3Å; K2715-F2721 HydrophobicContact CB-CE1 4.38Å; K2715-F2721 HydrophobicContact CB-CE2 3.57Å; K2715-F2721 HydrophobicContact CB-CZ 4.08Å
2716	L	79.8	Confident	69.3	Low	89.3333 Å²	89.3333	99.2 Å²	99.2	47%	0.468	52%	0.522	S	S	.	.	H	α-helix		0	-48.5	0	-77.7	173.2	0	0	0	111.4	Y2712 V2713 L2714 K2718 G2719 F2721	Y2712-L2716 HydrophobicContact CD1-CD1 3.71Å; Y2712-L2716 HydrophobicContact CD1-CG 4.32Å; Y2712-L2716 HydrophobicContact CE1-CD1 3.33Å; Y2712-L2716 VanDerWaalsContact CE1-CD1 3.49Å; Y2712-L2716 HydrophobicContact CE1-CD2 4.4Å; Y2712-L2716 HydrophobicContact CE1-CG 4.02Å; Y2712-L2716 HydrophobicContact CG-CD1 4.29Å; Y2712-L2716 WeakPolarHBondContact O-CB 3.25Å; Y2712-L2716 VanDerWaalsContact O-CG 3.23Å; Y2712-L2716 WeakPolarHBondContact O-CG 3.44Å; Y2712-L2716 PolarHBondContact O-N 3Å; V2713-L2716 CarbonylContact O-C 2.78Å; V2713-L2716 WeakPolarHBondContact O-CB 3.05Å; V2713-L2716 PolarHBondContact O-N 3.16Å; V2713-L2716 VanDerWaalsContact O-N 3.1Å; L2714-L2716 VanDerWaalsContact C-N 3.33Å; L2714-L2716 PolarHBondContact O-N 3.38Å; L2716-K2718 VanDerWaalsContact C-N 3.26Å; L2716-K2718 PolarHBondContact O-N 3Å; L2716-G2719 PolarHBondContact O-N 3.09Å; L2716-F2721 HydrophobicContact CB-CE2 4.37Å; L2716-F2721 HydrophobicContact CB-CZ 4.35Å; L2716-F2721 HydrophobicContact CD2-CD2 4.21Å; L2716-F2721 HydrophobicContact CD2-CE2 3.52Å; L2716-F2721 HydrophobicContact CD2-CZ 3.85Å; L2716-F2721 HydrophobicContact CG-CE2 3.84Å; L2716-F2721 HydrophobicContact CG-CZ 3.48Å; L2716-F2721 VanDerWaalsContact CG-CZ 3.48Å
2717	S	76.9	Confident	66.5	Low	91 Å²	91	97.3 Å²	97.3	64%	0.636	53%	0.525	S	S	*	.	H	α-helix	trans	-71.7	-21.6	-176.9	48.6	0	0	0	0	113.3	V2713 L2714 K2715 G2719	V2713-S2717 VanDerWaalsContact C-OG 3.31Å; V2713-S2717 WeakPolarHBondContact O-CA 3.25Å; V2713-S2717 VanDerWaalsContact O-CB 3.23Å; V2713-S2717 WeakPolarHBondContact O-CB 3.29Å; V2713-S2717 PolarHBondContact O-N 2.89Å; V2713-S2717 PolarHBondContact O-OG 3.35Å; L2714-S2717 WeakPolarHBondContact CA-OG 3.1Å; L2714-S2717 PolarHBondContact O-N 3.21Å; L2714-S2717 PolarHBondContact O-OG 3.23Å; K2715-S2717 VanDerWaalsContact C-N 3.33Å; S2717-G2719 PolarHBondContact O-N 3.45Å
2718	K	78.4	Confident	63.7	Low	136 Å²	136	101.3 Å²	101.3	59%	0.591	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	0	172.9	-72.5	177.9	179	178.3	0	112.7	L2714 K2715 L2716 N2720	L2714-K2718 HydrophobicContact CD2-CD 4.03Å; L2714-K2718 VanDerWaalsContact CD2-NZ 3.29Å; L2714-K2718 HydrophobicContact CG-CD 4.21Å; L2714-K2718 VanDerWaalsContact O-CB 3.25Å; L2714-K2718 WeakPolarHBondContact O-CB 3.35Å; L2714-K2718 WeakPolarHBondContact O-CD 3.26Å; L2714-K2718 VanDerWaalsContact O-CG 3.25Å; L2714-K2718 WeakPolarHBondContact O-CG 3.37Å; L2714-K2718 PolarHBondContact O-N 3.2Å; K2715-K2718 PolarHBondContact O-N 2.96Å; L2716-K2718 VanDerWaalsContact C-N 3.26Å; L2716-K2718 PolarHBondContact O-N 3Å; K2718-N2720 HydrophobicContact CB-CB 4.17Å; K2718-N2720 PolarHBondContact O-N 3.23Å; K2718-N2720 VanDerWaalsContact O-N 3.16Å; K2718-N2720 PolarHBondContact O-OD1 3.29Å; K2718-N2720 VanDerWaalsContact O-OD1 3.08Å
2719	G	66.7	Low	60.9	Low	57 Å²	57	103 Å²	103	59%	0.588	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn		0	24.5	0	0	0	0	0	0	112.9	K2715 L2716 S2717 F2721	K2715-G2719 PolarHBondContact O-N 3.23Å; L2716-G2719 PolarHBondContact O-N 3.09Å; S2717-G2719 PolarHBondContact O-N 3.45Å; G2719-F2721 PolarHBondContact O-N 3.26Å; G2719-F2721 VanDerWaalsContact O-N 3.17Å
2720	N	58.7	Low	58.3	Low	101.333 Å²	101.333	105.3 Å²	105.3	54%	0.542	57%	0.573	S	S	.	*			trans	-87	0	-168.1	-122.6	83.3	0	0	0	113	K2715 K2718 I2722	K2715-N2720 PolarHBondContact O-N 3.33Å; K2718-N2720 HydrophobicContact CB-CB 4.17Å; K2718-N2720 PolarHBondContact O-N 3.23Å; K2718-N2720 VanDerWaalsContact O-N 3.16Å; K2718-N2720 PolarHBondContact O-OD1 3.29Å; K2718-N2720 VanDerWaalsContact O-OD1 3.08Å; N2720-I2722 PolarHBondContact O-N 3.17Å
2721	F	62.5	Low	55.6	Low	66.3333 Å²	66.3333	103.1 Å²	103.1	29%	0.291	58%	0.578	S	S	.	*				0	85.7	0	-71.7	-87.8	0	0	0	109.9	P2694 Y2712 K2715 L2716 G2719 P2723	P2694-F2721 HydrophobicContact CB-CD1 3.71Å; P2694-F2721 HydrophobicContact CB-CE1 4.11Å; P2694-F2721 HydrophobicContact CG-CD1 3.92Å; Y2712-F2721 HydrophobicContact CD2-CE1 4.2Å; Y2712-F2721 AromaticContact CD2-CZ 3.87Å; Y2712-F2721 HydrophobicContact CD2-CZ 4.03Å; Y2712-F2721 AromaticContact CE2-CE1 3.73Å; Y2712-F2721 HydrophobicContact CE2-CE1 4.06Å; Y2712-F2721 HydrophobicContact CE2-CE2 4.42Å; Y2712-F2721 AromaticContact CE2-CZ 3.65Å; Y2712-F2721 HydrophobicContact CE2-CZ 3.65Å; Y2712-F2721 VanDerWaalsContact CE2-CZ 3.49Å; K2715-F2721 HydrophobicContact CB-CD2 4.3Å; K2715-F2721 HydrophobicContact CB-CE1 4.38Å; K2715-F2721 HydrophobicContact CB-CE2 3.57Å; K2715-F2721 HydrophobicContact CB-CZ 4.08Å; L2716-F2721 HydrophobicContact CB-CE2 4.37Å; L2716-F2721 HydrophobicContact CB-CZ 4.35Å; L2716-F2721 HydrophobicContact CD2-CD2 4.21Å; L2716-F2721 HydrophobicContact CD2-CE2 3.52Å; L2716-F2721 HydrophobicContact CD2-CZ 3.85Å; L2716-F2721 HydrophobicContact CG-CE2 3.84Å; L2716-F2721 HydrophobicContact CG-CZ 3.48Å; L2716-F2721 VanDerWaalsContact CG-CZ 3.48Å; G2719-F2721 PolarHBondContact O-N 3.26Å; G2719-F2721 VanDerWaalsContact O-N 3.17Å; F2721-P2723 VanDerWaalsContact C-N 3.32Å; F2721-P2723 VanDerWaalsContact O-CD 3.31Å; F2721-P2723 WeakPolarHBondContact O-CD 3.39Å; F2721-P2723 VanDerWaalsContact O-N 3.09Å
2722	I	48.2	Very low	53.1	Low	113.667 Å²	113.667	101.8 Å²	101.8	58%	0.583	59%	0.591	S	S	*	*			trans	-83.5	0	174.7	-57.9	175.6	0	0	0	108.5	N2720 N2724	N2720-I2722 PolarHBondContact O-N 3.17Å; I2722-N2724 HydrophobicContact CG2-CB 4.36Å; I2722-N2724 WeakPolarHBondContact CG2-OD1 2.89Å; I2722-N2724 PolarHBondContact O-N 2.84Å; I2722-N2724 VanDerWaalsContact O-N 3.09Å
2723	P	42.8	Very low	50.5	Low	102 Å²	102	102.5 Å²	102.5	66%	0.662	61%	0.608	S	S	*	*				0	85.4	0	25.5	-26.4	0	0	0	110.6	F2721 G2725	F2721-P2723 VanDerWaalsContact C-N 3.32Å; F2721-P2723 VanDerWaalsContact O-CD 3.31Å; F2721-P2723 WeakPolarHBondContact O-CD 3.39Å; F2721-P2723 VanDerWaalsContact O-N 3.09Å; P2723-G2725 VanDerWaalsContact C-N 3.26Å; P2723-G2725 PolarHBondContact O-N 3.32Å
2724	N	33.2	Very low	48	Very low	114.667 Å²	114.667	105.3 Å²	105.3	61%	0.613	62%	0.618	S	S	*	*			trans	-77	0	175	-80.7	-17.2	0	0	0	110.9	S2691 I2722 H2726	S2691-N2724 WeakPolarHBondContact OG-CB 3.41Å; S2691-N2724 PolarHBondContact OG-O 2.89Å; I2722-N2724 HydrophobicContact CG2-CB 4.36Å; I2722-N2724 WeakPolarHBondContact CG2-OD1 2.89Å; I2722-N2724 PolarHBondContact O-N 2.84Å; I2722-N2724 VanDerWaalsContact O-N 3.09Å; N2724-H2726 PolarHBondContact O-N 2.8Å
2725	G	32.6	Very low	45.7	Very low	49.6667 Å²	49.6667	104.4 Å²	104.4	51%	0.512	63%	0.631	S	S	.	*				0	0	0	0	0	0	0	0	110.1	S2691 P2723 C2727	S2691-G2725 WeakPolarHBondContact CB-O 3.46Å; S2691-G2725 PolarHBondContact OG-O 3.32Å; P2723-G2725 VanDerWaalsContact C-N 3.26Å; P2723-G2725 PolarHBondContact O-N 3.32Å; G2725-C2727 PolarHBondContact O-N 3.28Å
2726	H	30.6	Very low	43.2	Very low	159.333 Å²	159.333	106.4 Å²	106.4	74%	0.738	65%	0.652	S	S	*	*				0	77.7	0	-105.7	63.1	0	0	0	111.9	N2724 H2728	N2724-H2726 PolarHBondContact O-N 2.8Å; H2726-H2728 AromaticContact CD2-CE1 3.5Å; H2726-H2728 AromaticContact CD2-NE2 3.69Å; H2726-H2728 PolarHBondContact O-N 3.17Å; H2726-H2728 VanDerWaalsContact O-N 3.12Å
2727	C	27.5	Very low	41.1	Very low	113.667 Å²	113.667	107.8 Å²	107.8	77%	0.768	67%	0.667	S	S	*	*			trans	-64.8	0	159.8	-59.5	0	0	0	0	110.3	G2725 T2729	G2725-C2727 PolarHBondContact O-N 3.28Å; C2727-T2729 PolarHBondContact O-N 3.35Å
2728	H	29.5	Very low	38.8	Very low	167 Å²	167	108.8 Å²	108.8	77%	0.773	67%	0.674	S	S	*	*				0	0	0	-79.2	-54.9	0	0	0	111.5	H2726 L2730	H2726-H2728 AromaticContact CD2-CE1 3.5Å; H2726-H2728 AromaticContact CD2-NE2 3.69Å; H2726-H2728 PolarHBondContact O-N 3.17Å; H2726-H2728 VanDerWaalsContact O-N 3.12Å; H2728-L2730 PolarHBondContact O-N 3.29Å; H2728-L2730 VanDerWaalsContact O-N 3.15Å
2729	T	28.6	Very low	36.6	Very low	113.667 Å²	113.667	107.1 Å²	107.1	70%	0.697	68%	0.679	S	S	*	*				0	106.2	0	-18.9	0	0	0	0	110	C2727 S2731	C2727-T2729 PolarHBondContact O-N 3.35Å; T2729-S2731 PolarHBondContact O-N 3.16Å
2730	L	31.9	Very low	34.9	Very low	170.667 Å²	170.667	112.8 Å²	112.8	89%	0.894	69%	0.69	S	S	*	*			trans	-27.5	0	161.1	-66.6	175.4	0	0	0	112.5	H2728 G2732	H2728-L2730 PolarHBondContact O-N 3.29Å; H2728-L2730 VanDerWaalsContact O-N 3.15Å; L2730-G2732 PolarHBondContact O-N 3.47Å
2731	S	28.7	Very low	33.6	Very low	116.333 Å²	116.333	113.1 Å²	113.1	81%	0.814	70%	0.697	S	S	*	*				0	113.2	0	-159.9	0	0	0	0	114.4	T2729	T2729-S2731 PolarHBondContact O-N 3.16Å
2732	G	30.1	Very low	32	Very low	73 Å²	73	116.9 Å²	116.9	75%	0.753	72%	0.72	S	S	*	*			trans	-164.3	107.5	152.1	0	0	0	0	0	111.7	L2730	L2730-G2732 PolarHBondContact O-N 3.47Å
2733	S	30.6	Very low	31.1	Very low	92 Å²	92	118.4 Å²	118.4	64%	0.643	73%	0.729	S	S	*	*				-45	126.7	107.1	-156.2	0	0	0	0	110.2	I2250	I2250-S2733 WeakPolarHBondContact CD1-O 2.56Å; I2250-S2733 WeakPolarHBondContact CG1-O 3.17Å
2734	I	30.5	Very low	30.4	Very low	135 Å²	135	123.2 Å²	123.2	69%	0.692	74%	0.74	S	S	*	*			trans	-62.8	108.4	146.7	-56.5	165.5	0	0	0	111.9	V2247 P2248 I2250	V2247-I2734 HydrophobicContact CG1-CG2 3.3Å; P2248-I2734 WeakPolarHBondContact O-CD1 2.64Å; P2248-I2734 WeakPolarHBondContact O-CG1 2.64Å; I2250-I2734 VanDerWaalsContact CA-CD1 3.45Å; I2250-I2734 HydrophobicContact CB-CD1 2.98Å; I2250-I2734 HydrophobicContact CB-CG1 3.9Å; I2250-I2734 VanDerWaalsContact CD1-CA 3.48Å; I2250-I2734 HydrophobicContact CD1-CB 2.9Å; I2250-I2734 HydrophobicContact CD1-CD1 2.62Å; I2250-I2734 HydrophobicContact CD1-CG1 2.35Å; I2250-I2734 HydrophobicContact CD1-CG2 4.34Å; I2250-I2734 HydrophobicContact CG1-CB 3.75Å; I2250-I2734 HydrophobicContact CG1-CD1 2.19Å; I2250-I2734 HydrophobicContact CG1-CG1 2.62Å; I2250-I2734 HydrophobicContact CG2-CD1 4.43Å
2735	G	30.3	Very low	30.2	Very low	69 Å²	69	122.4 Å²	122.4	71%	0.711	74%	0.74	S	S	*	*			trans	-152.3	73	143	0	0	0	0	0	111.8
2736	S	29.8	Very low	30.1	Very low	104.667 Å²	104.667	127.2 Å²	127.2	73%	0.732	75%	0.753	S	S	*	*				-4.9	136	124.3	-56.3	0	0	0	0	111.3
2737	P	34.4	Very low	30.2	Very low	118.667 Å²	118.667	125.4 Å²	125.4	77%	0.771	75%	0.753	S	S	*	*				-125.1	156.9	109.6	37.8	-20.3	0	0	0	113.9
2738	S	29.1	Very low	30.5	Very low	111 Å²	111	125 Å²	125	78%	0.776	75%	0.748	S	S	*	*			trans	126.9	131.4	170	75	0	0	0	0	112.7
2739	S	32.2	Very low	30.5	Very low	101 Å²	101	123 Å²	123	71%	0.706	74%	0.743	S	S	*	*				-166.4	108.1	110.2	54.9	0	0	0	0	114.7
2740	H	30.3	Very low	30.7	Very low	177 Å²	177	122.9 Å²	122.9	82%	0.819	74%	0.739	S	S	*	*			trans	50.1	137.1	135.7	-71.5	-71.8	0	0	0	116.5
2741	P	31.5	Very low	30.7	Very low	107.333 Å²	107.333	119 Å²	119	70%	0.697	73%	0.726	S	S	*	*			trans	-96	0	-176.3	37.7	-21.2	0	0	0	112.3
2742	D	29.4	Very low	30.9	Very low	145 Å²	145	115.3 Å²	115.3	78%	0.775	71%	0.706	S	S	*	*				0	80.8	0	-114	-10.3	0	0	0	110.9
2743	L	30.4	Very low	31	Very low	146.667 Å²	146.667	117.6 Å²	117.6	77%	0.768	71%	0.705	S	S	*	*				170.4	0	104.6	-140.4	90.3	0	0	0	110.7
2744	F	28.2	Very low	31.1	Very low	201.333 Å²	201.333	121.6 Å²	121.6	88%	0.883	71%	0.711	S	S	*	*				0	0	0	-80.2	-89.6	0	0	0	112.5
2745	T	28.9	Very low	31.1	Very low	99.3333 Å²	99.3333	118.5 Å²	118.5	61%	0.609	70%	0.701	S	S	*	*				0	117.6	0	-67.1	0	0	0	0	110.1
2746	L	29.2	Very low	31.3	Very low	150 Å²	150	120.7 Å²	120.7	79%	0.785	70%	0.697	S	S	*	*			trans	93.3	110.3	134	-92.2	148.5	0	0	0	115.4
2747	V	33.4	Very low	31.3	Very low	121.667 Å²	121.667	123.8 Å²	123.8	74%	0.737	69%	0.694	S	S	*	*			trans	68.3	135.4	135.4	176.7	0	0	0	0	115.2	D2749	V2747-D2749 HydrophobicContact CG1-CB 3.92Å
2748	P	32.5	Very low	31.3	Very low	104.667 Å²	104.667	124.9 Å²	124.9	68%	0.68	69%	0.688	S	S	*	*				-119.2	162.7	75.3	37.9	-22.9	0	0	0	114.3	D2750	P2748-D2750 PolarHBondContact O-N 3.47Å
2749	D	30.5	Very low	31.4	Very low	124.667 Å²	124.667	127.7 Å²	127.7	67%	0.667	69%	0.689	S	S	*	*			trans	-0.2	141.5	131.6	-87.5	-46.8	0	0	0	113.9	Q2479 V2747	Q2479-D2749 PolarHBondContact NE2-OD1 3.29Å; V2747-D2749 HydrophobicContact CG1-CB 3.92Å
2750	D	33.3	Very low	31.4	Very low	112 Å²	112	128.4 Å²	128.4	60%	0.599	69%	0.694	S	S	*	*				-169.3	154.1	112.1	-142.4	10.2	0	0	0	114.7	V2320 T2321 N2322 P2748	V2320-D2750 WeakPolarHBondContact CA-OD1 3.18Å; V2320-D2750 PolarHBondContact N-OD1 2.61Å; T2321-D2750 WeakPolarHBondContact CA-OD2 3.01Å; T2321-D2750 PolarHBondContact N-OD1 3.1Å; T2321-D2750 PolarHBondContact N-OD2 2.73Å; N2322-D2750 PolarHBondContact N-OD2 3.32Å; P2748-D2750 PolarHBondContact O-N 3.47Å
2751	S	31.4	Very low	31.5	Very low	88.6667 Å²	88.6667	122.8 Å²	122.8	62%	0.62	68%	0.684	S	S	*	*			trans	-65.4	145.9	166.8	63	0	0	0	0	113.1	S2319 V2320	S2319-S2751 CarbonylContact C-O 2.6Å; S2319-S2751 CovalentContact CA-O 1.47Å; S2319-S2751 WeakPolarHBondContact CA-O 3.46Å; S2319-S2751 WeakPolarHBondContact CB-O 3.19Å; S2319-S2751 VanDerWaalsContact N-C 3.26Å; S2319-S2751 PolarHBondContact N-O 3.37Å; S2319-S2751 PolarHBondContact N-OG 3.38Å; S2319-S2751 VanDerWaalsContact N-OG 3.09Å; V2320-S2751 PolarHBondContact N-O 2.96Å
2752	G	32.1	Very low	31.6	Very low	38.6667 Å²	38.6667	125.4 Å²	125.4	40%	0.399	69%	0.69	S	S	.	*			cis	166	158.1	24.8	0	0	0	0	0	111.4	S2319 T2321	S2319-G2752 VanDerWaalsContact OG-CA 3.29Å; S2319-G2752 WeakPolarHBondContact OG-CA 3.34Å; T2321-G2752 WeakPolarHBondContact CB-O 3.4Å; T2321-G2752 VanDerWaalsContact CG2-C 3.42Å; T2321-G2752 WeakPolarHBondContact CG2-O 2.99Å; T2321-G2752 PolarHBondContact OG1-O 2.84Å
2753	V	32	Very low	31.8	Very low	121.333 Å²	121.333	123.2 Å²	123.2	74%	0.735	69%	0.686	S	S	*	*			trans	67.3	96.9	144.9	-170.3	0	0	0	0	115.8
2754	K	33.8	Very low	31.8	Very low	175.667 Å²	175.667	125.1 Å²	125.1	76%	0.764	69%	0.691	S	S	*	*				88.1	125.6	120.4	-122.8	-169	177.4	179.8	0	116.9	P2870 L2871	K2754-P2870 VanDerWaalsContact C-C 3.43Å; K2754-P2870 CarbonylContact C-O 3.36Å; K2754-P2870 CarbonylContact O-C 3.59Å; K2754-P2870 WeakPolarHBondContact O-CA 3.44Å; K2754-P2870 VanDerWaalsContact O-O 3.14Å; K2754-L2871 VanDerWaalsContact O-CA 3.28Å; K2754-L2871 WeakPolarHBondContact O-CA 3.22Å; K2754-L2871 PolarHBondContact O-N 2.88Å; K2754-L2871 VanDerWaalsContact O-N 3.12Å
2755	S	31	Very low	32	Very low	70 Å²	70	119.7 Å²	119.7	49%	0.49	68%	0.683	S	S	.	*				93.4	136.8	97.2	43.5	0	0	0	0	117	P2870 L2871 A2872	S2755-P2870 VanDerWaalsContact N-C 3.32Å; S2755-P2870 PolarHBondContact N-O 2.96Å; S2755-L2871 VanDerWaalsContact N-CA 3.33Å; S2755-A2872 PolarHBondContact OG-N 2.78Å
2756	D	33.4	Very low	32	Very low	116.333 Å²	116.333	121.3 Å²	121.3	62%	0.622	69%	0.693	S	S	*	*			trans	154.4	133.1	152.9	-63.7	-46.8	0	0	0	117.8	L2871 A2872 A2873	D2756-L2871 PolarHBondContact N-O 3.25Å; D2756-A2872 CarbonylContact C-O 3.45Å; D2756-A2872 VanDerWaalsContact CA-O 3.27Å; D2756-A2872 WeakPolarHBondContact CA-O 3.41Å; D2756-A2872 WeakPolarHBondContact CB-O 3.48Å; D2756-A2872 PolarHBondContact N-O 3.49Å; D2756-A2873 WeakPolarHBondContact OD2-CA 3.34Å; D2756-A2873 PolarHBondContact OD2-N 2.79Å; D2756-A2873 VanDerWaalsContact OD2-N 3.08Å
2757	Y	30.5	Very low	31.9	Very low	169.667 Å²	169.667	119.2 Å²	119.2	67%	0.665	69%	0.689	S	S	*	*			trans	72.1	110.8	132.1	-90.2	-121.4	0	0	0	119.3	A2873 Y2874	Y2757-A2873 WeakPolarHBondContact CD1-O 3.22Å; Y2757-A2873 WeakPolarHBondContact CE1-O 3.41Å; Y2757-A2873 VanDerWaalsContact CG-O 3.27Å; Y2757-Y2874 PolarHBondContact OH-O 2.89Å
2758	H	34	Very low	31.8	Very low	141.333 Å²	141.333	119.9 Å²	119.9	65%	0.654	69%	0.694	S	S	*	*			trans	80.7	120.7	130.1	-68.3	-75.7	0	0	0	117.5
2759	Q	31.6	Very low	31.6	Very low	170 Å²	170	126.4 Å²	126.4	79%	0.794	71%	0.705	S	S	*	*				136.4	124.1	79.7	-154.5	162.6	-4.6	0	0	114.7
2760	S	31.2	Very low	31.6	Very low	116 Å²	116	125.4 Å²	125.4	81%	0.811	71%	0.708	S	S	*	*			trans	79.9	113.1	133.6	-178	0	0	0	0	118
2761	G	32.7	Very low	31.5	Very low	58.3333 Å²	58.3333	127.6 Å²	127.6	60%	0.601	72%	0.72	S	S	*	*			trans	152.1	101.1	133.2	0	0	0	0	0	116.5
2762	I	34.2	Very low	31.3	Very low	162 Å²	162	128.4 Å²	128.4	83%	0.831	73%	0.725	S	S	*	*				47.1	125.1	127.2	49.2	166.9	0	0	0	117.6
2763	S	32.9	Very low	31	Very low	98 Å²	98	131.8 Å²	131.8	69%	0.685	74%	0.743	S	S	*	*				122.1	124.8	84.7	-74.2	0	0	0	0	114.5
2764	E	31	Very low	30.8	Very low	187.333 Å²	187.333	130 Å²	130	88%	0.875	74%	0.741	S	S	*	*				92.9	144.4	110.6	-85.2	-172.8	168.1	0	0	115.5
2765	A	32.3	Very low	30.4	Very low	87.3333 Å²	87.3333	127.9 Å²	127.9	72%	0.722	74%	0.743	S	S	*	*			trans	150.8	131.8	141.4	0	0	0	0	0	114.6
2766	V	29.8	Very low	30.3	Very low	133 Å²	133	131.2 Å²	131.2	81%	0.806	75%	0.754	S	S	*	*				67.8	106.3	127.7	179.1	0	0	0	0	116.4
2767	C	26.7	Very low	30	Very low	106.333 Å²	106.333	131.1 Å²	131.1	72%	0.718	76%	0.758	S	S	*	*				111.7	134.5	83.3	-98.5	0	0	0	0	116.6
2768	T	30.9	Very low	29.8	Very low	136 Å²	136	127.9 Å²	127.9	83%	0.834	76%	0.759	S	S	*	*			trans	87.2	0	147	47.1	0	0	0	0	116.3
2769	R	28.7	Very low	29.6	Very low	242 Å²	242	126.4 Å²	126.4	91%	0.913	76%	0.76	S	S	*	*				0	0	0	-174.3	174.7	-173.2	-177.8	-0.4	111.5
2770	S	30.6	Very low	29.4	Very low	104 Å²	104	125.4 Å²	125.4	73%	0.727	76%	0.76	S	S	*	*				0	0	0	-27.8	0	0	0	0	115
2771	N	30	Very low	29.6	Very low	158 Å²	158	124.7 Å²	124.7	85%	0.845	75%	0.752	S	S	*	*				0	0	0	-70.9	-5.1	0	0	0	116
2772	S	27.3	Very low	29.3	Very low	105.333 Å²	105.333	127.3 Å²	127.3	74%	0.737	76%	0.761	S	S	*	*				0	145.7	0	64	0	0	0	0	115.7
2773	S	27	Very low	29	Very low	110.667 Å²	110.667	124.2 Å²	124.2	77%	0.774	75%	0.754	S	S	*	*			trans	94.6	133.8	131.8	91.2	0	0	0	0	116.9
2774	A	26.5	Very low	28.8	Very low	83.6667 Å²	83.6667	125.8 Å²	125.8	69%	0.691	76%	0.76	S	S	*	*				89.9	114.5	129.3	0	0	0	0	0	116.9
2775	V	26.6	Very low	28.6	Very low	131.333 Å²	131.333	124.1 Å²	124.1	80%	0.796	76%	0.756	S	S	*	*				88.2	115	124.1	179.9	0	0	0	0	115
2776	N	28.9	Very low	28.5	Very low	138 Å²	138	124.8 Å²	124.8	74%	0.738	76%	0.756	S	S	*	*				101.5	114.2	125.5	-103.9	-13.3	0	0	0	115.2	R2892	N2776-R2892 PolarHBondContact ND2-NH2 2.96Å; N2776-R2892 PolarHBondContact OD1-NH1 3.46Å; N2776-R2892 PolarHBondContact OD1-NH2 2.86Å
2777	V	27.1	Very low	28.4	Very low	115 Å²	115	124.2 Å²	124.2	70%	0.697	75%	0.752	S	S	*	*			trans	-115.4	108.4	137.3	179	0	0	0	0	112.6	R2892	V2777-R2892 HydrophobicContact CG1-CG 4.21Å
2778	C	25.8	Very low	28.6	Very low	102.667 Å²	102.667	126.3 Å²	126.3	69%	0.694	76%	0.756	S	S	*	*				-151.9	126.6	128.6	-124.4	0	0	0	0	108.4
2779	V	29.3	Very low	28.6	Very low	109.667 Å²	109.667	127.3 Å²	127.3	67%	0.665	75%	0.749	S	S	*	*				92.8	0	76.5	-177	0	0	0	0	110	E2895	V2779-E2895 HydrophobicContact CG2-CB 4.48Å; V2779-E2895 HydrophobicContact CG2-CG 3.71Å; V2779-E2895 WeakPolarHBondContact CG2-OE1 3.29Å
2780	D	28.4	Very low	28.6	Very low	148.333 Å²	148.333	122.5 Å²	122.5	79%	0.793	74%	0.737	S	S	*	*				0	0	0	-114.8	-11	0	0	0	112.2
2781	P	34.4	Very low	28.4	Very low	101.333 Å²	101.333	125.6 Å²	125.6	66%	0.658	74%	0.738	S	S	*	*				0	152.7	0	38.8	-26	0	0	0	113.8
2782	S	27.5	Very low	28.4	Very low	112.333 Å²	112.333	122.3 Å²	122.3	79%	0.786	73%	0.727	S	S	*	*			trans	154.9	117.2	150.1	-60.6	0	0	0	0	114
2783	S	28.1	Very low	28.3	Very low	98.3333 Å²	98.3333	124.2 Å²	124.2	69%	0.688	73%	0.729	S	S	*	*			trans	137.4	119.8	145.1	68.8	0	0	0	0	112.8	L2785	S2783-L2785 PolarHBondContact O-N 3.08Å; S2783-L2785 WeakPolarHBondContact OG-CD1 3.4Å
2784	T	27.5	Very low	28.3	Very low	130.667 Å²	130.667	124.4 Å²	124.4	80%	0.802	73%	0.731	S	S	*	*			cis	44.4	111	48.5	51.1	0	0	0	0	110.3
2785	L	27.8	Very low	28.3	Very low	151.333 Å²	151.333	127.9 Å²	127.9	79%	0.792	74%	0.736	S	S	*	*				-79.4	139.4	126.3	-78.2	130.4	0	0	0	112.5	S2783 V2787	S2783-L2785 PolarHBondContact O-N 3.08Å; S2783-L2785 WeakPolarHBondContact OG-CD1 3.4Å; L2785-V2787 PolarHBondContact O-N 3.16Å
2786	S	29.3	Very low	28.5	Very low	103 Å²	103	129 Å²	129	72%	0.72	74%	0.735	S	S	*	*				-126.6	126	50.8	24.6	0	0	0	0	111.2	N2788	S2786-N2788 PolarHBondContact O-N 3.04Å
2787	V	28.1	Very low	28.4	Very low	120.333 Å²	120.333	126.6 Å²	126.6	73%	0.729	73%	0.73	S	S	*	*			trans	-67.5	0	147.1	-178.3	0	0	0	0	111.7	L2785 K2789	L2785-V2787 PolarHBondContact O-N 3.16Å; V2787-K2789 HydrophobicContact CG1-CB 3.93Å; V2787-K2789 HydrophobicContact CG1-CD 4.33Å; V2787-K2789 HydrophobicContact CG1-CG 4.49Å; V2787-K2789 PolarHBondContact O-N 2.93Å
2788	N	30.3	Very low	28.5	Very low	151 Å²	151	128.4 Å²	128.4	81%	0.807	73%	0.733	S	S	*	*				0	106.4	0	-81.4	-31	0	0	0	110.1	S2786	S2786-N2788 PolarHBondContact O-N 3.04Å
2789	K	31.7	Very low	28.5	Very low	155.333 Å²	155.333	129.6 Å²	129.6	68%	0.675	73%	0.732	S	S	*	*			cis	-168.3	0	34.2	-153.7	173.8	179	-178.1	0	110.9	V2787 F2791	V2787-K2789 HydrophobicContact CG1-CB 3.93Å; V2787-K2789 HydrophobicContact CG1-CD 4.33Å; V2787-K2789 HydrophobicContact CG1-CG 4.49Å; V2787-K2789 PolarHBondContact O-N 2.93Å; K2789-F2791 HydrophobicContact CB-CD2 4.39Å; K2789-F2791 HydrophobicContact CB-CE2 4.44Å; K2789-F2791 HydrophobicContact CD-CE2 3.88Å; K2789-F2791 HydrophobicContact CD-CZ 4.47Å; K2789-F2791 HydrophobicContact CG-CD2 4.31Å; K2789-F2791 HydrophobicContact CG-CE2 4.04Å; K2789-F2791 PolarHBondContact O-N 3.23Å
2790	E	28.1	Very low	28.7	Very low	142 Å²	142	131.9 Å²	131.9	66%	0.664	74%	0.735	S	S	*	*				0	106.2	0	-114	173.8	166.7	0	0	116.4	L2950	E2790-L2950 HydrophobicContact CB-CD1 3.71Å; E2790-L2950 HydrophobicContact CB-CD2 3.78Å; E2790-L2950 HydrophobicContact CB-CG 4.38Å; E2790-L2950 HydrophobicContact CG-CD2 4.33Å
2791	F	27.3	Very low	28.7	Very low	169 Å²	169	130.2 Å²	130.2	74%	0.741	74%	0.735	S	S	*	*				62.5	110.6	126.1	-77.6	-70.3	0	0	0	114.1	K2789	K2789-F2791 HydrophobicContact CB-CD2 4.39Å; K2789-F2791 HydrophobicContact CB-CE2 4.44Å; K2789-F2791 HydrophobicContact CD-CE2 3.88Å; K2789-F2791 HydrophobicContact CD-CZ 4.47Å; K2789-F2791 HydrophobicContact CG-CD2 4.31Å; K2789-F2791 HydrophobicContact CG-CE2 4.04Å; K2789-F2791 PolarHBondContact O-N 3.23Å
2792	S	28.9	Very low	28.6	Very low	89.3333 Å²	89.3333	130.9 Å²	130.9	63%	0.625	74%	0.742	S	S	*	*				-131.2	117.7	110	-3.9	0	0	0	0	111.6
2793	D	26.7	Very low	29.3	Very low	145.333 Å²	145.333	128.8 Å²	128.8	78%	0.777	73%	0.732	S	S	*	*			trans	-53.9	0	158.8	-65.2	-41.9	0	0	0	115
2794	S	27.2	Very low	30.1	Very low	115.333 Å²	115.333	127.5 Å²	127.5	81%	0.807	72%	0.72	S	S	*	*				0	86.6	0	-81.8	0	0	0	0	111.9	I2796	S2794-I2796 PolarHBondContact O-N 2.84Å
2795	I	26.5	Very low	31.1	Very low	156.667 Å²	156.667	124.4 Å²	124.4	80%	0.803	70%	0.698	S	S	*	*			trans	-137.5	99.2	160.5	-58.5	173.8	0	0	0	108.9	S2797	I2795-S2797 PolarHBondContact O-N 2.83Å
2796	I	29.2	Very low	32.6	Very low	153 Å²	153	118.2 Å²	118.2	79%	0.785	67%	0.666	S	S	*	*			trans	-130.1	0	145.4	-57.3	178	0	0	0	109	S2794 M2798	S2794-I2796 PolarHBondContact O-N 2.84Å; I2796-M2798 HydrophobicContact CG2-CB 4.47Å; I2796-M2798 HydrophobicContact CG2-CG 3.84Å; I2796-M2798 PolarHBondContact O-N 3.46Å
2797	S	26.6	Very low	33.7	Very low	89.3333 Å²	89.3333	116.3 Å²	116.3	63%	0.625	65%	0.651	S	S	*	*				0	84.4	0	179	0	0	0	0	111.8	I2795 N2799	I2795-S2797 PolarHBondContact O-N 2.83Å; S2797-N2799 PolarHBondContact O-N 3.25Å; S2797-N2799 VanDerWaalsContact O-N 3.14Å
2798	M	29.9	Very low	35.2	Very low	152.333 Å²	152.333	114.8 Å²	114.8	75%	0.75	64%	0.638	S	S	*	*			trans	-106.4	0	153.7	-84.4	-89.3	146.9	0	0	109.6	I2796 H2800	I2796-M2798 HydrophobicContact CG2-CB 4.47Å; I2796-M2798 HydrophobicContact CG2-CG 3.84Å; I2796-M2798 PolarHBondContact O-N 3.46Å; M2798-H2800 VanDerWaalsContact C-N 3.3Å; M2798-H2800 PolarHBondContact O-N 3.28Å
2799	N	26	Very low	37.2	Very low	127.667 Å²	127.667	110.2 Å²	110.2	68%	0.683	61%	0.611	S	S	*	*				0	0	0	-78.9	-27.8	0	0	0	110.8	S2797 S2801	S2797-N2799 PolarHBondContact O-N 3.25Å; S2797-N2799 VanDerWaalsContact O-N 3.14Å; N2799-S2801 VanDerWaalsContact C-N 3.31Å
2800	H	32.6	Very low	39	Very low	158.333 Å²	158.333	104 Å²	104	73%	0.733	59%	0.586	S	S	*	*				0	76.1	0	-73.5	-52.8	0	0	0	110.6	M2798 S2802	M2798-H2800 VanDerWaalsContact C-N 3.3Å; M2798-H2800 PolarHBondContact O-N 3.28Å; H2800-S2802 PolarHBondContact O-N 3.09Å
2801	S	29.8	Very low	41.1	Very low	112.5 Å²	112.5	98.6 Å²	98.6	79%	0.787	56%	0.562	S	S	*	*			trans	-11.1	51.9	160	-47	0	0	0	0	116.1	N2799 A2803	N2799-S2801 VanDerWaalsContact C-N 3.31Å; S2801-A2803 VanDerWaalsContact C-N 3.29Å; S2801-A2803 PolarHBondContact O-N 3.18Å
2802	S	32.1	Very low	43.5	Very low	116 Å²	116	92.5 Å²	92.5	81%	0.811	54%	0.538	S	S	*	.	S	Bend	trans	-85.8	94	167.2	-172	0	0	0	0	109.1	H2800 V2804	H2800-S2802 PolarHBondContact O-N 3.09Å; S2802-V2804 PolarHBondContact O-N 3.29Å
2803	A	41.9	Very low	45.6	Very low	68.5 Å²	68.5	91.3 Å²	91.3	57%	0.566	52%	0.522	S	S	*	.			trans	-11.8	93.1	173.9	0	0	0	0	0	113.5	S2801 L2805	S2801-A2803 VanDerWaalsContact C-N 3.29Å; S2801-A2803 PolarHBondContact O-N 3.18Å; A2803-L2805 HydrophobicContact CB-CB 4.37Å; A2803-L2805 HydrophobicContact CB-CD1 3.87Å; A2803-L2805 HydrophobicContact CB-CG 4.02Å; A2803-L2805 PolarHBondContact O-N 3.04Å; A2803-L2805 VanDerWaalsContact O-N 3.12Å
2804	V	44	Very low	47.9	Very low	71 Å²	71	86 Å²	86	43%	0.43	50%	0.495	S	S	.	.			trans	-73.5	83.4	155	-178.5	0	0	0	0	107.9	S2802 T2806	S2802-V2804 PolarHBondContact O-N 3.29Å; V2804-T2806 VanDerWaalsContact C-N 3.34Å; V2804-T2806 PolarHBondContact O-N 2.98Å
2805	L	49.8	Very low	49.8	Very low	66 Å²	66	81.9 Å²	81.9	35%	0.346	47%	0.468	S	S	.	.			trans	-77.9	110.9	168.7	-75.3	129.8	0	0	0	107.7	A2803 P2807 H2809 V2810 F2813	A2803-L2805 HydrophobicContact CB-CB 4.37Å; A2803-L2805 HydrophobicContact CB-CD1 3.87Å; A2803-L2805 HydrophobicContact CB-CG 4.02Å; A2803-L2805 PolarHBondContact O-N 3.04Å; A2803-L2805 VanDerWaalsContact O-N 3.12Å; L2805-P2807 WeakPolarHBondContact O-CD 3.46Å; L2805-H2809 HydrophobicContact CB-CB 4.11Å; L2805-H2809 HydrophobicContact CD2-CB 4.3Å; L2805-H2809 HydrophobicContact CG-CB 3.99Å; L2805-V2810 HydrophobicContact CB-CG2 4.05Å; L2805-V2810 HydrophobicContact CD2-CG2 4Å; L2805-F2813 HydrophobicContact CD2-CD2 3.64Å; L2805-F2813 HydrophobicContact CD2-CE2 3.82Å; L2805-F2813 HydrophobicContact CG-CE2 4.35Å
2806	T	58.7	Low	51.7	Low	21 Å²	21	75.8 Å²	75.8	13%	0.129	44%	0.441	C	S	.	.			trans	-65.7	133.1	168.3	62.7	0	0	0	0	108.8	V2804 M2808 H2809 V2810	V2804-T2806 VanDerWaalsContact C-N 3.34Å; V2804-T2806 PolarHBondContact O-N 2.98Å; T2806-M2808 PolarHBondContact O-N 3.34Å; T2806-H2809 WeakPolarHBondContact O-CA 3.48Å; T2806-H2809 WeakPolarHBondContact O-CB 3.48Å; T2806-H2809 PolarHBondContact O-CE1 3.2Å; T2806-H2809 PolarHBondContact O-N 2.96Å; T2806-H2809 PolarHBondContact O-NE2 2.79Å; T2806-H2809 PolarHBondContact OG1-ND1 3.39Å; T2806-V2810 PolarHBondContact O-N 3.37Å; T2806-V2810 VanDerWaalsContact O-N 3.17Å
