A0A3Q0KGA4_SCHMA Loading...

Histone-lysine N-methyltransferase 2C AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A3Q0KGA4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 3,149 aa.

						>A0A3Q0KGA4_SCHMA|A0A3Q0KGA4
MGFEGSEYEDDPLKDSTSDVQNPELLYTKVLSSFHPDESKTLQNFSDVTPPLCIFCGMNGNLNLGQGELLRFYTKIEYSEPPTWYSDLIIKVKLKQEKCTNILVTNRSTHTNRRNQHSKIVVASFTPLTADPEFCKVGPHTSLDGCRRSRSKNCFGYDCKMYLAGMPNAYFDCNGRPFGLVEELNYVGWPSKPDEDTLKVSNLIVKCTPREGEEGGWIYAHHCCASWSDGVHFNDQMVLEGVEDAAVIAVTRKCSLCLRYGASISCRISDCDSCFHFLCAAGAGCLQDIESLELLCPVHISEALASNCTSIQCGLCESPGDLTELLFCTGCGSHYHASCLEPPLQPSPTIRIGWQCAECKTCLICNESKDENKMLVCDVCDKGYHTYCLKPPVSSIPKNGFRCERCRVCSDCGGGRSSTLSGLEGPVAFNNQLNPNVRWHSNYTLCDRCFHAHKRPNSCCPVCERAWRCSLPVPENFYRNPNSTFLVWPGSRCSQCRRMVHAECDPSSNQATVSPLSAASEETSGICGTNYVCPVCRARGSTTPSEAASTTASLRASPIQGGGNSSNSGGDIMDDNFTQGGRDLLDDTVRQCIGSGSLVCPGANGSTSANTPSSSTSNSTTPNTEPGKQQIHLNNQDYPGSPRVHCKVTSNNKLSVTNSTSGRPAIDQPSINISSGRRRGNTQTSDLNFTKTNSGTRSNNANTQTSFIGTTKTGALKRTNSSATSNNINKTRRTKTRKITSYESKVSEKDDHPSTVVFCRADDNFMLEQDICIACGSIGLDTPLLACSQCGQCYHSFCAEVPKITRTMIEKGWRCLDCTVCEGCGGTSNESLLLLCDDCNISFHTYCLDPPLKEVPKGGWKCTDCVICTNCGQKDPGLNGKWHANYSVCAPCASLTTCPICNLAYREEELLVRCALCTRWAHANCDQLRTEDELEIATDLGYNCLLCRELGADIGTGHAQVLAYRQAANGNLGALENLKFGEITENLFADKLPSSLFPYSSTGVASLARSQADDDNNSSSDTRQFFMDGVVLSECGLNTIKQALLKIQPKRHTNQKRLSDQQSQSVTDTGSCSVGDSTPVELTPCGPHGQFDEDASLHSGVDGENDLSNYPDWKSPSLQSEEDGCNSMQDGTRTSLCISRNSSAGSVSANGKTTTNNSNRNRPLKNLGIGGFRAKPNRWLQTKKIQLAAASDHFVGPLTSDNKRRRQNKKKSELEDHYPNYLMKAFYGACLLSAKRKPLRKKKRIRPISSSQELIVGPESVSGIKQNKGGLTLSVRSSKPTKGGALMKKCDVARLGNRPKSDDYSLDGEWTESGSRDEEFEIGTEEIDEDDDIDEGDEEYEEDDDVDGDLCDFDELKDLEDEMDNEAFDIEEEDLSATLNPAAHQLTERVSEIKMSEGSTDSDILKTQKDNAENVSVDECVSRELSAVDYNDNQAMSSRTCPPVNSNSQDNYRLTSVSVSQLSPKSQNLVNSLDPSVDTVSAEAARVSNVVHSSNKELGPHIDLLSAQSPQEQSTELSVTTSLVGQNANSATQATTPAGLNEAADLMFMDDYLFGFGDLASTDETDLNDITPQQVSADHVTDQLQAPSPLSVGHSKNQLKQPVSSESPSHVSSIYSQNNQNIQSSERFVISNKIVYQSQVSEPLRMEETTNSEGMCLKQFVAQQDLISSPFDNQSQPAHLGSATKPHYQKSPYLGHSSTTYLQIVEDQHSRNMQRTVPLESQQSHLVIQDQQTHKTGPQSVHDSSEGSLNQLVDTVDVCPPNNTILNAYDMPPRDTSGHDLGSSQSVPGPHPRHCVNTLTGNLPELSVSDIETQLGPSTGFELSEPNLADDSPKSIIPNAVFSNELSTTPPPSEISIQRMAQQRQNVVHPNPDSVRQSYSQRPVDHCREYQPSNQSINVQQHQIPRSSLVTVPIPQSQVRPMQQQHIDPQSGRVQIRSSQPSYFYAHVVPVPGRVLTQPQKQHQQLQRQSSSPIVLQSPVPQSTQQHLSVVNSHGKFISQPLQPKSPNPMTPPPPPPYPSQVIRPGMWPQQQQQSHSRLISSNQGAIMLSATGQCLVPQGSNSAQLLMSSPQSNVPMDTQHLIPVCCQQSTQIEYIQRPCVSHPMHGSNGPQRTPSTQQMIVHGQGGLHNQPVHVYQTDHITSPNSRQFTGHPNSLSPGVLRFNSGSEEVILRCSTELQNPNNVISPNPMRSPNMEGNTHHVVLNRPSQQNILPCTASNNTQLCMTNSNSNVSNSASRRINYHKWEEDERLGGQSTIAPVLHANISHPTLRGQYPEFTVRAKEISKLWRRLSSEERGTWVIQARNNRTTLRSNQTNIPTTMGSVGIANTMPPTQPYCQPSTLANQTIPLQSGSDLSYPIESPTAYTRPQNRTPHHIQSEQQMNTNSPQQTKEPHRSLTPEIPNNSYVQDRILSSHMTSSSSNSSVDSVNAHHQAINKGLTFPNAELNTSGNILPQQHQQMIGITTPSPGSSYMVSPVNSRPPSRHQTSLPPPPPIWPPSGNMNSLSTGSVSVNSPANLKQPTPPPSVCSSMSPAPIRSPASIHVPTPTSFHIPHPYPPHGTSSLTSPAQSPVPPQSPSNINQLMRSSNAGTATPMPSSHPSPVPQSHHTILPSGHHLTSQSLLPSESSVNRQQNHSFAASHPATPGTPNSQLCGPGNTFSAPATPGAGTSPGNVGVLSYSAPTNPGNVFIVGSSAMHVSRMTSEGDISQSVYSINTLPQSSSNEHVSSSLPVAVEQGPSVGNYTGSQQQTHTQQGNYSSTELERQRLKEILAKQVHQRQVQHQHHQQLLQQQQLHLAQQEQEHIMSRHSLSQSTSGQQGSSSSGLVYTSMNQSSSNLVHQQPNESHCQPYANYSNTPMWQQHASVHDPYHSVSSQNQAHQQQSMRHAYFSQQVSAQHPAMFYQQSQTRPDPVSPSGSRILTSVTSGIPSMSPHAPGQFISTANPPTQGDYTGAQNTSVPKATRLTYPEMSELVHQPQMVPDSLPNSYGINNQAMISTSRSNQQMVHSNTMQVYRNNVSQRSDHPSSMNPYHQMDVVTPSSLTSIDTQLISDIPRAPSVAAGLEEVGFEPPIIVSRLAAKDKRCAPVINVSLLSGSAYQTEHTVDQQRLSFDNTDGSAVTSVTGGGDVANFPYRTTSEDKAIHLSNKYFM
					

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

Download 10 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	36.2	Very low	38.5	Very low	252 Å²	252	156.7 Å²	156.7	100%	1.241	83%	0.828	S	S	*	*				0	119.9	0	-61.4	-173.8	-75.1	0	0	106.2
2	G	34.6	Very low	39	Very low	63 Å²	63	151.1 Å²	151.1	65%	0.649	81%	0.807	S	S	*	*			cis	165.2	153.9	-5.2	0	0	0	0	0	110.7
3	F	37.2	Very low	39	Very low	195 Å²	195	151.2 Å²	151.2	86%	0.855	81%	0.806	S	S	*	*			trans	70.3	122.3	-173.6	-56.8	-82.1	0	0	0	115
4	E	35.9	Very low	39	Very low	186 Å²	186	151.8 Å²	151.8	87%	0.869	80%	0.798	S	S	*	*			cis	95.9	136.5	10.3	-53.8	-177.7	126.6	0	0	119.1
5	G	39.5	Very low	38.8	Very low	74 Å²	74	149.9 Å²	149.9	76%	0.763	79%	0.789	S	S	*	*			trans	98.9	145.2	160.5	0	0	0	0	0	116.9
6	S	38.5	Very low	38.7	Very low	99 Å²	99	148.4 Å²	148.4	69%	0.692	80%	0.795	S	S	*	*			cis	-176.7	121.1	-10.1	50.5	0	0	0	0	108.4
7	E	36	Very low	38.4	Very low	176 Å²	176	147.6 Å²	147.6	82%	0.822	80%	0.797	S	S	*	*				89.3	167.9	83.6	-75.9	-176.7	153.1	0	0	116.9
8	Y	44.3	Very low	38.1	Very low	206 Å²	206	144.7 Å²	144.7	81%	0.808	79%	0.79	S	S	*	*			trans	81.8	121.6	-171.6	-58.6	-74.1	0	0	0	116.2