2807	P	51.8	Low	53	Low	61.5 Å²	61.5	72.6 Å²	72.6	40%	0.399	43%	0.425	S	S	.	.			trans	-65.2	-22.5	179.3	-17.1	30.4	0	0	0	112.1	L2805 H2809 V2810 L2811	L2805-P2807 WeakPolarHBondContact O-CD 3.46Å; P2807-H2809 VanDerWaalsContact C-CE1 3.48Å; P2807-H2809 VanDerWaalsContact C-ND1 3.35Å; P2807-H2809 PolarHBondContact O-CE1 3.33Å; P2807-H2809 PolarHBondContact O-ND1 3.42Å; P2807-H2809 VanDerWaalsContact O-ND1 3.08Å; P2807-V2810 PolarHBondContact O-N 3.34Å; P2807-L2811 WeakPolarHBondContact O-CB 3.25Å; P2807-L2811 PolarHBondContact O-N 3.39Å
2808	M	59.4	Low	54	Low	90.5 Å²	90.5	72.1 Å²	72.1	45%	0.446	43%	0.427	S	S	.	.			trans	-94.6	41.8	-170.7	-72.9	-66.6	-70.7	0	0	111.9	T2806 T2812	T2806-M2808 PolarHBondContact O-N 3.34Å; M2808-T2812 VanDerWaalsContact O-CB 3.29Å; M2808-T2812 WeakPolarHBondContact O-CB 3.34Å; M2808-T2812 PolarHBondContact O-N 2.86Å; M2808-T2812 PolarHBondContact O-OG1 2.68Å
2809	H	72.1	Confident	54.5	Low	53 Å²	53	68.2 Å²	68.2	25%	0.245	42%	0.419	C	S	.	.			trans	-99.9	-132.3	-174.4	-65.8	91.5	0	0	0	110.8	L2805 T2806 P2807 L2811 T2812 F2813	L2805-H2809 HydrophobicContact CB-CB 4.11Å; L2805-H2809 HydrophobicContact CD2-CB 4.3Å; L2805-H2809 HydrophobicContact CG-CB 3.99Å; T2806-H2809 WeakPolarHBondContact O-CA 3.48Å; T2806-H2809 WeakPolarHBondContact O-CB 3.48Å; T2806-H2809 PolarHBondContact O-CE1 3.2Å; T2806-H2809 PolarHBondContact O-N 2.96Å; T2806-H2809 PolarHBondContact O-NE2 2.79Å; T2806-H2809 PolarHBondContact OG1-ND1 3.39Å; P2807-H2809 VanDerWaalsContact C-CE1 3.48Å; P2807-H2809 VanDerWaalsContact C-ND1 3.35Å; P2807-H2809 PolarHBondContact O-CE1 3.33Å; P2807-H2809 PolarHBondContact O-ND1 3.42Å; P2807-H2809 VanDerWaalsContact O-ND1 3.08Å; H2809-L2811 VanDerWaalsContact C-N 3.32Å; H2809-L2811 PolarHBondContact O-N 3.27Å; H2809-T2812 CarbonylContact O-C 3.41Å; H2809-T2812 WeakPolarHBondContact O-CB 3.37Å; H2809-T2812 PolarHBondContact O-N 2.71Å; H2809-T2812 VanDerWaalsContact O-N 3.1Å; H2809-F2813 WeakPolarHBondContact O-CD2 3.36Å; H2809-F2813 PolarHBondContact O-N 2.9Å
2810	V	70.6	Confident	54.9	Low	25.5 Å²	25.5	66.8 Å²	66.8	16%	0.155	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	39.8	177	176.5	0	0	0	0	109.7	L2805 T2806 P2807 T2812 F2813 V2814	L2805-V2810 HydrophobicContact CB-CG2 4.05Å; L2805-V2810 HydrophobicContact CD2-CG2 4Å; T2806-V2810 PolarHBondContact O-N 3.37Å; T2806-V2810 VanDerWaalsContact O-N 3.17Å; P2807-V2810 PolarHBondContact O-N 3.34Å; V2810-T2812 VanDerWaalsContact C-N 3.28Å; V2810-T2812 PolarHBondContact O-N 2.71Å; V2810-F2813 PolarHBondContact O-N 2.83Å; V2810-V2814 WeakPolarHBondContact O-CG2 3.42Å; V2810-V2814 PolarHBondContact O-N 2.87Å
2811	L	73.1	Confident	54.9	Low	28.5 Å²	28.5	64.2 Å²	64.2	15%	0.149	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	36.1	178.2	-159.7	80	0	0	0	110.9	P2807 H2809 F2813 A2815 L2913	P2807-L2811 WeakPolarHBondContact O-CB 3.25Å; P2807-L2811 PolarHBondContact O-N 3.39Å; H2809-L2811 VanDerWaalsContact C-N 3.32Å; H2809-L2811 PolarHBondContact O-N 3.27Å; L2811-F2813 HydrophobicContact CD2-CE2 3.5Å; L2811-F2813 HydrophobicContact CD2-CZ 3.62Å; L2811-F2813 HydrophobicContact CG-CD2 4.36Å; L2811-F2813 HydrophobicContact CG-CE2 3.65Å; L2811-F2813 HydrophobicContact CG-CZ 4.03Å; L2811-A2815 WeakPolarHBondContact O-CB 3.44Å; L2811-A2815 PolarHBondContact O-N 2.87Å; L2811-L2913 HydrophobicContact CD1-CD1 3.86Å; L2811-L2913 HydrophobicContact CD2-CD1 4.07Å; L2811-L2913 HydrophobicContact CG-CD1 4.41Å
2812	T	76.4	Confident	55	Low	42 Å²	42	64.6 Å²	64.6	26%	0.258	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	45.9	-179.6	-61.9	0	0	0	0	111.1	M2808 H2809 V2810 A2816	M2808-T2812 VanDerWaalsContact O-CB 3.29Å; M2808-T2812 WeakPolarHBondContact O-CB 3.34Å; M2808-T2812 PolarHBondContact O-N 2.86Å; M2808-T2812 PolarHBondContact O-OG1 2.68Å; H2809-T2812 CarbonylContact O-C 3.41Å; H2809-T2812 WeakPolarHBondContact O-CB 3.37Å; H2809-T2812 PolarHBondContact O-N 2.71Å; H2809-T2812 VanDerWaalsContact O-N 3.1Å; V2810-T2812 VanDerWaalsContact C-N 3.28Å; V2810-T2812 PolarHBondContact O-N 2.71Å; T2812-A2816 WeakPolarHBondContact O-CA 3.27Å; T2812-A2816 WeakPolarHBondContact O-CB 3.4Å; T2812-A2816 PolarHBondContact O-N 3.02Å
2813	F	74.2	Confident	54.9	Low	62.5 Å²	62.5	64.2 Å²	64.2	27%	0.274	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	39.5	173.6	-73.4	-80.8	0	0	0	111.1	L2805 H2809 V2810 L2811 A2816 N2817	L2805-F2813 HydrophobicContact CD2-CD2 3.64Å; L2805-F2813 HydrophobicContact CD2-CE2 3.82Å; L2805-F2813 HydrophobicContact CG-CE2 4.35Å; H2809-F2813 WeakPolarHBondContact O-CD2 3.36Å; H2809-F2813 PolarHBondContact O-N 2.9Å; V2810-F2813 PolarHBondContact O-N 2.83Å; L2811-F2813 HydrophobicContact CD2-CE2 3.5Å; L2811-F2813 HydrophobicContact CD2-CZ 3.62Å; L2811-F2813 HydrophobicContact CG-CD2 4.36Å; L2811-F2813 HydrophobicContact CG-CE2 3.65Å; L2811-F2813 HydrophobicContact CG-CZ 4.03Å; F2813-A2816 PolarHBondContact O-N 2.94Å; F2813-N2817 PolarHBondContact O-N 2.82Å
2814	V	73.2	Confident	54.4	Low	35.5 Å²	35.5	69.2 Å²	69.2	22%	0.215	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	42.2	168.6	179.2	0	0	0	0	109.2	V2810 A2816 N2817 A2818 Y2910	V2810-V2814 WeakPolarHBondContact O-CG2 3.42Å; V2810-V2814 PolarHBondContact O-N 2.87Å; V2814-A2816 VanDerWaalsContact C-N 3.35Å; V2814-A2816 PolarHBondContact O-N 3.27Å; V2814-N2817 PolarHBondContact O-N 2.95Å; V2814-A2818 PolarHBondContact O-N 3.18Å; V2814-Y2910 WeakPolarHBondContact CG1-OH 3.18Å
2815	A	68.2	Low	53.9	Low	29 Å²	29	73.2 Å²	73.2	24%	0.24	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	53.2	174.8	0	0	0	0	0	112	L2811 A2818 A2819	L2811-A2815 WeakPolarHBondContact O-CB 3.44Å; L2811-A2815 PolarHBondContact O-N 2.87Å; A2815-A2818 PolarHBondContact O-N 3.38Å; A2815-A2819 WeakPolarHBondContact O-CB 3.23Å; A2815-A2819 PolarHBondContact O-N 2.89Å
2816	A	65.6	Low	53	Low	28.5 Å²	28.5	76.7 Å²	76.7	24%	0.236	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-125.4	173.4	0	0	0	0	0	111	T2812 F2813 V2814 A2818 A2819 T2820	T2812-A2816 WeakPolarHBondContact O-CA 3.27Å; T2812-A2816 WeakPolarHBondContact O-CB 3.4Å; T2812-A2816 PolarHBondContact O-N 3.02Å; F2813-A2816 PolarHBondContact O-N 2.94Å; V2814-A2816 VanDerWaalsContact C-N 3.35Å; V2814-A2816 PolarHBondContact O-N 3.27Å; A2816-A2818 VanDerWaalsContact C-N 3.26Å; A2816-A2818 PolarHBondContact O-N 3.46Å; A2816-A2819 PolarHBondContact O-N 2.83Å; A2816-A2819 VanDerWaalsContact O-N 3.11Å; A2816-T2820 WeakPolarHBondContact O-CG2 3.47Å; A2816-T2820 PolarHBondContact O-N 3.24Å; A2816-T2820 PolarHBondContact O-OG1 2.84Å; A2816-T2820 VanDerWaalsContact O-OG1 3.06Å
2817	N	57.7	Low	51.5	Low	84.5 Å²	84.5	81 Å²	81	45%	0.452	48%	0.482	S	S	.	.			trans	-81.6	51.5	168.6	-78.6	-2.1	0	0	0	111.2	F2813 V2814 A2819 T2820	F2813-N2817 PolarHBondContact O-N 2.82Å; V2814-N2817 PolarHBondContact O-N 2.95Å; N2817-A2819 PolarHBondContact O-N 3.43Å; N2817-T2820 PolarHBondContact O-OG1 2.95Å
2818	A	46.7	Very low	50.4	Low	79.5 Å²	79.5	84.2 Å²	84.2	66%	0.657	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-73.2	-10.3	178.9	0	0	0	0	0	114.3	V2814 A2815 A2816 T2820 S2821	V2814-A2818 PolarHBondContact O-N 3.18Å; A2815-A2818 PolarHBondContact O-N 3.38Å; A2816-A2818 VanDerWaalsContact C-N 3.26Å; A2816-A2818 PolarHBondContact O-N 3.46Å; A2818-T2820 PolarHBondContact O-N 3.09Å; A2818-S2821 PolarHBondContact O-N 2.83Å; A2818-S2821 PolarHBondContact O-OG 2.99Å
2819	A	40.1	Very low	49.2	Very low	70.5 Å²	70.5	85 Å²	85	58%	0.583	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-73.7	-22.4	178.4	0	0	0	0	0	113.4	A2815 A2816 N2817 S2821 T2822	A2815-A2819 WeakPolarHBondContact O-CB 3.23Å; A2815-A2819 PolarHBondContact O-N 2.89Å; A2816-A2819 PolarHBondContact O-N 2.83Å; A2816-A2819 VanDerWaalsContact O-N 3.11Å; N2817-A2819 PolarHBondContact O-N 3.43Å; A2819-S2821 VanDerWaalsContact C-N 3.33Å; A2819-S2821 PolarHBondContact O-N 3.01Å; A2819-T2822 PolarHBondContact O-N 3.49Å
2820	T	35.8	Very low	47.2	Very low	98.5 Å²	98.5	89 Å²	89	60%	0.604	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-84.4	32.5	175.2	53.7	0	0	0	0	113.4	A2816 N2817 A2818 T2822	A2816-T2820 WeakPolarHBondContact O-CG2 3.47Å; A2816-T2820 PolarHBondContact O-N 3.24Å; A2816-T2820 PolarHBondContact O-OG1 2.84Å; A2816-T2820 VanDerWaalsContact O-OG1 3.06Å; N2817-T2820 PolarHBondContact O-OG1 2.95Å; A2818-T2820 PolarHBondContact O-N 3.09Å; T2820-T2822 PolarHBondContact O-N 2.97Å
2821	S	32.3	Very low	45.3	Very low	104 Å²	104	91.7 Å²	91.7	73%	0.727	57%	0.569	S	S	*	*			trans	-108.5	37.5	168.6	-67.8	0	0	0	0	112.6	A2818 A2819	A2818-S2821 PolarHBondContact O-N 2.83Å; A2818-S2821 PolarHBondContact O-OG 2.99Å; A2819-S2821 VanDerWaalsContact C-N 3.33Å; A2819-S2821 PolarHBondContact O-N 3.01Å
2822	T	31.5	Very low	43.4	Very low	121 Å²	121	97.7 Å²	97.7	74%	0.742	60%	0.599	S	S	*	*	S	Bend	trans	-141.9	116.6	167.7	2.5	0	0	0	0	110.2	A2819 T2820 Q2824	A2819-T2822 PolarHBondContact O-N 3.49Å; T2820-T2822 PolarHBondContact O-N 2.97Å; T2822-Q2824 PolarHBondContact O-N 3.31Å
2823	S	29.7	Very low	41.1	Very low	106.5 Å²	106.5	100.6 Å²	100.6	75%	0.745	62%	0.621	S	S	*	*			trans	-112.3	112.7	169.4	-170	0	0	0	0	111
2824	Q	32.4	Very low	39.3	Very low	175 Å²	175	103.5 Å²	103.5	82%	0.818	65%	0.646	S	S	*	*			trans	-12.5	117.4	168	-55.5	-164.6	1.2	0	0	112.5	T2822	T2822-Q2824 PolarHBondContact O-N 3.31Å
2825	H	32.2	Very low	37.3	Very low	155 Å²	155	108.6 Å²	108.6	72%	0.718	67%	0.672	S	S	*	*				-112.4	141.5	-107.4	-111.4	-91	0	0	0	110	C2827	H2825-C2827 PolarHBondContact O-N 3.15Å; H2825-C2827 VanDerWaalsContact O-N 3.07Å
2826	I	31.1	Very low	35.6	Very low	139.5 Å²	139.5	112.8 Å²	112.8	72%	0.715	70%	0.695	S	S	*	*			trans	20.4	127.3	151.9	-63.8	164.8	0	0	0	114.2	T2828	I2826-T2828 HydrophobicContact CG2-CG2 3.84Å; I2826-T2828 VanDerWaalsContact CG2-OG1 3.26Å; I2826-T2828 WeakPolarHBondContact CG2-OG1 3.47Å; I2826-T2828 PolarHBondContact O-N 2.88Å
2827	C	27	Very low	34	Very low	111.5 Å²	111.5	116.1 Å²	116.1	75%	0.753	72%	0.716	S	S	*	*				-122.8	106.4	-104.1	-89.2	0	0	0	0	111.2	H2825	H2825-C2827 PolarHBondContact O-N 3.15Å; H2825-C2827 VanDerWaalsContact O-N 3.07Å
2828	T	30	Very low	32.8	Very low	127 Å²	127	117.6 Å²	117.6	78%	0.779	73%	0.728	S	S	*	*			trans	-23.6	106.1	155.1	56.7	0	0	0	0	115.5	I2826	I2826-T2828 HydrophobicContact CG2-CG2 3.84Å; I2826-T2828 VanDerWaalsContact CG2-OG1 3.26Å; I2826-T2828 WeakPolarHBondContact CG2-OG1 3.47Å; I2826-T2828 PolarHBondContact O-N 2.88Å
2829	S	32.7	Very low	32.2	Very low	107 Å²	107	121.9 Å²	121.9	75%	0.748	74%	0.735	S	S	*	*			trans	-125	124.9	167.4	-77.8	0	0	0	0	112	A2831	S2829-A2831 PolarHBondContact O-N 3.43Å
2830	T	31.2	Very low	31.8	Very low	138.5 Å²	138.5	123.1 Å²	123.1	85%	0.85	74%	0.739	S	S	*	*			trans	16	103.9	157.4	-36.8	0	0	0	0	113.2	I2832	T2830-I2832 HydrophobicContact CG2-CG1 4.2Å; T2830-I2832 PolarHBondContact O-N 2.8Å
2831	A	29.3	Very low	31.6	Very low	82.5 Å²	82.5	123.7 Å²	123.7	68%	0.682	75%	0.748	S	S	*	*			trans	4.2	93.9	171.5	0	0	0	0	0	116.1	S2829 S2833	S2829-A2831 PolarHBondContact O-N 3.43Å; A2831-S2833 PolarHBondContact O-N 2.86Å; A2831-S2833 VanDerWaalsContact O-N 3.12Å
2832	I	33.9	Very low	31.6	Very low	154 Å²	154	123.1 Å²	123.1	79%	0.79	74%	0.743	S	S	*	*			trans	10.4	101.1	158.2	-58.9	171.3	0	0	0	112.9	T2830	T2830-I2832 HydrophobicContact CG2-CG1 4.2Å; T2830-I2832 PolarHBondContact O-N 2.8Å
2833	S	28.8	Very low	31.6	Very low	102.5 Å²	102.5	124 Å²	124	72%	0.717	74%	0.743	S	S	*	*			trans	-30.7	142.5	150.2	-63.8	0	0	0	0	116.1	A2831 N2835	A2831-S2833 PolarHBondContact O-N 2.86Å; A2831-S2833 VanDerWaalsContact O-N 3.12Å; S2833-N2835 PolarHBondContact O-N 2.87Å
2834	P	35	Very low	31.7	Very low	123 Å²	123	126.4 Å²	126.4	80%	0.799	75%	0.747	S	S	*	*				-108	163.8	-105.6	35.4	-26.2	0	0	0	110.7
2835	N	32.1	Very low	31.8	Very low	143 Å²	143	122.7 Å²	122.7	77%	0.765	74%	0.738	S	S	*	*			trans	143.7	137.4	175.2	-122.4	5.9	0	0	0	113.9	S2833	S2833-N2835 PolarHBondContact O-N 2.87Å
2836	V	32.2	Very low	31.7	Very low	116.5 Å²	116.5	121 Å²	121	71%	0.706	74%	0.739	S	S	*	*				79.2	103.8	119.3	179.7	0	0	0	0	113.3
2837	S	32.7	Very low	31.6	Very low	99 Å²	99	119.3 Å²	119.3	69%	0.692	74%	0.739	S	S	*	*				142.7	145.5	89	-46.9	0	0	0	0	117.5
2838	T	32.2	Very low	31.7	Very low	115.5 Å²	115.5	118.9 Å²	118.9	71%	0.709	73%	0.734	S	S	*	*				68.1	123.6	78.6	-3.8	0	0	0	0	116.2
2839	Q	33.8	Very low	32	Very low	170.5 Å²	170.5	120.8 Å²	120.8	80%	0.797	73%	0.733	S	S	*	*				178.3	122.7	73.9	-99.5	161.8	52.9	0	0	106.9
2840	S	31.3	Very low	32	Very low	94.5 Å²	94.5	123.2 Å²	123.2	66%	0.661	73%	0.732	S	S	*	*				59	127.4	82.8	81.9	0	0	0	0	114.8
2841	S	31.2	Very low	32	Very low	112.5 Å²	112.5	123.2 Å²	123.2	79%	0.787	73%	0.726	S	S	*	*				143.4	164.1	71.6	-58.2	0	0	0	0	114
2842	S	33	Very low	32.4	Very low	91 Å²	91	124.2 Å²	124.2	64%	0.636	73%	0.726	S	S	*	*			cis	-170.7	161.4	9	48.9	0	0	0	0	111.9
2843	N	32.3	Very low	32.3	Very low	139 Å²	139	122.2 Å²	122.2	74%	0.743	73%	0.726	S	S	*	*			trans	63.8	114.6	150.2	-57.3	-16.3	0	0	0	119.5
2844	L	31.4	Very low	32.5	Very low	156.5 Å²	156.5	121.4 Å²	121.4	82%	0.819	73%	0.725	S	S	*	*				48.5	149.5	86.8	-100.9	67.9	0	0	0	116.2
2845	P	35.4	Very low	32.5	Very low	98.5 Å²	98.5	120.6 Å²	120.6	64%	0.64	72%	0.723	S	S	*	*			cis	-142.7	-170.7	-14.9	36	-13.9	0	0	0	114.9
2846	T	28.2	Very low	32.5	Very low	118.5 Å²	118.5	121.1 Å²	121.1	73%	0.727	73%	0.725	S	S	*	*			trans	51.6	132	145.7	48.9	0	0	0	0	121.1
2847	S	29.9	Very low	33	Very low	103.5 Å²	103.5	120.7 Å²	120.7	72%	0.724	73%	0.725	S	S	*	*				114.5	135.8	112.1	-101.8	0	0	0	0	117.8
2848	T	29.4	Very low	32.9	Very low	103.5 Å²	103.5	121.2 Å²	121.2	64%	0.635	73%	0.729	S	S	*	*				136.3	162.4	50.7	-31.4	0	0	0	0	114.3
2849	H	35.1	Very low	33	Very low	167 Å²	167	120.7 Å²	120.7	77%	0.773	73%	0.73	S	S	*	*			trans	83.2	119.1	150.2	-71.5	-58.3	0	0	0	120.7
2850	H	34.2	Very low	33	Very low	157 Å²	157	117.8 Å²	117.8	73%	0.727	73%	0.728	S	S	*	*				93.3	102.8	128.9	-137.3	-88.1	0	0	0	120.1
2851	L	31.2	Very low	33.1	Very low	138.5 Å²	138.5	117.7 Å²	117.7	73%	0.725	73%	0.728	S	S	*	*				27.2	150.9	113.7	-92.1	77.6	0	0	0	120
2852	P	37.8	Very low	33.2	Very low	104.5 Å²	104.5	119.2 Å²	119.2	68%	0.679	73%	0.726	S	S	*	*				-140.2	-157.8	-59.9	37.7	-16.4	0	0	0	112.9
2853	S	31.2	Very low	33.3	Very low	111 Å²	111	120 Å²	120	78%	0.776	72%	0.723	S	S	*	*			trans	103.9	150.5	150.1	-53.6	0	0	0	0	117.8
2854	A	32.7	Very low	33.3	Very low	86 Å²	86	120.6 Å²	120.6	71%	0.711	72%	0.719	S	S	*	*				137.7	155.8	64.5	0	0	0	0	0	116.2
2855	S	36.1	Very low	33.4	Very low	106.5 Å²	106.5	119.9 Å²	119.9	75%	0.745	72%	0.715	S	S	*	*			trans	65.8	123	158.1	60.1	0	0	0	0	119.3
2856	N	31.9	Very low	33.1	Very low	154 Å²	154	120.1 Å²	120.1	82%	0.824	72%	0.719	S	S	*	*			cis	-69	161.7	39.7	-86.3	-2.7	0	0	0	115.1
2857	P	42.5	Very low	33.3	Very low	107.5 Å²	107.5	119.2 Å²	119.2	70%	0.698	72%	0.717	S	S	*	*				-131.2	-161.9	-102.9	42.8	-28.7	0	0	0	113.8
2858	S	30.1	Very low	33.3	Very low	110.5 Å²	110.5	121.7 Å²	121.7	77%	0.773	72%	0.72	S	S	*	*			trans	80.8	154.7	160.2	78.8	0	0	0	0	118.5
2859	S	33.2	Very low	33.6	Very low	105 Å²	105	121.7 Å²	121.7	73%	0.734	72%	0.719	S	S	*	*				135.4	161	103	70.3	0	0	0	0	115
2860	S	35.2	Very low	33.7	Very low	108 Å²	108	118.9 Å²	118.9	76%	0.755	72%	0.716	S	S	*	*				125.8	163	62.5	53.4	0	0	0	0	113.2
2861	S	34.1	Very low	33.5	Very low	94 Å²	94	118.4 Å²	118.4	66%	0.657	72%	0.718	S	S	*	*			cis	-169.1	159	1.6	58.5	0	0	0	0	111.4
2862	L	32.6	Very low	33.5	Very low	143.5 Å²	143.5	114.8 Å²	114.8	75%	0.751	71%	0.708	S	S	*	*			trans	29.1	152.5	145.3	-64.4	118.3	0	0	0	116.9
2863	D	34.4	Very low	33.1	Very low	108 Å²	108	112.7 Å²	112.7	58%	0.578	70%	0.7	S	S	*	*			cis	-162.6	162.2	7.7	-125.1	5.3	0	0	0	110.6
2864	K	32.8	Very low	33	Very low	151 Å²	151	117.2 Å²	117.2	66%	0.657	70%	0.701	S	S	*	*				113.7	159.8	54.5	-123.2	-169.7	-135.6	90.1	0	113.6
2865	I	33.4	Very low	32.8	Very low	141 Å²	141	118.6 Å²	118.6	72%	0.723	70%	0.701	S	S	*	*				139.4	147.5	84.3	-88.2	169.4	0	0	0	113
2866	S	30.1	Very low	32.6	Very low	103 Å²	103	119 Å²	119	72%	0.72	70%	0.701	S	S	*	*				116.6	163.9	-122.6	-74.1	0	0	0	0	114.9
2867	S	31.6	Very low	32.4	Very low	99.5 Å²	99.5	119.1 Å²	119.1	70%	0.696	70%	0.7	S	S	*	*				127.1	142	-96.5	54.3	0	0	0	0	114.4
2868	M	30.4	Very low	31.7	Very low	157.5 Å²	157.5	120.9 Å²	120.9	78%	0.776	70%	0.703	S	S	*	*				74.8	124.6	109.5	-55	-66.9	151.3	0	0	113.4
2869	T	35.9	Very low	31.5	Very low	102 Å²	102	122.5 Å²	122.5	63%	0.626	70%	0.703	S	S	*	*			cis	139	154.2	12	-12.5	0	0	0	0	111.1	L2871	T2869-L2871 HydrophobicContact CG2-CB 4.34Å; T2869-L2871 HydrophobicContact CG2-CD1 4.29Å
2870	P	35.6	Very low	31.2	Very low	109 Å²	109	122.6 Å²	122.6	71%	0.708	70%	0.704	S	S	*	*				-126.6	175.8	120	41.6	-30.4	0	0	0	117.8	K2754 S2755	K2754-P2870 VanDerWaalsContact C-C 3.43Å; K2754-P2870 CarbonylContact C-O 3.36Å; K2754-P2870 CarbonylContact O-C 3.59Å; K2754-P2870 WeakPolarHBondContact O-CA 3.44Å; K2754-P2870 VanDerWaalsContact O-O 3.14Å; S2755-P2870 VanDerWaalsContact N-C 3.32Å; S2755-P2870 PolarHBondContact N-O 2.96Å
2871	L	30.6	Very low	30.9	Very low	145.5 Å²	145.5	123.2 Å²	123.2	76%	0.762	71%	0.708	S	S	*	*				-163.1	150.7	-129.9	-161.8	66.2	0	0	0	112.8	K2754 S2755 D2756 T2869	K2754-L2871 VanDerWaalsContact O-CA 3.28Å; K2754-L2871 WeakPolarHBondContact O-CA 3.22Å; K2754-L2871 PolarHBondContact O-N 2.88Å; K2754-L2871 VanDerWaalsContact O-N 3.12Å; S2755-L2871 VanDerWaalsContact N-CA 3.33Å; D2756-L2871 PolarHBondContact N-O 3.25Å; T2869-L2871 HydrophobicContact CG2-CB 4.34Å; T2869-L2871 HydrophobicContact CG2-CD1 4.29Å
2872	A	31.6	Very low	30.6	Very low	64 Å²	64	126.6 Å²	126.6	53%	0.529	72%	0.719	S	S	.	*			trans	52.1	128.7	155.5	0	0	0	0	0	121.9	S2755 D2756	S2755-A2872 PolarHBondContact OG-N 2.78Å; D2756-A2872 CarbonylContact C-O 3.45Å; D2756-A2872 VanDerWaalsContact CA-O 3.27Å; D2756-A2872 WeakPolarHBondContact CA-O 3.41Å; D2756-A2872 WeakPolarHBondContact CB-O 3.48Å; D2756-A2872 PolarHBondContact N-O 3.49Å
2873	A	28.5	Very low	30.6	Very low	61 Å²	61	125.5 Å²	125.5	50%	0.504	72%	0.723	S	S	.	*			cis	114.4	141.1	48.8	0	0	0	0	0	113.7	D2756 Y2757	D2756-A2873 WeakPolarHBondContact OD2-CA 3.34Å; D2756-A2873 PolarHBondContact OD2-N 2.79Å; D2756-A2873 VanDerWaalsContact OD2-N 3.08Å; Y2757-A2873 WeakPolarHBondContact CD1-O 3.22Å; Y2757-A2873 WeakPolarHBondContact CE1-O 3.41Å; Y2757-A2873 VanDerWaalsContact CG-O 3.27Å
2874	Y	30.4	Very low	30.5	Very low	204.5 Å²	204.5	127.5 Å²	127.5	80%	0.802	73%	0.733	S	S	*	*				-170.2	157.9	90.7	-113.1	-85.6	0	0	0	113	Y2757	Y2757-Y2874 PolarHBondContact OH-O 2.89Å
2875	T	28.3	Very low	30.5	Very low	115.5 Å²	115.5	125.8 Å²	125.8	71%	0.709	74%	0.737	S	S	*	*			trans	-78.6	164.5	177.6	47.5	0	0	0	0	113.3
2876	P	32.5	Very low	30.4	Very low	115 Å²	115	123.5 Å²	123.5	75%	0.747	73%	0.729	S	S	*	*				-106.3	178.3	95.9	31.8	-21.1	0	0	0	114.4
2877	I	27.2	Very low	30.4	Very low	156 Å²	156	124.4 Å²	124.4	80%	0.8	73%	0.726	S	S	*	*			trans	165	133.6	162.2	-64.1	172.6	0	0	0	114.7
2878	L	26.8	Very low	30.6	Very low	146 Å²	146	124.4 Å²	124.4	76%	0.764	73%	0.727	S	S	*	*			trans	-1.9	134.3	169.9	-138.7	78.1	0	0	0	117.6
2879	N	27.3	Very low	30.8	Very low	144 Å²	144	122.1 Å²	122.1	77%	0.77	72%	0.722	S	S	*	*			trans	130.2	134.8	133.7	-89.6	-7.8	0	0	0	119.5
2880	S	26.3	Very low	30.9	Very low	107 Å²	107	123.5 Å²	123.5	75%	0.748	73%	0.725	S	S	*	*			trans	-1.4	117.6	150	-47.3	0	0	0	0	117
2881	S	29	Very low	31.3	Very low	120 Å²	120	122.8 Å²	122.8	84%	0.839	72%	0.719	S	S	*	*				-172.2	125.3	125.4	46.4	0	0	0	0	112.3
2882	N	27.8	Very low	31.8	Very low	166.5 Å²	166.5	122.8 Å²	122.8	89%	0.89	71%	0.709	S	S	*	*			trans	-104.4	146.6	177.1	-76.8	-19.2	0	0	0	111.1
2883	S	31.4	Very low	32.5	Very low	118.5 Å²	118.5	126 Å²	126	83%	0.829	72%	0.716	S	S	*	*			trans	-115.9	130.9	162	45.1	0	0	0	0	112.7	P2885	S2883-P2885 WeakPolarHBondContact O-CD 3.42Å
2884	L	32.3	Very low	33.3	Very low	152 Å²	152	130 Å²	130	80%	0.796	72%	0.724	S	S	*	*			trans	-87.3	142.4	176.1	-157.9	77.2	0	0	0	110.5
2885	P	34.3	Very low	33.9	Very low	115 Å²	115	123.5 Å²	123.5	75%	0.747	70%	0.701	S	S	*	*				-121.8	129.1	118.4	37.3	-24.3	0	0	0	113.9	S2883	S2883-P2885 WeakPolarHBondContact O-CD 3.42Å
2886	T	30.8	Very low	34.7	Very low	91 Å²	91	124.2 Å²	124.2	56%	0.558	70%	0.695	S	S	*	*			trans	-12.3	131.3	158.9	17.8	0	0	0	0	117.6
2887	D	30.2	Very low	35.2	Very low	122.5 Å²	122.5	121.5 Å²	121.5	66%	0.655	68%	0.682	S	S	*	*			trans	69.1	106.7	139.2	-51.5	-25.3	0	0	0	121.4	N2519	N2519-D2887 PolarHBondContact ND2-OD2 3.22Å
2888	S	35.8	Very low	36.2	Very low	100 Å²	100	116.6 Å²	116.6	70%	0.699	67%	0.665	S	S	*	*			trans	-155.4	82.3	139.9	39.8	0	0	0	0	112.7	T2891	S2888-T2891 PolarHBondContact O-OG1 2.97Å
2889	T	35.4	Very low	37.2	Very low	109.5 Å²	109.5	117.4 Å²	117.4	67%	0.672	66%	0.657	S	S	*	*	H	α-helix	trans	-111.5	-112.7	-171.3	47.8	0	0	0	0	113.8	I2893	T2889-I2893 PolarHBondContact O-N 3.05Å
2890	N	36.2	Very low	38.3	Very low	130 Å²	130	115.4 Å²	115.4	70%	0.695	64%	0.642	S	S	*	*	H	α-helix	trans	8.8	38.9	179	-64	-39.3	0	0	0	114.9	R2892 I2893 E2894	N2890-R2892 VanDerWaalsContact C-N 3.27Å; N2890-R2892 PolarHBondContact O-N 2.91Å; N2890-I2893 WeakPolarHBondContact O-CA 3.24Å; N2890-I2893 WeakPolarHBondContact O-CB 3.35Å; N2890-I2893 PolarHBondContact O-N 2.99Å; N2890-E2894 PolarHBondContact O-N 3.25Å
2891	T	44.6	Very low	39.6	Very low	95.5 Å²	95.5	113.1 Å²	113.1	59%	0.586	63%	0.63	S	S	*	*	H	α-helix	trans	-122.2	-33.7	170.7	32.1	0	0	0	0	112.5	S2888 I2893 E2894 E2895	S2888-T2891 PolarHBondContact O-OG1 2.97Å; T2891-I2893 VanDerWaalsContact C-N 3.35Å; T2891-E2894 PolarHBondContact O-N 3.04Å; T2891-E2895 VanDerWaalsContact O-CB 3.26Å; T2891-E2895 WeakPolarHBondContact O-CB 3.38Å; T2891-E2895 PolarHBondContact O-N 3.24Å
2892	R	42.3	Very low	40.7	Very low	145.5 Å²	145.5	114 Å²	114	55%	0.549	63%	0.625	S	S	.	*	H	α-helix	trans	-80.2	-19.9	-175	-68.2	-171.1	-177.9	-174.5	4.2	115.7	N2776 V2777 N2890 F2896	N2776-R2892 PolarHBondContact ND2-NH2 2.96Å; N2776-R2892 PolarHBondContact OD1-NH1 3.46Å; N2776-R2892 PolarHBondContact OD1-NH2 2.86Å; V2777-R2892 HydrophobicContact CG1-CG 4.21Å; N2890-R2892 VanDerWaalsContact C-N 3.27Å; N2890-R2892 PolarHBondContact O-N 2.91Å; R2892-F2896 WeakPolarHBondContact O-CB 3.17Å; R2892-F2896 PolarHBondContact O-N 2.94Å
2893	I	45.7	Very low	42.1	Very low	131 Å²	131	108.5 Å²	108.5	67%	0.672	60%	0.596	S	S	*	*	H	α-helix	trans	-76.2	-39.2	179.6	-69.9	171.6	0	0	0	110.5	T2889 N2890 T2891 F2896 A2897	T2889-I2893 PolarHBondContact O-N 3.05Å; N2890-I2893 WeakPolarHBondContact O-CA 3.24Å; N2890-I2893 WeakPolarHBondContact O-CB 3.35Å; N2890-I2893 PolarHBondContact O-N 2.99Å; T2891-I2893 VanDerWaalsContact C-N 3.35Å; I2893-F2896 PolarHBondContact O-N 3.17Å; I2893-A2897 VanDerWaalsContact O-CB 3.25Å; I2893-A2897 WeakPolarHBondContact O-CB 3.48Å; I2893-A2897 PolarHBondContact O-N 3.08Å
2894	E	45.3	Very low	43.5	Very low	146 Å²	146	107.4 Å²	107.4	68%	0.682	59%	0.586	S	S	*	*	H	α-helix	trans	-65.4	-41.3	173.9	-66.2	175.7	147.5	0	0	111.8	N2890 T2891 F2896 A2897 A2898	N2890-E2894 PolarHBondContact O-N 3.25Å; T2891-E2894 PolarHBondContact O-N 3.04Å; E2894-F2896 VanDerWaalsContact C-N 3.29Å; E2894-F2896 PolarHBondContact O-N 3.03Å; E2894-A2897 PolarHBondContact O-N 2.86Å; E2894-A2898 WeakPolarHBondContact O-CB 3.3Å; E2894-A2898 PolarHBondContact O-N 3.16Å
2895	E	43.1	Very low	44.8	Very low	68 Å²	68	106.1 Å²	106.1	32%	0.318	57%	0.574	S	S	.	*	H	α-helix	trans	-60.7	-37.3	175.5	-162.5	-162.1	158.1	0	0	112.2	V2779 T2891 R2899	V2779-E2895 HydrophobicContact CG2-CB 4.48Å; V2779-E2895 HydrophobicContact CG2-CG 3.71Å; V2779-E2895 WeakPolarHBondContact CG2-OE1 3.29Å; T2891-E2895 VanDerWaalsContact O-CB 3.26Å; T2891-E2895 WeakPolarHBondContact O-CB 3.38Å; T2891-E2895 PolarHBondContact O-N 3.24Å; E2895-R2899 VanDerWaalsContact CD-NH1 3.31Å; E2895-R2899 VanDerWaalsContact O-CG 3.29Å; E2895-R2899 WeakPolarHBondContact O-CG 3.34Å; E2895-R2899 PolarHBondContact O-N 2.9Å; E2895-R2899 VanDerWaalsContact O-N 3.11Å; E2895-R2899 IonicContact OE1-CZ 3.3Å; E2895-R2899 VanDerWaalsContact OE1-CZ 3.29Å; E2895-R2899 IonicContact OE1-NE 2.75Å; E2895-R2899 PolarHBondContact OE1-NE 3.09Å; E2895-R2899 IonicContact OE1-NH1 2.65Å; E2895-R2899 PolarHBondContact OE1-NH1 3.42Å; E2895-R2899 IonicContact OE1-NH2 3.13Å; E2895-R2899 PolarHBondContact OE1-NH2 2.85Å
2896	F	45.8	Very low	46.3	Very low	129.5 Å²	129.5	102.5 Å²	102.5	57%	0.568	55%	0.55	S	S	*	*	H	α-helix	trans	-73	-41.2	176.9	-163.6	-92.3	0	0	0	111.8	R2892 I2893 E2894 A2898 R2899 F2900	R2892-F2896 WeakPolarHBondContact O-CB 3.17Å; R2892-F2896 PolarHBondContact O-N 2.94Å; I2893-F2896 PolarHBondContact O-N 3.17Å; E2894-F2896 VanDerWaalsContact C-N 3.29Å; E2894-F2896 PolarHBondContact O-N 3.03Å; F2896-A2898 VanDerWaalsContact C-N 3.35Å; F2896-A2898 PolarHBondContact O-N 3.14Å; F2896-R2899 PolarHBondContact O-N 2.91Å; F2896-F2900 AromaticContact CD1-CD2 3.86Å; F2896-F2900 HydrophobicContact CD1-CD2 4.07Å; F2896-F2900 HydrophobicContact CD1-CE2 4.18Å; F2896-F2900 HydrophobicContact CD2-CE2 4.47Å; F2896-F2900 AromaticContact CE1-CD2 3.76Å; F2896-F2900 HydrophobicContact CE1-CD2 3.76Å; F2896-F2900 AromaticContact CE1-CE2 3.63Å; F2896-F2900 HydrophobicContact CE1-CE2 3.63Å; F2896-F2900 HydrophobicContact CE1-CZ 4.42Å; F2896-F2900 HydrophobicContact CE2-CD2 4.41Å; F2896-F2900 AromaticContact CE2-CE2 3.87Å; F2896-F2900 HydrophobicContact CE2-CE2 3.87Å; F2896-F2900 HydrophobicContact CG-CD2 4.38Å; F2896-F2900 AromaticContact CZ-CD2 3.91Å; F2896-F2900 HydrophobicContact CZ-CD2 3.91Å; F2896-F2900 AromaticContact CZ-CE2 3.35Å; F2896-F2900 HydrophobicContact CZ-CE2 3.78Å; F2896-F2900 HydrophobicContact CZ-CZ 4.17Å; F2896-F2900 WeakPolarHBondContact O-CD2 3.4Å; F2896-F2900 PolarHBondContact O-N 2.8Å
2897	A	41.7	Very low	47.7	Very low	59 Å²	59	101.6 Å²	101.6	49%	0.488	55%	0.545	S	S	.	.	H	α-helix	trans	-63.2	-42.4	174.6	0	0	0	0	0	111.9	I2893 E2894 R2899 F2900 A2901	I2893-A2897 VanDerWaalsContact O-CB 3.25Å; I2893-A2897 WeakPolarHBondContact O-CB 3.48Å; I2893-A2897 PolarHBondContact O-N 3.08Å; E2894-A2897 PolarHBondContact O-N 2.86Å; A2897-R2899 VanDerWaalsContact C-N 3.3Å; A2897-R2899 PolarHBondContact O-N 3.32Å; A2897-F2900 CarbonylContact O-C 3.59Å; A2897-F2900 PolarHBondContact O-N 2.84Å; A2897-F2900 VanDerWaalsContact O-N 3.09Å; A2897-A2901 WeakPolarHBondContact O-CB 3.47Å; A2897-A2901 PolarHBondContact O-N 3Å; A2897-A2901 VanDerWaalsContact O-N 3.08Å
2898	A	47.5	Very low	49.1	Very low	52.5 Å²	52.5	102.3 Å²	102.3	43%	0.434	54%	0.539	S	S	.	.	H	α-helix	trans	-62.6	-38.6	175.9	0	0	0	0	0	112.4	E2894 F2896 F2900 A2901 N2902	E2894-A2898 WeakPolarHBondContact O-CB 3.3Å; E2894-A2898 PolarHBondContact O-N 3.16Å; F2896-A2898 VanDerWaalsContact C-N 3.35Å; F2896-A2898 PolarHBondContact O-N 3.14Å; A2898-F2900 VanDerWaalsContact C-N 3.29Å; A2898-F2900 PolarHBondContact O-N 2.97Å; A2898-A2901 PolarHBondContact O-N 2.94Å; A2898-N2902 PolarHBondContact O-N 3.43Å; A2898-N2902 PolarHBondContact O-ND2 3.22Å
2899	R	49.1	Very low	50.2	Low	162 Å²	162	102.8 Å²	102.8	61%	0.611	53%	0.529	S	S	*	.	H	α-helix	trans	-65.6	-33.2	173.1	-74.6	179.2	-177.2	165.1	4.6	112.9	E2895 F2896 A2897	E2895-R2899 VanDerWaalsContact CD-NH1 3.31Å; E2895-R2899 VanDerWaalsContact O-CG 3.29Å; E2895-R2899 WeakPolarHBondContact O-CG 3.34Å; E2895-R2899 PolarHBondContact O-N 2.9Å; E2895-R2899 VanDerWaalsContact O-N 3.11Å; E2895-R2899 IonicContact OE1-CZ 3.3Å; E2895-R2899 VanDerWaalsContact OE1-CZ 3.29Å; E2895-R2899 IonicContact OE1-NE 2.75Å; E2895-R2899 PolarHBondContact OE1-NE 3.09Å; E2895-R2899 IonicContact OE1-NH1 2.65Å; E2895-R2899 PolarHBondContact OE1-NH1 3.42Å; E2895-R2899 IonicContact OE1-NH2 3.13Å; E2895-R2899 PolarHBondContact OE1-NH2 2.85Å; F2896-R2899 PolarHBondContact O-N 2.91Å; A2897-R2899 VanDerWaalsContact C-N 3.3Å; A2897-R2899 PolarHBondContact O-N 3.32Å
2900	F	49.1	Very low	51.5	Low	102.5 Å²	102.5	104.4 Å²	104.4	45%	0.45	52%	0.523	S	S	.	.	H	α-helix	trans	-78.2	-29.7	175.9	-98.5	-88.8	0	0	0	113.8	F2896 A2897 A2898 N2902 N2903 T2906	F2896-F2900 AromaticContact CD1-CD2 3.86Å; F2896-F2900 HydrophobicContact CD1-CD2 4.07Å; F2896-F2900 HydrophobicContact CD1-CE2 4.18Å; F2896-F2900 HydrophobicContact CD2-CE2 4.47Å; F2896-F2900 AromaticContact CE1-CD2 3.76Å; F2896-F2900 HydrophobicContact CE1-CD2 3.76Å; F2896-F2900 AromaticContact CE1-CE2 3.63Å; F2896-F2900 HydrophobicContact CE1-CE2 3.63Å; F2896-F2900 HydrophobicContact CE1-CZ 4.42Å; F2896-F2900 HydrophobicContact CE2-CD2 4.41Å; F2896-F2900 AromaticContact CE2-CE2 3.87Å; F2896-F2900 HydrophobicContact CE2-CE2 3.87Å; F2896-F2900 HydrophobicContact CG-CD2 4.38Å; F2896-F2900 AromaticContact CZ-CD2 3.91Å; F2896-F2900 HydrophobicContact CZ-CD2 3.91Å; F2896-F2900 AromaticContact CZ-CE2 3.35Å; F2896-F2900 HydrophobicContact CZ-CE2 3.78Å; F2896-F2900 HydrophobicContact CZ-CZ 4.17Å; F2896-F2900 WeakPolarHBondContact O-CD2 3.4Å; F2896-F2900 PolarHBondContact O-N 2.8Å; A2897-F2900 CarbonylContact O-C 3.59Å; A2897-F2900 PolarHBondContact O-N 2.84Å; A2897-F2900 VanDerWaalsContact O-N 3.09Å; A2898-F2900 VanDerWaalsContact C-N 3.29Å; A2898-F2900 PolarHBondContact O-N 2.97Å; F2900-N2902 VanDerWaalsContact C-N 3.33Å; F2900-N2903 HydrophobicContact CD1-CB 4.46Å; F2900-N2903 VanDerWaalsContact O-CB 3.25Å; F2900-N2903 WeakPolarHBondContact O-CB 3.4Å; F2900-N2903 PolarHBondContact O-N 3.04Å; F2900-T2906 WeakPolarHBondContact O-CB 3.47Å; F2900-T2906 PolarHBondContact O-OG1 3.22Å
2901	A	54.3	Low	52.6	Low	59.5 Å²	59.5	100.6 Å²	100.6	49%	0.492	51%	0.507	S	S	.	.	H	α-helix	trans	-64.6	-37.7	173.2	0	0	0	0	0	111.9	A2897 A2898 N2903	A2897-A2901 WeakPolarHBondContact O-CB 3.47Å; A2897-A2901 PolarHBondContact O-N 3Å; A2897-A2901 VanDerWaalsContact O-N 3.08Å; A2898-A2901 PolarHBondContact O-N 2.94Å; A2901-N2903 VanDerWaalsContact C-N 3.35Å; A2901-N2903 PolarHBondContact O-N 2.83Å
2902	N	52.7	Low	53.4	Low	138 Å²	138	99.2 Å²	99.2	74%	0.738	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	7.3	178.1	-69.4	-42.1	0	0	0	114.3	A2898 F2900	A2898-N2902 PolarHBondContact O-N 3.43Å; A2898-N2902 PolarHBondContact O-ND2 3.22Å; F2900-N2902 VanDerWaalsContact C-N 3.33Å
2903	N	57.2	Low	54.3	Low	51.5 Å²	51.5	96.9 Å²	96.9	28%	0.275	49%	0.494	S	S	.	.			trans	-79.5	127.8	176.6	-176	-31.5	0	0	0	110	F2900 A2901 F2905 T2906 T2907	F2900-N2903 HydrophobicContact CD1-CB 4.46Å; F2900-N2903 VanDerWaalsContact O-CB 3.25Å; F2900-N2903 WeakPolarHBondContact O-CB 3.4Å; F2900-N2903 PolarHBondContact O-N 3.04Å; A2901-N2903 VanDerWaalsContact C-N 3.35Å; A2901-N2903 PolarHBondContact O-N 2.83Å; N2903-F2905 PolarHBondContact O-N 3.02Å; N2903-F2905 VanDerWaalsContact O-N 3.11Å; N2903-F2905 WeakPolarHBondContact OD1-CB 3.28Å; N2903-F2905 PolarHBondContact OD1-N 3.05Å; N2903-T2906 WeakPolarHBondContact O-CA 3.29Å; N2903-T2906 VanDerWaalsContact O-CB 3.3Å; N2903-T2906 WeakPolarHBondContact O-CB 3.22Å; N2903-T2906 PolarHBondContact O-N 3.11Å; N2903-T2907 PolarHBondContact O-N 3Å; N2903-T2907 VanDerWaalsContact O-N 3.08Å; N2903-T2907 PolarHBondContact O-OG1 3.09Å
2904	P	60.7	Low	54.8	Low	95.5 Å²	95.5	95.2 Å²	95.2	62%	0.62	49%	0.49	S	S	*	.	H	α-helix	trans	-59.3	-28.9	-179.4	23.4	-34.3	0	0	0	113.4	T2906 T2907 Y2908	P2904-T2906 PolarHBondContact O-N 3.28Å; P2904-T2907 PolarHBondContact O-N 3.43Å; P2904-Y2908 WeakPolarHBondContact O-CB 3.32Å; P2904-Y2908 PolarHBondContact O-N 3.04Å
2905	F	60.1	Low	54.8	Low	123.5 Å²	123.5	95.6 Å²	95.6	54%	0.542	49%	0.491	S	S	.	.	H	α-helix	trans	-66.7	-39.3	172.9	-74.1	-85.4	0	0	0	112.2	N2903 T2907 Y2908 F2909	N2903-F2905 PolarHBondContact O-N 3.02Å; N2903-F2905 VanDerWaalsContact O-N 3.11Å; N2903-F2905 WeakPolarHBondContact OD1-CB 3.28Å; N2903-F2905 PolarHBondContact OD1-N 3.05Å; F2905-T2907 VanDerWaalsContact C-N 3.35Å; F2905-Y2908 PolarHBondContact O-N 3.09Å; F2905-F2909 WeakPolarHBondContact O-CB 3.34Å; F2905-F2909 VanDerWaalsContact O-CD2 3.3Å; F2905-F2909 WeakPolarHBondContact O-CD2 3.39Å; F2905-F2909 PolarHBondContact O-N 3.39Å
2906	T	64.9	Low	54.9	Low	40.5 Å²	40.5	101 Å²	101	25%	0.248	51%	0.514	C	S	.	.	H	α-helix	trans	-62.4	-45.7	174.4	-53.8	0	0	0	0	110.4	F2900 N2903 P2904 Y2908 F2909 Y2910	F2900-T2906 WeakPolarHBondContact O-CB 3.47Å; F2900-T2906 PolarHBondContact O-OG1 3.22Å; N2903-T2906 WeakPolarHBondContact O-CA 3.29Å; N2903-T2906 VanDerWaalsContact O-CB 3.3Å; N2903-T2906 WeakPolarHBondContact O-CB 3.22Å; N2903-T2906 PolarHBondContact O-N 3.11Å; P2904-T2906 PolarHBondContact O-N 3.28Å; T2906-Y2908 VanDerWaalsContact C-N 3.33Å; T2906-Y2908 PolarHBondContact O-N 3.25Å; T2906-F2909 PolarHBondContact O-N 3.12Å; T2906-Y2910 HydrophobicContact CG2-CD2 4.05Å; T2906-Y2910 HydrophobicContact CG2-CE2 4.22Å; T2906-Y2910 WeakPolarHBondContact O-CD2 3.36Å; T2906-Y2910 PolarHBondContact O-N 3.23Å
2907	T	61.1	Low	54.6	Low	72 Å²	72	103 Å²	103	44%	0.442	53%	0.525	S	S	.	.	H	α-helix	trans	-63.1	-39.8	177.4	-48.6	0	0	0	0	111.8	N2903 P2904 F2905 Y2910 S2911	N2903-T2907 PolarHBondContact O-N 3Å; N2903-T2907 VanDerWaalsContact O-N 3.08Å; N2903-T2907 PolarHBondContact O-OG1 3.09Å; P2904-T2907 PolarHBondContact O-N 3.43Å; F2905-T2907 VanDerWaalsContact C-N 3.35Å; T2907-Y2910 PolarHBondContact O-N 2.95Å; T2907-S2911 WeakPolarHBondContact O-CB 3.34Å; T2907-S2911 PolarHBondContact O-N 3.18Å; T2907-S2911 PolarHBondContact O-OG 3.18Å
2908	Y	59.4	Low	54.2	Low	136 Å²	136	108 Å²	108	53%	0.533	54%	0.542	S	S	.	.	H	α-helix	trans	-65.7	-44.4	175.2	178.8	-108.4	0	0	0	112.4	P2904 F2905 T2906 Y2910 S2911 L2912	P2904-Y2908 WeakPolarHBondContact O-CB 3.32Å; P2904-Y2908 PolarHBondContact O-N 3.04Å; F2905-Y2908 PolarHBondContact O-N 3.09Å; T2906-Y2908 VanDerWaalsContact C-N 3.33Å; T2906-Y2908 PolarHBondContact O-N 3.25Å; Y2908-Y2910 PolarHBondContact O-N 3.19Å; Y2908-S2911 WeakPolarHBondContact O-CB 3.33Å; Y2908-S2911 PolarHBondContact O-N 2.89Å; Y2908-S2911 VanDerWaalsContact O-N 3.14Å; Y2908-L2912 HydrophobicContact CD1-CD1 4.04Å; Y2908-L2912 HydrophobicContact CE1-CD1 3.51Å; Y2908-L2912 VanDerWaalsContact CE1-CD1 3.47Å; Y2908-L2912 HydrophobicContact CE1-CG 4.27Å; Y2908-L2912 HydrophobicContact CE2-CD1 4.46Å; Y2908-L2912 HydrophobicContact CE2-CG 4.41Å; Y2908-L2912 WeakPolarHBondContact O-CG 3.5Å; Y2908-L2912 PolarHBondContact O-N 2.81Å
2909	F	58	Low	53.4	Low	112 Å²	112	110.8 Å²	110.8	49%	0.491	56%	0.559	S	S	.	*	H	α-helix	trans	-63.6	-41.1	174.8	-92.4	-79.2	0	0	0	112.4	F2905 T2906 S2911 L2912 L2913	F2905-F2909 WeakPolarHBondContact O-CB 3.34Å; F2905-F2909 VanDerWaalsContact O-CD2 3.3Å; F2905-F2909 WeakPolarHBondContact O-CD2 3.39Å; F2905-F2909 PolarHBondContact O-N 3.39Å; T2906-F2909 PolarHBondContact O-N 3.12Å; F2909-S2911 VanDerWaalsContact C-N 3.31Å; F2909-S2911 PolarHBondContact O-N 3.18Å; F2909-L2912 HydrophobicContact CD1-CD1 4.47Å; F2909-L2912 PolarHBondContact O-N 3.23Å; F2909-L2913 WeakPolarHBondContact O-CB 3.44Å; F2909-L2913 WeakPolarHBondContact O-CD1 3.35Å; F2909-L2913 VanDerWaalsContact O-CG 3.25Å; F2909-L2913 WeakPolarHBondContact O-CG 3.35Å; F2909-L2913 PolarHBondContact O-N 3.08Å
2910	Y	62.3	Low	52.7	Low	142 Å²	142	108.6 Å²	108.6	56%	0.557	57%	0.566	S	S	*	*	H	α-helix	trans	-62.9	-36.5	171.5	-94.7	-79.7	0	0	0	112.6	V2814 T2906 T2907 Y2908 L2913 T2914	V2814-Y2910 WeakPolarHBondContact CG1-OH 3.18Å; T2906-Y2910 HydrophobicContact CG2-CD2 4.05Å; T2906-Y2910 HydrophobicContact CG2-CE2 4.22Å; T2906-Y2910 WeakPolarHBondContact O-CD2 3.36Å; T2906-Y2910 PolarHBondContact O-N 3.23Å; T2907-Y2910 PolarHBondContact O-N 2.95Å; Y2908-Y2910 PolarHBondContact O-N 3.19Å; Y2910-L2913 PolarHBondContact O-N 3.16Å; Y2910-T2914 WeakPolarHBondContact O-CB 3.26Å; Y2910-T2914 WeakPolarHBondContact O-CG2 3.29Å; Y2910-T2914 PolarHBondContact O-N 3.04Å; Y2910-T2914 PolarHBondContact O-OG1 3.15Å
2911	S	59.5	Low	51.7	Low	50.5 Å²	50.5	108.8 Å²	108.8	35%	0.353	58%	0.58	S	S	.	*	H	α-helix	trans	-63.9	-45	174.8	-57.8	0	0	0	0	111.2	T2907 Y2908 F2909 L2913 T2914 Q2915	T2907-S2911 WeakPolarHBondContact O-CB 3.34Å; T2907-S2911 PolarHBondContact O-N 3.18Å; T2907-S2911 PolarHBondContact O-OG 3.18Å; Y2908-S2911 WeakPolarHBondContact O-CB 3.33Å; Y2908-S2911 PolarHBondContact O-N 2.89Å; Y2908-S2911 VanDerWaalsContact O-N 3.14Å; F2909-S2911 VanDerWaalsContact C-N 3.31Å; F2909-S2911 PolarHBondContact O-N 3.18Å; S2911-L2913 PolarHBondContact O-N 2.79Å; S2911-T2914 WeakPolarHBondContact CA-OG1 3.31Å; S2911-T2914 PolarHBondContact O-N 3.09Å; S2911-T2914 PolarHBondContact O-OG1 3.02Å; S2911-T2914 VanDerWaalsContact O-OG1 3.06Å; S2911-Q2915 VanDerWaalsContact O-CB 3.3Å; S2911-Q2915 WeakPolarHBondContact O-CB 3.37Å; S2911-Q2915 PolarHBondContact O-N 3.21Å
2912	L	62.5	Low	50.7	Low	67 Å²	67	114.1 Å²	114.1	35%	0.351	60%	0.599	S	S	.	*	H	α-helix	trans	-64.6	-37.2	175.1	-70.6	176.5	0	0	0	113	Y2908 F2909 Q2915 K2916	Y2908-L2912 HydrophobicContact CD1-CD1 4.04Å; Y2908-L2912 HydrophobicContact CE1-CD1 3.51Å; Y2908-L2912 VanDerWaalsContact CE1-CD1 3.47Å; Y2908-L2912 HydrophobicContact CE1-CG 4.27Å; Y2908-L2912 HydrophobicContact CE2-CD1 4.46Å; Y2908-L2912 HydrophobicContact CE2-CG 4.41Å; Y2908-L2912 WeakPolarHBondContact O-CG 3.5Å; Y2908-L2912 PolarHBondContact O-N 2.81Å; F2909-L2912 HydrophobicContact CD1-CD1 4.47Å; F2909-L2912 PolarHBondContact O-N 3.23Å; L2912-Q2915 PolarHBondContact O-N 2.73Å; L2912-K2916 VanDerWaalsContact O-CB 3.29Å; L2912-K2916 WeakPolarHBondContact O-CB 3.48Å; L2912-K2916 PolarHBondContact O-N 3.36Å
2913	L	60.5	Low	49.7	Very low	97 Å²	97	112.6 Å²	112.6	51%	0.508	60%	0.599	S	S	.	*	H	α-helix	trans	-70.1	-40.8	178	-73.3	164.2	0	0	0	112.1	L2811 F2909 Y2910 S2911 K2916 Q2917	L2811-L2913 HydrophobicContact CD1-CD1 3.86Å; L2811-L2913 HydrophobicContact CD2-CD1 4.07Å; L2811-L2913 HydrophobicContact CG-CD1 4.41Å; F2909-L2913 WeakPolarHBondContact O-CB 3.44Å; F2909-L2913 WeakPolarHBondContact O-CD1 3.35Å; F2909-L2913 VanDerWaalsContact O-CG 3.25Å; F2909-L2913 WeakPolarHBondContact O-CG 3.35Å; F2909-L2913 PolarHBondContact O-N 3.08Å; Y2910-L2913 PolarHBondContact O-N 3.16Å; S2911-L2913 PolarHBondContact O-N 2.79Å; L2913-K2916 PolarHBondContact O-N 3.28Å; L2913-K2916 VanDerWaalsContact O-N 3.16Å; L2913-Q2917 PolarHBondContact O-N 3.2Å; L2913-Q2917 VanDerWaalsContact O-N 3.16Å
2914	T	55.2	Low	48.5	Very low	95 Å²	95	116 Å²	116	58%	0.583	62%	0.624	S	S	*	*	H	α-helix	trans	-71	-35.2	175.2	49.2	0	0	0	0	112.4	Y2910 S2911 K2916 Q2917	Y2910-T2914 WeakPolarHBondContact O-CB 3.26Å; Y2910-T2914 WeakPolarHBondContact O-CG2 3.29Å; Y2910-T2914 PolarHBondContact O-N 3.04Å; Y2910-T2914 PolarHBondContact O-OG1 3.15Å; S2911-T2914 WeakPolarHBondContact CA-OG1 3.31Å; S2911-T2914 PolarHBondContact O-N 3.09Å; S2911-T2914 PolarHBondContact O-OG1 3.02Å; S2911-T2914 VanDerWaalsContact O-OG1 3.06Å; T2914-K2916 PolarHBondContact O-N 3.08Å; T2914-Q2917 PolarHBondContact O-N 3.46Å
2915	Q	45.9	Very low	47	Very low	154 Å²	154	116.5 Å²	116.5	72%	0.72	63%	0.63	S	S	*	*	H	α-helix	trans	-68.2	-15.9	174.2	-165	174.5	38.5	0	0	113	S2911 L2912	S2911-Q2915 VanDerWaalsContact O-CB 3.3Å; S2911-Q2915 WeakPolarHBondContact O-CB 3.37Å; S2911-Q2915 PolarHBondContact O-N 3.21Å; L2912-Q2915 PolarHBondContact O-N 2.73Å
2916	K	45.3	Very low	45.5	Very low	182.5 Å²	182.5	118.2 Å²	118.2	79%	0.793	64%	0.643	S	S	*	*	H	α-helix	trans	-103	8.6	-178.6	-156	170.3	-177.3	176.4	0	115	L2912 L2913 T2914	L2912-K2916 VanDerWaalsContact O-CB 3.29Å; L2912-K2916 WeakPolarHBondContact O-CB 3.48Å; L2912-K2916 PolarHBondContact O-N 3.36Å; L2913-K2916 PolarHBondContact O-N 3.28Å; L2913-K2916 VanDerWaalsContact O-N 3.16Å; T2914-K2916 PolarHBondContact O-N 3.08Å
2917	Q	39.6	Very low	43.9	Very low	171 Å²	171	121.5 Å²	121.5	80%	0.799	67%	0.668	S	S	*	*	H	α-helix	trans	-105.6	38.6	166.5	-86.1	-157.7	-32.9	0	0	112.7	L2913 T2914 S2919	L2913-Q2917 PolarHBondContact O-N 3.2Å; L2913-Q2917 VanDerWaalsContact O-N 3.16Å; T2914-Q2917 PolarHBondContact O-N 3.46Å; Q2917-S2919 VanDerWaalsContact C-N 3.27Å; Q2917-S2919 PolarHBondContact O-N 3.4Å
2918	L	34.3	Very low	42.6	Very low	162.5 Å²	162.5	123.6 Å²	123.6	85%	0.851	69%	0.686	S	S	*	*	S	Bend	trans	-125.9	77.5	166.8	-89.9	167.4	0	0	0	111.4
2919	S	30	Very low	41.3	Very low	113 Å²	113	120.6 Å²	120.6	79%	0.79	70%	0.697	S	S	*	*			trans	-155.4	126.9	175.1	-73.3	0	0	0	0	111.7	Q2917	Q2917-S2919 VanDerWaalsContact C-N 3.27Å; Q2917-S2919 PolarHBondContact O-N 3.4Å
2920	P	34.5	Very low	40.2	Very low	114.5 Å²	114.5	123.2 Å²	123.2	74%	0.744	72%	0.715	S	S	*	*				-121.6	155.3	-112.6	36.6	-22.3	0	0	0	112
2921	S	28.7	Very low	38.8	Very low	107.5 Å²	107.5	121.4 Å²	121.4	75%	0.752	72%	0.724	S	S	*	*			trans	60.6	133.1	165.9	71.1	0	0	0	0	117.8
2922	L	31.8	Very low	37.5	Very low	171 Å²	171	126.6 Å²	126.6	90%	0.895	75%	0.746	S	S	*	*				-136.7	134.3	79.5	-91.3	159.5	0	0	0	111.2
2923	S	31.5	Very low	36	Very low	105.5 Å²	105.5	128.1 Å²	128.1	74%	0.738	76%	0.761	S	S	*	*			trans	-85.2	149.1	174.3	-46.5	0	0	0	0	111.1
2924	P	32.3	Very low	34.7	Very low	122.5 Å²	122.5	131.5 Å²	131.5	80%	0.795	77%	0.774	S	S	*	*				-112.3	161.2	125.2	35.8	-27.4	0	0	0	113.9
2925	S	29.8	Very low	33.5	Very low	108 Å²	108	136 Å²	136	76%	0.755	78%	0.78	S	S	*	*			trans	-93.8	160.1	158.6	52.7	0	0	0	0	111.1
2926	I	29.4	Very low	33.1	Very low	157.5 Å²	157.5	132.7 Å²	132.7	81%	0.808	77%	0.773	S	S	*	*				-142.9	144.3	117.1	-33.5	172.8	0	0	0	110.3
2927	S	31	Very low	32.6	Very low	109.5 Å²	109.5	128.3 Å²	128.3	77%	0.766	76%	0.761	S	S	*	*			trans	141.9	126.3	159.3	75.3	0	0	0	0	113.7
2928	S	32.5	Very low	32.3	Very low	117 Å²	117	125.5 Å²	125.5	82%	0.818	75%	0.752	S	S	*	*				128.8	128.7	55.9	-75.2	0	0	0	0	114.2
2929	G	33.5	Very low	32.3	Very low	74 Å²	74	124.5 Å²	124.5	76%	0.763	75%	0.747	S	S	*	*			trans	128.6	107.4	165.6	0	0	0	0	0	114.7
2930	D	33.4	Very low	32.4	Very low	165 Å²	165	127.2 Å²	127.2	88%	0.882	75%	0.75	S	S	*	*			trans	-106.8	139.4	155.5	-82.6	-44.3	0	0	0	114.9
2931	S	34.4	Very low	32.2	Very low	104.5 Å²	104.5	126.9 Å²	126.9	73%	0.731	75%	0.75	S	S	*	*			trans	-127.4	129	146.3	-69.5	0	0	0	0	112.7
2932	I	31.8	Very low	32.3	Very low	159.5 Å²	159.5	129.5 Å²	129.5	82%	0.818	75%	0.754	S	S	*	*				44.1	117.9	100.7	-61.9	172.4	0	0	0	114.3
2933	C	30.8	Very low	32.3	Very low	99.5 Å²	99.5	126.8 Å²	126.8	67%	0.672	75%	0.747	S	S	*	*			cis	-153.4	-178.6	5	-136.5	0	0	0	0	112.4
2934	Q	32.7	Very low	32.2	Very low	169 Å²	169	129.4 Å²	129.4	79%	0.79	75%	0.751	S	S	*	*				130.7	127.2	77.2	-107.2	167.1	64.7	0	0	114.5
2935	R	30.9	Very low	31.9	Very low	187.5 Å²	187.5	128.8 Å²	128.8	71%	0.708	75%	0.749	S	S	*	*				20.9	160.4	76.9	-99.7	-169.5	-171.8	179.9	4.9	115.3
2936	P	36.8	Very low	31.8	Very low	86 Å²	86	128.9 Å²	128.9	56%	0.558	75%	0.749	S	S	*	*			cis	-127.5	-155.7	-15.7	35.1	-13	0	0	0	110.8
2937	T	34	Very low	32.1	Very low	89.5 Å²	89.5	126.7 Å²	126.7	55%	0.549	75%	0.748	S	S	.	*			cis	-161.6	156.3	6.6	-14	0	0	0	0	110.7
2938	D	34.8	Very low	32	Very low	112.5 Å²	112.5	126.7 Å²	126.7	60%	0.602	74%	0.743	S	S	*	*			trans	73.4	149.7	152.8	-57.3	-11.6	0	0	0	122.9
2939	N	34.6	Very low	32.2	Very low	141.5 Å²	141.5	130.2 Å²	130.2	76%	0.757	74%	0.744	S	S	*	*				138.8	129	68.7	-84.3	-31.3	0	0	0	117.4
2940	M	30.6	Very low	32	Very low	170.5 Å²	170.5	132.4 Å²	132.4	84%	0.84	74%	0.738	S	S	*	*			trans	47.5	117.6	139.3	-67.8	-85.6	-81.6	0	0	120.5
2941	S	31.2	Very low	31.9	Very low	107.5 Å²	107.5	133.3 Å²	133.3	75%	0.752	73%	0.734	S	S	*	*				109.8	135.3	122.9	55	0	0	0	0	120
2942	L	30.3	Very low	31.7	Very low	161.5 Å²	161.5	134.4 Å²	134.4	85%	0.846	73%	0.731	S	S	*	*			trans	-4.7	151.2	158.7	-62.6	169.1	0	0	0	118.9
2943	P	32	Very low	31.7	Very low	115 Å²	115	134.1 Å²	134.1	75%	0.747	73%	0.731	S	S	*	*			trans	-111.4	164	132.6	37.6	-30.1	0	0	0	113.5
2944	I	30.1	Very low	31.8	Very low	159.5 Å²	159.5	134.7 Å²	134.7	82%	0.818	74%	0.736	S	S	*	*				150.9	130.9	103	-60.2	-178.3	0	0	0	111.9
2945	C	25	Very low	31.8	Very low	110 Å²	110	133.4 Å²	133.4	74%	0.743	73%	0.733	S	S	*	*			trans	-18.8	135.6	179.4	-121.7	0	0	0	0	117.8
2946	S	28.3	Very low	32	Very low	110 Å²	110	130.4 Å²	130.4	77%	0.769	74%	0.738	S	S	*	*			trans	57.1	122.9	136.2	-54.8	0	0	0	0	120.1
2947	S	34.9	Very low	31.6	Very low	112.5 Å²	112.5	133.6 Å²	133.6	79%	0.787	75%	0.75	S	S	*	*				-169.7	137.2	107.8	111.1	0	0	0	0	113.5
2948	T	30.2	Very low	31.6	Very low	108 Å²	108	133.9 Å²	133.9	66%	0.663	76%	0.762	S	S	*	*			trans	-10.1	145	157.2	59	0	0	0	0	118.6
2949	K	35.7	Very low	31.6	Very low	191 Å²	191	134 Å²	134	83%	0.83	77%	0.772	S	S	*	*			trans	136	123.6	135.2	-93.1	164.5	-175.1	171.6	0	116.8
2950	L	29.1	Very low	31.8	Very low	121 Å²	121	134.1 Å²	134.1	63%	0.634	78%	0.777	S	S	*	*			trans	155.6	138.4	151.2	-61	170.4	0	0	0	115.9	E2790	E2790-L2950 HydrophobicContact CB-CD1 3.71Å; E2790-L2950 HydrophobicContact CB-CD2 3.78Å; E2790-L2950 HydrophobicContact CB-CG 4.38Å; E2790-L2950 HydrophobicContact CG-CD2 4.33Å
2951	K	31.8	Very low	32.1	Very low	183 Å²	183	130.3 Å²	130.3	80%	0.796	77%	0.767	S	S	*	*			trans	131.1	134.4	132.1	-93.2	178.6	177	179.1	0	117.6
2952	N	30.8	Very low	32.5	Very low	127 Å²	127	127.5 Å²	127.5	68%	0.679	76%	0.756	S	S	*	*			trans	82.3	113.6	144.1	-65.2	-0.1	0	0	0	121.3
2953	L	31.3	Very low	33.3	Very low	155 Å²	155	126.3 Å²	126.3	81%	0.812	75%	0.75	S	S	*	*				63.3	110.5	128.3	-57	168.8	0	0	0	118.3
2954	S	33	Very low	34	Very low	111.5 Å²	111.5	125.9 Å²	125.9	78%	0.78	75%	0.745	S	S	*	*				-172.5	153.5	69.5	-120.5	0	0	0	0	113.1
2955	I	31.6	Very low	35.1	Very low	141.5 Å²	141.5	121.6 Å²	121.6	73%	0.726	73%	0.734	S	S	*	*			trans	-90.8	147.8	165.9	-46.2	172.3	0	0	0	108.6
2956	P	35.2	Very low	36.5	Very low	125 Å²	125	122.5 Å²	122.5	81%	0.812	73%	0.731	S	S	*	*				-132.9	153.4	118.1	18.5	-1.3	0	0	0	113.9
2957	N	29.8	Very low	37.7	Very low	153 Å²	153	126.5 Å²	126.5	82%	0.818	73%	0.731	S	S	*	*			trans	-76.9	148	179.4	-65.2	-23.1	0	0	0	113.5
2958	A	33.7	Very low	38.7	Very low	95.5 Å²	95.5	126.8 Å²	126.8	79%	0.789	72%	0.723	S	S	*	*			trans	-162.7	117	144.4	0	0	0	0	0	110.2
2959	S	34.3	Very low	40.2	Very low	115.5 Å²	115.5	123.7 Å²	123.7	81%	0.808	71%	0.708	S	S	*	*				-70.9	145.7	69.2	52	0	0	0	0	115.6
2960	V	37.9	Very low	41.5	Very low	142 Å²	142	117.2 Å²	117.2	86%	0.861	69%	0.69	S	S	*	*			trans	-133.3	149.7	160.1	156.5	0	0	0	0	110.6
2961	S	38.8	Very low	43	Very low	90.5 Å²	90.5	114.2 Å²	114.2	63%	0.633	68%	0.683	S	S	*	*			trans	-81.7	133.6	161.6	-117.7	0	0	0	0	113.7
2962	G	39.3	Very low	44.6	Very low	50.5 Å²	50.5	108.8 Å²	108.8	52%	0.521	67%	0.665	S	S	.	*	S	Bend	cis	147.4	26	11.8	0	0	0	0	0	109.5	T2964	G2962-T2964 PolarHBondContact O-N 3.14Å
2963	D	47	Very low	46.1	Very low	135.5 Å²	135.5	108.9 Å²	108.9	73%	0.725	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.1	7.8	178.6	-82.5	-34	0	0	0	114	A2965	D2963-A2965 PolarHBondContact O-N 3.02Å
2964	T	46.6	Very low	47.3	Very low	106.5 Å²	106.5	104.6 Å²	104.6	65%	0.653	65%	0.65	S	S	*	*	H	α-helix	trans	-79.8	-8.6	-169.2	-20.5	0	0	0	0	114.2	G2962 L2968	G2962-T2964 PolarHBondContact O-N 3.14Å; T2964-L2968 WeakPolarHBondContact O-CB 3.49Å; T2964-L2968 PolarHBondContact O-N 3.13Å
2965	A	51.7	Low	48.5	Very low	70 Å²	70	102 Å²	102	58%	0.579	64%	0.635	S	S	*	*	H	α-helix	trans	-70	-48.3	-175.1	0	0	0	0	0	112.4	D2963 Y2967 L2968 A2969	D2963-A2965 PolarHBondContact O-N 3.02Å; A2965-Y2967 PolarHBondContact O-N 2.88Å; A2965-L2968 PolarHBondContact O-N 3.46Å; A2965-L2968 VanDerWaalsContact O-N 3.14Å; A2965-A2969 VanDerWaalsContact O-CB 3.28Å; A2965-A2969 WeakPolarHBondContact O-CB 3.41Å; A2965-A2969 PolarHBondContact O-N 3.14Å
2966	D	55.5	Low	49.9	Very low	128 Å²	128	101.2 Å²	101.2	68%	0.684	63%	0.63	S	S	*	*	H	α-helix	trans	-71	-34.9	-174.4	-68.8	-22	0	0	0	112.2	L2968 A2969 A2970	D2966-L2968 VanDerWaalsContact C-N 3.33Å; D2966-L2968 PolarHBondContact O-N 3.3Å; D2966-A2969 PolarHBondContact O-N 3.26Å; D2966-A2970 VanDerWaalsContact O-CB 3.27Å; D2966-A2970 WeakPolarHBondContact O-CB 3.43Å; D2966-A2970 PolarHBondContact O-N 2.99Å
2967	Y	53.2	Low	50.7	Low	193.5 Å²	193.5	98.6 Å²	98.6	76%	0.759	62%	0.618	S	S	*	*	H	α-helix	trans	-63.3	-39.1	171.8	-89.1	-82.6	0	0	0	112.7	A2965 A2971	A2965-Y2967 PolarHBondContact O-N 2.88Å; Y2967-A2971 VanDerWaalsContact O-CB 3.25Å; Y2967-A2971 WeakPolarHBondContact O-CB 3.26Å; Y2967-A2971 PolarHBondContact O-N 3.32Å
2968	L	56.4	Low	51.7	Low	120 Å²	120	95.3 Å²	95.3	63%	0.628	61%	0.613	S	S	*	*	H	α-helix	trans	-75.5	-33.7	178.9	-155.6	108.4	0	0	0	111.6	T2964 A2965 D2966 T2972	T2964-L2968 WeakPolarHBondContact O-CB 3.49Å; T2964-L2968 PolarHBondContact O-N 3.13Å; A2965-L2968 PolarHBondContact O-N 3.46Å; A2965-L2968 VanDerWaalsContact O-N 3.14Å; D2966-L2968 VanDerWaalsContact C-N 3.33Å; D2966-L2968 PolarHBondContact O-N 3.3Å; L2968-T2972 VanDerWaalsContact O-CB 3.29Å; L2968-T2972 WeakPolarHBondContact O-CB 3.27Å; L2968-T2972 PolarHBondContact O-N 2.85Å; L2968-T2972 PolarHBondContact O-OG1 3.23Å
2969	A	61.4	Low	52.4	Low	42 Å²	42	98.5 Å²	98.5	35%	0.347	61%	0.613	S	S	.	*	H	α-helix	trans	-66.2	-44.8	171.2	0	0	0	0	0	111.9	A2965 D2966 T2972 M2973	A2965-A2969 VanDerWaalsContact O-CB 3.28Å; A2965-A2969 WeakPolarHBondContact O-CB 3.41Å; A2965-A2969 PolarHBondContact O-N 3.14Å; D2966-A2969 PolarHBondContact O-N 3.26Å; A2969-T2972 PolarHBondContact O-N 3.05Å; A2969-M2973 HydrophobicContact CB-CE 4.21Å; A2969-M2973 WeakPolarHBondContact O-CB 3.32Å; A2969-M2973 WeakPolarHBondContact O-CE 3.44Å; A2969-M2973 WeakPolarHBondContact O-CG 3.25Å; A2969-M2973 PolarHBondContact O-N 3.11Å
2970	A	62.9	Low	52.9	Low	54.5 Å²	54.5	98.4 Å²	98.4	45%	0.45	61%	0.608	S	S	.	*	H	α-helix	trans	-64	-44.8	175.7	0	0	0	0	0	111.9	D2966 T2972 M2973 A2974	D2966-A2970 VanDerWaalsContact O-CB 3.27Å; D2966-A2970 WeakPolarHBondContact O-CB 3.43Å; D2966-A2970 PolarHBondContact O-N 2.99Å; A2970-T2972 VanDerWaalsContact C-N 3.33Å; A2970-T2972 PolarHBondContact O-N 3.17Å; A2970-M2973 PolarHBondContact O-N 2.99Å; A2970-A2974 VanDerWaalsContact O-CB 3.29Å; A2970-A2974 WeakPolarHBondContact O-CB 3.45Å; A2970-A2974 PolarHBondContact O-N 3.08Å
2971	A	61.2	Low	52.9	Low	58.5 Å²	58.5	94.5 Å²	94.5	48%	0.483	60%	0.597	S	S	.	*	H	α-helix	trans	-62.3	-39	174.5	0	0	0	0	0	112.1	Y2967 A2974 A2975	Y2967-A2971 VanDerWaalsContact O-CB 3.25Å; Y2967-A2971 WeakPolarHBondContact O-CB 3.26Å; Y2967-A2971 PolarHBondContact O-N 3.32Å; A2971-A2974 PolarHBondContact O-N 3.01Å; A2971-A2975 VanDerWaalsContact O-CB 3.23Å; A2971-A2975 WeakPolarHBondContact O-CB 3.38Å; A2971-A2975 PolarHBondContact O-N 3.36Å
2972	T	65.6	Low	53	Low	70 Å²	70	96.6 Å²	96.6	43%	0.429	61%	0.608	S	S	.	*	H	α-helix	trans	-67.5	-43.1	175.8	-57.2	0	0	0	0	111.5	L2968 A2969 A2970 A2975 M2976	L2968-T2972 VanDerWaalsContact O-CB 3.29Å; L2968-T2972 WeakPolarHBondContact O-CB 3.27Å; L2968-T2972 PolarHBondContact O-N 2.85Å; L2968-T2972 PolarHBondContact O-OG1 3.23Å; A2969-T2972 PolarHBondContact O-N 3.05Å; A2970-T2972 VanDerWaalsContact C-N 3.33Å; A2970-T2972 PolarHBondContact O-N 3.17Å; T2972-A2975 PolarHBondContact O-N 2.85Å; T2972-M2976 HydrophobicContact CG2-CE 4.43Å; T2972-M2976 HydrophobicContact CG2-CG 4.35Å; T2972-M2976 WeakPolarHBondContact O-CB 3.34Å; T2972-M2976 WeakPolarHBondContact O-CG 3.41Å; T2972-M2976 PolarHBondContact O-N 3.1Å
2973	M	62	Low	52.7	Low	129 Å²	129	100.5 Å²	100.5	64%	0.635	62%	0.622	S	S	*	*	H	α-helix	trans	-66.3	-38.3	176.2	-76.5	-175.2	-83.7	0	0	112.3	A2969 A2970 M2976 A2977	A2969-M2973 HydrophobicContact CB-CE 4.21Å; A2969-M2973 WeakPolarHBondContact O-CB 3.32Å; A2969-M2973 WeakPolarHBondContact O-CE 3.44Å; A2969-M2973 WeakPolarHBondContact O-CG 3.25Å; A2969-M2973 PolarHBondContact O-N 3.11Å; A2970-M2973 PolarHBondContact O-N 2.99Å; M2973-M2976 PolarHBondContact O-N 3.34Å; M2973-A2977 WeakPolarHBondContact O-CB 3.32Å; M2973-A2977 PolarHBondContact O-N 2.82Å
2974	A	57.1	Low	52.2	Low	64 Å²	64	102.5 Å²	102.5	53%	0.529	63%	0.627	S	S	.	*	H	α-helix	trans	-64.7	-41.7	173.2	0	0	0	0	0	112.1	A2970 A2971 A2977 A2978	A2970-A2974 VanDerWaalsContact O-CB 3.29Å; A2970-A2974 WeakPolarHBondContact O-CB 3.45Å; A2970-A2974 PolarHBondContact O-N 3.08Å; A2971-A2974 PolarHBondContact O-N 3.01Å; A2974-A2977 PolarHBondContact O-N 3.47Å; A2974-A2978 VanDerWaalsContact O-CB 3.24Å; A2974-A2978 WeakPolarHBondContact O-CB 3.33Å; A2974-A2978 PolarHBondContact O-N 2.83Å
2975	A	57.3	Low	51.5	Low	56 Å²	56	103.7 Å²	103.7	46%	0.463	63%	0.629	S	S	.	*	H	α-helix	trans	-66.6	-39.5	175.5	0	0	0	0	0	112.6	A2971 T2972 A2978 M2979	A2971-A2975 VanDerWaalsContact O-CB 3.23Å; A2971-A2975 WeakPolarHBondContact O-CB 3.38Å; A2971-A2975 PolarHBondContact O-N 3.36Å; T2972-A2975 PolarHBondContact O-N 2.85Å; A2975-A2978 PolarHBondContact O-N 3.02Å; A2975-M2979 WeakPolarHBondContact O-CG 3.41Å; A2975-M2979 PolarHBondContact O-N 3.4Å
2976	M	60.2	Low	50.4	Low	126.5 Å²	126.5	107.4 Å²	107.4	62%	0.623	64%	0.637	S	S	*	*	H	α-helix	trans	-63.7	-45.5	174.7	-69.6	-84.9	-131.1	0	0	111.4	T2972 M2973 A2978 M2979 T2980	T2972-M2976 HydrophobicContact CG2-CE 4.43Å; T2972-M2976 HydrophobicContact CG2-CG 4.35Å; T2972-M2976 WeakPolarHBondContact O-CB 3.34Å; T2972-M2976 WeakPolarHBondContact O-CG 3.41Å; T2972-M2976 PolarHBondContact O-N 3.1Å; M2973-M2976 PolarHBondContact O-N 3.34Å; M2976-A2978 VanDerWaalsContact C-N 3.34Å; M2976-A2978 PolarHBondContact O-N 2.92Å; M2976-M2979 PolarHBondContact O-N 3.33Å; M2976-M2979 VanDerWaalsContact O-N 3.11Å; M2976-T2980 PolarHBondContact O-N 3.32Å
2977	A	53.1	Low	49.3	Very low	69 Å²	69	107.8 Å²	107.8	57%	0.57	64%	0.644	S	S	*	*	H	α-helix	trans	-65.3	-28.7	178.2	0	0	0	0	0	113.2	M2973 A2974 M2979 T2980	M2973-A2977 WeakPolarHBondContact O-CB 3.32Å; M2973-A2977 PolarHBondContact O-N 2.82Å; A2974-A2977 PolarHBondContact O-N 3.47Å; A2977-M2979 PolarHBondContact O-N 2.91Å; A2977-T2980 PolarHBondContact O-OG1 2.98Å
2978	A	51.3	Low	48.3	Very low	85 Å²	85	103.3 Å²	103.3	70%	0.702	64%	0.64	S	S	*	*	H	α-helix	trans	-75.2	-13.6	175.8	0	0	0	0	0	113.9	A2974 A2975 M2976	A2974-A2978 VanDerWaalsContact O-CB 3.24Å; A2974-A2978 WeakPolarHBondContact O-CB 3.33Å; A2974-A2978 PolarHBondContact O-N 2.83Å; A2975-A2978 PolarHBondContact O-N 3.02Å; M2976-A2978 VanDerWaalsContact C-N 3.34Å; M2976-A2978 PolarHBondContact O-N 2.92Å
2979	M	47.5	Very low	47	Very low	161 Å²	161	107.5 Å²	107.5	79%	0.793	65%	0.654	S	S	*	*	H	α-helix	trans	-103.5	2	-179	-65.2	-146.9	-61	0	0	114.7	A2975 M2976 A2977 G2981	A2975-M2979 WeakPolarHBondContact O-CG 3.41Å; A2975-M2979 PolarHBondContact O-N 3.4Å; M2976-M2979 PolarHBondContact O-N 3.33Å; M2976-M2979 VanDerWaalsContact O-N 3.11Å; A2977-M2979 PolarHBondContact O-N 2.91Å; M2979-G2981 PolarHBondContact O-N 3.1Å
2980	T	44.8	Very low	45.6	Very low	114.5 Å²	114.5	108.5 Å²	108.5	70%	0.702	67%	0.669	S	S	*	*			trans	-103.4	66.8	179.1	53.6	0	0	0	0	114.1	M2976 A2977	M2976-T2980 PolarHBondContact O-N 3.32Å; A2977-T2980 PolarHBondContact O-OG1 2.98Å
2981	G	37.7	Very low	44.2	Very low	60.5 Å²	60.5	115 Å²	115	62%	0.624	69%	0.69	S	S	*	*			trans	3.8	163.9	159.7	0	0	0	0	0	115.2	M2979 T2983	M2979-G2981 PolarHBondContact O-N 3.1Å; G2981-T2983 PolarHBondContact O-N 2.85Å; G2981-T2983 VanDerWaalsContact O-N 3.14Å
2982	P	41.3	Very low	42.7	Very low	135 Å²	135	118.5 Å²	118.5	88%	0.877	71%	0.705	S	S	*	*				-92.1	137.8	-86.1	34.7	-33.1	0	0	0	113.7
2983	T	33.4	Very low	41.1	Very low	132 Å²	132	122 Å²	122	81%	0.81	73%	0.727	S	S	*	*			trans	-91.5	150.1	172.2	49.8	0	0	0	0	111.9	G2981	G2981-T2983 PolarHBondContact O-N 2.85Å; G2981-T2983 VanDerWaalsContact O-N 3.14Å
2984	Q	35.5	Very low	39.6	Very low	177.5 Å²	177.5	120.5 Å²	120.5	83%	0.829	74%	0.735	S	S	*	*			trans	11	133.2	174.2	-59.9	169.7	-7.8	0	0	112.3
2985	D	31.3	Very low	38.5	Very low	130.5 Å²	130.5	122.8 Å²	122.8	70%	0.698	75%	0.747	S	S	*	*			cis	-165.1	159.4	44.4	-120.5	-24.2	0	0	0	114.9
2986	M	28.7	Very low	37.3	Very low	148 Å²	148	126 Å²	126	73%	0.729	76%	0.761	S	S	*	*			trans	4.6	129.9	165.1	-54.6	-58.8	153.4	0	0	121.4
2987	T	33	Very low	35.9	Very low	137 Å²	137	125.4 Å²	125.4	84%	0.84	77%	0.769	S	S	*	*				120.4	142.7	123	47.9	0	0	0	0	117.4
2988	S	32.4	Very low	35	Very low	98 Å²	98	132.5 Å²	132.5	69%	0.685	78%	0.782	S	S	*	*				117.2	124.9	60.7	178.5	0	0	0	0	115.4
2989	F	28.5	Very low	34.1	Very low	208 Å²	208	134 Å²	134	91%	0.912	79%	0.788	S	S	*	*				129.7	156.9	67	-97	-116.4	0	0	0	115
2990	G	32	Very low	33.2	Very low	64.5 Å²	64.5	133.9 Å²	133.9	67%	0.665	79%	0.79	S	S	*	*				158	107.4	75.8	0	0	0	0	0	115.6
2991	Q	34.8	Very low	32.7	Very low	190 Å²	190	133.7 Å²	133.7	89%	0.888	79%	0.794	S	S	*	*			trans	63.9	134.7	165.7	-64	176.7	-12	0	0	117.9
2992	T	29.8	Very low	32.3	Very low	131.5 Å²	131.5	137.6 Å²	137.6	81%	0.807	79%	0.793	S	S	*	*			cis	156.1	124.2	47.4	-59.5	0	0	0	0	113.9
2993	V	31.2	Very low	31.9	Very low	145 Å²	145	136.3 Å²	136.3	88%	0.879	79%	0.785	S	S	*	*			trans	-139.7	146.7	159.2	-168	0	0	0	0	109.3
2994	A	31.5	Very low	31.9	Very low	98 Å²	98	135.6 Å²	135.6	81%	0.81	77%	0.772	S	S	*	*			trans	-108.8	126.6	173.1	0	0	0	0	0	110.9
2995	S	34	Very low	32.2	Very low	112 Å²	112	129.4 Å²	129.4	78%	0.783	75%	0.746	S	S	*	*				147.4	125.2	123	-169.2	0	0	0	0	110.7	S2997	S2995-S2997 PolarHBondContact O-N 2.82Å
2996	V	31.7	Very low	32.6	Very low	123.5 Å²	123.5	126.6 Å²	126.6	75%	0.748	74%	0.737	S	S	*	*			trans	-94.2	119.7	-177.3	178	0	0	0	0	109.8	Y2998	V2996-Y2998 PolarHBondContact O-N 2.87Å
2997	S	30.1	Very low	33.6	Very low	113 Å²	113	121.7 Å²	121.7	79%	0.79	72%	0.721	S	S	*	*			trans	-92.4	123.6	169	-64.3	0	0	0	0	110.4	S2995	S2995-S2997 PolarHBondContact O-N 2.82Å
2998	Y	34.9	Very low	34	Very low	218.5 Å²	218.5	120 Å²	120	86%	0.857	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-78.9	138.1	168	-87	-100	0	0	0	110.3	V2996 D3000	V2996-Y2998 PolarHBondContact O-N 2.87Å; Y2998-D3000 PolarHBondContact O-N 2.82Å
2999	S	31.9	Very low	34.6	Very low	116 Å²	116	122.2 Å²	122.2	81%	0.811	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-107.8	137.3	171.5	-62	0	0	0	0	110.1
3000	D	29	Very low	35.9	Very low	159 Å²	159	112.5 Å²	112.5	85%	0.85	67%	0.667	S	S	*	*			trans	-75.6	131.2	-174.3	-176.5	11.3	0	0	0	112.3	Y2998 K3002	Y2998-D3000 PolarHBondContact O-N 2.82Å; D3000-K3002 PolarHBondContact OD1-N 2.82Å
3001	S	34	Very low	37.1	Very low	111 Å²	111	111.5 Å²	111.5	78%	0.776	66%	0.656	S	S	*	*			trans	-127.6	48.6	171	72.9	0	0	0	0	112.5
3002	K	28.8	Very low	38.6	Very low	141 Å²	141	102.6 Å²	102.6	61%	0.613	62%	0.615	S	S	*	*			trans	38.3	82.4	147.6	-170.2	-176.6	169.8	162.6	0	116.7	D3000 Q3004	D3000-K3002 PolarHBondContact OD1-N 2.82Å; K3002-Q3004 HydrophobicContact CD-CB 4.34Å; K3002-Q3004 VanDerWaalsContact CE-CB 3.43Å; K3002-Q3004 HydrophobicContact CG-CB 3.8Å; K3002-Q3004 PolarHBondContact O-N 2.82Å
3003	P	33.1	Very low	40.2	Very low	108 Å²	108	103 Å²	103	70%	0.701	61%	0.607	S	S	*	*			trans	-81.3	49.4	164.9	35.3	-35.5	0	0	0	111.8	V3005	P3003-V3005 PolarHBondContact O-N 2.84Å
3004	Q	33.4	Very low	42.6	Very low	117 Å²	117	102.8 Å²	102.8	55%	0.547	60%	0.597	S	S	.	*			trans	-84.8	62.6	176.8	-165.3	-164.2	7.2	0	0	110.6	K3002	K3002-Q3004 HydrophobicContact CD-CB 4.34Å; K3002-Q3004 VanDerWaalsContact CE-CB 3.43Å; K3002-Q3004 HydrophobicContact CG-CB 3.8Å; K3002-Q3004 PolarHBondContact O-N 2.82Å
3005	V	41.9	Very low	45.4	Very low	47 Å²	47	99.7 Å²	99.7	29%	0.285	56%	0.564	S	S	.	*			trans	-99.5	96.7	179.1	-153.2	0	0	0	0	109.3	P3003 H3009 L3010 I3199	P3003-V3005 PolarHBondContact O-N 2.84Å; V3005-H3009 HydrophobicContact CG1-CB 4.31Å; V3005-L3010 HydrophobicContact CB-CD1 3.96Å; V3005-L3010 HydrophobicContact CG1-CD1 3.52Å; V3005-L3010 HydrophobicContact CG1-CD2 3.97Å; V3005-L3010 HydrophobicContact CG1-CG 3.66Å; V3005-I3199 HydrophobicContact CB-CD1 4.4Å
3006	S	39.7	Very low	48.2	Very low	72 Å²	72	97.6 Å²	97.6	50%	0.503	55%	0.548	S	S	.	.			trans	-64.6	139.9	173.7	52.5	0	0	0	0	110.4	T3008 H3009	S3006-T3008 PolarHBondContact O-N 3.2Å; S3006-T3008 PolarHBondContact OG-OG1 3.04Å; S3006-H3009 PolarHBondContact O-N 3.21Å
3007	A	49.3	Very low	51.1	Low	46 Å²	46	94 Å²	94	38%	0.38	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-52.6	-23.8	-175	0	0	0	0	0	114.6	H3009 L3010 I3012	A3007-H3009 VanDerWaalsContact C-N 3.29Å; A3007-H3009 PolarHBondContact O-N 3.39Å; A3007-L3010 PolarHBondContact O-N 3.1Å; A3007-I3012 HydrophobicContact CB-CB 4.37Å; A3007-I3012 HydrophobicContact CB-CG2 4.17Å
3008	T	42	Very low	54.1	Low	100 Å²	100	90.2 Å²	90.2	61%	0.613	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-59.3	-27.9	173.5	48.5	0	0	0	0	115.1	S3006	S3006-T3008 PolarHBondContact O-N 3.2Å; S3006-T3008 PolarHBondContact OG-OG1 3.04Å
3009	H	46	Very low	57	Low	146 Å²	146	80.4 Å²	80.4	68%	0.676	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-87.7	-15.9	-177.5	-168.9	-96.8	0	0	0	113.7	V3005 S3006 A3007	V3005-H3009 HydrophobicContact CG1-CB 4.31Å; S3006-H3009 PolarHBondContact O-N 3.21Å; A3007-H3009 VanDerWaalsContact C-N 3.29Å; A3007-H3009 PolarHBondContact O-N 3.39Å
3010	L	55.6	Low	59.9	Low	4 Å²	4	81 Å²	81	2%	0.021	44%	0.443	C	S	.	.	S	Bend	trans	-100.6	8.2	-162.8	-73.6	142.8	0	0	0	114.7	V3005 A3007 I3012 S3193 N3197 I3199	V3005-L3010 HydrophobicContact CB-CD1 3.96Å; V3005-L3010 HydrophobicContact CG1-CD1 3.52Å; V3005-L3010 HydrophobicContact CG1-CD2 3.97Å; V3005-L3010 HydrophobicContact CG1-CG 3.66Å; A3007-L3010 PolarHBondContact O-N 3.1Å; L3010-I3012 HydrophobicContact CB-CB 4.28Å; L3010-I3012 HydrophobicContact CB-CD1 3.5Å; L3010-I3012 HydrophobicContact CB-CG1 3.65Å; L3010-I3012 HydrophobicContact CD1-CD1 3.73Å; L3010-I3012 HydrophobicContact CG-CD1 4.14Å; L3010-I3012 PolarHBondContact O-N 2.8Å; L3010-S3193 WeakPolarHBondContact O-CB 3.4Å; L3010-S3193 PolarHBondContact O-OG 2.81Å; L3010-N3197 HydrophobicContact CD2-CB 3.57Å; L3010-N3197 VanDerWaalsContact CD2-CG 3.45Å; L3010-N3197 WeakPolarHBondContact CD2-ND2 3.5Å; L3010-I3199 HydrophobicContact CD1-CD1 3.33Å; L3010-I3199 HydrophobicContact CD2-CD1 3.5Å; L3010-I3199 VanDerWaalsContact CD2-CD1 3.5Å; L3010-I3199 HydrophobicContact CG-CD1 4.05Å
3011	G	56.8	Low	63	Low	42 Å²	42	73.5 Å²	73.5	43%	0.433	40%	0.402	S	S	.	.	S	Bend	trans	67.9	-10.2	-166.4	0	0	0	0	0	114.5	Q3013 E3014	G3011-Q3013 PolarHBondContact O-N 2.97Å; G3011-E3014 WeakPolarHBondContact O-CB 3.31Å; G3011-E3014 PolarHBondContact O-N 3.3Å
3012	I	66.9	Low	65.9	Low	4 Å²	4	71.1 Å²	71.1	2%	0.021	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-54.3	-23	177.8	-64.7	169.3	0	0	0	112.4	A3007 L3010 E3014 Y3015 H3035 L3116 L3190	A3007-I3012 HydrophobicContact CB-CB 4.37Å; A3007-I3012 HydrophobicContact CB-CG2 4.17Å; L3010-I3012 HydrophobicContact CB-CB 4.28Å; L3010-I3012 HydrophobicContact CB-CD1 3.5Å; L3010-I3012 HydrophobicContact CB-CG1 3.65Å; L3010-I3012 HydrophobicContact CD1-CD1 3.73Å; L3010-I3012 HydrophobicContact CG-CD1 4.14Å; L3010-I3012 PolarHBondContact O-N 2.8Å; I3012-E3014 PolarHBondContact O-N 3.36Å; I3012-Y3015 PolarHBondContact O-N 3.42Å; I3012-Y3015 VanDerWaalsContact O-O 3.13Å; I3012-H3035 WeakPolarHBondContact CG2-CE1 3.37Å; I3012-H3035 WeakPolarHBondContact CG2-ND1 3.23Å; I3012-L3116 HydrophobicContact CD1-CD1 3.88Å; I3012-L3116 HydrophobicContact CG2-CD1 4.34Å; I3012-L3190 HydrophobicContact CG1-CD1 3.67Å
3013	Q	62	Low	69.1	Low	141 Å²	141	64.4 Å²	64.4	66%	0.659	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-59.8	-21.5	173.4	-171.6	54.9	79.7	0	0	114.3	G3011 Y3015	G3011-Q3013 PolarHBondContact O-N 2.97Å; Q3013-Y3015 VanDerWaalsContact C-N 3.32Å
3014	E	81.4	Confident	72.2	Confident	140 Å²	140	59.9 Å²	59.9	65%	0.654	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-72.4	-24	171.3	-176.9	176.2	-143.3	0	0	112.6	G3011 I3012 P3016	G3011-E3014 WeakPolarHBondContact O-CB 3.31Å; G3011-E3014 PolarHBondContact O-N 3.3Å; I3012-E3014 PolarHBondContact O-N 3.36Å; E3014-P3016 WeakPolarHBondContact O-CD 3.46Å
3015	Y	90.2	Very high	75.2	Confident	33 Å²	33	54.5 Å²	54.5	13%	0.129	29%	0.293	C	S	.	.	S	Bend	trans	-104.4	97.6	-173.2	-60.2	-92	0	0	0	109.4	I3012 Q3013 H3035 Y3036 V3037 A3187 L3190	I3012-Y3015 PolarHBondContact O-N 3.42Å; I3012-Y3015 VanDerWaalsContact O-O 3.13Å; Q3013-Y3015 VanDerWaalsContact C-N 3.32Å; Y3015-H3035 PolarHBondContact O-ND1 2.9Å; Y3015-Y3036 WeakPolarHBondContact CD1-O 3.49Å; Y3015-V3037 HydrophobicContact CD1-CG2 4.38Å; Y3015-A3187 HydrophobicContact CE1-CB 3.81Å; Y3015-L3190 HydrophobicContact CD1-CD2 3.9Å; Y3015-L3190 HydrophobicContact CD2-CB 4.48Å; Y3015-L3190 HydrophobicContact CD2-CD1 4.16Å; Y3015-L3190 HydrophobicContact CD2-CD2 4.09Å; Y3015-L3190 HydrophobicContact CD2-CG 4.49Å; Y3015-L3190 HydrophobicContact CE1-CD2 3.96Å; Y3015-L3190 HydrophobicContact CE2-CB 3.9Å; Y3015-L3190 HydrophobicContact CE2-CD1 4.36Å; Y3015-L3190 HydrophobicContact CE2-CD2 4.2Å; Y3015-L3190 HydrophobicContact CE2-CG 4.39Å; Y3015-L3190 HydrophobicContact CG-CD2 3.98Å
3016	P	93.4	Very high	77.6	Confident	67 Å²	67	56.6 Å²	56.6	44%	0.435	30%	0.298	S	S	.	.			trans	-67.6	142.5	-168.5	27.1	-34.9	0	0	0	111.9	E3014 I3018 H3035 Y3036	E3014-P3016 WeakPolarHBondContact O-CD 3.46Å; P3016-I3018 HydrophobicContact CG-CG2 4.43Å; P3016-I3018 PolarHBondContact O-N 2.99Å; P3016-H3035 CarbonylContact O-C 3.58Å; P3016-H3035 WeakPolarHBondContact O-CA 3.27Å; P3016-Y3036 PolarHBondContact O-N 3.38Å
3017	V	93.3	Very high	80.2	Confident	48 Å²	48	60.4 Å²	60.4	29%	0.291	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	114.8	171.2	-178.1	0	0	0	0	108.8	W3019 R3020 N3033 M3034 H3035	V3017-W3019 WeakPolarHBondContact CG1-O 3.45Å; V3017-R3020 HydrophobicContact CG1-CG 3.61Å; V3017-N3033 HydrophobicContact CG1-CB 3.93Å; V3017-N3033 HydrophobicContact CG2-CB 4.13Å; V3017-M3034 CarbonylContact C-O 3.58Å; V3017-M3034 WeakPolarHBondContact CA-O 3.39Å; V3017-H3035 WeakPolarHBondContact CG2-CE1 3.22Å
3018	I	93.7	Very high	82.4	Confident	33 Å²	33	62.1 Å²	62.1	17%	0.169	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-12.5	-177.9	63.6	160.5	0	0	0	113.7	P3016 M3034 Y3036 Q3041 L3044	P3016-I3018 HydrophobicContact CG-CG2 4.43Å; P3016-I3018 PolarHBondContact O-N 2.99Å; I3018-M3034 PolarHBondContact N-O 3.08Å; I3018-Y3036 HydrophobicContact CD1-CD2 4.06Å; I3018-Y3036 HydrophobicContact CD1-CG 4.42Å; I3018-Q3041 HydrophobicContact CD1-CG 3.93Å; I3018-Q3041 HydrophobicContact CG2-CG 4.18Å; I3018-L3044 HydrophobicContact CD1-CB 4.31Å; I3018-L3044 HydrophobicContact CD1-CD2 3.43Å; I3018-L3044 VanDerWaalsContact CD1-CD2 3.43Å; I3018-L3044 HydrophobicContact CD1-CG 4.48Å; I3018-L3044 HydrophobicContact CG1-CD2 3.68Å
3019	W	94.2	Very high	84.9	Confident	14 Å²	14	60.8 Å²	60.8	5%	0.053	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	148.7	169.1	-178.5	88	0	0	0	110.6	V3017 L3023 V3032 M3034 L3044 M3048 L3084	V3017-W3019 WeakPolarHBondContact CG1-O 3.45Å; W3019-L3023 HydrophobicContact CH2-CD2 4.37Å; W3019-L3023 HydrophobicContact CZ3-CD2 4.35Å; W3019-V3032 HydrophobicContact CE3-CG2 4.48Å; W3019-V3032 HydrophobicContact CZ3-CG2 3.73Å; W3019-M3034 HydrophobicContact CB-CB 4.21Å; W3019-M3034 HydrophobicContact CB-SD 4.35Å; W3019-M3034 HydrophobicContact CD2-SD 4.19Å; W3019-M3034 HydrophobicContact CE3-CB 4.46Å; W3019-M3034 HydrophobicContact CE3-CE 3.81Å; W3019-M3034 HydrophobicContact CE3-CG 3.82Å; W3019-M3034 HydrophobicContact CE3-SD 3.61Å; W3019-M3034 HydrophobicContact CZ3-CE 3.79Å; W3019-M3034 HydrophobicContact CZ3-CG 4.47Å; W3019-M3034 HydrophobicContact CZ3-SD 4.24Å; W3019-M3034 PolarHBondContact O-N 3.3Å; W3019-L3044 HydrophobicContact CB-CD2 3.75Å; W3019-M3048 HydrophobicContact CZ2-SD 4.44Å; W3019-M3048 PolarHBondContact NE1-SD 3.18Å; W3019-M3048 VanDerWaalsContact NE1-SD 3.42Å; W3019-L3084 HydrophobicContact CH2-CD1 3.48Å; W3019-L3084 VanDerWaalsContact CH2-CD1 3.48Å; W3019-L3084 HydrophobicContact CH2-CG 3.78Å; W3019-L3084 HydrophobicContact CZ2-CD1 3.6Å; W3019-L3084 HydrophobicContact CZ2-CD2 4.41Å; W3019-L3084 HydrophobicContact CZ2-CG 3.79Å; W3019-L3084 HydrophobicContact CZ3-CD1 4.12Å
3020	R	94.1	Very high	87.4	Confident	129 Å²	129	53.8 Å²	53.8	49%	0.487	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.8	171.3	-59.1	-166.5	173	113.9	-0.7	108.6	V3017 F3031 V3032 N3033	V3017-R3020 HydrophobicContact CG1-CG 3.61Å; R3020-F3031 HydrophobicContact CB-CZ 4.46Å; R3020-V3032 WeakPolarHBondContact CA-O 3.26Å; R3020-N3033 WeakPolarHBondContact CD-OD1 3.27Å; R3020-N3033 VanDerWaalsContact CG-OD1 3.24Å; R3020-N3033 WeakPolarHBondContact CG-OD1 3.5Å; R3020-N3033 PolarHBondContact NE-OD1 2.71Å
3021	G	93.4	Very high	89.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.9	-157.4	178.3	0	0	0	0	0	112.3	F3031 V3032	G3021-F3031 CarbonylContact O-C 3.55Å; G3021-F3031 WeakPolarHBondContact O-CA 3.3Å; G3021-V3032 PolarHBondContact N-O 3.47Å; G3021-V3032 VanDerWaalsContact N-O 3.15Å; G3021-V3032 PolarHBondContact O-N 2.68Å
3022	R	95.1	Very high	91.2	Very high	62 Å²	62	53.2 Å²	53.2	23%	0.234	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.1	-175.2	-61.3	179	-65.1	155.2	-11.7	110.2	E3029 V3030 F3031 P3080 H3081 P3083 L3084	R3022-E3029 HydrophobicContact CB-CG 4.05Å; R3022-E3029 WeakPolarHBondContact CB-OE1 3.49Å; R3022-E3029 WeakPolarHBondContact CD-OE1 3.43Å; R3022-E3029 IonicContact CZ-OE1 2.66Å; R3022-E3029 IonicContact NE-OE1 2.62Å; R3022-E3029 PolarHBondContact NE-OE1 2.91Å; R3022-E3029 VanDerWaalsContact NH1-CD 3.32Å; R3022-E3029 IonicContact NH1-OE1 3.07Å; R3022-E3029 PolarHBondContact NH1-OE1 2.96Å; R3022-E3029 IonicContact NH1-OE2 3.14Å; R3022-E3029 PolarHBondContact NH1-OE2 3.19Å; R3022-E3029 VanDerWaalsContact NH1-OE2 3.11Å; R3022-V3030 CarbonylContact C-O 3.54Å; R3022-V3030 WeakPolarHBondContact CA-O 3.42Å; R3022-F3031 HydrophobicContact CG-CD2 3.81Å; R3022-P3080 PolarHBondContact NH2-O 3.22Å; R3022-P3080 VanDerWaalsContact NH2-O 3.14Å; R3022-H3081 PolarHBondContact NE-O 3.18Å; R3022-H3081 PolarHBondContact NH2-O 2.72Å; R3022-P3083 HydrophobicContact CB-CB 3.91Å; R3022-P3083 CarbonylContact O-C 3.53Å; R3022-P3083 VanDerWaalsContact O-CA 3.27Å; R3022-P3083 WeakPolarHBondContact O-CA 3.26Å; R3022-L3084 PolarHBondContact O-N 2.99Å
3023	L	96.6	Very high	92.5	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.2	162.7	-56.7	-175.7	0	0	0	108.1	W3019 E3029 V3030 V3032 M3034 L3084 T3115 F3143	W3019-L3023 HydrophobicContact CH2-CD2 4.37Å; W3019-L3023 HydrophobicContact CZ3-CD2 4.35Å; L3023-E3029 CarbonylContact O-C 3.23Å; L3023-E3029 WeakPolarHBondContact O-CA 3.3Å; L3023-V3030 HydrophobicContact CB-CG1 4.08Å; L3023-V3030 PolarHBondContact N-O 3.28Å; L3023-V3030 PolarHBondContact O-N 3.34Å; L3023-V3032 HydrophobicContact CD1-CG1 4.2Å; L3023-V3032 HydrophobicContact CD1-CG2 4.15Å; L3023-V3032 HydrophobicContact CD2-CG2 4.36Å; L3023-V3032 HydrophobicContact CG-CG1 4.25Å; L3023-V3032 HydrophobicContact CG-CG2 3.8Å; L3023-M3034 HydrophobicContact CD2-CE 4.19Å; L3023-L3084 HydrophobicContact CD2-CB 3.89Å; L3023-L3084 HydrophobicContact CD2-CD1 4Å; L3023-L3084 HydrophobicContact CD2-CG 4.37Å; L3023-T3115 HydrophobicContact CD1-CG2 4.2Å; L3023-F3143 HydrophobicContact CB-CE1 3.82Å; L3023-F3143 HydrophobicContact CB-CZ 4.24Å; L3023-F3143 WeakPolarHBondContact O-CZ 3.36Å
3024	S	96.8	Very high	94.1	Very high	12 Å²	12	47.4 Å²	47.4	8%	0.084	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.1	172.7	60.6	0	0	0	0	111.2	E3028 P3083 L3084 R3085 I3086	S3024-E3028 CarbonylContact C-O 3.32Å; S3024-E3028 VanDerWaalsContact CA-O 3.27Å; S3024-E3028 WeakPolarHBondContact CA-O 3.39Å; S3024-P3083 WeakPolarHBondContact OG-CB 3.39Å; S3024-L3084 PolarHBondContact N-O 2.89Å; S3024-L3084 PolarHBondContact OG-O 3.49Å; S3024-R3085 WeakPolarHBondContact OG-CA 3.39Å; S3024-R3085 WeakPolarHBondContact OG-CG 3.2Å; S3024-I3086 PolarHBondContact O-N 3.03Å
3025	L	97	Very high	94.8	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	112.3	-177.5	171.3	67.1	0	0	0	107.5	I2251 N3027 E3028 I3086 G3142 F3143 Y3146	I2251-L3025 HydrophobicContact CD1-CD1 3.63Å; L3025-N3027 PolarHBondContact O-N 3.22Å; L3025-E3028 PolarHBondContact N-O 3.01Å; L3025-E3028 PolarHBondContact O-N 3.46Å; L3025-E3028 VanDerWaalsContact O-N 3.08Å; L3025-I3086 HydrophobicContact CB-CB 4.43Å; L3025-I3086 HydrophobicContact CB-CD1 4.49Å; L3025-I3086 HydrophobicContact CD1-CB 3.93Å; L3025-I3086 HydrophobicContact CD1-CG2 3.9Å; L3025-G3142 WeakPolarHBondContact CD2-O 3.24Å; L3025-F3143 HydrophobicContact CB-CD1 3.85Å; L3025-F3143 HydrophobicContact CB-CE1 3.4Å; L3025-F3143 HydrophobicContact CB-CE2 4.32Å; L3025-F3143 HydrophobicContact CB-CG 4.48Å; L3025-F3143 HydrophobicContact CB-CZ 3.66Å; L3025-F3143 HydrophobicContact CD2-CB 4.32Å; L3025-F3143 HydrophobicContact CD2-CD1 3.81Å; L3025-F3143 HydrophobicContact CD2-CE1 4.26Å; L3025-F3143 HydrophobicContact CD2-CG 3.99Å; L3025-F3143 HydrophobicContact CG-CE1 4.49Å; L3025-Y3146 HydrophobicContact CD1-CD1 4.2Å; L3025-Y3146 HydrophobicContact CD1-CE1 4.06Å; L3025-Y3146 HydrophobicContact CD2-CD1 3.77Å; L3025-Y3146 HydrophobicContact CD2-CE1 4.47Å; L3025-Y3146 HydrophobicContact CD2-CG 4.48Å; L3025-Y3146 HydrophobicContact CG-CD1 4.4Å
3026	K	93.2	Very high	95.1	Very high	90 Å²	90	42.4 Å²	42.4	39%	0.391	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-128.4	-167.1	-46.9	172.5	-163.5	154.8	0	110	D2249 I2251	D2249-K3026 HydrophobicContact CB-CB 4.44Å; D2249-K3026 HydrophobicContact CB-CG 4.46Å; D2249-K3026 VanDerWaalsContact OD2-CA 3.29Å; D2249-K3026 WeakPolarHBondContact OD2-CA 3.43Å; D2249-K3026 WeakPolarHBondContact OD2-CB 3.27Å; I2251-K3026 HydrophobicContact CD1-CG 3.9Å
3027	N	93.1	Very high	95.2	Very high	152 Å²	152	40 Å²	40	81%	0.813	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	1.4	177.7	-57.6	-75.6	0	0	0	114.8	D2249 L3025	D2249-N3027 PolarHBondContact OD2-ND2 3.36Å; L3025-N3027 PolarHBondContact O-N 3.22Å
3028	E	95.3	Very high	95.3	Very high	82 Å²	82	38.4 Å²	38.4	38%	0.383	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.6	-178.9	-68.8	-170.1	-116.6	0	0	112.1	S3024 L3025 I3138 G3142 F3143	S3024-E3028 CarbonylContact C-O 3.32Å; S3024-E3028 VanDerWaalsContact CA-O 3.27Å; S3024-E3028 WeakPolarHBondContact CA-O 3.39Å; L3025-E3028 PolarHBondContact N-O 3.01Å; L3025-E3028 PolarHBondContact O-N 3.46Å; L3025-E3028 VanDerWaalsContact O-N 3.08Å; E3028-I3138 HydrophobicContact CB-CG2 4.29Å; E3028-G3142 VanDerWaalsContact CD-CA 3.42Å; E3028-G3142 VanDerWaalsContact OE1-CA 3.22Å; E3028-G3142 WeakPolarHBondContact OE1-CA 3.27Å; E3028-G3142 VanDerWaalsContact OE2-CA 3.25Å; E3028-G3142 WeakPolarHBondContact OE2-CA 3.18Å; E3028-F3143 HydrophobicContact CB-CE2 4.13Å
3029	E	96.1	Very high	95.4	Very high	72 Å²	72	37.4 Å²	37.4	34%	0.336	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.1	-179.2	-172.3	178.3	-145.2	0	0	110.6	R3022 L3023 P3083	R3022-E3029 HydrophobicContact CB-CG 4.05Å; R3022-E3029 WeakPolarHBondContact CB-OE1 3.49Å; R3022-E3029 WeakPolarHBondContact CD-OE1 3.43Å; R3022-E3029 IonicContact CZ-OE1 2.66Å; R3022-E3029 IonicContact NE-OE1 2.62Å; R3022-E3029 PolarHBondContact NE-OE1 2.91Å; R3022-E3029 VanDerWaalsContact NH1-CD 3.32Å; R3022-E3029 IonicContact NH1-OE1 3.07Å; R3022-E3029 PolarHBondContact NH1-OE1 2.96Å; R3022-E3029 IonicContact NH1-OE2 3.14Å; R3022-E3029 PolarHBondContact NH1-OE2 3.19Å; R3022-E3029 VanDerWaalsContact NH1-OE2 3.11Å; L3023-E3029 CarbonylContact O-C 3.23Å; L3023-E3029 WeakPolarHBondContact O-CA 3.3Å; E3029-P3083 VanDerWaalsContact OE1-CB 3.26Å; E3029-P3083 WeakPolarHBondContact OE1-CB 3.43Å; E3029-P3083 VanDerWaalsContact OE1-CG 3.3Å; E3029-P3083 WeakPolarHBondContact OE1-CG 3.33Å
3030	V	96.5	Very high	95.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.5	-179	63.1	0	0	0	0	111.3	R3022 L3023 V3032 A3117 M3135 I3138 L3139 F3143	R3022-V3030 CarbonylContact C-O 3.54Å; R3022-V3030 WeakPolarHBondContact CA-O 3.42Å; L3023-V3030 HydrophobicContact CB-CG1 4.08Å; L3023-V3030 PolarHBondContact N-O 3.28Å; L3023-V3030 PolarHBondContact O-N 3.34Å; V3030-V3032 HydrophobicContact CG1-CG1 3.96Å; V3030-V3032 HydrophobicContact CG2-CG1 4.18Å; V3030-A3117 HydrophobicContact CG2-CB 4.35Å; V3030-M3135 HydrophobicContact CB-CE 4.38Å; V3030-M3135 HydrophobicContact CG2-CB 4.09Å; V3030-M3135 HydrophobicContact CG2-CE 4.15Å; V3030-M3135 WeakPolarHBondContact CG2-O 3.47Å; V3030-M3135 HydrophobicContact CG2-SD 4.29Å; V3030-I3138 HydrophobicContact CB-CB 4.5Å; V3030-I3138 HydrophobicContact CB-CG2 3.95Å; V3030-L3139 HydrophobicContact CG1-CD1 4.39Å; V3030-L3139 HydrophobicContact CG2-CB 4.28Å; V3030-F3143 HydrophobicContact CB-CE2 4.11Å; V3030-F3143 HydrophobicContact CG1-CD2 3.93Å; V3030-F3143 HydrophobicContact CG1-CE1 4.14Å; V3030-F3143 HydrophobicContact CG1-CE2 3.53Å; V3030-F3143 HydrophobicContact CG1-CG 4.42Å; V3030-F3143 HydrophobicContact CG1-CZ 3.65Å
3031	F	96.2	Very high	95.5	Very high	34 Å²	34	36.2 Å²	36.2	15%	0.149	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.5	172.8	-166.6	-83.2	0	0	0	109.7	R3020 G3021 R3022 S3118 P3120 M3135	R3020-F3031 HydrophobicContact CB-CZ 4.46Å; G3021-F3031 CarbonylContact O-C 3.55Å; G3021-F3031 WeakPolarHBondContact O-CA 3.3Å; R3022-F3031 HydrophobicContact CG-CD2 3.81Å; F3031-S3118 WeakPolarHBondContact CB-O 3.45Å; F3031-S3118 WeakPolarHBondContact CD1-O 3.34Å; F3031-S3118 PolarHBondContact O-N 3.32Å; F3031-P3120 HydrophobicContact CB-CG 4.07Å; F3031-P3120 HydrophobicContact CD2-CB 4.21Å; F3031-P3120 HydrophobicContact CD2-CG 4.24Å; F3031-P3120 HydrophobicContact CE2-CB 4.46Å; F3031-P3120 HydrophobicContact CG-CB 4.36Å; F3031-P3120 HydrophobicContact CG-CG 4.08Å; F3031-M3135 HydrophobicContact CB-SD 3.62Å; F3031-M3135 PolarHBondContact N-SD 3.09Å
3032	V	96.2	Very high	95.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.2	-171.2	-55.6	0	0	0	0	112.9	W3019 R3020 G3021 L3023 V3030 T3115 L3116	W3019-V3032 HydrophobicContact CE3-CG2 4.48Å; W3019-V3032 HydrophobicContact CZ3-CG2 3.73Å; R3020-V3032 WeakPolarHBondContact CA-O 3.26Å; G3021-V3032 PolarHBondContact N-O 3.47Å; G3021-V3032 VanDerWaalsContact N-O 3.15Å; G3021-V3032 PolarHBondContact O-N 2.68Å; L3023-V3032 HydrophobicContact CD1-CG1 4.2Å; L3023-V3032 HydrophobicContact CD1-CG2 4.15Å; L3023-V3032 HydrophobicContact CD2-CG2 4.36Å; L3023-V3032 HydrophobicContact CG-CG1 4.25Å; L3023-V3032 HydrophobicContact CG-CG2 3.8Å; V3030-V3032 HydrophobicContact CG1-CG1 3.96Å; V3030-V3032 HydrophobicContact CG2-CG1 4.18Å; V3032-T3115 HydrophobicContact CB-CG2 3.79Å; V3032-T3115 HydrophobicContact CG1-CG2 4.2Å; V3032-T3115 HydrophobicContact CG2-CG2 3.67Å; V3032-L3116 CarbonylContact C-O 3.58Å; V3032-L3116 WeakPolarHBondContact CA-O 3.29Å; V3032-L3116 VanDerWaalsContact CB-O 3.28Å; V3032-L3116 WeakPolarHBondContact CB-O 3.3Å
3033	N	95	Very high	95.5	Very high	21 Å²	21	37.9 Å²	37.9	11%	0.112	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.8	164.4	-63	-34.4	0	0	0	109.2	V3017 R3020 T3115 L3116 S3118	V3017-N3033 HydrophobicContact CG1-CB 3.93Å; V3017-N3033 HydrophobicContact CG2-CB 4.13Å; R3020-N3033 WeakPolarHBondContact CD-OD1 3.27Å; R3020-N3033 VanDerWaalsContact CG-OD1 3.24Å; R3020-N3033 WeakPolarHBondContact CG-OD1 3.5Å; R3020-N3033 PolarHBondContact NE-OD1 2.71Å; N3033-T3115 WeakPolarHBondContact O-CA 3.41Å; N3033-L3116 PolarHBondContact N-O 3.49Å; N3033-L3116 PolarHBondContact O-N 2.89Å; N3033-S3118 VanDerWaalsContact ND2-CB 3.28Å; N3033-S3118 WeakPolarHBondContact ND2-CB 3.38Å; N3033-S3118 PolarHBondContact ND2-OG 3.3Å
3034	M	96	Very high	95.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	110.7	168.2	-71.7	-179.6	-177.8	0	0	109.6	V3017 I3018 W3019 L3023 L3044 L3084 C3113 T3115 T3204	V3017-M3034 CarbonylContact C-O 3.58Å; V3017-M3034 WeakPolarHBondContact CA-O 3.39Å; I3018-M3034 PolarHBondContact N-O 3.08Å; W3019-M3034 HydrophobicContact CB-CB 4.21Å; W3019-M3034 HydrophobicContact CB-SD 4.35Å; W3019-M3034 HydrophobicContact CD2-SD 4.19Å; W3019-M3034 HydrophobicContact CE3-CB 4.46Å; W3019-M3034 HydrophobicContact CE3-CE 3.81Å; W3019-M3034 HydrophobicContact CE3-CG 3.82Å; W3019-M3034 HydrophobicContact CE3-SD 3.61Å; W3019-M3034 HydrophobicContact CZ3-CE 3.79Å; W3019-M3034 HydrophobicContact CZ3-CG 4.47Å; W3019-M3034 HydrophobicContact CZ3-SD 4.24Å; W3019-M3034 PolarHBondContact O-N 3.3Å; L3023-M3034 HydrophobicContact CD2-CE 4.19Å; M3034-L3044 HydrophobicContact SD-CD2 4.44Å; M3034-L3084 HydrophobicContact CE-CD1 4.29Å; M3034-C3113 HydrophobicContact CB-CB 4.07Å; M3034-T3115 HydrophobicContact CE-CG2 4.38Å; M3034-T3115 HydrophobicContact CG-CG2 3.94Å; M3034-T3204 HydrophobicContact CE-CG2 3.98Å; M3034-T3204 HydrophobicContact SD-CG2 4.34Å
3035	H	95.4	Very high	95.1	Very high	14 Å²	14	42.2 Å²	42.2	7%	0.065	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	125.2	173.7	-66.2	-103.3	0	0	0	109.4	I3012 Y3015 P3016 V3017 C3113 L3114	I3012-H3035 WeakPolarHBondContact CG2-CE1 3.37Å; I3012-H3035 WeakPolarHBondContact CG2-ND1 3.23Å; Y3015-H3035 PolarHBondContact O-ND1 2.9Å; P3016-H3035 CarbonylContact O-C 3.58Å; P3016-H3035 WeakPolarHBondContact O-CA 3.27Å; V3017-H3035 WeakPolarHBondContact CG2-CE1 3.22Å; H3035-C3113 CarbonylContact O-C 3.59Å; H3035-C3113 WeakPolarHBondContact O-CA 3.4Å; H3035-C3113 WeakPolarHBondContact O-CB 3.33Å; H3035-L3114 HydrophobicContact CB-CB 4.49Å; H3035-L3114 PolarHBondContact N-O 3.44Å; H3035-L3114 PolarHBondContact O-N 2.94Å
3036	Y	96.4	Very high	94.9	Very high	55 Å²	55	44.3 Å²	44.3	22%	0.216	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	136.3	177.9	173.7	-104.4	0	0	0	111.6	Y3015 P3016 I3018 S3038 G3039 Q3041	Y3015-Y3036 WeakPolarHBondContact CD1-O 3.49Å; P3016-Y3036 PolarHBondContact O-N 3.38Å; I3018-Y3036 HydrophobicContact CD1-CD2 4.06Å; I3018-Y3036 HydrophobicContact CD1-CG 4.42Å; Y3036-S3038 WeakPolarHBondContact CE2-O 3.27Å; Y3036-S3038 WeakPolarHBondContact OH-CA 3.39Å; Y3036-G3039 PolarHBondContact OH-N 3.39Å; Y3036-G3039 PolarHBondContact OH-O 2.89Å; Y3036-Q3041 HydrophobicContact CD2-CB 4.34Å; Y3036-Q3041 HydrophobicContact CD2-CG 4.44Å; Y3036-Q3041 HydrophobicContact CE2-CB 4.2Å
3037	V	95.4	Very high	94.9	Very high	15 Å²	15	40 Å²	40	9%	0.091	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-51.5	178.8	177.3	0	0	0	0	111.9	Y3015 M3112 L3114 C3186 A3187 L3190	Y3015-V3037 HydrophobicContact CD1-CG2 4.38Å; V3037-M3112 HydrophobicContact CB-CG 4.36Å; V3037-M3112 HydrophobicContact CG1-SD 4.31Å; V3037-M3112 PolarHBondContact N-O 2.91Å; V3037-L3114 HydrophobicContact CG2-CB 3.94Å; V3037-C3186 HydrophobicContact CG1-CB 4.12Å; V3037-A3187 HydrophobicContact CG1-CB 3.97Å; V3037-L3190 HydrophobicContact CG2-CD2 4.18Å
3038	S	95.4	Very high	94.8	Very high	16 Å²	16	33.1 Å²	33.1	11%	0.112	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	170.2	-178	62.6	0	0	0	0	113.1	Y3036 M3112	Y3036-S3038 WeakPolarHBondContact CE2-O 3.27Å; Y3036-S3038 WeakPolarHBondContact OH-CA 3.39Å; S3038-M3112 PolarHBondContact N-O 3.24Å; S3038-M3112 PolarHBondContact O-N 3.11Å; S3038-M3112 WeakPolarHBondContact OG-CB 3.38Å
3039	G	96	Very high	94.5	Very high	11 Å²	11	32.9 Å²	32.9	11%	0.113	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	96.2	-145.5	179	0	0	0	0	0	113.7	Y3036 I3107 F3110	Y3036-G3039 PolarHBondContact OH-N 3.39Å; Y3036-G3039 PolarHBondContact OH-O 2.89Å; G3039-I3107 CarbonylContact C-O 3.54Å; G3039-F3110 CarbonylContact C-O 3.6Å; G3039-F3110 VanDerWaalsContact CA-O 3.3Å; G3039-F3110 WeakPolarHBondContact CA-O 3.38Å
3040	N	95.7	Very high	94.3	Very high	42 Å²	42	30.2 Å²	30.2	23%	0.225	16%	0.163	C	C	.	.			trans	-108.3	105	179.6	175.8	2.4	0	0	0	110.5	D3042 L3043 I3107 N3108 F3110 C3111	N3040-D3042 PolarHBondContact O-N 2.88Å; N3040-D3042 PolarHBondContact OD1-N 3.42Å; N3040-D3042 VanDerWaalsContact OD1-N 3.1Å; N3040-L3043 HydrophobicContact CB-CD1 4.08Å; N3040-L3043 HydrophobicContact CB-CG 4.05Å; N3040-L3043 WeakPolarHBondContact O-CB 3.32Å; N3040-L3043 PolarHBondContact O-N 2.65Å; N3040-I3107 WeakPolarHBondContact CB-O 3.43Å; N3040-I3107 PolarHBondContact N-O 3.07Å; N3040-N3108 PolarHBondContact ND2-O 2.94Å; N3040-F3110 PolarHBondContact N-O 2.78Å; N3040-C3111 VanDerWaalsContact O-CB 3.31Å; N3040-C3111 WeakPolarHBondContact O-CB 3.42Å
3041	Q	94.2	Very high	93.9	Very high	76 Å²	76	30.8 Å²	30.8	36%	0.355	17%	0.165	S	C	.	.	H	α-helix	trans	-57.9	-30.1	-178.5	-170.3	-173.2	-6.5	0	0	113.6	I3018 Y3036 L3043 L3044	I3018-Q3041 HydrophobicContact CD1-CG 3.93Å; I3018-Q3041 HydrophobicContact CG2-CG 4.18Å; Y3036-Q3041 HydrophobicContact CD2-CB 4.34Å; Y3036-Q3041 HydrophobicContact CD2-CG 4.44Å; Y3036-Q3041 HydrophobicContact CE2-CB 4.2Å; Q3041-L3043 VanDerWaalsContact C-N 3.28Å; Q3041-L3043 PolarHBondContact O-N 3.46Å; Q3041-L3044 PolarHBondContact O-N 2.93Å
3042	D	94.4	Very high	93.5	Very high	84 Å²	84	31.7 Å²	31.7	45%	0.449	17%	0.174	S	C	.	.	H	α-helix	trans	-75.4	-15.9	-176.4	-66.5	-42.6	0	0	0	113.2	N3040 K3045 S3046	N3040-D3042 PolarHBondContact O-N 2.88Å; N3040-D3042 PolarHBondContact OD1-N 3.42Å; N3040-D3042 VanDerWaalsContact OD1-N 3.1Å; D3042-K3045 PolarHBondContact O-N 3.3Å; D3042-K3045 WeakPolarHBondContact OD1-CD 3.3Å; D3042-K3045 VanDerWaalsContact OD1-CE 3.27Å; D3042-K3045 WeakPolarHBondContact OD1-CE 3.46Å; D3042-K3045 IonicContact OD1-NZ 3.95Å; D3042-K3045 PolarHBondContact OD1-NZ 3Å; D3042-S3046 WeakPolarHBondContact O-CB 3.35Å; D3042-S3046 PolarHBondContact O-N 3.49Å; D3042-S3046 PolarHBondContact O-OG 2.91Å
3043	L	94.5	Very high	92.9	Very high	13 Å²	13	36.7 Å²	36.7	7%	0.068	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-41.7	169.3	-69.8	177.6	0	0	0	111.8	N3040 Q3041 K3045 S3046 C3047 N3108 F3110 C3111 Y3168 T3208	N3040-L3043 HydrophobicContact CB-CD1 4.08Å; N3040-L3043 HydrophobicContact CB-CG 4.05Å; N3040-L3043 WeakPolarHBondContact O-CB 3.32Å; N3040-L3043 PolarHBondContact O-N 2.65Å; Q3041-L3043 VanDerWaalsContact C-N 3.28Å; Q3041-L3043 PolarHBondContact O-N 3.46Å; L3043-K3045 VanDerWaalsContact C-N 3.35Å; L3043-K3045 PolarHBondContact O-N 3.43Å; L3043-S3046 PolarHBondContact O-N 3.48Å; L3043-C3047 WeakPolarHBondContact O-CB 3.42Å; L3043-C3047 PolarHBondContact O-N 2.91Å; L3043-N3108 WeakPolarHBondContact CD1-O 3.27Å; L3043-F3110 VanDerWaalsContact CD1-C 3.45Å; L3043-C3111 HydrophobicContact CB-CB 4.21Å; L3043-Y3168 HydrophobicContact CD2-CE1 4.04Å; L3043-T3208 HydrophobicContact CD1-CG2 4.49Å; L3043-T3208 HydrophobicContact CD2-CG2 3.76Å
3044	L	93.7	Very high	92.3	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-41.3	178.9	-179.2	59.9	0	0	0	110.9	I3018 W3019 M3034 Q3041 C3047 M3048 I3206	I3018-L3044 HydrophobicContact CD1-CB 4.31Å; I3018-L3044 HydrophobicContact CD1-CD2 3.43Å; I3018-L3044 VanDerWaalsContact CD1-CD2 3.43Å; I3018-L3044 HydrophobicContact CD1-CG 4.48Å; I3018-L3044 HydrophobicContact CG1-CD2 3.68Å; W3019-L3044 HydrophobicContact CB-CD2 3.75Å; M3034-L3044 HydrophobicContact SD-CD2 4.44Å; Q3041-L3044 PolarHBondContact O-N 2.93Å; L3044-C3047 PolarHBondContact O-N 2.76Å; L3044-M3048 HydrophobicContact CD1-CE 3.69Å; L3044-M3048 HydrophobicContact CD1-CG 3.89Å; L3044-M3048 HydrophobicContact CG-CG 4.31Å; L3044-M3048 WeakPolarHBondContact O-CB 3.38Å; L3044-M3048 VanDerWaalsContact O-CG 3.23Å; L3044-M3048 WeakPolarHBondContact O-CG 3.35Å; L3044-M3048 PolarHBondContact O-N 2.87Å; L3044-I3206 HydrophobicContact CB-CD1 4.45Å; L3044-I3206 HydrophobicContact CD1-CD1 3.87Å; L3044-I3206 HydrophobicContact CD1-CG1 4.06Å
3045	K	91.5	Very high	91.4	Very high	99 Å²	99	40.4 Å²	40.4	43%	0.43	21%	0.214	S	C	.	.	H	α-helix	trans	-59.7	-49.2	175.7	-57.7	177.4	-165.9	161.6	0	110.7	D3042 L3043 M3048 C3049	D3042-K3045 PolarHBondContact O-N 3.3Å; D3042-K3045 WeakPolarHBondContact OD1-CD 3.3Å; D3042-K3045 VanDerWaalsContact OD1-CE 3.27Å; D3042-K3045 WeakPolarHBondContact OD1-CE 3.46Å; D3042-K3045 IonicContact OD1-NZ 3.95Å; D3042-K3045 PolarHBondContact OD1-NZ 3Å; L3043-K3045 VanDerWaalsContact C-N 3.35Å; L3043-K3045 PolarHBondContact O-N 3.43Å; K3045-M3048 PolarHBondContact O-N 3.18Å; K3045-C3049 PolarHBondContact O-N 2.94Å; K3045-C3049 PolarHBondContact O-SG 3.31Å
3046	S	92.5	Very high	90.4	Very high	50 Å²	50	41.3 Å²	41.3	35%	0.35	22%	0.22	S	C	.	.	H	α-helix	trans	-61.5	-46.8	179.6	-53	0	0	0	0	111.7	D3042 L3043 M3048 C3049 V3050 Y3168	D3042-S3046 WeakPolarHBondContact O-CB 3.35Å; D3042-S3046 PolarHBondContact O-N 3.49Å; D3042-S3046 PolarHBondContact O-OG 2.91Å; L3043-S3046 PolarHBondContact O-N 3.48Å; S3046-M3048 PolarHBondContact O-N 2.87Å; S3046-C3049 PolarHBondContact O-N 2.84Å; S3046-V3050 PolarHBondContact O-N 2.89Å; S3046-V3050 VanDerWaalsContact O-N 3.11Å; S3046-Y3168 WeakPolarHBondContact CB-OH 3.4Å
3047	C	93.6	Very high	89	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.9	-44.4	175.6	-177	0	0	0	0	112.2	L3043 L3044 V3050 I3051 Y3168 I3206	L3043-C3047 WeakPolarHBondContact O-CB 3.42Å; L3043-C3047 PolarHBondContact O-N 2.91Å; L3044-C3047 PolarHBondContact O-N 2.76Å; C3047-V3050 PolarHBondContact O-N 2.97Å; C3047-I3051 VanDerWaalsContact O-CG1 3.32Å; C3047-I3051 WeakPolarHBondContact O-CG1 3.41Å; C3047-I3051 PolarHBondContact O-N 2.97Å; C3047-Y3168 HydrophobicContact CB-CD2 3.85Å; C3047-Y3168 HydrophobicContact CB-CE2 4.25Å; C3047-Y3168 HydrophobicContact CB-CG 4.1Å; C3047-I3206 HydrophobicContact CB-CG2 4.27Å
3048	M	91.8	Very high	87.5	Confident	6 Å²	6	47.1 Å²	47.1	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-71	-31.2	178.3	-69	-62.4	132.7	0	0	112.8	W3019 L3044 K3045 S3046 I3051 T3052 M3072 L3084 I3170	W3019-M3048 HydrophobicContact CZ2-SD 4.44Å; W3019-M3048 PolarHBondContact NE1-SD 3.18Å; W3019-M3048 VanDerWaalsContact NE1-SD 3.42Å; L3044-M3048 HydrophobicContact CD1-CE 3.69Å; L3044-M3048 HydrophobicContact CD1-CG 3.89Å; L3044-M3048 HydrophobicContact CG-CG 4.31Å; L3044-M3048 WeakPolarHBondContact O-CB 3.38Å; L3044-M3048 VanDerWaalsContact O-CG 3.23Å; L3044-M3048 WeakPolarHBondContact O-CG 3.35Å; L3044-M3048 PolarHBondContact O-N 2.87Å; K3045-M3048 PolarHBondContact O-N 3.18Å; S3046-M3048 PolarHBondContact O-N 2.87Å; M3048-I3051 HydrophobicContact CE-CD1 3.5Å; M3048-I3051 VanDerWaalsContact CE-CD1 3.5Å; M3048-I3051 HydrophobicContact SD-CD1 3.89Å; M3048-T3052 WeakPolarHBondContact O-CB 3.11Å; M3048-T3052 PolarHBondContact O-N 3.4Å; M3048-T3052 PolarHBondContact O-OG1 2.85Å; M3048-M3072 HydrophobicContact CB-CE 3.93Å; M3048-L3084 HydrophobicContact CE-CD1 3.77Å; M3048-L3084 HydrophobicContact CE-CD2 4.09Å; M3048-L3084 HydrophobicContact SD-CD1 4.39Å; M3048-L3084 HydrophobicContact SD-CD2 4.15Å; M3048-I3170 HydrophobicContact CE-CD1 3.83Å
3049	C	89.2	Confident	85.8	Confident	77 Å²	77	49 Å²	49	52%	0.52	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-48.2	171.5	-67.1	0	0	0	0	111.1	K3045 S3046 I3051 T3052 E3053	K3045-C3049 PolarHBondContact O-N 2.94Å; K3045-C3049 PolarHBondContact O-SG 3.31Å; S3046-C3049 PolarHBondContact O-N 2.84Å; C3049-I3051 PolarHBondContact O-N 3Å; C3049-T3052 PolarHBondContact O-N 2.87Å; C3049-T3052 VanDerWaalsContact O-N 3.14Å; C3049-E3053 WeakPolarHBondContact O-CB 3.36Å; C3049-E3053 PolarHBondContact O-N 2.86Å
3050	V	90	Very high	83.7	Confident	17 Å²	17	54.6 Å²	54.6	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-41.8	177.6	175.5	0	0	0	0	111.8	S3046 C3047 T3052 E3053 Q3054 V3158 C3159 L3167 Y3168	S3046-V3050 PolarHBondContact O-N 2.89Å; S3046-V3050 VanDerWaalsContact O-N 3.11Å; C3047-V3050 PolarHBondContact O-N 2.97Å; V3050-T3052 VanDerWaalsContact C-N 3.33Å; V3050-T3052 PolarHBondContact O-N 3.3Å; V3050-E3053 PolarHBondContact O-N 3.18Å; V3050-Q3054 WeakPolarHBondContact O-CB 3.45Å; V3050-Q3054 PolarHBondContact O-N 3.44Å; V3050-V3158 HydrophobicContact CB-CG1 4.01Å; V3050-V3158 HydrophobicContact CG1-CG1 3.67Å; V3050-C3159 WeakPolarHBondContact CG1-O 3.5Å; V3050-L3167 HydrophobicContact CG1-CD1 4.39Å; V3050-L3167 HydrophobicContact CG2-CD1 4.23Å; V3050-Y3168 HydrophobicContact CG2-CE2 4.32Å
3051	I	89.6	Confident	81.7	Confident	12 Å²	12	60.2 Å²	60.2	6%	0.062	33%	0.332	C	S	.	.	H	α-helix	trans	-60.8	-43.1	174.1	-69.9	163.2	0	0	0	111	C3047 M3048 C3049 Q3054 Q3055 L3084 V3158 I3170	C3047-I3051 VanDerWaalsContact O-CG1 3.32Å; C3047-I3051 WeakPolarHBondContact O-CG1 3.41Å; C3047-I3051 PolarHBondContact O-N 2.97Å; M3048-I3051 HydrophobicContact CE-CD1 3.5Å; M3048-I3051 VanDerWaalsContact CE-CD1 3.5Å; M3048-I3051 HydrophobicContact SD-CD1 3.89Å; C3049-I3051 PolarHBondContact O-N 3Å; I3051-Q3054 PolarHBondContact O-N 3.27Å; I3051-Q3055 HydrophobicContact CG2-CG 4.48Å; I3051-Q3055 VanDerWaalsContact CG2-NE2 3.26Å; I3051-Q3055 WeakPolarHBondContact O-CB 3.36Å; I3051-Q3055 VanDerWaalsContact O-CG 3.22Å; I3051-Q3055 WeakPolarHBondContact O-CG 3.39Å; I3051-Q3055 PolarHBondContact O-N 3.17Å; I3051-L3084 HydrophobicContact CD1-CD2 3.95Å; I3051-L3084 HydrophobicContact CG2-CD2 4.21Å; I3051-V3158 HydrophobicContact CD1-CG1 4.43Å; I3051-V3158 HydrophobicContact CD1-CG2 3.74Å; I3051-V3158 HydrophobicContact CG1-CB 4.45Å; I3051-V3158 HydrophobicContact CG1-CG1 3.78Å; I3051-V3158 HydrophobicContact CG1-CG2 3.81Å; I3051-I3170 HydrophobicContact CD1-CD1 4.23Å
3052	T	86.4	Confident	79.2	Confident	53 Å²	53	59.6 Å²	59.6	33%	0.325	34%	0.339	S	S	.	.	H	α-helix	trans	-66.6	-42.7	180	-54.3	0	0	0	0	111.2	M3048 C3049 V3050 Q3055 V3056	M3048-T3052 WeakPolarHBondContact O-CB 3.11Å; M3048-T3052 PolarHBondContact O-N 3.4Å; M3048-T3052 PolarHBondContact O-OG1 2.85Å; C3049-T3052 PolarHBondContact O-N 2.87Å; C3049-T3052 VanDerWaalsContact O-N 3.14Å; V3050-T3052 VanDerWaalsContact C-N 3.33Å; V3050-T3052 PolarHBondContact O-N 3.3Å; T3052-Q3055 PolarHBondContact O-N 3.49Å; T3052-V3056 WeakPolarHBondContact O-CG2 3.49Å; T3052-V3056 PolarHBondContact O-N 3.37Å
3053	E	84.2	Confident	76.6	Confident	104 Å²	104	62.4 Å²	62.4	49%	0.486	36%	0.36	S	S	.	.	H	α-helix	trans	-60.8	-46.9	175.1	-172.4	-176.8	176.7	0	0	111.6	C3049 V3050 Q3055 V3056 A3057 P3161	C3049-E3053 WeakPolarHBondContact O-CB 3.36Å; C3049-E3053 PolarHBondContact O-N 2.86Å; V3050-E3053 PolarHBondContact O-N 3.18Å; E3053-Q3055 VanDerWaalsContact C-N 3.31Å; E3053-Q3055 PolarHBondContact O-N 2.92Å; E3053-V3056 PolarHBondContact O-N 2.93Å; E3053-A3057 WeakPolarHBondContact O-CB 3.39Å; E3053-A3057 PolarHBondContact O-N 3.11Å; E3053-P3161 HydrophobicContact CG-CG 4.25Å
3054	Q	82.1	Confident	73.8	Confident	53 Å²	53	66.9 Å²	66.9	25%	0.248	39%	0.393	C	S	.	.	H	α-helix	trans	-60.8	-39.3	175.8	-171.3	-177.2	49.2	0	0	112	V3050 I3051 L3058	V3050-Q3054 WeakPolarHBondContact O-CB 3.45Å; V3050-Q3054 PolarHBondContact O-N 3.44Å; I3051-Q3054 PolarHBondContact O-N 3.27Å; Q3054-L3058 WeakPolarHBondContact O-CG 3.43Å; Q3054-L3058 PolarHBondContact O-N 2.75Å
3055	Q	78.3	Confident	71.2	Confident	48 Å²	48	72 Å²	72	22%	0.224	43%	0.429	C	S	.	.	H	α-helix	trans	-68.5	-40.7	176.7	-74.2	169.3	4.8	0	0	112.4	I3051 T3052 E3053 L3058 S3059	I3051-Q3055 HydrophobicContact CG2-CG 4.48Å; I3051-Q3055 VanDerWaalsContact CG2-NE2 3.26Å; I3051-Q3055 WeakPolarHBondContact O-CB 3.36Å; I3051-Q3055 VanDerWaalsContact O-CG 3.22Å; I3051-Q3055 WeakPolarHBondContact O-CG 3.39Å; I3051-Q3055 PolarHBondContact O-N 3.17Å; T3052-Q3055 PolarHBondContact O-N 3.49Å; E3053-Q3055 VanDerWaalsContact C-N 3.31Å; E3053-Q3055 PolarHBondContact O-N 2.92Å; Q3055-L3058 PolarHBondContact O-N 3.29Å; Q3055-S3059 WeakPolarHBondContact O-CB 3.25Å; Q3055-S3059 PolarHBondContact O-N 3.14Å; Q3055-S3059 PolarHBondContact O-OG 3.08Å
3056	V	73.1	Confident	68.6	Low	33 Å²	33	73.4 Å²	73.4	20%	0.2	45%	0.451	C	S	.	.	H	α-helix	trans	-64.9	-40.6	175	169.9	0	0	0	0	111.3	T3052 E3053 L3058 S3059 N3060 L3068	T3052-V3056 WeakPolarHBondContact O-CG2 3.49Å; T3052-V3056 PolarHBondContact O-N 3.37Å; E3053-V3056 PolarHBondContact O-N 2.93Å; V3056-L3058 PolarHBondContact O-N 2.91Å; V3056-S3059 WeakPolarHBondContact CA-OG 3.37Å; V3056-S3059 PolarHBondContact O-N 2.96Å; V3056-S3059 PolarHBondContact O-OG 2.69Å; V3056-N3060 WeakPolarHBondContact O-CB 3.33Å; V3056-N3060 PolarHBondContact O-N 2.85Å; V3056-N3060 PolarHBondContact O-ND2 2.89Å; V3056-L3068 HydrophobicContact CG1-CD1 3.99Å; V3056-L3068 HydrophobicContact CG2-CD1 3.75Å
3057	A	68.4	Low	66.4	Low	65 Å²	65	74.1 Å²	74.1	54%	0.537	46%	0.456	S	S	.	.	H	α-helix	trans	-60.3	-31.7	175.1	0	0	0	0	0	112.8	E3053	E3053-A3057 WeakPolarHBondContact O-CB 3.39Å; E3053-A3057 PolarHBondContact O-N 3.11Å
3058	L	63.7	Low	63.9	Low	127 Å²	127	79.8 Å²	79.8	67%	0.665	49%	0.485	S	S	*	.	H	α-helix	trans	-84.5	-38.8	176.2	-68.3	167.7	0	0	0	112.9	Q3054 Q3055 V3056	Q3054-L3058 WeakPolarHBondContact O-CG 3.43Å; Q3054-L3058 PolarHBondContact O-N 2.75Å; Q3055-L3058 PolarHBondContact O-N 3.29Å; V3056-L3058 PolarHBondContact O-N 2.91Å
3059	S	58.5	Low	61.3	Low	55 Å²	55	82.2 Å²	82.2	39%	0.385	51%	0.512	S	S	.	.	H	α-helix	trans	-76.9	-21	-176.9	68.1	0	0	0	0	113.7	Q3055 V3056 I3061 A3062	Q3055-S3059 WeakPolarHBondContact O-CB 3.25Å; Q3055-S3059 PolarHBondContact O-N 3.14Å; Q3055-S3059 PolarHBondContact O-OG 3.08Å; V3056-S3059 WeakPolarHBondContact CA-OG 3.37Å; V3056-S3059 PolarHBondContact O-N 2.96Å; V3056-S3059 PolarHBondContact O-OG 2.69Å; S3059-I3061 PolarHBondContact O-N 2.86Å; S3059-A3062 CarbonylContact O-C 3.52Å; S3059-A3062 PolarHBondContact O-N 2.85Å
3060	N	51.7	Low	58.8	Low	128 Å²	128	82.3 Å²	82.3	68%	0.684	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-5.2	177.2	-79.4	-23.4	0	0	0	115.1	V3056	V3056-N3060 WeakPolarHBondContact O-CB 3.33Å; V3056-N3060 PolarHBondContact O-N 2.85Å; V3056-N3060 PolarHBondContact O-ND2 2.89Å
3061	I	54	Low	56.2	Low	160 Å²	160	83.8 Å²	83.8	82%	0.821	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-18.4	170	-61.9	175	0	0	0	111.8	S3059	S3059-I3061 PolarHBondContact O-N 2.86Å
3062	A	42.8	Very low	53.9	Low	63 Å²	63	87 Å²	87	52%	0.521	54%	0.54	S	S	.	.	S	Bend	trans	-123	111	-175.9	0	0	0	0	0	112.1	S3059	S3059-A3062 CarbonylContact O-C 3.52Å; S3059-A3062 PolarHBondContact O-N 2.85Å
3063	T	39.5	Very low	51.7	Low	144 Å²	144	91.2 Å²	91.2	88%	0.883	57%	0.565	S	S	*	*			trans	58.6	106.5	175	51.6	0	0	0	0	116.5
3064	S	34.9	Very low	49.2	Very low	107 Å²	107	89.1 Å²	89.1	75%	0.748	57%	0.572	S	S	*	*			trans	-61.8	149.3	169.4	52	0	0	0	0	113.4
3065	S	38.7	Very low	46.8	Very low	112 Å²	112	94.5 Å²	94.5	78%	0.783	60%	0.603	S	S	*	*	S	Bend	trans	72.3	115.3	170	73.7	0	0	0	0	118.2
3066	S	38.2	Very low	44.7	Very low	128 Å²	128	95.3 Å²	95.3	90%	0.895	62%	0.617	S	S	*	*	S	Bend	trans	154.4	-28.3	134.4	54.7	0	0	0	0	114.4
3067	S	44.8	Very low	43.1	Very low	65 Å²	65	100.7 Å²	100.7	46%	0.455	64%	0.643	S	S	.	*			trans	-99.2	11.8	-158.4	84.1	0	0	0	0	117.6	G3069	S3067-G3069 PolarHBondContact O-N 3.15Å
3068	L	41.9	Very low	41.4	Very low	118 Å²	118	99 Å²	99	62%	0.618	63%	0.633	S	S	*	*			trans	-99	69.3	-169.4	-161.8	77.1	0	0	0	113.2	V3056	V3056-L3068 HydrophobicContact CG1-CD1 3.99Å; V3056-L3068 HydrophobicContact CG2-CD1 3.75Å
3069	G	36.8	Very low	40.4	Very low	57 Å²	57	95.5 Å²	95.5	59%	0.588	62%	0.617	S	S	*	*	S	Bend	trans	169.9	148.4	173	0	0	0	0	0	113.8	S3067	S3067-G3069 PolarHBondContact O-N 3.15Å
3070	S	36.4	Very low	40.1	Very low	80 Å²	80	98.1 Å²	98.1	56%	0.559	63%	0.633	S	S	*	*			trans	54.1	93.5	175.8	-155.3	0	0	0	0	116.8
3071	C	36.9	Very low	40.7	Very low	47 Å²	47	95.2 Å²	95.2	32%	0.318	62%	0.615	S	S	.	*			trans	-144.5	26.2	166.3	75.3	0	0	0	0	113.5
3072	M	41.4	Very low	42	Very low	81 Å²	81	92.2 Å²	92.2	40%	0.399	60%	0.597	S	S	.	*	S	Bend	trans	-142.2	131.1	172.2	-66.5	-67.8	163.8	0	0	108.3	M3048	M3048-M3072 HydrophobicContact CB-CE 3.93Å
3073	T	38.7	Very low	44.3	Very low	140 Å²	140	90.1 Å²	90.1	86%	0.859	58%	0.578	S	S	*	*	S	Bend	trans	68.5	130.9	-171.5	73.4	0	0	0	0	116.2
3074	G	32.8	Very low	46.9	Very low	60 Å²	60	83.6 Å²	83.6	62%	0.619	54%	0.538	S	S	*	.	S	Bend	trans	60.9	94.3	154.4	0	0	0	0	0	119.6	A3076	G3074-A3076 PolarHBondContact O-N 3.45Å; G3074-A3076 VanDerWaalsContact O-N 3.08Å
3075	D	32.1	Very low	49.8	Very low	167 Å²	167	84.8 Å²	84.8	89%	0.893	53%	0.526	S	S	*	.	S	Bend	trans	48.1	47.4	137.7	-51	-18.1	0	0	0	118.5
3076	A	34.4	Very low	52.6	Low	64 Å²	64	79.8 Å²	79.8	53%	0.529	49%	0.49	S	S	.	.			trans	-129.1	149.3	165.5	0	0	0	0	0	111.3	G3074 G3078	G3074-A3076 PolarHBondContact O-N 3.45Å; G3074-A3076 VanDerWaalsContact O-N 3.08Å; A3076-G3078 VanDerWaalsContact C-N 3.25Å; A3076-G3078 PolarHBondContact O-N 2.97Å
3077	I	37.6	Very low	55.2	Low	147 Å²	147	77.1 Å²	77.1	75%	0.754	47%	0.468	S	S	*	.			trans	-78.8	76	-179.7	-52.2	177.2	0	0	0	109.4	L3122	I3077-L3122 HydrophobicContact CD1-CD2 4.38Å
3078	G	34.5	Very low	57.7	Low	30 Å²	30	75.6 Å²	75.6	31%	0.309	45%	0.454	S	S	.	.			trans	-65.9	160.5	172.4	0	0	0	0	0	112.5	A3076	A3076-G3078 VanDerWaalsContact C-N 3.25Å; A3076-G3078 PolarHBondContact O-N 2.97Å
3079	P	42	Very low	60.3	Low	53 Å²	53	73 Å²	73	34%	0.344	44%	0.436	S	S	.	.			trans	-58.2	149.2	175.9	28.4	-37.6	0	0	0	111	H3081	P3079-H3081 PolarHBondContact O-N 3.4Å
3080	P	52	Low	63.2	Low	109 Å²	109	70.3 Å²	70.3	71%	0.708	41%	0.408	S	S	*	.			trans	-67.1	98.6	-171.6	27.2	-35.4	0	0	0	111.2	R3022 H3082	R3022-P3080 PolarHBondContact NH2-O 3.22Å; R3022-P3080 VanDerWaalsContact NH2-O 3.14Å; P3080-H3082 PolarHBondContact O-N 2.87Å; P3080-H3082 VanDerWaalsContact O-N 3.08Å
3081	H	63.6	Low	66.1	Low	67 Å²	67	70.8 Å²	70.8	31%	0.31	40%	0.398	S	S	.	.			trans	-33.7	116.4	179.9	-72.1	-85.7	0	0	0	110.9	R3022 P3079	R3022-H3081 PolarHBondContact NE-O 3.18Å; R3022-H3081 PolarHBondContact NH2-O 2.72Å; P3079-H3081 PolarHBondContact O-N 3.4Å
3082	H	82.9	Confident	69	Low	98 Å²	98	70.7 Å²	70.7	45%	0.454	39%	0.394	S	S	.	.			trans	-59.1	135.3	178.9	-178	-67.3	0	0	0	108.4	P3080 L3084	P3080-H3082 PolarHBondContact O-N 2.87Å; P3080-H3082 VanDerWaalsContact O-N 3.08Å; H3082-L3084 PolarHBondContact O-N 2.93Å
3083	P	90.3	Very high	71.6	Confident	18 Å²	18	70.6 Å²	70.6	12%	0.117	39%	0.393	C	S	.	.			trans	-61.1	143.3	-174.3	23.4	-33.8	0	0	0	112.1	R3022 S3024 E3029 R3085	R3022-P3083 HydrophobicContact CB-CB 3.91Å; R3022-P3083 CarbonylContact O-C 3.53Å; R3022-P3083 VanDerWaalsContact O-CA 3.27Å; R3022-P3083 WeakPolarHBondContact O-CA 3.26Å; S3024-P3083 WeakPolarHBondContact OG-CB 3.39Å; E3029-P3083 VanDerWaalsContact OE1-CB 3.26Å; E3029-P3083 WeakPolarHBondContact OE1-CB 3.43Å; E3029-P3083 VanDerWaalsContact OE1-CG 3.3Å; E3029-P3083 WeakPolarHBondContact OE1-CG 3.33Å; P3083-R3085 PolarHBondContact O-N 2.99Å
3084	L	94.4	Very high	74.3	Confident	7 Å²	7	68 Å²	68	4%	0.037	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	112.7	164	-58.6	-176	0	0	0	107.1	W3019 R3022 L3023 S3024 M3034 M3048 I3051 H3082 I3156	W3019-L3084 HydrophobicContact CH2-CD1 3.48Å; W3019-L3084 VanDerWaalsContact CH2-CD1 3.48Å; W3019-L3084 HydrophobicContact CH2-CG 3.78Å; W3019-L3084 HydrophobicContact CZ2-CD1 3.6Å; W3019-L3084 HydrophobicContact CZ2-CD2 4.41Å; W3019-L3084 HydrophobicContact CZ2-CG 3.79Å; W3019-L3084 HydrophobicContact CZ3-CD1 4.12Å; R3022-L3084 PolarHBondContact O-N 2.99Å; L3023-L3084 HydrophobicContact CD2-CB 3.89Å; L3023-L3084 HydrophobicContact CD2-CD1 4Å; L3023-L3084 HydrophobicContact CD2-CG 4.37Å; S3024-L3084 PolarHBondContact N-O 2.89Å; S3024-L3084 PolarHBondContact OG-O 3.49Å; M3034-L3084 HydrophobicContact CE-CD1 4.29Å; M3048-L3084 HydrophobicContact CE-CD1 3.77Å; M3048-L3084 HydrophobicContact CE-CD2 4.09Å; M3048-L3084 HydrophobicContact SD-CD1 4.39Å; M3048-L3084 HydrophobicContact SD-CD2 4.15Å; I3051-L3084 HydrophobicContact CD1-CD2 3.95Å; I3051-L3084 HydrophobicContact CG2-CD2 4.21Å; H3082-L3084 PolarHBondContact O-N 2.93Å; L3084-I3156 HydrophobicContact CB-CD1 3.7Å
3085	R	95.7	Very high	77.2	Confident	132 Å²	132	68.3 Å²	68.3	50%	0.498	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	114.2	-174.2	-55.4	-170.1	66.3	-162.9	-2.9	110.5	S3024 P3083 V3087	S3024-R3085 WeakPolarHBondContact OG-CA 3.39Å; S3024-R3085 WeakPolarHBondContact OG-CG 3.2Å; P3083-R3085 PolarHBondContact O-N 2.99Å; R3085-V3087 HydrophobicContact CB-CG1 4.01Å; R3085-V3087 PolarHBondContact O-N 2.87Å; R3085-V3087 VanDerWaalsContact O-N 3.13Å
3086	I	97	Very high	80.3	Confident	7 Å²	7	60.4 Å²	60.4	4%	0.036	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	96.4	171.5	-54.3	179	0	0	0	108	S3024 L3025 F3143 I3156 I3172	S3024-I3086 PolarHBondContact O-N 3.03Å; L3025-I3086 HydrophobicContact CB-CB 4.43Å; L3025-I3086 HydrophobicContact CB-CD1 4.49Å; L3025-I3086 HydrophobicContact CD1-CB 3.93Å; L3025-I3086 HydrophobicContact CD1-CG2 3.9Å; I3086-F3143 HydrophobicContact CD1-CD1 4.06Å; I3086-F3143 HydrophobicContact CD1-CE1 4.04Å; I3086-I3156 HydrophobicContact CG1-CD1 4.17Å; I3086-I3156 HydrophobicContact CG1-CG1 4.33Å; I3086-I3172 HydrophobicContact CD1-CD1 3.76Å; I3086-I3172 HydrophobicContact CG1-CD1 3.99Å
3087	V	93.3	Very high	83.3	Confident	72 Å²	72	58.9 Å²	58.9	44%	0.436	32%	0.318	S	S	.	.			trans	-105.2	-16.6	-176.3	-69.4	0	0	0	0	113.5	I2251 E2252 R3085	I2251-V3087 WeakPolarHBondContact CA-O 3.22Å; E2252-V3087 PolarHBondContact N-O 2.83Å; R3085-V3087 HydrophobicContact CB-CG1 4.01Å; R3085-V3087 PolarHBondContact O-N 2.87Å; R3085-V3087 VanDerWaalsContact O-N 3.13Å
3088	Q	96.8	Very high	86	Confident	33 Å²	33	56 Å²	56	15%	0.154	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	165.2	177.5	-65	-167.4	-24.1	0	0	111.2	E2252 V2254 I3155 N3157	E2252-Q3088 HydrophobicContact CB-CG 4.14Å; E2252-Q3088 CarbonylContact O-C 3.57Å; E2252-Q3088 WeakPolarHBondContact O-CA 3.42Å; E2252-Q3088 PolarHBondContact OE2-NE2 3.27Å; V2254-Q3088 HydrophobicContact CG2-CB 4.16Å; V2254-Q3088 VanDerWaalsContact CG2-OE1 3.28Å; Q3088-I3155 HydrophobicContact CB-CB 3.85Å; Q3088-I3155 HydrophobicContact CB-CG2 3.98Å; Q3088-I3155 PolarHBondContact N-O 2.88Å; Q3088-I3155 PolarHBondContact O-N 3.48Å; Q3088-N3157 PolarHBondContact OE1-ND2 3.3Å
3089	R	97.1	Very high	88.9	Confident	65 Å²	65	55.8 Å²	55.8	25%	0.245	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.9	172.7	73.3	-178.5	-177.5	-132.1	-0	112	I2251 E2252 E2253 V2254 A3152 A3153	I2251-R3089 HydrophobicContact CG2-CB 3.92Å; I2251-R3089 HydrophobicContact CG2-CG 4.08Å; E2252-R3089 PolarHBondContact O-N 2.89Å; E2253-R3089 HydrophobicContact CB-CG 4.39Å; E2253-R3089 HydrophobicContact CG-CG 4.41Å; E2253-R3089 IonicContact OE2-CZ 3.18Å; E2253-R3089 IonicContact OE2-NE 2.7Å; E2253-R3089 PolarHBondContact OE2-NE 2.83Å; E2253-R3089 IonicContact OE2-NH2 3.63Å; E2253-R3089 PolarHBondContact OE2-NH2 3.27Å; V2254-R3089 PolarHBondContact N-O 3.05Å; R3089-A3152 HydrophobicContact CB-CB 4.04Å; R3089-A3152 HydrophobicContact CG-CB 4.3Å; R3089-A3153 CarbonylContact C-O 3.59Å; R3089-A3153 VanDerWaalsContact CA-O 3.27Å; R3089-A3153 WeakPolarHBondContact CA-O 3.34Å
3090	M	97.9	Very high	91.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.9	169.6	-179.5	-169.1	77.3	0	0	108.2	Y2256 Q3096 L3097 V3100 A3152 A3153 I3155 F3173	Y2256-M3090 HydrophobicContact CD2-SD 4.19Å; Y2256-M3090 HydrophobicContact CE2-SD 4.05Å; M3090-Q3096 HydrophobicContact CE-CB 4.25Å; M3090-Q3096 HydrophobicContact CG-CB 3.79Å; M3090-Q3096 HydrophobicContact CG-CG 4.18Å; M3090-Q3096 HydrophobicContact SD-CB 3.86Å; M3090-L3097 HydrophobicContact CE-CD2 4.39Å; M3090-V3100 HydrophobicContact CE-CG2 3.96Å; M3090-V3100 HydrophobicContact SD-CG2 4.11Å; M3090-A3152 CarbonylContact O-C 3.5Å; M3090-A3152 VanDerWaalsContact O-CA 3.24Å; M3090-A3152 WeakPolarHBondContact O-CA 3.45Å; M3090-A3152 WeakPolarHBondContact O-CB 3.12Å; M3090-A3153 HydrophobicContact CE-CB 4.4Å; M3090-A3153 PolarHBondContact N-O 3.17Å; M3090-A3153 PolarHBondContact O-N 3.27Å; M3090-I3155 HydrophobicContact CB-CD1 3.71Å; M3090-I3155 HydrophobicContact CB-CG1 3.62Å; M3090-F3173 HydrophobicContact CE-CE1 3.93Å; M3090-F3173 HydrophobicContact CE-CZ 3.99Å
3091	R	97.6	Very high	93.6	Very high	90 Å²	90	51 Å²	51	34%	0.34	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	146.7	177.5	-60.4	-173.8	-176.8	177	5.6	111	E2253 E3093 Q3096	E2253-R3091 HydrophobicContact CG-CG 4.39Å; E2253-R3091 IonicContact OE1-CZ 3.15Å; E2253-R3091 IonicContact OE1-NE 3.1Å; E2253-R3091 PolarHBondContact OE1-NE 2.94Å; E2253-R3091 IonicContact OE1-NH2 3.67Å; E2253-R3091 PolarHBondContact OE1-NH2 2.97Å; E2253-R3091 IonicContact OE2-NE 3.41Å; R3091-E3093 HydrophobicContact CB-CB 4.34Å; R3091-E3093 HydrophobicContact CB-CG 3.92Å; R3091-E3093 VanDerWaalsContact CD-CD 3.41Å; R3091-E3093 WeakPolarHBondContact CD-OE1 3.5Å; R3091-E3093 IonicContact CZ-OE1 2.72Å; R3091-E3093 IonicContact NE-OE1 2.73Å; R3091-E3093 IonicContact NH1-OE1 3.71Å; R3091-E3093 PolarHBondContact NH1-OE1 3.3Å; R3091-E3093 IonicContact NH1-OE2 3.27Å; R3091-E3093 PolarHBondContact O-N 3.44Å; R3091-Q3096 WeakPolarHBondContact O-CB 3.49Å
3092	L	97.4	Very high	95	Very high	44 Å²	44	53.6 Å²	53.6	23%	0.23	27%	0.27	C	S	.	.			trans	-78.9	41.8	172.5	-58.8	175.8	0	0	0	111.7	L3097 G3151 A3153 F3173 P3174 C3176	L3092-L3097 HydrophobicContact CB-CD1 4.48Å; L3092-L3097 HydrophobicContact CD2-CD2 4.06Å; L3092-G3151 WeakPolarHBondContact CB-O 3.25Å; L3092-G3151 WeakPolarHBondContact CG-O 3.38Å; L3092-G3151 PolarHBondContact N-O 3.03Å; L3092-A3153 HydrophobicContact CD2-CB 4.11Å; L3092-F3173 HydrophobicContact CD2-CD1 3.69Å; L3092-F3173 HydrophobicContact CD2-CE1 3.9Å; L3092-P3174 HydrophobicContact CD1-CG 4.36Å; L3092-C3176 HydrophobicContact CD1-CB 4.06Å
3093	E	96.4	Very high	95.6	Very high	80 Å²	80	51.5 Å²	51.5	37%	0.374	26%	0.26	S	S	.	.			trans	-86.7	150.7	177.1	-74.4	174.5	-177.6	0	0	110.9	R3091 S3095 Q3096 L3097	R3091-E3093 HydrophobicContact CB-CB 4.34Å; R3091-E3093 HydrophobicContact CB-CG 3.92Å; R3091-E3093 VanDerWaalsContact CD-CD 3.41Å; R3091-E3093 WeakPolarHBondContact CD-OE1 3.5Å; R3091-E3093 IonicContact CZ-OE1 2.72Å; R3091-E3093 IonicContact NE-OE1 2.73Å; R3091-E3093 IonicContact NH1-OE1 3.71Å; R3091-E3093 PolarHBondContact NH1-OE1 3.3Å; R3091-E3093 IonicContact NH1-OE2 3.27Å; R3091-E3093 PolarHBondContact O-N 3.44Å; E3093-S3095 VanDerWaalsContact C-N 3.3Å; E3093-S3095 PolarHBondContact O-N 3.17Å; E3093-Q3096 HydrophobicContact CB-CG 4.12Å; E3093-Q3096 WeakPolarHBondContact O-CB 3.49Å; E3093-Q3096 PolarHBondContact O-N 3.14Å; E3093-Q3096 VanDerWaalsContact O-N 3.08Å; E3093-L3097 WeakPolarHBondContact O-CG 3.37Å; E3093-L3097 PolarHBondContact O-N 3.2Å
3094	A	94.6	Very high	95.9	Very high	84 Å²	84	51.5 Å²	51.5	69%	0.694	26%	0.258	S	S	*	.	H	α-helix	trans	-56.9	-38.5	-172	0	0	0	0	0	113.9	E3098	A3094-E3098 WeakPolarHBondContact O-CB 3.36Å; A3094-E3098 PolarHBondContact O-N 2.95Å
3095	S	94.6	Very high	95.8	Very high	67 Å²	67	59.1 Å²	59.1	47%	0.469	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-42.6	177	51.7	0	0	0	0	112.7	E3093 E3098 G3099	E3093-S3095 VanDerWaalsContact C-N 3.3Å; E3093-S3095 PolarHBondContact O-N 3.17Å; S3095-E3098 PolarHBondContact O-N 3.26Å; S3095-G3099 PolarHBondContact O-N 3.01Å
3096	Q	95.8	Very high	95.7	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.009	29%	0.285	C	S	.	.	H	α-helix	trans	-66.8	-46.9	178.8	-50.8	-54	-66.3	0	0	110.5	Y2256 M3090 R3091 E3093 E3098 G3099 V3100	Y2256-Q3096 PolarHBondContact O-NE2 3.39Å; M3090-Q3096 HydrophobicContact CE-CB 4.25Å; M3090-Q3096 HydrophobicContact CG-CB 3.79Å; M3090-Q3096 HydrophobicContact CG-CG 4.18Å; M3090-Q3096 HydrophobicContact SD-CB 3.86Å; R3091-Q3096 WeakPolarHBondContact O-CB 3.49Å; E3093-Q3096 HydrophobicContact CB-CG 4.12Å; E3093-Q3096 WeakPolarHBondContact O-CB 3.49Å; E3093-Q3096 PolarHBondContact O-N 3.14Å; E3093-Q3096 VanDerWaalsContact O-N 3.08Å; Q3096-E3098 VanDerWaalsContact C-N 3.35Å; Q3096-E3098 PolarHBondContact O-N 3.46Å; Q3096-G3099 PolarHBondContact O-N 2.86Å; Q3096-V3100 PolarHBondContact O-N 3.32Å
3097	L	97.1	Very high	95.5	Very high	32 Å²	32	62 Å²	62	17%	0.168	31%	0.308	C	S	.	.	H	α-helix	trans	-65.7	-34.6	178.1	-65	176.6	0	0	0	112.3	M3090 L3092 E3093 G3099 V3100 Q3101 F3173 F3178	M3090-L3097 HydrophobicContact CE-CD2 4.39Å; L3092-L3097 HydrophobicContact CB-CD1 4.48Å; L3092-L3097 HydrophobicContact CD2-CD2 4.06Å; E3093-L3097 WeakPolarHBondContact O-CG 3.37Å; E3093-L3097 PolarHBondContact O-N 3.2Å; L3097-G3099 VanDerWaalsContact C-N 3.34Å; L3097-V3100 PolarHBondContact O-N 3.22Å; L3097-Q3101 WeakPolarHBondContact O-CB 3.37Å; L3097-Q3101 PolarHBondContact O-N 3.02Å; L3097-F3173 HydrophobicContact CD2-CE1 3.7Å; L3097-F3173 HydrophobicContact CD2-CZ 4.46Å; L3097-F3178 HydrophobicContact CB-CD2 4.35Å; L3097-F3178 HydrophobicContact CD1-CB 4.26Å; L3097-F3178 HydrophobicContact CD2-CB 4.05Å; L3097-F3178 HydrophobicContact CD2-CD1 4.19Å; L3097-F3178 HydrophobicContact CD2-CD2 4.08Å; L3097-F3178 HydrophobicContact CD2-CG 3.85Å
3098	E	96.2	Very high	95.5	Very high	87 Å²	87	64 Å²	64	41%	0.407	32%	0.316	S	S	.	.	H	α-helix	trans	-67	-36.5	175	-155.5	-126.7	129.5	0	0	111.7	A3094 S3095 Q3096 Q3101 R3102	A3094-E3098 WeakPolarHBondContact O-CB 3.36Å; A3094-E3098 PolarHBondContact O-N 2.95Å; S3095-E3098 PolarHBondContact O-N 3.26Å; Q3096-E3098 VanDerWaalsContact C-N 3.35Å; Q3096-E3098 PolarHBondContact O-N 3.46Å; E3098-Q3101 PolarHBondContact O-N 2.85Å; E3098-R3102 VanDerWaalsContact O-CB 3.31Å; E3098-R3102 WeakPolarHBondContact O-CB 3.25Å; E3098-R3102 PolarHBondContact O-N 2.81Å; E3098-R3102 IonicContact OE1-CZ 3.41Å; E3098-R3102 IonicContact OE1-NE 3.62Å; E3098-R3102 PolarHBondContact OE1-NE 3.2Å; E3098-R3102 IonicContact OE1-NH2 2.69Å; E3098-R3102 PolarHBondContact OE1-NH2 2.87Å; E3098-R3102 IonicContact OE2-NH2 2.59Å; E3098-R3102 PolarHBondContact OE2-NH2 2.84Å; E3098-R3102 VanDerWaalsContact OE2-NH2 3.1Å
3099	G	93.7	Very high	95.4	Very high	24 Å²	24	64.6 Å²	64.6	25%	0.247	32%	0.32	C	S	.	.	H	α-helix	trans	-57.6	-47.8	172.4	0	0	0	0	0	112.8	S3095 Q3096 L3097 R3102 K3103	S3095-G3099 PolarHBondContact O-N 3.01Å; Q3096-G3099 PolarHBondContact O-N 2.86Å; L3097-G3099 VanDerWaalsContact C-N 3.34Å; G3099-R3102 WeakPolarHBondContact O-CB 3.28Å; G3099-R3102 PolarHBondContact O-N 2.83Å; G3099-K3103 PolarHBondContact O-N 3.2Å
3100	V	96.6	Very high	95.4	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.024	31%	0.31	C	S	.	.	H	α-helix	trans	-67	-44.6	175	-177.1	0	0	0	0	111	M3090 Q3096 L3097 R3102 K3103 L3104 F3173 F3178 V3205	M3090-V3100 HydrophobicContact CE-CG2 3.96Å; M3090-V3100 HydrophobicContact SD-CG2 4.11Å; Q3096-V3100 PolarHBondContact O-N 3.32Å; L3097-V3100 PolarHBondContact O-N 3.22Å; V3100-R3102 PolarHBondContact O-N 3.06Å; V3100-K3103 PolarHBondContact O-N 2.74Å; V3100-K3103 VanDerWaalsContact O-N 3.1Å; V3100-L3104 HydrophobicContact CG1-CG 4.44Å; V3100-L3104 WeakPolarHBondContact O-CG 3.45Å; V3100-L3104 PolarHBondContact O-N 3.39Å; V3100-F3173 HydrophobicContact CG1-CE2 4.38Å; V3100-F3173 HydrophobicContact CG1-CZ 4.17Å; V3100-F3173 HydrophobicContact CG2-CZ 4.35Å; V3100-F3178 HydrophobicContact CB-CZ 4.3Å; V3100-F3178 HydrophobicContact CG1-CE1 4.33Å; V3100-F3178 HydrophobicContact CG1-CZ 3.93Å; V3100-V3205 HydrophobicContact CG1-CG1 4.47Å
3101	Q	95.7	Very high	95.4	Very high	57 Å²	57	61.9 Å²	61.9	27%	0.266	31%	0.31	S	S	.	.	H	α-helix	trans	-59.4	-31.3	177.8	-176.4	60.8	89.3	0	0	112.7	L3097 E3098 L3104 R3105 F3178	L3097-Q3101 WeakPolarHBondContact O-CB 3.37Å; L3097-Q3101 PolarHBondContact O-N 3.02Å; E3098-Q3101 PolarHBondContact O-N 2.85Å; Q3101-L3104 PolarHBondContact O-N 3.02Å; Q3101-R3105 PolarHBondContact O-N 3.49Å; Q3101-F3178 HydrophobicContact CB-CE2 4.3Å
3102	R	94.9	Very high	95.4	Very high	123 Å²	123	57.7 Å²	57.7	46%	0.464	29%	0.294	S	S	.	.	H	α-helix	trans	-66.6	-44.9	175.9	-160.1	177.7	-59.4	143.9	-2.2	110.9	E3098 G3099 V3100 R3105	E3098-R3102 VanDerWaalsContact O-CB 3.31Å; E3098-R3102 WeakPolarHBondContact O-CB 3.25Å; E3098-R3102 PolarHBondContact O-N 2.81Å; E3098-R3102 IonicContact OE1-CZ 3.41Å; E3098-R3102 IonicContact OE1-NE 3.62Å; E3098-R3102 PolarHBondContact OE1-NE 3.2Å; E3098-R3102 IonicContact OE1-NH2 2.69Å; E3098-R3102 PolarHBondContact OE1-NH2 2.87Å; E3098-R3102 IonicContact OE2-NH2 2.59Å; E3098-R3102 PolarHBondContact OE2-NH2 2.84Å; E3098-R3102 VanDerWaalsContact OE2-NH2 3.1Å; G3099-R3102 WeakPolarHBondContact O-CB 3.28Å; G3099-R3102 PolarHBondContact O-N 2.83Å; V3100-R3102 PolarHBondContact O-N 3.06Å; R3102-R3105 WeakPolarHBondContact O-CB 3.2Å; R3102-R3105 PolarHBondContact O-N 3.21Å
3103	K	94.6	Very high	95.4	Very high	54 Å²	54	55.6 Å²	55.6	24%	0.235	28%	0.283	C	S	.	.	H	α-helix	trans	-66.9	-35.9	174.4	-63	-167.1	173.7	-173	0	112.5	G3099 V3100 R3105 Q3106 T3207 T3208 V3209	G3099-K3103 PolarHBondContact O-N 3.2Å; V3100-K3103 PolarHBondContact O-N 2.74Å; V3100-K3103 VanDerWaalsContact O-N 3.1Å; K3103-R3105 PolarHBondContact O-N 3.2Å; K3103-Q3106 PolarHBondContact O-N 3.13Å; K3103-T3207 HydrophobicContact CB-CG2 4.02Å; K3103-T3207 HydrophobicContact CD-CG2 4.14Å; K3103-T3208 WeakPolarHBondContact CD-O 3.22Å; K3103-T3208 PolarHBondContact NZ-O 3.48Å; K3103-V3209 PolarHBondContact NZ-OXT 3.01Å
3104	L	95.9	Very high	95.5	Very high	17 Å²	17	51.8 Å²	51.8	9%	0.089	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-10.9	172.1	-69	-176.4	0	0	0	114.8	V3100 Q3101 F3110 M3112 F3178 Q3182 V3205	V3100-L3104 HydrophobicContact CG1-CG 4.44Å; V3100-L3104 WeakPolarHBondContact O-CG 3.45Å; V3100-L3104 PolarHBondContact O-N 3.39Å; Q3101-L3104 PolarHBondContact O-N 3.02Å; L3104-F3110 HydrophobicContact CD2-CB 3.99Å; L3104-F3110 HydrophobicContact CD2-CD1 4.03Å; L3104-F3110 HydrophobicContact CD2-CD2 3.36Å; L3104-F3110 HydrophobicContact CD2-CE1 4.35Å; L3104-F3110 HydrophobicContact CD2-CE2 3.75Å; L3104-F3110 HydrophobicContact CD2-CG 3.52Å; L3104-F3110 HydrophobicContact CD2-CZ 4.22Å; L3104-F3110 WeakPolarHBondContact O-CE1 3.37Å; L3104-M3112 HydrophobicContact CD1-CE 3.93Å; L3104-M3112 HydrophobicContact CD2-CE 3.67Å; L3104-M3112 HydrophobicContact CG-CE 4.45Å; L3104-F3178 HydrophobicContact CD1-CE1 4.45Å; L3104-F3178 HydrophobicContact CD1-CE2 4.45Å; L3104-F3178 HydrophobicContact CD1-CZ 3.69Å; L3104-Q3182 HydrophobicContact CD1-CG 3.91Å; L3104-V3205 HydrophobicContact CD2-CG1 3.7Å
3105	R	94.2	Very high	95.6	Very high	167 Å²	167	47.8 Å²	47.8	63%	0.63	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-15.7	172.5	-63.5	169.8	-172.6	151	5.5	113	Q3101 R3102 K3103	Q3101-R3105 PolarHBondContact O-N 3.49Å; R3102-R3105 WeakPolarHBondContact O-CB 3.2Å; R3102-R3105 PolarHBondContact O-N 3.21Å; K3103-R3105 PolarHBondContact O-N 3.2Å
3106	Q	93.5	Very high	95.6	Very high	101 Å²	101	45.3 Å²	45.3	47%	0.472	21%	0.214	S	C	.	.			trans	-108.6	97.5	-175.6	-70.7	167.6	-117.8	0	0	109.7	K3103 N3108 D3109 F3110	K3103-Q3106 PolarHBondContact O-N 3.13Å; Q3106-N3108 PolarHBondContact O-N 2.78Å; Q3106-D3109 HydrophobicContact CB-CB 3.84Å; Q3106-D3109 VanDerWaalsContact CB-OD2 3.31Å; Q3106-D3109 WeakPolarHBondContact CB-OD2 3.32Å; Q3106-D3109 PolarHBondContact NE2-OD2 3.47Å; Q3106-D3109 PolarHBondContact O-N 3.06Å; Q3106-F3110 VanDerWaalsContact O-CD1 3.3Å; Q3106-F3110 WeakPolarHBondContact O-CD1 3.4Å
3107	I	90.9	Very high	95.7	Very high	100 Å²	100	45.6 Å²	45.6	51%	0.513	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-27	-171.2	-163.1	72.1	0	0	0	114.6	G3039 N3040 F3110	G3039-I3107 CarbonylContact C-O 3.54Å; N3040-I3107 WeakPolarHBondContact CB-O 3.43Å; N3040-I3107 PolarHBondContact N-O 3.07Å; I3107-F3110 HydrophobicContact CD1-CE1 4.24Å; I3107-F3110 HydrophobicContact CD1-CZ 4.13Å
3108	N	94.3	Very high	95.5	Very high	113 Å²	113	44.9 Å²	44.9	60%	0.604	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-16.2	-179.8	-66.4	-22.8	0	0	0	114.2	N3040 L3043 Q3106	N3040-N3108 PolarHBondContact ND2-O 2.94Å; L3043-N3108 WeakPolarHBondContact CD1-O 3.27Å; Q3106-N3108 PolarHBondContact O-N 2.78Å
3109	D	95.6	Very high	95.2	Very high	46 Å²	46	41.3 Å²	41.3	25%	0.246	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-3.5	-169.7	-73.3	-63	0	0	0	113.7	Q3106 T3207 T3208	Q3106-D3109 HydrophobicContact CB-CB 3.84Å; Q3106-D3109 VanDerWaalsContact CB-OD2 3.31Å; Q3106-D3109 WeakPolarHBondContact CB-OD2 3.32Å; Q3106-D3109 PolarHBondContact NE2-OD2 3.47Å; Q3106-D3109 PolarHBondContact O-N 3.06Å; D3109-T3207 CarbonylContact O-C 3.57Å; D3109-T3207 WeakPolarHBondContact O-CA 3.41Å; D3109-T3208 VanDerWaalsContact CB-OG1 3.29Å; D3109-T3208 WeakPolarHBondContact CB-OG1 3.18Å; D3109-T3208 PolarHBondContact O-N 3.07Å; D3109-T3208 PolarHBondContact O-OG1 2.88Å; D3109-T3208 PolarHBondContact OD1-OG1 3.31Å
3110	F	97.3	Very high	95	Very high	8 Å²	8	42 Å²	42	4%	0.035	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	157.1	173.1	80.8	-88.7	0	0	0	113.2	G3039 N3040 L3043 L3104 Q3106 I3107 M3112 V3205 I3206 T3207	G3039-F3110 CarbonylContact C-O 3.6Å; G3039-F3110 VanDerWaalsContact CA-O 3.3Å; G3039-F3110 WeakPolarHBondContact CA-O 3.38Å; N3040-F3110 PolarHBondContact N-O 2.78Å; L3043-F3110 VanDerWaalsContact CD1-C 3.45Å; L3104-F3110 HydrophobicContact CD2-CB 3.99Å; L3104-F3110 HydrophobicContact CD2-CD1 4.03Å; L3104-F3110 HydrophobicContact CD2-CD2 3.36Å; L3104-F3110 HydrophobicContact CD2-CE1 4.35Å; L3104-F3110 HydrophobicContact CD2-CE2 3.75Å; L3104-F3110 HydrophobicContact CD2-CG 3.52Å; L3104-F3110 HydrophobicContact CD2-CZ 4.22Å; L3104-F3110 WeakPolarHBondContact O-CE1 3.37Å; Q3106-F3110 VanDerWaalsContact O-CD1 3.3Å; Q3106-F3110 WeakPolarHBondContact O-CD1 3.4Å; I3107-F3110 HydrophobicContact CD1-CE1 4.24Å; I3107-F3110 HydrophobicContact CD1-CZ 4.13Å; F3110-M3112 HydrophobicContact CD2-CB 4.15Å; F3110-M3112 HydrophobicContact CE2-CB 3.99Å; F3110-M3112 HydrophobicContact CE2-CE 4.27Å; F3110-V3205 HydrophobicContact CB-CG1 4.43Å; F3110-I3206 CarbonylContact C-O 3.6Å; F3110-I3206 WeakPolarHBondContact CA-O 3.27Å; F3110-T3207 HydrophobicContact CB-CG2 4.27Å
3111	C	97.4	Very high	94.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.8	165.2	-172.3	0	0	0	0	108.6	N3040 L3043 V3205 I3206	N3040-C3111 VanDerWaalsContact O-CB 3.31Å; N3040-C3111 WeakPolarHBondContact O-CB 3.42Å; L3043-C3111 HydrophobicContact CB-CB 4.21Å; C3111-V3205 CarbonylContact O-C 3.59Å; C3111-V3205 WeakPolarHBondContact O-CA 3.32Å; C3111-I3206 HydrophobicContact CB-CB 4.3Å; C3111-I3206 HydrophobicContact CB-CD1 4.15Å; C3111-I3206 PolarHBondContact N-O 3.23Å; C3111-I3206 PolarHBondContact O-N 2.79Å
3112	M	97.8	Very high	93.4	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.9	-178.2	-173.3	-179.1	-61	0	0	110	V3037 S3038 L3104 F3110 Q3182 L3203 T3204 V3205	V3037-M3112 HydrophobicContact CB-CG 4.36Å; V3037-M3112 HydrophobicContact CG1-SD 4.31Å; V3037-M3112 PolarHBondContact N-O 2.91Å; S3038-M3112 PolarHBondContact N-O 3.24Å; S3038-M3112 PolarHBondContact O-N 3.11Å; S3038-M3112 WeakPolarHBondContact OG-CB 3.38Å; L3104-M3112 HydrophobicContact CD1-CE 3.93Å; L3104-M3112 HydrophobicContact CD2-CE 3.67Å; L3104-M3112 HydrophobicContact CG-CE 4.45Å; F3110-M3112 HydrophobicContact CD2-CB 4.15Å; F3110-M3112 HydrophobicContact CE2-CB 3.99Å; F3110-M3112 HydrophobicContact CE2-CE 4.27Å; M3112-Q3182 HydrophobicContact CE-CB 3.89Å; M3112-Q3182 HydrophobicContact CE-CG 4.09Å; M3112-Q3182 HydrophobicContact SD-CB 4.07Å; M3112-L3203 HydrophobicContact CG-CD1 3.73Å; M3112-L3203 HydrophobicContact CG-CG 4.34Å; M3112-L3203 HydrophobicContact SD-CD1 4.06Å; M3112-L3203 HydrophobicContact SD-CD2 4.33Å; M3112-T3204 WeakPolarHBondContact CA-O 3.4Å; M3112-V3205 HydrophobicContact CG-CG2 4.3Å
3113	C	97.1	Very high	92.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	134.4	-178.2	-58.2	0	0	0	0	111.9	M3034 H3035 T3204	M3034-C3113 HydrophobicContact CB-CB 4.07Å; H3035-C3113 CarbonylContact O-C 3.59Å; H3035-C3113 WeakPolarHBondContact O-CA 3.4Å; H3035-C3113 WeakPolarHBondContact O-CB 3.33Å; C3113-T3204 PolarHBondContact N-O 2.9Å; C3113-T3204 PolarHBondContact O-N 3.39Å
3114	L	97.1	Very high	91.8	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	123.6	165.8	-174.9	66.8	0	0	0	108.6	H3035 V3037 L3116 L3183 L3190 L3194 H3201	H3035-L3114 HydrophobicContact CB-CB 4.49Å; H3035-L3114 PolarHBondContact N-O 3.44Å; H3035-L3114 PolarHBondContact O-N 2.94Å; V3037-L3114 HydrophobicContact CG2-CB 3.94Å; L3114-L3116 HydrophobicContact CD2-CD1 4.45Å; L3114-L3116 HydrophobicContact CD2-CD2 4.15Å; L3114-L3116 HydrophobicContact CD2-CG 4.44Å; L3114-L3116 HydrophobicContact CG-CD2 4.12Å; L3114-L3116 HydrophobicContact CG-CG 4.33Å; L3114-L3183 HydrophobicContact CD1-CD1 4.23Å; L3114-L3183 HydrophobicContact CD1-CD2 4.44Å; L3114-L3190 HydrophobicContact CD2-CD1 3.96Å; L3114-L3190 HydrophobicContact CD2-CD2 3.9Å; L3114-L3190 HydrophobicContact CD2-CG 4.09Å; L3114-L3194 HydrophobicContact CD1-CD2 3.89Å; L3114-L3194 HydrophobicContact CD2-CD1 4.03Å; L3114-L3194 HydrophobicContact CD2-CD2 3.98Å; L3114-H3201 HydrophobicContact CD1-CB 3.81Å
3115	T	97	Very high	91	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.2	-176.1	-48.3	0	0	0	0	109.9	L3023 V3032 N3033 M3034 H3201 V3202 T3204	L3023-T3115 HydrophobicContact CD1-CG2 4.2Å; V3032-T3115 HydrophobicContact CB-CG2 3.79Å; V3032-T3115 HydrophobicContact CG1-CG2 4.2Å; V3032-T3115 HydrophobicContact CG2-CG2 3.67Å; N3033-T3115 WeakPolarHBondContact O-CA 3.41Å; M3034-T3115 HydrophobicContact CE-CG2 4.38Å; M3034-T3115 HydrophobicContact CG-CG2 3.94Å; T3115-H3201 WeakPolarHBondContact O-CA 3.43Å; T3115-V3202 WeakPolarHBondContact CB-O 3.33Å; T3115-V3202 HydrophobicContact CG2-CG2 4.1Å; T3115-V3202 PolarHBondContact N-O 3.41Å; T3115-V3202 PolarHBondContact O-N 3.41Å; T3115-T3204 WeakPolarHBondContact OG1-CB 3.24Å; T3115-T3204 PolarHBondContact OG1-OG1 2.79Å
3116	L	96.1	Very high	90.2	Very high	15 Å²	15	52.2 Å²	52.2	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.9	-174.1	-58.4	177.4	0	0	0	109.9	I3012 V3032 N3033 L3114 L3194 I3199 H3201	I3012-L3116 HydrophobicContact CD1-CD1 3.88Å; I3012-L3116 HydrophobicContact CG2-CD1 4.34Å; V3032-L3116 CarbonylContact C-O 3.58Å; V3032-L3116 WeakPolarHBondContact CA-O 3.29Å; V3032-L3116 VanDerWaalsContact CB-O 3.28Å; V3032-L3116 WeakPolarHBondContact CB-O 3.3Å; N3033-L3116 PolarHBondContact N-O 3.49Å; N3033-L3116 PolarHBondContact O-N 2.89Å; L3114-L3116 HydrophobicContact CD2-CD1 4.45Å; L3114-L3116 HydrophobicContact CD2-CD2 4.15Å; L3114-L3116 HydrophobicContact CD2-CG 4.44Å; L3114-L3116 HydrophobicContact CG-CD2 4.12Å; L3114-L3116 HydrophobicContact CG-CG 4.33Å; L3116-L3194 HydrophobicContact CD2-CD1 4.4Å; L3116-I3199 HydrophobicContact CD2-CG2 4.03Å; L3116-H3201 HydrophobicContact CD2-CB 3.6Å
3117	A	96	Very high	89.8	Confident	7 Å²	7	49.1 Å²	49.1	6%	0.058	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	144.5	171.8	0	0	0	0	0	110.8	V3030 Q3132 M3135 N3136 L3139	V3030-A3117 HydrophobicContact CG2-CB 4.35Å; A3117-Q3132 PolarHBondContact O-NE2 2.96Å; A3117-M3135 HydrophobicContact CB-CB 4.09Å; A3117-N3136 HydrophobicContact CB-CB 4.48Å; A3117-L3139 HydrophobicContact CB-CB 4.22Å; A3117-L3139 HydrophobicContact CB-CD2 3.88Å
3118	S	93.3	Very high	89.6	Confident	18 Å²	18	47.9 Å²	47.9	13%	0.126	28%	0.283	C	S	.	.			trans	-142.8	150.7	177.8	-170.5	0	0	0	0	110.8	F3031 N3033 M3135	F3031-S3118 WeakPolarHBondContact CB-O 3.45Å; F3031-S3118 WeakPolarHBondContact CD1-O 3.34Å; F3031-S3118 PolarHBondContact O-N 3.32Å; N3033-S3118 VanDerWaalsContact ND2-CB 3.28Å; N3033-S3118 WeakPolarHBondContact ND2-CB 3.38Å; N3033-S3118 PolarHBondContact ND2-OG 3.3Å; S3118-M3135 WeakPolarHBondContact O-CG 3.45Å
3119	A	91.4	Very high	89.3	Confident	11 Å²	11	45.5 Å²	45.5	9%	0.091	27%	0.27	C	S	.	.			trans	-65.7	142.6	166.7	0	0	0	0	0	110.8	L3128 E3131	A3119-L3128 HydrophobicContact CB-CD2 4.33Å; A3119-L3128 HydrophobicContact CB-CG 4.15Å; A3119-E3131 HydrophobicContact CB-CB 4.22Å
3120	P	87.9	Confident	89.1	Confident	40 Å²	40	48.1 Å²	48.1	26%	0.26	28%	0.284	S	S	.	.			trans	-60.5	146.6	171.7	-24.2	33.9	0	0	0	112.8	F3031 L3122 T3123	F3031-P3120 HydrophobicContact CB-CG 4.07Å; F3031-P3120 HydrophobicContact CD2-CB 4.21Å; F3031-P3120 HydrophobicContact CD2-CG 4.24Å; F3031-P3120 HydrophobicContact CE2-CB 4.46Å; F3031-P3120 HydrophobicContact CG-CB 4.36Å; F3031-P3120 HydrophobicContact CG-CG 4.08Å; P3120-L3122 PolarHBondContact O-N 3.25Å; P3120-L3122 VanDerWaalsContact O-N 3.09Å; P3120-T3123 WeakPolarHBondContact CD-OG1 3.31Å; P3120-T3123 VanDerWaalsContact O-CB 3.25Å; P3120-T3123 WeakPolarHBondContact O-CB 3.47Å; P3120-T3123 PolarHBondContact O-N 2.92Å; P3120-T3123 PolarHBondContact O-OG1 3.45Å
3121	L	78.6	Confident	88.9	Confident	139 Å²	139	50.1 Å²	50.1	73%	0.728	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.3	-172.8	-169.1	63.3	0	0	0	114.9
3122	L	79.7	Confident	88.7	Confident	136 Å²	136	52.4 Å²	52.4	71%	0.712	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	14.9	178.2	-59.6	176.6	0	0	0	113.3	I3077 P3120 P3124	I3077-L3122 HydrophobicContact CD1-CD2 4.38Å; P3120-L3122 PolarHBondContact O-N 3.25Å; P3120-L3122 VanDerWaalsContact O-N 3.09Å; L3122-P3124 WeakPolarHBondContact O-CD 3.41Å
3123	T	78.7	Confident	88.5	Confident	23 Å²	23	55.2 Å²	55.2	14%	0.141	32%	0.318	C	S	.	.			trans	-78.6	123.5	178.2	-53.8	0	0	0	0	110.5	P3120 S3127 L3128 E3131	P3120-T3123 WeakPolarHBondContact CD-OG1 3.31Å; P3120-T3123 VanDerWaalsContact O-CB 3.25Å; P3120-T3123 WeakPolarHBondContact O-CB 3.47Å; P3120-T3123 PolarHBondContact O-N 2.92Å; P3120-T3123 PolarHBondContact O-OG1 3.45Å; T3123-S3127 VanDerWaalsContact CG2-OG 3.27Å; T3123-S3127 WeakPolarHBondContact CG2-OG 3.48Å; T3123-L3128 HydrophobicContact CG2-CB 4.45Å; T3123-E3131 HydrophobicContact CG2-CB 3.91Å; T3123-E3131 HydrophobicContact CG2-CG 3.7Å
3124	P	78.9	Confident	88.4	Confident	89 Å²	89	60.1 Å²	60.1	58%	0.578	34%	0.337	S	S	*	.			trans	-58.6	139	174.6	-24.4	33.7	0	0	0	112.3	L3122 A3126 S3127 L3128	L3122-P3124 WeakPolarHBondContact O-CD 3.41Å; P3124-A3126 VanDerWaalsContact C-N 3.26Å; P3124-A3126 PolarHBondContact O-N 2.99Å; P3124-A3126 VanDerWaalsContact O-N 3.11Å; P3124-S3127 WeakPolarHBondContact CD-OG 3.34Å; P3124-S3127 CarbonylContact O-C 3.41Å; P3124-S3127 WeakPolarHBondContact O-CA 3.47Å; P3124-S3127 PolarHBondContact O-N 3.1Å; P3124-S3127 PolarHBondContact O-OG 3.06Å; P3124-L3128 PolarHBondContact O-N 3.37Å; P3124-L3128 VanDerWaalsContact O-N 3.09Å
3125	D	78.4	Confident	88.4	Confident	144 Å²	144	60.3 Å²	60.3	77%	0.77	34%	0.338	S	S	*	.	H	α-helix	trans	-50.3	-42.6	-173.8	-63.6	-48.2	0	0	0	113.8	S3127 L3128	D3125-S3127 PolarHBondContact O-N 3.43Å; D3125-S3127 VanDerWaalsContact O-N 3.08Å; D3125-L3128 WeakPolarHBondContact O-CB 3.45Å; D3125-L3128 PolarHBondContact O-N 3.35Å; D3125-L3128 VanDerWaalsContact O-N 3.15Å
3126	A	77.1	Confident	88.3	Confident	104 Å²	104	62.1 Å²	62.1	86%	0.86	35%	0.348	S	S	*	.	H	α-helix	trans	-60.8	-18.3	177.9	0	0	0	0	0	114.2	P3124	P3124-A3126 VanDerWaalsContact C-N 3.26Å; P3124-A3126 PolarHBondContact O-N 2.99Å; P3124-A3126 VanDerWaalsContact O-N 3.11Å
3127	S	85.1	Confident	88.3	Confident	36 Å²	36	69.5 Å²	69.5	25%	0.252	38%	0.375	S	S	.	.	H	α-helix	trans	-111.2	-11	178.2	63	0	0	0	0	114.1	T3123 P3124 D3125 N3129 N3130 E3131	T3123-S3127 VanDerWaalsContact CG2-OG 3.27Å; T3123-S3127 WeakPolarHBondContact CG2-OG 3.48Å; P3124-S3127 WeakPolarHBondContact CD-OG 3.34Å; P3124-S3127 CarbonylContact O-C 3.41Å; P3124-S3127 WeakPolarHBondContact O-CA 3.47Å; P3124-S3127 PolarHBondContact O-N 3.1Å; P3124-S3127 PolarHBondContact O-OG 3.06Å; D3125-S3127 PolarHBondContact O-N 3.43Å; D3125-S3127 VanDerWaalsContact O-N 3.08Å; S3127-N3129 VanDerWaalsContact C-N 3.32Å; S3127-N3129 PolarHBondContact O-N 2.86Å; S3127-N3130 WeakPolarHBondContact O-CB 3.3Å; S3127-N3130 PolarHBondContact O-N 3.14Å; S3127-E3131 PolarHBondContact O-N 3.32Å
3128	L	87.5	Confident	88.4	Confident	75 Å²	75	70.8 Å²	70.8	39%	0.393	38%	0.38	S	S	.	.	H	α-helix	trans	-52.4	-46.7	-175.1	-170.1	165.4	0	0	0	112.1	A3119 T3123 P3124 D3125 N3130 E3131 Q3132	A3119-L3128 HydrophobicContact CB-CD2 4.33Å; A3119-L3128 HydrophobicContact CB-CG 4.15Å; T3123-L3128 HydrophobicContact CG2-CB 4.45Å; P3124-L3128 PolarHBondContact O-N 3.37Å; P3124-L3128 VanDerWaalsContact O-N 3.09Å; D3125-L3128 WeakPolarHBondContact O-CB 3.45Å; D3125-L3128 PolarHBondContact O-N 3.35Å; D3125-L3128 VanDerWaalsContact O-N 3.15Å; L3128-N3130 PolarHBondContact O-N 3.5Å; L3128-E3131 PolarHBondContact O-N 2.89Å; L3128-Q3132 VanDerWaalsContact O-CB 3.22Å; L3128-Q3132 WeakPolarHBondContact O-CB 3.42Å; L3128-Q3132 PolarHBondContact O-N 3.22Å
3129	N	88.3	Confident	88.6	Confident	63 Å²	63	69.9 Å²	69.9	34%	0.337	37%	0.374	S	S	.	.	H	α-helix	trans	-63.4	-38.1	177.4	-177.8	82.2	0	0	0	113	S3127 Q3132 I3133	S3127-N3129 VanDerWaalsContact C-N 3.32Å; S3127-N3129 PolarHBondContact O-N 2.86Å; N3129-Q3132 PolarHBondContact O-N 2.88Å; N3129-I3133 WeakPolarHBondContact ND2-CD1 3.27Å; N3129-I3133 WeakPolarHBondContact O-CD1 3.36Å; N3129-I3133 VanDerWaalsContact O-CG1 3.27Å; N3129-I3133 WeakPolarHBondContact O-CG1 3.43Å; N3129-I3133 PolarHBondContact O-N 2.82Å
3130	N	90.9	Very high	88.9	Confident	101 Å²	101	71.6 Å²	71.6	54%	0.54	38%	0.384	S	S	.	.	H	α-helix	trans	-72.1	-40.5	-178.9	-62.7	-22.7	0	0	0	111	S3127 L3128 I3133 R3134	S3127-N3130 WeakPolarHBondContact O-CB 3.3Å; S3127-N3130 PolarHBondContact O-N 3.14Å; L3128-N3130 PolarHBondContact O-N 3.5Å; N3130-I3133 PolarHBondContact O-N 2.85Å; N3130-R3134 WeakPolarHBondContact O-CB 3.25Å; N3130-R3134 PolarHBondContact O-N 3.36Å
3131	E	92.9	Very high	89.3	Confident	49 Å²	49	74 Å²	74	23%	0.229	40%	0.395	C	S	.	.	H	α-helix	trans	-67.7	-38.8	173	-75	-62.2	100.8	0	0	112.1	A3119 T3123 S3127 L3128 I3133 R3134 M3135	A3119-E3131 HydrophobicContact CB-CB 4.22Å; T3123-E3131 HydrophobicContact CG2-CB 3.91Å; T3123-E3131 HydrophobicContact CG2-CG 3.7Å; S3127-E3131 PolarHBondContact O-N 3.32Å; L3128-E3131 PolarHBondContact O-N 2.89Å; E3131-I3133 VanDerWaalsContact C-N 3.29Å; E3131-I3133 PolarHBondContact O-N 2.93Å; E3131-R3134 VanDerWaalsContact CD-NE 3.27Å; E3131-R3134 WeakPolarHBondContact O-CB 3.49Å; E3131-R3134 PolarHBondContact O-N 3.13Å; E3131-R3134 WeakPolarHBondContact OE1-CD 3.42Å; E3131-R3134 IonicContact OE1-CZ 2.71Å; E3131-R3134 IonicContact OE1-NE 3.21Å; E3131-R3134 PolarHBondContact OE1-NE 3.47Å; E3131-R3134 IonicContact OE2-CZ 3.98Å; E3131-R3134 IonicContact OE2-NE 2.71Å; E3131-R3134 PolarHBondContact OE2-NE 2.92Å; E3131-R3134 IonicContact OE2-NH2 3.15Å; E3131-R3134 PolarHBondContact OE2-NH2 3.34Å; E3131-M3135 WeakPolarHBondContact O-CB 3.5Å; E3131-M3135 WeakPolarHBondContact O-CG 3.16Å; E3131-M3135 PolarHBondContact O-N 3.39Å
3132	Q	92.9	Very high	90.1	Very high	49 Å²	49	67.5 Å²	67.5	23%	0.229	36%	0.362	C	S	.	.	H	α-helix	trans	-59.8	-39	171.9	-176.3	63.5	66.1	0	0	111.8	A3117 L3128 N3129 N3136	A3117-Q3132 PolarHBondContact O-NE2 2.96Å; L3128-Q3132 VanDerWaalsContact O-CB 3.22Å; L3128-Q3132 WeakPolarHBondContact O-CB 3.42Å; L3128-Q3132 PolarHBondContact O-N 3.22Å; N3129-Q3132 PolarHBondContact O-N 2.88Å; Q3132-N3136 PolarHBondContact NE2-ND2 2.98Å; Q3132-N3136 WeakPolarHBondContact O-CB 3.28Å; Q3132-N3136 PolarHBondContact O-N 3.37Å; Q3132-N3136 PolarHBondContact O-ND2 3.21Å
3133	I	93.8	Very high	91	Very high	59 Å²	59	61.1 Å²	61.1	30%	0.303	33%	0.329	S	S	.	.	H	α-helix	trans	-68.4	-43.4	173.3	-70.4	164.5	0	0	0	110.8	N3129 N3130 E3131 M3135 N3136 R3137	N3129-I3133 WeakPolarHBondContact ND2-CD1 3.27Å; N3129-I3133 WeakPolarHBondContact O-CD1 3.36Å; N3129-I3133 VanDerWaalsContact O-CG1 3.27Å; N3129-I3133 WeakPolarHBondContact O-CG1 3.43Å; N3129-I3133 PolarHBondContact O-N 2.82Å; N3130-I3133 PolarHBondContact O-N 2.85Å; E3131-I3133 VanDerWaalsContact C-N 3.29Å; E3131-I3133 PolarHBondContact O-N 2.93Å; I3133-M3135 PolarHBondContact O-N 2.95Å; I3133-N3136 PolarHBondContact O-N 3.46Å; I3133-R3137 WeakPolarHBondContact O-CG 3.24Å; I3133-R3137 PolarHBondContact O-N 3.2Å
3134	R	95.2	Very high	91.9	Very high	103 Å²	103	61 Å²	61	39%	0.389	33%	0.327	S	S	.	.	H	α-helix	trans	-59.5	-45.4	177	-170.3	-177.3	68.2	77	2.4	111.8	N3130 E3131 R3137 I3138	N3130-R3134 WeakPolarHBondContact O-CB 3.25Å; N3130-R3134 PolarHBondContact O-N 3.36Å; E3131-R3134 VanDerWaalsContact CD-NE 3.27Å; E3131-R3134 WeakPolarHBondContact O-CB 3.49Å; E3131-R3134 PolarHBondContact O-N 3.13Å; E3131-R3134 WeakPolarHBondContact OE1-CD 3.42Å; E3131-R3134 IonicContact OE1-CZ 2.71Å; E3131-R3134 IonicContact OE1-NE 3.21Å; E3131-R3134 PolarHBondContact OE1-NE 3.47Å; E3131-R3134 IonicContact OE2-CZ 3.98Å; E3131-R3134 IonicContact OE2-NE 2.71Å; E3131-R3134 PolarHBondContact OE2-NE 2.92Å; E3131-R3134 IonicContact OE2-NH2 3.15Å; E3131-R3134 PolarHBondContact OE2-NH2 3.34Å; R3134-R3137 PolarHBondContact O-N 3.2Å; R3134-I3138 HydrophobicContact CG-CD1 4.29Å; R3134-I3138 WeakPolarHBondContact O-CG1 3.33Å; R3134-I3138 PolarHBondContact O-N 2.92Å; R3134-I3138 VanDerWaalsContact O-N 3.1Å
3135	M	96	Very high	92.8	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-68.6	-38.6	178.9	-61.4	-84.5	70.6	0	0	111.8	V3030 F3031 A3117 S3118 E3131 I3133 R3137 I3138 L3139	V3030-M3135 HydrophobicContact CB-CE 4.38Å; V3030-M3135 HydrophobicContact CG2-CB 4.09Å; V3030-M3135 HydrophobicContact CG2-CE 4.15Å; V3030-M3135 WeakPolarHBondContact CG2-O 3.47Å; V3030-M3135 HydrophobicContact CG2-SD 4.29Å; F3031-M3135 HydrophobicContact CB-SD 3.62Å; F3031-M3135 PolarHBondContact N-SD 3.09Å; A3117-M3135 HydrophobicContact CB-CB 4.09Å; S3118-M3135 WeakPolarHBondContact O-CG 3.45Å; E3131-M3135 WeakPolarHBondContact O-CB 3.5Å; E3131-M3135 WeakPolarHBondContact O-CG 3.16Å; E3131-M3135 PolarHBondContact O-N 3.39Å; I3133-M3135 PolarHBondContact O-N 2.95Å; M3135-R3137 PolarHBondContact O-N 2.86Å; M3135-I3138 HydrophobicContact CE-CD1 3.6Å; M3135-I3138 PolarHBondContact O-N 3.27Å; M3135-L3139 PolarHBondContact O-N 3.31Å
3136	N	96.2	Very high	93.7	Very high	38 Å²	38	56.7 Å²	56.7	20%	0.203	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-41.4	171.3	-88.2	-64.4	0	0	0	112.6	A3117 Q3132 I3133 L3139 C3140 P3200	A3117-N3136 HydrophobicContact CB-CB 4.48Å; Q3132-N3136 PolarHBondContact NE2-ND2 2.98Å; Q3132-N3136 WeakPolarHBondContact O-CB 3.28Å; Q3132-N3136 PolarHBondContact O-N 3.37Å; Q3132-N3136 PolarHBondContact O-ND2 3.21Å; I3133-N3136 PolarHBondContact O-N 3.46Å; N3136-L3139 PolarHBondContact O-N 2.81Å; N3136-C3140 PolarHBondContact O-N 2.57Å; N3136-C3140 PolarHBondContact O-SG 3.16Å; N3136-P3200 HydrophobicContact CB-CG 4.43Å
3137	R	96.6	Very high	94.7	Very high	171 Å²	171	52 Å²	52	65%	0.645	25%	0.252	S	S	*	.	H	α-helix	trans	-62.2	-46.2	176.6	-74	178.5	-177.7	-175.4	1.2	111.8	I3133 R3134 M3135 L3139 C3140 D3141	I3133-R3137 WeakPolarHBondContact O-CG 3.24Å; I3133-R3137 PolarHBondContact O-N 3.2Å; R3134-R3137 PolarHBondContact O-N 3.2Å; M3135-R3137 PolarHBondContact O-N 2.86Å; R3137-L3139 VanDerWaalsContact C-N 3.34Å; R3137-L3139 PolarHBondContact O-N 3.33Å; R3137-C3140 WeakPolarHBondContact O-CB 3.46Å; R3137-C3140 PolarHBondContact O-N 3.46Å; R3137-C3140 VanDerWaalsContact O-N 3.14Å; R3137-D3141 PolarHBondContact O-N 2.93Å
3138	I	97.1	Very high	95.3	Very high	33 Å²	33	54.2 Å²	54.2	17%	0.169	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-40.1	177.3	-66	164.6	0	0	0	111	E3028 V3030 R3134 M3135 C3140 G3142 F3143	E3028-I3138 HydrophobicContact CB-CG2 4.29Å; V3030-I3138 HydrophobicContact CB-CB 4.5Å; V3030-I3138 HydrophobicContact CB-CG2 3.95Å; R3134-I3138 HydrophobicContact CG-CD1 4.29Å; R3134-I3138 WeakPolarHBondContact O-CG1 3.33Å; R3134-I3138 PolarHBondContact O-N 2.92Å; R3134-I3138 VanDerWaalsContact O-N 3.1Å; M3135-I3138 HydrophobicContact CE-CD1 3.6Å; M3135-I3138 PolarHBondContact O-N 3.27Å; I3138-C3140 VanDerWaalsContact C-N 3.31Å; I3138-C3140 PolarHBondContact O-N 3.06Å; I3138-G3142 WeakPolarHBondContact O-CA 3.2Å; I3138-G3142 PolarHBondContact O-N 3.35Å; I3138-F3143 HydrophobicContact CG2-CD2 4.31Å; I3138-F3143 HydrophobicContact CG2-CE2 4.03Å; I3138-F3143 PolarHBondContact O-N 2.65Å
3139	L	97.9	Very high	95.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.271	C	S	.	.	I	π-helix	trans	-61.2	-38.6	173.8	-172.2	63	0	0	0	112.3	V3030 A3117 M3135 N3136 R3137 F3143 I3144 P3200 V3202	V3030-L3139 HydrophobicContact CG1-CD1 4.39Å; V3030-L3139 HydrophobicContact CG2-CB 4.28Å; A3117-L3139 HydrophobicContact CB-CB 4.22Å; A3117-L3139 HydrophobicContact CB-CD2 3.88Å; M3135-L3139 PolarHBondContact O-N 3.31Å; N3136-L3139 PolarHBondContact O-N 2.81Å; R3137-L3139 VanDerWaalsContact C-N 3.34Å; R3137-L3139 PolarHBondContact O-N 3.33Å; L3139-F3143 HydrophobicContact CD1-CB 4.14Å; L3139-F3143 HydrophobicContact CD1-CG 4.49Å; L3139-F3143 WeakPolarHBondContact O-CB 3.37Å; L3139-I3144 HydrophobicContact CG-CD1 4.03Å; L3139-I3144 HydrophobicContact CG-CG1 4.49Å; L3139-I3144 WeakPolarHBondContact O-CB 3.3Å; L3139-I3144 VanDerWaalsContact O-CG1 3.32Å; L3139-I3144 WeakPolarHBondContact O-CG1 3.39Å; L3139-I3144 PolarHBondContact O-N 2.66Å; L3139-P3200 HydrophobicContact CD2-CB 4.13Å; L3139-V3202 HydrophobicContact CD1-CG1 4.21Å
3140	C	97	Very high	96.1	Very high	46 Å²	46	58.2 Å²	58.2	31%	0.311	27%	0.274	S	S	.	.	I	π-helix	trans	-67.9	-61.4	175.1	-66.7	0	0	0	0	112.4	N3136 R3137 I3138 K3145 P3200	N3136-C3140 PolarHBondContact O-N 2.57Å; N3136-C3140 PolarHBondContact O-SG 3.16Å; R3137-C3140 WeakPolarHBondContact O-CB 3.46Å; R3137-C3140 PolarHBondContact O-N 3.46Å; R3137-C3140 VanDerWaalsContact O-N 3.14Å; I3138-C3140 VanDerWaalsContact C-N 3.31Å; I3138-C3140 PolarHBondContact O-N 3.06Å; C3140-K3145 WeakPolarHBondContact O-CB 3.37Å; C3140-K3145 PolarHBondContact O-N 3.07Å; C3140-P3200 VanDerWaalsContact SG-CB 3.59Å; C3140-P3200 WeakPolarHBondContact SG-CG 3.43Å
3141	D	96.5	Very high	96.4	Very high	90 Å²	90	55 Å²	55	48%	0.481	27%	0.265	S	S	.	.	I	π-helix	trans	-81	-37.8	-165.7	-80.4	-58.9	0	0	0	113.6	R3137 K3145	R3137-D3141 PolarHBondContact O-N 2.93Å; D3141-K3145 WeakPolarHBondContact O-CD 3.28Å; D3141-K3145 IonicContact OD1-NZ 2.81Å; D3141-K3145 PolarHBondContact OD1-NZ 2.88Å
3142	G	95.8	Very high	96.7	Very high	4 Å²	4	52.8 Å²	52.8	4%	0.041	26%	0.255	C	S	.	.	I	π-helix	trans	-85	-42.7	-179.4	0	0	0	0	0	113.6	L3025 E3028 I3138 Y3146	L3025-G3142 WeakPolarHBondContact CD2-O 3.24Å; E3028-G3142 VanDerWaalsContact CD-CA 3.42Å; E3028-G3142 VanDerWaalsContact OE1-CA 3.22Å; E3028-G3142 WeakPolarHBondContact OE1-CA 3.27Å; E3028-G3142 VanDerWaalsContact OE2-CA 3.25Å; E3028-G3142 WeakPolarHBondContact OE2-CA 3.18Å; I3138-G3142 WeakPolarHBondContact O-CA 3.2Å; I3138-G3142 PolarHBondContact O-N 3.35Å; G3142-Y3146 VanDerWaalsContact O-CB 3.22Å; G3142-Y3146 WeakPolarHBondContact O-CB 3.35Å
3143	F	98.1	Very high	96.9	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	24%	0.244	C	C	.	.	I	π-helix	trans	-98.8	-66.7	-171.3	-69.1	-107.8	0	0	0	112.6	L3023 L3025 E3028 V3030 I3086 I3138 L3139 K3145 Y3146 M3147	L3023-F3143 HydrophobicContact CB-CE1 3.82Å; L3023-F3143 HydrophobicContact CB-CZ 4.24Å; L3023-F3143 WeakPolarHBondContact O-CZ 3.36Å; L3025-F3143 HydrophobicContact CB-CD1 3.85Å; L3025-F3143 HydrophobicContact CB-CE1 3.4Å; L3025-F3143 HydrophobicContact CB-CE2 4.32Å; L3025-F3143 HydrophobicContact CB-CG 4.48Å; L3025-F3143 HydrophobicContact CB-CZ 3.66Å; L3025-F3143 HydrophobicContact CD2-CB 4.32Å; L3025-F3143 HydrophobicContact CD2-CD1 3.81Å; L3025-F3143 HydrophobicContact CD2-CE1 4.26Å; L3025-F3143 HydrophobicContact CD2-CG 3.99Å; L3025-F3143 HydrophobicContact CG-CE1 4.49Å; E3028-F3143 HydrophobicContact CB-CE2 4.13Å; V3030-F3143 HydrophobicContact CB-CE2 4.11Å; V3030-F3143 HydrophobicContact CG1-CD2 3.93Å; V3030-F3143 HydrophobicContact CG1-CE1 4.14Å; V3030-F3143 HydrophobicContact CG1-CE2 3.53Å; V3030-F3143 HydrophobicContact CG1-CG 4.42Å; V3030-F3143 HydrophobicContact CG1-CZ 3.65Å; I3086-F3143 HydrophobicContact CD1-CD1 4.06Å; I3086-F3143 HydrophobicContact CD1-CE1 4.04Å; I3138-F3143 HydrophobicContact CG2-CD2 4.31Å; I3138-F3143 HydrophobicContact CG2-CE2 4.03Å; I3138-F3143 PolarHBondContact O-N 2.65Å; L3139-F3143 HydrophobicContact CD1-CB 4.14Å; L3139-F3143 HydrophobicContact CD1-CG 4.49Å; L3139-F3143 WeakPolarHBondContact O-CB 3.37Å; F3143-K3145 PolarHBondContact O-N 3Å; F3143-Y3146 PolarHBondContact O-N 3.03Å; F3143-M3147 HydrophobicContact CB-CE 4.32Å; F3143-M3147 WeakPolarHBondContact O-CB 3.35Å; F3143-M3147 WeakPolarHBondContact O-CG 3.39Å; F3143-M3147 PolarHBondContact O-N 3.09Å
3144	I	97.9	Very high	97.1	Very high	21 Å²	21	47.8 Å²	47.8	11%	0.108	23%	0.231	C	C	.	.	I	π-helix	trans	-60.5	-51.7	-174	-71.2	167	0	0	0	110.7	L3139 Y3146 M3147 L3148 P3175 P3200 H3201 V3202	L3139-I3144 HydrophobicContact CG-CD1 4.03Å; L3139-I3144 HydrophobicContact CG-CG1 4.49Å; L3139-I3144 WeakPolarHBondContact O-CB 3.3Å; L3139-I3144 VanDerWaalsContact O-CG1 3.32Å; L3139-I3144 WeakPolarHBondContact O-CG1 3.39Å; L3139-I3144 PolarHBondContact O-N 2.66Å; I3144-Y3146 PolarHBondContact O-N 2.62Å; I3144-M3147 PolarHBondContact O-N 3.08Å; I3144-L3148 HydrophobicContact CG2-CD1 3.73Å; I3144-L3148 HydrophobicContact CG2-CG 4.37Å; I3144-L3148 WeakPolarHBondContact O-CB 3.3Å; I3144-L3148 VanDerWaalsContact O-CG 3.3Å; I3144-L3148 WeakPolarHBondContact O-CG 3.48Å; I3144-L3148 PolarHBondContact O-N 3.22Å; I3144-P3175 HydrophobicContact CG2-CG 4.48Å; I3144-P3200 HydrophobicContact CD1-CB 4.25Å; I3144-H3201 WeakPolarHBondContact CD1-O 3.17Å; I3144-V3202 HydrophobicContact CD1-CG1 4.29Å; I3144-V3202 HydrophobicContact CG1-CG1 3.67Å
3145	K	97.4	Very high	97.3	Very high	117 Å²	117	42.9 Å²	42.9	51%	0.509	21%	0.212	S	C	.	.	H	α-helix	trans	-59.2	-45.5	-179.8	-179.2	-175.6	-171.2	176.9	0	112.5	C3140 D3141 F3143 L3148 E3149	C3140-K3145 WeakPolarHBondContact O-CB 3.37Å; C3140-K3145 PolarHBondContact O-N 3.07Å; D3141-K3145 WeakPolarHBondContact O-CD 3.28Å; D3141-K3145 IonicContact OD1-NZ 2.81Å; D3141-K3145 PolarHBondContact OD1-NZ 2.88Å; F3143-K3145 PolarHBondContact O-N 3Å; K3145-L3148 PolarHBondContact O-N 3.17Å; K3145-E3149 VanDerWaalsContact O-CB 3.27Å; K3145-E3149 WeakPolarHBondContact O-CB 3.43Å; K3145-E3149 PolarHBondContact O-N 3.23Å
3146	Y	97.3	Very high	97.3	Very high	26 Å²	26	43.5 Å²	43.5	10%	0.102	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-46.2	176.3	171.3	-103.9	0	0	0	112.5	I2251 L3025 G3142 F3143 I3144 L3148 E3149 K3150	I2251-Y3146 HydrophobicContact CD1-CE1 3.92Å; I2251-Y3146 WeakPolarHBondContact CD1-OH 3.45Å; L3025-Y3146 HydrophobicContact CD1-CD1 4.2Å; L3025-Y3146 HydrophobicContact CD1-CE1 4.06Å; L3025-Y3146 HydrophobicContact CD2-CD1 3.77Å; L3025-Y3146 HydrophobicContact CD2-CE1 4.47Å; L3025-Y3146 HydrophobicContact CD2-CG 4.48Å; L3025-Y3146 HydrophobicContact CG-CD1 4.4Å; G3142-Y3146 VanDerWaalsContact O-CB 3.22Å; G3142-Y3146 WeakPolarHBondContact O-CB 3.35Å; F3143-Y3146 PolarHBondContact O-N 3.03Å; I3144-Y3146 PolarHBondContact O-N 2.62Å; Y3146-L3148 VanDerWaalsContact C-N 3.33Å; Y3146-L3148 PolarHBondContact O-N 2.68Å; Y3146-E3149 PolarHBondContact O-N 3.39Å; Y3146-K3150 HydrophobicContact CD2-CG 3.91Å; Y3146-K3150 HydrophobicContact CE1-CG 4.41Å; Y3146-K3150 HydrophobicContact CE2-CD 4.2Å; Y3146-K3150 HydrophobicContact CE2-CG 3.41Å; Y3146-K3150 VanDerWaalsContact CE2-CG 3.41Å; Y3146-K3150 WeakPolarHBondContact O-CG 3.25Å; Y3146-K3150 PolarHBondContact O-N 2.66Å
3147	M	97.9	Very high	97.2	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.02	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-37.8	-179.4	-73.8	-170.1	-64.2	0	0	112	F3143 I3144 G3151 A3152 I3172 P3174 V3202	F3143-M3147 HydrophobicContact CB-CE 4.32Å; F3143-M3147 WeakPolarHBondContact O-CB 3.35Å; F3143-M3147 WeakPolarHBondContact O-CG 3.39Å; F3143-M3147 PolarHBondContact O-N 3.09Å; I3144-M3147 PolarHBondContact O-N 3.08Å; M3147-G3151 PolarHBondContact O-N 3.09Å; M3147-G3151 VanDerWaalsContact O-N 3.1Å; M3147-A3152 WeakPolarHBondContact CB-O 3.48Å; M3147-A3152 PolarHBondContact O-N 2.87Å; M3147-I3172 HydrophobicContact CE-CG2 4.31Å; M3147-I3172 HydrophobicContact SD-CG2 4.43Å; M3147-I3172 VanDerWaalsContact SD-O 3.4Å; M3147-P3174 HydrophobicContact CB-CB 3.89Å; M3147-P3174 HydrophobicContact CB-CG 3.73Å; M3147-P3174 HydrophobicContact CE-CB 4.27Å; M3147-V3202 HydrophobicContact CE-CG1 3.8Å
3148	L	97.6	Very high	97	Very high	84 Å²	84	35.7 Å²	35.7	44%	0.44	19%	0.187	S	C	.	.	H	α-helix	trans	-67.1	-46.2	172.1	-69	174.2	0	0	0	112.3	I3144 K3145 Y3146 K3150 G3151 P3174	I3144-L3148 HydrophobicContact CG2-CD1 3.73Å; I3144-L3148 HydrophobicContact CG2-CG 4.37Å; I3144-L3148 WeakPolarHBondContact O-CB 3.3Å; I3144-L3148 VanDerWaalsContact O-CG 3.3Å; I3144-L3148 WeakPolarHBondContact O-CG 3.48Å; I3144-L3148 PolarHBondContact O-N 3.22Å; K3145-L3148 PolarHBondContact O-N 3.17Å; Y3146-L3148 VanDerWaalsContact C-N 3.33Å; Y3146-L3148 PolarHBondContact O-N 2.68Å; L3148-K3150 VanDerWaalsContact C-N 3.25Å; L3148-K3150 PolarHBondContact O-N 2.94Å; L3148-G3151 PolarHBondContact O-N 2.67Å; L3148-P3174 HydrophobicContact CD2-CB 3.84Å; L3148-P3174 HydrophobicContact CD2-CG 3.88Å; L3148-P3174 HydrophobicContact CG-CB 3.87Å; L3148-P3174 HydrophobicContact CG-CG 4.26Å
3149	E	97	Very high	96.8	Very high	129 Å²	129	35 Å²	35	60%	0.603	19%	0.185	S	C	*	.	H	α-helix	trans	-60.9	-34	178.7	-167	-150.4	118.7	0	0	112.2	K3145 Y3146	K3145-E3149 VanDerWaalsContact O-CB 3.27Å; K3145-E3149 WeakPolarHBondContact O-CB 3.43Å; K3145-E3149 PolarHBondContact O-N 3.23Å; Y3146-E3149 PolarHBondContact O-N 3.39Å
3150	K	96.7	Very high	96.3	Very high	92 Å²	92	38.1 Å²	38.1	40%	0.4	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	0.7	175.8	-58	-43.3	-177.2	-164.2	0	114.3	Y3146 L3148 A3152	Y3146-K3150 HydrophobicContact CD2-CG 3.91Å; Y3146-K3150 HydrophobicContact CE1-CG 4.41Å; Y3146-K3150 HydrophobicContact CE2-CD 4.2Å; Y3146-K3150 HydrophobicContact CE2-CG 3.41Å; Y3146-K3150 VanDerWaalsContact CE2-CG 3.41Å; Y3146-K3150 WeakPolarHBondContact O-CG 3.25Å; Y3146-K3150 PolarHBondContact O-N 2.66Å; L3148-K3150 VanDerWaalsContact C-N 3.25Å; L3148-K3150 PolarHBondContact O-N 2.94Å; K3150-A3152 HydrophobicContact CB-CB 4.34Å; K3150-A3152 PolarHBondContact O-N 2.85Å
3151	G	97.1	Very high	95.6	Very high	34 Å²	34	37.4 Å²	37.4	35%	0.351	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	40	-178.5	0	0	0	0	0	112.8	L3092 M3147 L3148	L3092-G3151 WeakPolarHBondContact CB-O 3.25Å; L3092-G3151 WeakPolarHBondContact CG-O 3.38Å; L3092-G3151 PolarHBondContact N-O 3.03Å; M3147-G3151 PolarHBondContact O-N 3.09Å; M3147-G3151 VanDerWaalsContact O-N 3.1Å; L3148-G3151 PolarHBondContact O-N 2.67Å
3152	A	98.2	Very high	94.9	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.017	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150.7	-167.2	0	0	0	0	0	113	R3089 M3090 M3147 K3150	R3089-A3152 HydrophobicContact CB-CB 4.04Å; R3089-A3152 HydrophobicContact CG-CB 4.3Å; M3090-A3152 CarbonylContact O-C 3.5Å; M3090-A3152 VanDerWaalsContact O-CA 3.24Å; M3090-A3152 WeakPolarHBondContact O-CA 3.45Å; M3090-A3152 WeakPolarHBondContact O-CB 3.12Å; M3147-A3152 WeakPolarHBondContact CB-O 3.48Å; M3147-A3152 PolarHBondContact O-N 2.87Å; K3150-A3152 HydrophobicContact CB-CB 4.34Å; K3150-A3152 PolarHBondContact O-N 2.85Å
3153	A	98.5	Very high	94.3	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	146.7	164	0	0	0	0	0	110.3	R3089 M3090 L3092 I3172 F3173	R3089-A3153 CarbonylContact C-O 3.59Å; R3089-A3153 VanDerWaalsContact CA-O 3.27Å; R3089-A3153 WeakPolarHBondContact CA-O 3.34Å; M3090-A3153 HydrophobicContact CE-CB 4.4Å; M3090-A3153 PolarHBondContact N-O 3.17Å; M3090-A3153 PolarHBondContact O-N 3.27Å; L3092-A3153 HydrophobicContact CD2-CB 4.11Å; A3153-I3172 CarbonylContact C-O 3.56Å; A3153-I3172 WeakPolarHBondContact CA-O 3.48Å; A3153-I3172 WeakPolarHBondContact CB-O 3.45Å; A3153-F3173 HydrophobicContact CB-CD1 3.68Å; A3153-F3173 HydrophobicContact CB-CE1 3.78Å; A3153-F3173 HydrophobicContact CB-CG 4.18Å; A3153-F3173 HydrophobicContact CB-CZ 4.38Å
3154	G	98.2	Very high	93.6	Very high	2 Å²	2	47.7 Å²	47.7	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	142.6	168.3	0	0	0	0	0	111.3	I3172	G3154-I3172 PolarHBondContact N-O 3.44Å; G3154-I3172 PolarHBondContact O-N 2.96Å
3155	I	97.6	Very high	93.1	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.7	-178.5	-64.4	-66.5	0	0	0	110.5	Q3088 M3090 N3157 V3169 I3170 H3171	Q3088-I3155 HydrophobicContact CB-CB 3.85Å; Q3088-I3155 HydrophobicContact CB-CG2 3.98Å; Q3088-I3155 PolarHBondContact N-O 2.88Å; Q3088-I3155 PolarHBondContact O-N 3.48Å; M3090-I3155 HydrophobicContact CB-CD1 3.71Å; M3090-I3155 HydrophobicContact CB-CG1 3.62Å; I3155-N3157 WeakPolarHBondContact CG2-OD1 3.25Å; I3155-V3169 HydrophobicContact CD1-CG1 4.19Å; I3155-V3169 HydrophobicContact CG2-CG1 4.01Å; I3155-I3170 WeakPolarHBondContact CA-O 3.39Å; I3155-H3171 HydrophobicContact CD1-CB 4.29Å; I3155-H3171 WeakPolarHBondContact CD1-ND1 3.47Å
3156	I	96.3	Very high	92.6	Very high	17 Å²	17	50.2 Å²	50.2	9%	0.087	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	114.2	168.8	-44.3	-177.4	0	0	0	108	L3084 I3086 I3170 I3172	L3084-I3156 HydrophobicContact CB-CD1 3.7Å; I3086-I3156 HydrophobicContact CG1-CD1 4.17Å; I3086-I3156 HydrophobicContact CG1-CG1 4.33Å; I3156-I3170 HydrophobicContact CB-CB 4.18Å; I3156-I3170 PolarHBondContact N-O 2.82Å; I3156-I3170 PolarHBondContact O-N 3.39Å; I3156-I3172 HydrophobicContact CD1-CD1 4.17Å
3157	N	94.7	Very high	92.4	Very high	45 Å²	45	51.7 Å²	51.7	24%	0.241	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	135	174.1	-56.8	-31.4	0	0	0	109.3	Q3088 I3155	Q3088-N3157 PolarHBondContact OE1-ND2 3.3Å; I3155-N3157 WeakPolarHBondContact CG2-OD1 3.25Å
3158	V	93.1	Very high	92.3	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	103.1	-179.3	179.7	0	0	0	0	108.2	V3050 I3051 L3167 Y3168 I3170	V3050-V3158 HydrophobicContact CB-CG1 4.01Å; V3050-V3158 HydrophobicContact CG1-CG1 3.67Å; I3051-V3158 HydrophobicContact CD1-CG1 4.43Å; I3051-V3158 HydrophobicContact CD1-CG2 3.74Å; I3051-V3158 HydrophobicContact CG1-CB 4.45Å; I3051-V3158 HydrophobicContact CG1-CG1 3.78Å; I3051-V3158 HydrophobicContact CG1-CG2 3.81Å; V3158-L3167 PolarHBondContact O-N 2.9Å; V3158-Y3168 HydrophobicContact CB-CD2 4.39Å; V3158-Y3168 HydrophobicContact CG1-CD2 4.14Å; V3158-Y3168 PolarHBondContact N-O 2.98Å; V3158-Y3168 PolarHBondContact O-N 2.85Å; V3158-I3170 HydrophobicContact CG2-CD1 4.34Å; V3158-I3170 HydrophobicContact CG2-CG1 4.44Å
3159	C	91.8	Very high	92.3	Very high	19 Å²	19	49.6 Å²	49.6	13%	0.128	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	148.6	-174.9	-47.2	0	0	0	0	111.4	V3050 Q3165 N3166	V3050-C3159 WeakPolarHBondContact CG1-O 3.5Å; C3159-Q3165 CarbonylContact C-O 3.05Å; C3159-Q3165 VanDerWaalsContact CA-O 3.25Å; C3159-Q3165 WeakPolarHBondContact CA-O 3.49Å; C3159-N3166 PolarHBondContact SG-OD1 3.44Å
3160	H	87.5	Confident	92.3	Very high	65 Å²	65	43.5 Å²	43.5	30%	0.301	24%	0.237	S	C	.	.			trans	-64.1	128.6	169	-173.5	62.8	0	0	0	109.9	C3162 T3163 Q3164 Q3165 L3167	H3160-C3162 PolarHBondContact O-N 2.85Å; H3160-C3162 VanDerWaalsContact O-N 3.12Å; H3160-T3163 PolarHBondContact CD2-OG1 3.09Å; H3160-T3163 PolarHBondContact O-N 3.02Å; H3160-Q3164 PolarHBondContact O-N 3.35Å; H3160-Q3165 PolarHBondContact N-O 3.48Å; H3160-L3167 HydrophobicContact CB-CD1 3.69Å; H3160-L3167 HydrophobicContact CB-CD2 4.13Å; H3160-L3167 HydrophobicContact CB-CG 3.83Å
3161	P	81.7	Confident	92.4	Very high	30 Å²	30	39.3 Å²	39.3	20%	0.195	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-31	-171.4	19.4	-32.9	0	0	0	113.9	E3053	E3053-P3161 HydrophobicContact CG-CG 4.25Å
3162	C	82	Confident	92.4	Very high	109 Å²	109	37.8 Å²	37.8	74%	0.736	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-31.9	-177.8	-63.7	0	0	0	0	114.8	H3160	H3160-C3162 PolarHBondContact O-N 2.85Å; H3160-C3162 VanDerWaalsContact O-N 3.12Å
3163	T	84.6	Confident	92.5	Very high	73 Å²	73	37.7 Å²	37.7	45%	0.448	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-7.7	-171.9	62.2	0	0	0	0	114.3	H3160 Q3165	H3160-T3163 PolarHBondContact CD2-OG1 3.09Å; H3160-T3163 PolarHBondContact O-N 3.02Å; T3163-Q3165 PolarHBondContact O-N 3.42Å; T3163-Q3165 PolarHBondContact OG1-OE1 2.89Å; T3163-Q3165 VanDerWaalsContact OG1-OE1 3.13Å
3164	Q	81.8	Confident	92.4	Very high	130 Å²	130	37.6 Å²	37.6	61%	0.607	20%	0.201	S	C	*	.			trans	57.6	7.8	-174	-61.6	-71	-27.1	0	0	114.6	H3160	H3160-Q3164 PolarHBondContact O-N 3.35Å
3165	Q	87.6	Confident	92.3	Very high	119 Å²	119	39.5 Å²	39.5	56%	0.556	21%	0.213	S	C	*	.			trans	-70.4	132	173.3	-69.5	167.5	-27.6	0	0	109.6	C3159 H3160 T3163 L3167	C3159-Q3165 CarbonylContact C-O 3.05Å; C3159-Q3165 VanDerWaalsContact CA-O 3.25Å; C3159-Q3165 WeakPolarHBondContact CA-O 3.49Å; H3160-Q3165 PolarHBondContact N-O 3.48Å; T3163-Q3165 PolarHBondContact O-N 3.42Å; T3163-Q3165 PolarHBondContact OG1-OE1 2.89Å; T3163-Q3165 VanDerWaalsContact OG1-OE1 3.13Å; Q3165-L3167 PolarHBondContact O-N 3.32Å
3166	N	87.8	Confident	92.3	Very high	72 Å²	72	40.2 Å²	40.2	39%	0.385	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	123.2	172.9	-60.9	-34.4	0	0	0	109.2	C3159 V3209	C3159-N3166 PolarHBondContact SG-OD1 3.44Å; N3166-V3209 HydrophobicContact CB-CG1 4.24Å; N3166-V3209 HydrophobicContact CB-CG2 3.79Å; N3166-V3209 WeakPolarHBondContact O-CB 3.19Å; N3166-V3209 WeakPolarHBondContact O-CG2 3.33Å
3167	L	93.6	Very high	92.3	Very high	57 Å²	57	45 Å²	45	30%	0.298	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-40.9	174.2	-64.7	180	0	0	0	111.6	V3050 V3158 H3160 Q3165 V3209	V3050-L3167 HydrophobicContact CG1-CD1 4.39Å; V3050-L3167 HydrophobicContact CG2-CD1 4.23Å; V3158-L3167 PolarHBondContact O-N 2.9Å; H3160-L3167 HydrophobicContact CB-CD1 3.69Å; H3160-L3167 HydrophobicContact CB-CD2 4.13Å; H3160-L3167 HydrophobicContact CB-CG 3.83Å; Q3165-L3167 PolarHBondContact O-N 3.32Å; L3167-V3209 PolarHBondContact O-N 2.95Å; L3167-V3209 VanDerWaalsContact O-N 3.16Å
3168	Y	96	Very high	92.4	Very high	39 Å²	39	43.8 Å²	43.8	15%	0.153	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	152.9	179.6	-45.4	-77.2	0	0	0	110.6	L3043 S3046 C3047 V3050 V3158 T3207 T3208	L3043-Y3168 HydrophobicContact CD2-CE1 4.04Å; S3046-Y3168 WeakPolarHBondContact CB-OH 3.4Å; C3047-Y3168 HydrophobicContact CB-CD2 3.85Å; C3047-Y3168 HydrophobicContact CB-CE2 4.25Å; C3047-Y3168 HydrophobicContact CB-CG 4.1Å; V3050-Y3168 HydrophobicContact CG2-CE2 4.32Å; V3158-Y3168 HydrophobicContact CB-CD2 4.39Å; V3158-Y3168 HydrophobicContact CG1-CD2 4.14Å; V3158-Y3168 PolarHBondContact N-O 2.98Å; V3158-Y3168 PolarHBondContact O-N 2.85Å; Y3168-T3207 CarbonylContact C-O 3.58Å; Y3168-T3207 VanDerWaalsContact CA-O 3.23Å; Y3168-T3207 WeakPolarHBondContact CA-O 3.43Å; Y3168-T3208 HydrophobicContact CD1-CG2 4.32Å; Y3168-T3208 HydrophobicContact CE1-CG2 4.21Å
3169	V	96.5	Very high	92.6	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.5	167.5	-178.9	0	0	0	0	108.3	I3155 I3206 T3207 V3209	I3155-V3169 HydrophobicContact CD1-CG1 4.19Å; I3155-V3169 HydrophobicContact CG2-CG1 4.01Å; V3169-I3206 WeakPolarHBondContact O-CA 3.22Å; V3169-T3207 PolarHBondContact N-O 2.93Å; V3169-T3207 PolarHBondContact O-N 2.74Å; V3169-T3207 PolarHBondContact O-OG1 3.31Å; V3169-V3209 HydrophobicContact CG2-CG2 3.92Å
3170	I	97.5	Very high	92.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	114.5	172.4	-49.6	178.6	0	0	0	107.7	M3048 I3051 I3155 I3156 V3158 I3172 T3204 I3206	M3048-I3170 HydrophobicContact CE-CD1 3.83Å; I3051-I3170 HydrophobicContact CD1-CD1 4.23Å; I3155-I3170 WeakPolarHBondContact CA-O 3.39Å; I3156-I3170 HydrophobicContact CB-CB 4.18Å; I3156-I3170 PolarHBondContact N-O 2.82Å; I3156-I3170 PolarHBondContact O-N 3.39Å; V3158-I3170 HydrophobicContact CG2-CD1 4.34Å; V3158-I3170 HydrophobicContact CG2-CG1 4.44Å; I3170-I3172 HydrophobicContact CG2-CD1 4.35Å; I3170-I3172 HydrophobicContact CG2-CG1 4.03Å; I3170-T3204 HydrophobicContact CG2-CG2 3.54Å; I3170-I3206 HydrophobicContact CG1-CG1 4.17Å; I3170-I3206 HydrophobicContact CG1-CG2 4.48Å; I3170-I3206 HydrophobicContact CG2-CG1 4.36Å
3171	H	98	Very high	93.2	Very high	5 Å²	5	46.5 Å²	46.5	2%	0.023	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.8	175.8	-51	-105.2	0	0	0	108.9	I3155 F3173 T3204 V3205 T3207	I3155-H3171 HydrophobicContact CD1-CB 4.29Å; I3155-H3171 WeakPolarHBondContact CD1-ND1 3.47Å; H3171-F3173 HydrophobicContact CB-CD2 4.26Å; H3171-F3173 HydrophobicContact CB-CE2 3.49Å; H3171-F3173 VanDerWaalsContact CB-CE2 3.49Å; H3171-F3173 HydrophobicContact CB-CZ 3.94Å; H3171-T3204 CarbonylContact O-C 3.5Å; H3171-T3204 WeakPolarHBondContact O-CA 3.5Å; H3171-V3205 HydrophobicContact CB-CB 4.46Å; H3171-V3205 PolarHBondContact CD2-O 3.01Å; H3171-V3205 PolarHBondContact N-O 3.23Å; H3171-V3205 PolarHBondContact O-N 2.73Å; H3171-T3207 PolarHBondContact NE2-OG1 3.46Å
3172	I	98.4	Very high	93.9	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	102.6	-176.5	-58.4	176.4	0	0	0	108.2	I3086 M3147 A3153 G3154 I3156 I3170 V3202 T3204	I3086-I3172 HydrophobicContact CD1-CD1 3.76Å; I3086-I3172 HydrophobicContact CG1-CD1 3.99Å; M3147-I3172 HydrophobicContact CE-CG2 4.31Å; M3147-I3172 HydrophobicContact SD-CG2 4.43Å; M3147-I3172 VanDerWaalsContact SD-O 3.4Å; A3153-I3172 CarbonylContact C-O 3.56Å; A3153-I3172 WeakPolarHBondContact CA-O 3.48Å; A3153-I3172 WeakPolarHBondContact CB-O 3.45Å; G3154-I3172 PolarHBondContact N-O 3.44Å; G3154-I3172 PolarHBondContact O-N 2.96Å; I3156-I3172 HydrophobicContact CD1-CD1 4.17Å; I3170-I3172 HydrophobicContact CG2-CD1 4.35Å; I3170-I3172 HydrophobicContact CG2-CG1 4.03Å; I3172-V3202 HydrophobicContact CG2-CB 4.02Å; I3172-V3202 HydrophobicContact CG2-CG2 3.71Å; I3172-T3204 HydrophobicContact CG1-CG2 4.37Å
3173	F	98.5	Very high	94.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.7	-175.7	-64.2	-88.4	0	0	0	111.5	M3090 L3092 L3097 V3100 A3153 H3171 F3178 V3202 L3203 V3205	M3090-F3173 HydrophobicContact CE-CE1 3.93Å; M3090-F3173 HydrophobicContact CE-CZ 3.99Å; L3092-F3173 HydrophobicContact CD2-CD1 3.69Å; L3092-F3173 HydrophobicContact CD2-CE1 3.9Å; L3097-F3173 HydrophobicContact CD2-CE1 3.7Å; L3097-F3173 HydrophobicContact CD2-CZ 4.46Å; V3100-F3173 HydrophobicContact CG1-CE2 4.38Å; V3100-F3173 HydrophobicContact CG1-CZ 4.17Å; V3100-F3173 HydrophobicContact CG2-CZ 4.35Å; A3153-F3173 HydrophobicContact CB-CD1 3.68Å; A3153-F3173 HydrophobicContact CB-CE1 3.78Å; A3153-F3173 HydrophobicContact CB-CG 4.18Å; A3153-F3173 HydrophobicContact CB-CZ 4.38Å; H3171-F3173 HydrophobicContact CB-CD2 4.26Å; H3171-F3173 HydrophobicContact CB-CE2 3.49Å; H3171-F3173 VanDerWaalsContact CB-CE2 3.49Å; H3171-F3173 HydrophobicContact CB-CZ 3.94Å; F3173-F3178 AromaticContact CD1-CD1 3.84Å; F3173-F3178 HydrophobicContact CD1-CD1 3.84Å; F3173-F3178 HydrophobicContact CD1-CE1 4.32Å; F3173-F3178 HydrophobicContact CD2-CD1 4.33Å; F3173-F3178 HydrophobicContact CD2-CE1 4.19Å; F3173-F3178 AromaticContact CE1-CD1 3.7Å; F3173-F3178 HydrophobicContact CE1-CD1 3.7Å; F3173-F3178 AromaticContact CE1-CE1 3.89Å; F3173-F3178 HydrophobicContact CE1-CE1 3.89Å; F3173-F3178 HydrophobicContact CE2-CD1 4.2Å; F3173-F3178 AromaticContact CE2-CE1 3.72Å; F3173-F3178 HydrophobicContact CE2-CE1 3.72Å; F3173-F3178 HydrophobicContact CG-CD1 4.17Å; F3173-F3178 HydrophobicContact CG-CE1 4.48Å; F3173-F3178 AromaticContact CZ-CD1 3.89Å; F3173-F3178 HydrophobicContact CZ-CD1 3.89Å; F3173-F3178 AromaticContact CZ-CE1 3.57Å; F3173-F3178 HydrophobicContact CZ-CE1 3.57Å; F3173-F3178 HydrophobicContact CZ-CZ 4.43Å; F3173-V3202 CarbonylContact O-C 3.46Å; F3173-V3202 WeakPolarHBondContact O-CA 3.23Å; F3173-V3202 WeakPolarHBondContact O-CB 3.37Å; F3173-L3203 HydrophobicContact CB-CB 4.32Å; F3173-L3203 PolarHBondContact N-O 3.15Å; F3173-L3203 PolarHBondContact O-N 3.48Å; F3173-V3205 HydrophobicContact CD2-CG2 4.28Å; F3173-V3205 HydrophobicContact CE2-CB 4.37Å; F3173-V3205 HydrophobicContact CE2-CG2 4.07Å
3174	P	97.9	Very high	95	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.			trans	-66.7	168.4	163.2	33.2	-36.8	0	0	0	110.6	L3092 M3147 L3148 C3176 S3179	L3092-P3174 HydrophobicContact CD1-CG 4.36Å; M3147-P3174 HydrophobicContact CB-CB 3.89Å; M3147-P3174 HydrophobicContact CB-CG 3.73Å; M3147-P3174 HydrophobicContact CE-CB 4.27Å; L3148-P3174 HydrophobicContact CD2-CB 3.84Å; L3148-P3174 HydrophobicContact CD2-CG 3.88Å; L3148-P3174 HydrophobicContact CG-CB 3.87Å; L3148-P3174 HydrophobicContact CG-CG 4.26Å; P3174-C3176 PolarHBondContact O-N 3.38Å; P3174-C3176 PolarHBondContact O-SG 2.86Å; P3174-S3179 PolarHBondContact O-OG 3.04Å
3175	P	96.6	Very high	95.7	Very high	42 Å²	42	39.9 Å²	39.9	27%	0.273	21%	0.21	S	C	.	.	S	Bend	trans	-58.5	96.8	170.5	-24.5	36.1	0	0	0	112	I3144 H3201	I3144-P3175 HydrophobicContact CG2-CG 4.48Å; P3175-H3201 WeakPolarHBondContact CD-O 3.49Å; P3175-H3201 WeakPolarHBondContact CG-O 3.37Å
3176	C	96.3	Very high	95.9	Very high	15 Å²	15	36.9 Å²	36.9	10%	0.101	20%	0.201	C	C	.	.			trans	-135.3	176.7	-173.9	63.4	0	0	0	0	110.6	L3092 P3174 F3178 S3179 R3180	L3092-C3176 HydrophobicContact CD1-CB 4.06Å; P3174-C3176 PolarHBondContact O-N 3.38Å; P3174-C3176 PolarHBondContact O-SG 2.86Å; C3176-F3178 VanDerWaalsContact C-N 3.33Å; C3176-F3178 PolarHBondContact O-N 3.09Å; C3176-S3179 PolarHBondContact N-OG 2.8Å; C3176-S3179 PolarHBondContact O-N 3.31Å; C3176-S3179 PolarHBondContact O-OG 2.84Å; C3176-R3180 WeakPolarHBondContact O-CB 3.27Å; C3176-R3180 WeakPolarHBondContact O-CG 3.27Å; C3176-R3180 PolarHBondContact O-N 3.3Å
3177	E	96.5	Very high	96.2	Very high	117 Å²	117	33.5 Å²	33.5	55%	0.547	18%	0.183	S	C	.	.	H	α-helix	trans	-55.9	-48.7	180	-162.5	62.2	-118	0	0	111.5	S3179 R3180 C3181	E3177-S3179 PolarHBondContact O-N 3.06Å; E3177-R3180 PolarHBondContact O-N 2.86Å; E3177-R3180 IonicContact OE1-CZ 3.74Å; E3177-R3180 IonicContact OE1-NH1 3.4Å; E3177-R3180 PolarHBondContact OE1-NH1 3.01Å; E3177-R3180 IonicContact OE1-NH2 2.65Å; E3177-R3180 IonicContact OE2-CZ 2.75Å; E3177-R3180 IonicContact OE2-NH1 2.93Å; E3177-R3180 PolarHBondContact OE2-NH1 2.94Å; E3177-R3180 IonicContact OE2-NH2 3.29Å; E3177-R3180 PolarHBondContact OE2-NH2 3.14Å; E3177-C3181 PolarHBondContact O-N 3.05Å; E3177-C3181 PolarHBondContact O-SG 2.83Å
3178	F	97.5	Very high	96.2	Very high	20 Å²	20	33.8 Å²	33.8	9%	0.088	19%	0.189	C	C	.	.	H	α-helix	trans	-57.5	-49.1	178.3	179.9	-100.1	0	0	0	112.6	L3097 V3100 Q3101 L3104 F3173 C3176 R3180 C3181 Q3182	L3097-F3178 HydrophobicContact CB-CD2 4.35Å; L3097-F3178 HydrophobicContact CD1-CB 4.26Å; L3097-F3178 HydrophobicContact CD2-CB 4.05Å; L3097-F3178 HydrophobicContact CD2-CD1 4.19Å; L3097-F3178 HydrophobicContact CD2-CD2 4.08Å; L3097-F3178 HydrophobicContact CD2-CG 3.85Å; V3100-F3178 HydrophobicContact CB-CZ 4.3Å; V3100-F3178 HydrophobicContact CG1-CE1 4.33Å; V3100-F3178 HydrophobicContact CG1-CZ 3.93Å; Q3101-F3178 HydrophobicContact CB-CE2 4.3Å; L3104-F3178 HydrophobicContact CD1-CE1 4.45Å; L3104-F3178 HydrophobicContact CD1-CE2 4.45Å; L3104-F3178 HydrophobicContact CD1-CZ 3.69Å; F3173-F3178 AromaticContact CD1-CD1 3.84Å; F3173-F3178 HydrophobicContact CD1-CD1 3.84Å; F3173-F3178 HydrophobicContact CD1-CE1 4.32Å; F3173-F3178 HydrophobicContact CD2-CD1 4.33Å; F3173-F3178 HydrophobicContact CD2-CE1 4.19Å; F3173-F3178 AromaticContact CE1-CD1 3.7Å; F3173-F3178 HydrophobicContact CE1-CD1 3.7Å; F3173-F3178 AromaticContact CE1-CE1 3.89Å; F3173-F3178 HydrophobicContact CE1-CE1 3.89Å; F3173-F3178 HydrophobicContact CE2-CD1 4.2Å; F3173-F3178 AromaticContact CE2-CE1 3.72Å; F3173-F3178 HydrophobicContact CE2-CE1 3.72Å; F3173-F3178 HydrophobicContact CG-CD1 4.17Å; F3173-F3178 HydrophobicContact CG-CE1 4.48Å; F3173-F3178 AromaticContact CZ-CD1 3.89Å; F3173-F3178 HydrophobicContact CZ-CD1 3.89Å; F3173-F3178 AromaticContact CZ-CE1 3.57Å; F3173-F3178 HydrophobicContact CZ-CE1 3.57Å; F3173-F3178 HydrophobicContact CZ-CZ 4.43Å; C3176-F3178 VanDerWaalsContact C-N 3.33Å; C3176-F3178 PolarHBondContact O-N 3.09Å; F3178-R3180 VanDerWaalsContact C-N 3.35Å; F3178-R3180 PolarHBondContact O-N 3.23Å; F3178-C3181 PolarHBondContact O-N 2.83Å; F3178-Q3182 HydrophobicContact CD1-CG 4.34Å; F3178-Q3182 HydrophobicContact CE1-CG 3.98Å; F3178-Q3182 HydrophobicContact CE2-CG 4.33Å; F3178-Q3182 HydrophobicContact CZ-CG 3.99Å; F3178-Q3182 WeakPolarHBondContact O-CG 3.41Å; F3178-Q3182 PolarHBondContact O-N 3.46Å
3179	S	96.9	Very high	95.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68	-35.1	-178.1	72.7	0	0	0	0	112.3	P3174 C3176 E3177 L3183	P3174-S3179 PolarHBondContact O-OG 3.04Å; C3176-S3179 PolarHBondContact N-OG 2.8Å; C3176-S3179 PolarHBondContact O-N 3.31Å; C3176-S3179 PolarHBondContact O-OG 2.84Å; E3177-S3179 PolarHBondContact O-N 3.06Å; S3179-L3183 WeakPolarHBondContact O-CB 3.28Å; S3179-L3183 WeakPolarHBondContact O-CG 3.17Å; S3179-L3183 PolarHBondContact O-N 2.9Å
3180	R	95.6	Very high	95.7	Very high	83 Å²	83	34.8 Å²	34.8	31%	0.313	21%	0.205	S	C	.	.	H	α-helix	trans	-64.7	-45.5	172.6	-72.1	-168	-81.1	90.6	-2.4	111.4	C3176 E3177 F3178 Q3182 L3183 Q3184 Y3191	C3176-R3180 WeakPolarHBondContact O-CB 3.27Å; C3176-R3180 WeakPolarHBondContact O-CG 3.27Å; C3176-R3180 PolarHBondContact O-N 3.3Å; E3177-R3180 PolarHBondContact O-N 2.86Å; E3177-R3180 IonicContact OE1-CZ 3.74Å; E3177-R3180 IonicContact OE1-NH1 3.4Å; E3177-R3180 PolarHBondContact OE1-NH1 3.01Å; E3177-R3180 IonicContact OE1-NH2 2.65Å; E3177-R3180 IonicContact OE2-CZ 2.75Å; E3177-R3180 IonicContact OE2-NH1 2.93Å; E3177-R3180 PolarHBondContact OE2-NH1 2.94Å; E3177-R3180 IonicContact OE2-NH2 3.29Å; E3177-R3180 PolarHBondContact OE2-NH2 3.14Å; F3178-R3180 VanDerWaalsContact C-N 3.35Å; F3178-R3180 PolarHBondContact O-N 3.23Å; R3180-Q3182 PolarHBondContact O-N 3.32Å; R3180-L3183 PolarHBondContact O-N 3.07Å; R3180-Q3184 VanDerWaalsContact O-CB 3.25Å; R3180-Q3184 WeakPolarHBondContact O-CB 3.46Å; R3180-Q3184 PolarHBondContact O-N 3.04Å; R3180-Y3191 HydrophobicContact CB-CE2 4.14Å; R3180-Y3191 WeakPolarHBondContact CD-OH 3.49Å; R3180-Y3191 HydrophobicContact CG-CE2 3.88Å
3181	C	95.8	Very high	95.4	Very high	60 Å²	60	36.9 Å²	36.9	41%	0.405	21%	0.213	S	C	.	.	H	α-helix	trans	-59.8	-45.5	175.8	-66.7	0	0	0	0	112.4	E3177 F3178 A3185	E3177-C3181 PolarHBondContact O-N 3.05Å; E3177-C3181 PolarHBondContact O-SG 2.83Å; F3178-C3181 PolarHBondContact O-N 2.83Å; C3181-A3185 VanDerWaalsContact O-CB 3.27Å; C3181-A3185 WeakPolarHBondContact O-CB 3.39Å; C3181-A3185 PolarHBondContact O-N 3.44Å
3182	Q	96.7	Very high	95.1	Very high	15 Å²	15	42.2 Å²	42.2	7%	0.07	24%	0.238	C	C	.	.	H	α-helix	trans	-64.4	-45.8	177.6	-59	-42.2	-45.5	0	0	111.9	L3104 M3112 F3178 R3180 A3185 C3186 L3203	L3104-Q3182 HydrophobicContact CD1-CG 3.91Å; M3112-Q3182 HydrophobicContact CE-CB 3.89Å; M3112-Q3182 HydrophobicContact CE-CG 4.09Å; M3112-Q3182 HydrophobicContact SD-CB 4.07Å; F3178-Q3182 HydrophobicContact CD1-CG 4.34Å; F3178-Q3182 HydrophobicContact CE1-CG 3.98Å; F3178-Q3182 HydrophobicContact CE2-CG 4.33Å; F3178-Q3182 HydrophobicContact CZ-CG 3.99Å; F3178-Q3182 WeakPolarHBondContact O-CG 3.41Å; F3178-Q3182 PolarHBondContact O-N 3.46Å; R3180-Q3182 PolarHBondContact O-N 3.32Å; Q3182-A3185 PolarHBondContact O-N 2.8Å; Q3182-C3186 WeakPolarHBondContact O-CB 3.48Å; Q3182-C3186 PolarHBondContact O-N 3.11Å; Q3182-L3203 HydrophobicContact CB-CD2 3.92Å; Q3182-L3203 HydrophobicContact CG-CD2 4.3Å
3183	L	95.1	Very high	94.7	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-41.3	179.4	-74.9	171.3	0	0	0	112.1	L3114 S3179 R3180 A3185 A3187 Y3191 L3194 L3203	L3114-L3183 HydrophobicContact CD1-CD1 4.23Å; L3114-L3183 HydrophobicContact CD1-CD2 4.44Å; S3179-L3183 WeakPolarHBondContact O-CB 3.28Å; S3179-L3183 WeakPolarHBondContact O-CG 3.17Å; S3179-L3183 PolarHBondContact O-N 2.9Å; R3180-L3183 PolarHBondContact O-N 3.07Å; L3183-A3185 VanDerWaalsContact C-N 3.31Å; L3183-A3185 PolarHBondContact O-N 3.08Å; L3183-A3187 CarbonylContact O-C 3.4Å; L3183-A3187 WeakPolarHBondContact O-CA 3.36Å; L3183-A3187 PolarHBondContact O-N 3.09Å; L3183-Y3191 HydrophobicContact CB-CD2 4.11Å; L3183-Y3191 HydrophobicContact CB-CG 4.42Å; L3183-L3194 HydrophobicContact CD1-CD2 4.22Å; L3183-L3203 HydrophobicContact CD2-CD1 3.92Å; L3183-L3203 HydrophobicContact CG-CD1 4.14Å
3184	Q	95.5	Very high	94.3	Very high	108 Å²	108	43.8 Å²	43.8	51%	0.505	25%	0.248	S	C	.	.	H	α-helix	trans	-66.6	-31.3	176.2	-171.6	175.7	-3.8	0	0	112.6	R3180 Y3191	R3180-Q3184 VanDerWaalsContact O-CB 3.25Å; R3180-Q3184 WeakPolarHBondContact O-CB 3.46Å; R3180-Q3184 PolarHBondContact O-N 3.04Å; Q3184-Y3191 HydrophobicContact CB-CD1 3.92Å; Q3184-Y3191 HydrophobicContact CB-CE1 4.21Å; Q3184-Y3191 HydrophobicContact CB-CG 4.39Å; Q3184-Y3191 HydrophobicContact CG-CD1 4.14Å; Q3184-Y3191 HydrophobicContact CG-CE1 4.37Å
3185	A	94.6	Very high	93.8	Very high	78 Å²	78	46.7 Å²	46.7	65%	0.645	27%	0.273	S	S	*	.	H	α-helix	trans	-81	-40.2	177.8	0	0	0	0	0	113.6	C3181 Q3182 L3183	C3181-A3185 VanDerWaalsContact O-CB 3.27Å; C3181-A3185 WeakPolarHBondContact O-CB 3.39Å; C3181-A3185 PolarHBondContact O-N 3.44Å; Q3182-A3185 PolarHBondContact O-N 2.8Å; L3183-A3185 VanDerWaalsContact C-N 3.31Å; L3183-A3185 PolarHBondContact O-N 3.08Å
3186	C	93.3	Very high	93.5	Very high	56 Å²	56	52.3 Å²	52.3	38%	0.378	30%	0.295	S	S	.	.	H	α-helix	trans	-91	-33.3	-176.6	-67	0	0	0	0	114.1	V3037 Q3182	V3037-C3186 HydrophobicContact CG1-CB 4.12Å; Q3182-C3186 WeakPolarHBondContact O-CB 3.48Å; Q3182-C3186 PolarHBondContact O-N 3.11Å
3187	A	93	Very high	93	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	30%	0.302	C	S	.	.			trans	-148.9	63.8	-171.7	0	0	0	0	0	111.7	Y3015 V3037 L3183 A3189 L3190 Y3191	Y3015-A3187 HydrophobicContact CE1-CB 3.81Å; V3037-A3187 HydrophobicContact CG1-CB 3.97Å; L3183-A3187 CarbonylContact O-C 3.4Å; L3183-A3187 WeakPolarHBondContact O-CA 3.36Å; L3183-A3187 PolarHBondContact O-N 3.09Å; A3187-A3189 VanDerWaalsContact C-N 3.31Å; A3187-A3189 PolarHBondContact O-N 2.85Å; A3187-L3190 HydrophobicContact CB-CB 3.9Å; A3187-L3190 HydrophobicContact CB-CD2 4.1Å; A3187-L3190 WeakPolarHBondContact O-CB 3.48Å; A3187-L3190 PolarHBondContact O-N 3.15Å; A3187-Y3191 PolarHBondContact O-N 2.67Å
3188	P	93.1	Very high	92.6	Very high	64 Å²	64	53.1 Å²	53.1	42%	0.416	31%	0.31	S	S	.	.	H	α-helix	trans	-59.2	-37.1	-173.9	21.3	-32.8	0	0	0	113.6	Y3191 H3192	P3188-Y3191 PolarHBondContact O-N 2.89Å; P3188-H3192 PolarHBondContact O-CD2 3.22Å; P3188-H3192 PolarHBondContact O-N 2.87Å
3189	A	91	Very high	92.3	Very high	60 Å²	60	53.5 Å²	53.5	50%	0.496	31%	0.313	S	S	.	.	H	α-helix	trans	-61.8	-48.4	176.6	0	0	0	0	0	111.7	A3187 Y3191 H3192 S3193	A3187-A3189 VanDerWaalsContact C-N 3.31Å; A3187-A3189 PolarHBondContact O-N 2.85Å; A3189-Y3191 VanDerWaalsContact C-N 3.33Å; A3189-Y3191 PolarHBondContact O-N 2.86Å; A3189-H3192 PolarHBondContact O-N 2.95Å; A3189-S3193 PolarHBondContact O-N 3.43Å; A3189-S3193 PolarHBondContact O-OG 2.99Å
3190	L	91.3	Very high	92.2	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.016	32%	0.322	C	S	.	.	H	α-helix	trans	-57.9	-45.2	173.9	179.6	63	0	0	0	111.2	I3012 Y3015 V3037 L3114 A3187 H3192 S3193 L3194	I3012-L3190 HydrophobicContact CG1-CD1 3.67Å; Y3015-L3190 HydrophobicContact CD1-CD2 3.9Å; Y3015-L3190 HydrophobicContact CD2-CB 4.48Å; Y3015-L3190 HydrophobicContact CD2-CD1 4.16Å; Y3015-L3190 HydrophobicContact CD2-CD2 4.09Å; Y3015-L3190 HydrophobicContact CD2-CG 4.49Å; Y3015-L3190 HydrophobicContact CE1-CD2 3.96Å; Y3015-L3190 HydrophobicContact CE2-CB 3.9Å; Y3015-L3190 HydrophobicContact CE2-CD1 4.36Å; Y3015-L3190 HydrophobicContact CE2-CD2 4.2Å; Y3015-L3190 HydrophobicContact CE2-CG 4.39Å; Y3015-L3190 HydrophobicContact CG-CD2 3.98Å; V3037-L3190 HydrophobicContact CG2-CD2 4.18Å; L3114-L3190 HydrophobicContact CD2-CD1 3.96Å; L3114-L3190 HydrophobicContact CD2-CD2 3.9Å; L3114-L3190 HydrophobicContact CD2-CG 4.09Å; A3187-L3190 HydrophobicContact CB-CB 3.9Å; A3187-L3190 HydrophobicContact CB-CD2 4.1Å; A3187-L3190 WeakPolarHBondContact O-CB 3.48Å; A3187-L3190 PolarHBondContact O-N 3.15Å; L3190-H3192 PolarHBondContact O-N 3.37Å; L3190-S3193 PolarHBondContact O-N 2.92Å; L3190-L3194 WeakPolarHBondContact O-CB 3.26Å; L3190-L3194 PolarHBondContact O-N 3.38Å
3191	Y	92.2	Very high	92.2	Very high	45 Å²	45	52 Å²	52	18%	0.176	31%	0.312	C	S	.	.	H	α-helix	trans	-59.6	-43.6	177.5	177	-115.8	0	0	0	112.8	R3180 L3183 Q3184 A3187 P3188 A3189 L3194 A3195	R3180-Y3191 HydrophobicContact CB-CE2 4.14Å; R3180-Y3191 WeakPolarHBondContact CD-OH 3.49Å; R3180-Y3191 HydrophobicContact CG-CE2 3.88Å; L3183-Y3191 HydrophobicContact CB-CD2 4.11Å; L3183-Y3191 HydrophobicContact CB-CG 4.42Å; Q3184-Y3191 HydrophobicContact CB-CD1 3.92Å; Q3184-Y3191 HydrophobicContact CB-CE1 4.21Å; Q3184-Y3191 HydrophobicContact CB-CG 4.39Å; Q3184-Y3191 HydrophobicContact CG-CD1 4.14Å; Q3184-Y3191 HydrophobicContact CG-CE1 4.37Å; A3187-Y3191 PolarHBondContact O-N 2.67Å; P3188-Y3191 PolarHBondContact O-N 2.89Å; A3189-Y3191 VanDerWaalsContact C-N 3.33Å; A3189-Y3191 PolarHBondContact O-N 2.86Å; Y3191-L3194 PolarHBondContact O-N 3.23Å; Y3191-A3195 WeakPolarHBondContact O-CB 3.29Å; Y3191-A3195 PolarHBondContact O-N 3.36Å
3192	H	91.1	Very high	92.3	Very high	118 Å²	118	49.2 Å²	49.2	55%	0.546	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-49.2	176	-73.9	-59.7	0	0	0	112.1	P3188 A3189 L3190 L3194 A3195 E3196	P3188-H3192 PolarHBondContact O-CD2 3.22Å; P3188-H3192 PolarHBondContact O-N 2.87Å; A3189-H3192 PolarHBondContact O-N 2.95Å; L3190-H3192 PolarHBondContact O-N 3.37Å; H3192-L3194 VanDerWaalsContact C-N 3.27Å; H3192-L3194 PolarHBondContact O-N 3.31Å; H3192-A3195 PolarHBondContact O-N 3.29Å; H3192-E3196 WeakPolarHBondContact O-CB 3.21Å; H3192-E3196 PolarHBondContact O-N 3.48Å
3193	S	90.3	Very high	92.4	Very high	29 Å²	29	48.5 Å²	48.5	20%	0.203	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-36.6	177.4	-59.2	0	0	0	0	112.5	L3010 A3189 L3190 N3197	L3010-S3193 WeakPolarHBondContact O-CB 3.4Å; L3010-S3193 PolarHBondContact O-OG 2.81Å; A3189-S3193 PolarHBondContact O-N 3.43Å; A3189-S3193 PolarHBondContact O-OG 2.99Å; L3190-S3193 PolarHBondContact O-N 2.92Å; S3193-N3197 WeakPolarHBondContact O-CB 3.41Å; S3193-N3197 PolarHBondContact O-N 3.45Å; S3193-N3197 VanDerWaalsContact O-N 3.09Å; S3193-N3197 PolarHBondContact O-ND2 2.86Å
3194	L	90.5	Very high	92.5	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-70.9	-35.6	179.5	-159.3	71.1	0	0	0	112.6	L3114 L3116 L3183 L3190 Y3191 H3192 S3198 I3199 H3201	L3114-L3194 HydrophobicContact CD1-CD2 3.89Å; L3114-L3194 HydrophobicContact CD2-CD1 4.03Å; L3114-L3194 HydrophobicContact CD2-CD2 3.98Å; L3116-L3194 HydrophobicContact CD2-CD1 4.4Å; L3183-L3194 HydrophobicContact CD1-CD2 4.22Å; L3190-L3194 WeakPolarHBondContact O-CB 3.26Å; L3190-L3194 PolarHBondContact O-N 3.38Å; Y3191-L3194 PolarHBondContact O-N 3.23Å; H3192-L3194 VanDerWaalsContact C-N 3.27Å; H3192-L3194 PolarHBondContact O-N 3.31Å; L3194-S3198 PolarHBondContact O-N 2.99Å; L3194-I3199 HydrophobicContact CD1-CB 3.94Å; L3194-I3199 HydrophobicContact CD1-CG2 4.26Å; L3194-I3199 PolarHBondContact O-N 2.93Å; L3194-H3201 HydrophobicContact CD1-CB 4.45Å; L3194-H3201 HydrophobicContact CD2-CB 4.31Å
3195	A	87.4	Confident	92.6	Very high	62 Å²	62	43.3 Å²	43.3	51%	0.512	27%	0.266	S	S	.	.	H	α-helix	trans	-73.9	-42.9	174.7	0	0	0	0	0	112.5	Y3191 H3192 S3198	Y3191-A3195 WeakPolarHBondContact O-CB 3.29Å; Y3191-A3195 PolarHBondContact O-N 3.36Å; H3192-A3195 PolarHBondContact O-N 3.29Å; A3195-S3198 PolarHBondContact O-N 3.33Å
3196	E	89.1	Confident	92.8	Very high	159 Å²	159	39.7 Å²	39.7	74%	0.743	24%	0.235	S	C	*	.	H	α-helix	trans	-62.5	-42.9	177.5	179.9	179.5	-151	0	0	112.1	H3192	H3192-E3196 WeakPolarHBondContact O-CB 3.21Å; H3192-E3196 PolarHBondContact O-N 3.48Å
3197	N	86.2	Confident	92.9	Very high	46 Å²	46	37 Å²	37	25%	0.246	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	3.5	-176	-65.5	-97.4	0	0	0	113.3	L3010 S3193 I3199	L3010-N3197 HydrophobicContact CD2-CB 3.57Å; L3010-N3197 VanDerWaalsContact CD2-CG 3.45Å; L3010-N3197 WeakPolarHBondContact CD2-ND2 3.5Å; S3193-N3197 WeakPolarHBondContact O-CB 3.41Å; S3193-N3197 PolarHBondContact O-N 3.45Å; S3193-N3197 VanDerWaalsContact O-N 3.09Å; S3193-N3197 PolarHBondContact O-ND2 2.86Å; N3197-I3199 VanDerWaalsContact C-N 3.25Å; N3197-I3199 HydrophobicContact CB-CD1 4.14Å; N3197-I3199 HydrophobicContact CB-CG1 3.95Å; N3197-I3199 WeakPolarHBondContact O-CG1 3.09Å; N3197-I3199 PolarHBondContact O-N 3.05Å; N3197-I3199 VanDerWaalsContact O-N 3.13Å
3198	S	88.3	Confident	93	Very high	103 Å²	103	38.5 Å²	38.5	72%	0.72	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	38	176.7	-172.8	0	0	0	0	115	L3194 A3195	L3194-S3198 PolarHBondContact O-N 2.99Å; A3195-S3198 PolarHBondContact O-N 3.33Å
3199	I	91.4	Very high	92.9	Very high	28 Å²	28	40.6 Å²	40.6	14%	0.144	24%	0.238	C	C	.	.			trans	-76.5	132.6	-170.1	-65.3	-173	0	0	0	111.9	V3005 L3010 L3116 L3194 N3197 H3201	V3005-I3199 HydrophobicContact CB-CD1 4.4Å; L3010-I3199 HydrophobicContact CD1-CD1 3.33Å; L3010-I3199 HydrophobicContact CD2-CD1 3.5Å; L3010-I3199 VanDerWaalsContact CD2-CD1 3.5Å; L3010-I3199 HydrophobicContact CG-CD1 4.05Å; L3116-I3199 HydrophobicContact CD2-CG2 4.03Å; L3194-I3199 HydrophobicContact CD1-CB 3.94Å; L3194-I3199 HydrophobicContact CD1-CG2 4.26Å; L3194-I3199 PolarHBondContact O-N 2.93Å; N3197-I3199 VanDerWaalsContact C-N 3.25Å; N3197-I3199 HydrophobicContact CB-CD1 4.14Å; N3197-I3199 HydrophobicContact CB-CG1 3.95Å; N3197-I3199 WeakPolarHBondContact O-CG1 3.09Å; N3197-I3199 PolarHBondContact O-N 3.05Å; N3197-I3199 VanDerWaalsContact O-N 3.13Å; I3199-H3201 PolarHBondContact O-N 3.14Å; I3199-H3201 PolarHBondContact O-ND1 3.04Å
3200	P	94.8	Very high	93	Very high	30 Å²	30	39.7 Å²	39.7	20%	0.195	23%	0.225	C	C	.	.			trans	-59.9	121	172.2	-24.7	36.1	0	0	0	112.1	N3136 L3139 C3140 I3144	N3136-P3200 HydrophobicContact CB-CG 4.43Å; L3139-P3200 HydrophobicContact CD2-CB 4.13Å; C3140-P3200 VanDerWaalsContact SG-CB 3.59Å; C3140-P3200 WeakPolarHBondContact SG-CG 3.43Å; I3144-P3200 HydrophobicContact CD1-CB 4.25Å
3201	H	95.4	Very high	93.1	Very high	23 Å²	23	41.6 Å²	41.6	11%	0.106	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	156.4	-177	65.5	-87.1	0	0	0	111.8	L3114 T3115 L3116 I3144 P3175 L3194 I3199	L3114-H3201 HydrophobicContact CD1-CB 3.81Å; T3115-H3201 WeakPolarHBondContact O-CA 3.43Å; L3116-H3201 HydrophobicContact CD2-CB 3.6Å; I3144-H3201 WeakPolarHBondContact CD1-O 3.17Å; P3175-H3201 WeakPolarHBondContact CD-O 3.49Å; P3175-H3201 WeakPolarHBondContact CG-O 3.37Å; L3194-H3201 HydrophobicContact CD1-CB 4.45Å; L3194-H3201 HydrophobicContact CD2-CB 4.31Å; I3199-H3201 PolarHBondContact O-N 3.14Å; I3199-H3201 PolarHBondContact O-ND1 3.04Å
3202	V	97.8	Very high	93.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.2	165	-60.7	0	0	0	0	109.3	T3115 L3139 I3144 M3147 I3172 F3173	T3115-V3202 WeakPolarHBondContact CB-O 3.33Å; T3115-V3202 HydrophobicContact CG2-CG2 4.1Å; T3115-V3202 PolarHBondContact N-O 3.41Å; T3115-V3202 PolarHBondContact O-N 3.41Å; L3139-V3202 HydrophobicContact CD1-CG1 4.21Å; I3144-V3202 HydrophobicContact CD1-CG1 4.29Å; I3144-V3202 HydrophobicContact CG1-CG1 3.67Å; M3147-V3202 HydrophobicContact CE-CG1 3.8Å; I3172-V3202 HydrophobicContact CG2-CB 4.02Å; I3172-V3202 HydrophobicContact CG2-CG2 3.71Å; F3173-V3202 CarbonylContact O-C 3.46Å; F3173-V3202 WeakPolarHBondContact O-CA 3.23Å; F3173-V3202 WeakPolarHBondContact O-CB 3.37Å
3203	L	98.1	Very high	93.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.1	177.3	-175.9	69.7	0	0	0	108.7	M3112 F3173 Q3182 L3183 V3205	M3112-L3203 HydrophobicContact CG-CD1 3.73Å; M3112-L3203 HydrophobicContact CG-CG 4.34Å; M3112-L3203 HydrophobicContact SD-CD1 4.06Å; M3112-L3203 HydrophobicContact SD-CD2 4.33Å; F3173-L3203 HydrophobicContact CB-CB 4.32Å; F3173-L3203 PolarHBondContact N-O 3.15Å; F3173-L3203 PolarHBondContact O-N 3.48Å; Q3182-L3203 HydrophobicContact CB-CD2 3.92Å; Q3182-L3203 HydrophobicContact CG-CD2 4.3Å; L3183-L3203 HydrophobicContact CD2-CD1 3.92Å; L3183-L3203 HydrophobicContact CG-CD1 4.14Å; L3203-V3205 HydrophobicContact CG-CG2 4.42Å
3204	T	98.1	Very high	93.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.7	178.3	-62.9	0	0	0	0	109.2	M3034 M3112 C3113 T3115 I3170 H3171 I3172 I3206	M3034-T3204 HydrophobicContact CE-CG2 3.98Å; M3034-T3204 HydrophobicContact SD-CG2 4.34Å; M3112-T3204 WeakPolarHBondContact CA-O 3.4Å; C3113-T3204 PolarHBondContact N-O 2.9Å; C3113-T3204 PolarHBondContact O-N 3.39Å; T3115-T3204 WeakPolarHBondContact OG1-CB 3.24Å; T3115-T3204 PolarHBondContact OG1-OG1 2.79Å; I3170-T3204 HydrophobicContact CG2-CG2 3.54Å; H3171-T3204 CarbonylContact O-C 3.5Å; H3171-T3204 WeakPolarHBondContact O-CA 3.5Å; I3172-T3204 HydrophobicContact CG1-CG2 4.37Å; T3204-I3206 HydrophobicContact CG2-CD1 4.07Å
3205	V	97.9	Very high	93.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114.1	174.3	-175.5	0	0	0	0	108.3	V3100 L3104 F3110 C3111 M3112 H3171 F3173 L3203 T3207	V3100-V3205 HydrophobicContact CG1-CG1 4.47Å; L3104-V3205 HydrophobicContact CD2-CG1 3.7Å; F3110-V3205 HydrophobicContact CB-CG1 4.43Å; C3111-V3205 CarbonylContact O-C 3.59Å; C3111-V3205 WeakPolarHBondContact O-CA 3.32Å; M3112-V3205 HydrophobicContact CG-CG2 4.3Å; H3171-V3205 HydrophobicContact CB-CB 4.46Å; H3171-V3205 PolarHBondContact CD2-O 3.01Å; H3171-V3205 PolarHBondContact N-O 3.23Å; H3171-V3205 PolarHBondContact O-N 2.73Å; F3173-V3205 HydrophobicContact CD2-CG2 4.28Å; F3173-V3205 HydrophobicContact CE2-CB 4.37Å; F3173-V3205 HydrophobicContact CE2-CG2 4.07Å; L3203-V3205 HydrophobicContact CG-CG2 4.42Å; V3205-T3207 HydrophobicContact CG1-CG2 3.94Å
3206	I	97.5	Very high	94.1	Very high	1 Å²	1	38 Å²	38	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.9	168.2	-53.1	88.2	0	0	0	107	L3044 C3047 F3110 C3111 V3169 I3170 T3204	L3044-I3206 HydrophobicContact CB-CD1 4.45Å; L3044-I3206 HydrophobicContact CD1-CD1 3.87Å; L3044-I3206 HydrophobicContact CD1-CG1 4.06Å; C3047-I3206 HydrophobicContact CB-CG2 4.27Å; F3110-I3206 CarbonylContact C-O 3.6Å; F3110-I3206 WeakPolarHBondContact CA-O 3.27Å; C3111-I3206 HydrophobicContact CB-CB 4.3Å; C3111-I3206 HydrophobicContact CB-CD1 4.15Å; C3111-I3206 PolarHBondContact N-O 3.23Å; C3111-I3206 PolarHBondContact O-N 2.79Å; V3169-I3206 WeakPolarHBondContact O-CA 3.22Å; I3170-I3206 HydrophobicContact CG1-CG1 4.17Å; I3170-I3206 HydrophobicContact CG1-CG2 4.48Å; I3170-I3206 HydrophobicContact CG2-CG1 4.36Å; T3204-I3206 HydrophobicContact CG2-CD1 4.07Å
3207	T	97	Very high	94.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.9	173.4	59.8	0	0	0	0	111.2	K3103 D3109 F3110 Y3168 V3169 H3171 V3205	K3103-T3207 HydrophobicContact CB-CG2 4.02Å; K3103-T3207 HydrophobicContact CD-CG2 4.14Å; D3109-T3207 CarbonylContact O-C 3.57Å; D3109-T3207 WeakPolarHBondContact O-CA 3.41Å; F3110-T3207 HydrophobicContact CB-CG2 4.27Å; Y3168-T3207 CarbonylContact C-O 3.58Å; Y3168-T3207 VanDerWaalsContact CA-O 3.23Å; Y3168-T3207 WeakPolarHBondContact CA-O 3.43Å; V3169-T3207 PolarHBondContact N-O 2.93Å; V3169-T3207 PolarHBondContact O-N 2.74Å; V3169-T3207 PolarHBondContact O-OG1 3.31Å; H3171-T3207 PolarHBondContact NE2-OG1 3.46Å; V3205-T3207 HydrophobicContact CG1-CG2 3.94Å
3208	T	95	Very high	95.2	Very high	31 Å²	31	27.3 Å²	27.3	19%	0.19	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	157	157.7	52	0	0	0	0	110.1	L3043 K3103 D3109 Y3168	L3043-T3208 HydrophobicContact CD1-CG2 4.49Å; L3043-T3208 HydrophobicContact CD2-CG2 3.76Å; K3103-T3208 WeakPolarHBondContact CD-O 3.22Å; K3103-T3208 PolarHBondContact NZ-O 3.48Å; D3109-T3208 VanDerWaalsContact CB-OG1 3.29Å; D3109-T3208 WeakPolarHBondContact CB-OG1 3.18Å; D3109-T3208 PolarHBondContact O-N 3.07Å; D3109-T3208 PolarHBondContact O-OG1 2.88Å; D3109-T3208 PolarHBondContact OD1-OG1 3.31Å; Y3168-T3208 HydrophobicContact CD1-CG2 4.32Å; Y3168-T3208 HydrophobicContact CE1-CG2 4.21Å
3209	V	91.2	Very high	95.8	Very high	109 Å²	109	20.4 Å²	20.4	66%	0.661	12%	0.119	S	C	*	.			trans	-90.5	0	-178	170.5	0	0	0	0	112.2	K3103 N3166 L3167 V3169	K3103-V3209 PolarHBondContact NZ-OXT 3.01Å; N3166-V3209 HydrophobicContact CB-CG1 4.24Å; N3166-V3209 HydrophobicContact CB-CG2 3.79Å; N3166-V3209 WeakPolarHBondContact O-CB 3.19Å; N3166-V3209 WeakPolarHBondContact O-CG2 3.33Å; L3167-V3209 PolarHBondContact O-N 2.95Å; L3167-V3209 VanDerWaalsContact O-N 3.16Å; V3169-V3209 HydrophobicContact CG2-CG2 3.92Å

Retrieved 3,209 of 3,209 residues in 3699.1 ms (Link to these results)

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