9	E	36.9	Very low	37.9	Very low	184 Å²	184	145 Å²	145	86%	0.86	79%	0.79	S	S	*	*			cis	75	137.3	27.1	-53.6	-167.2	142.8	0	0	115.4
10	D	40.5	Very low	37.7	Very low	147 Å²	147	145 Å²	145	79%	0.786	80%	0.795	S	S	*	*			cis	-132.4	-147.8	-1	-159.9	7.4	0	0	0	110
11	D	43.8	Very low	37.5	Very low	142 Å²	142	147.1 Å²	147.1	76%	0.759	80%	0.799	S	S	*	*			cis	-155.5	148.6	12.5	166.7	58	0	0	0	109
12	P	44.2	Very low	37.3	Very low	89 Å²	89	140 Å²	140	58%	0.578	77%	0.766	S	S	*	*			trans	-113.1	-159.9	-161.9	42.6	-34.6	0	0	0	117.4
13	L	38.9	Very low	37.1	Very low	152 Å²	152	143.6 Å²	143.6	80%	0.796	78%	0.778	S	S	*	*			trans	94.6	140.2	178	-51.8	164	0	0	0	115
14	K	38.9	Very low	36.8	Very low	160 Å²	160	140.9 Å²	140.9	70%	0.696	77%	0.768	S	S	*	*			cis	-163.8	160.7	2.4	-132	178.5	166.8	-156	0	115.1
15	D	37.3	Very low	36.5	Very low	123 Å²	123	137.9 Å²	137.9	66%	0.658	76%	0.757	S	S	*	*			trans	50.3	102.7	152.2	-60.6	-33.3	0	0	0	121
16	S	36.7	Very low	36.1	Very low	126 Å²	126	142.8 Å²	142.8	88%	0.881	77%	0.765	S	S	*	*				-169.1	140.3	113.4	18.4	0	0	0	0	114.1
17	T	33.8	Very low	35.7	Very low	136 Å²	136	149.1 Å²	149.1	83%	0.834	78%	0.775	S	S	*	*			trans	-56.5	149.8	174.6	51	0	0	0	0	113.5
18	S	31.8	Very low	35.4	Very low	95 Å²	95	146.1 Å²	146.1	66%	0.664	77%	0.769	S	S	*	*				-171	177.1	54.4	56.9	0	0	0	0	113.5
19	D	34.4	Very low	34.7	Very low	150 Å²	150	143.5 Å²	143.5	80%	0.802	76%	0.762	S	S	*	*			trans	67.2	126.9	161.3	-51.7	-43.9	0	0	0	121.2
20	V	33.8	Very low	34.4	Very low	145 Å²	145	141 Å²	141	88%	0.879	76%	0.759	S	S	*	*			trans	-122.8	112.5	-179.1	173	0	0	0	0	108.1
21	Q	34.4	Very low	34.1	Very low	190 Å²	190	142.3 Å²	142.3	89%	0.888	77%	0.765	S	S	*	*			trans	-137.1	111.5	173.1	-73.5	-169	-17.7	0	0	112.6
22	N	32.5	Very low	33.3	Very low	103 Å²	103	139.6 Å²	139.6	55%	0.551	76%	0.757	S	S	*	*			trans	31.9	119.4	150.3	-150.5	17.9	0	0	0	121	E24	N22-E24 PolarHBondContact ND2-OE2 2.79Å; N22-E24 PolarHBondContact O-N 2.73Å; N22-E24 VanDerWaalsContact O-N 3.07Å
23	P	30.2	Very low	32.5	Very low	137 Å²	137	140.1 Å²	140.1	89%	0.89	76%	0.763	S	S	*	*	S	Bend	trans	-80.4	35.6	171.1	36.4	-36.8	0	0	0	114.4
24	E	30.2	Very low	32.1	Very low	138 Å²	138	141.5 Å²	141.5	65%	0.645	76%	0.763	S	S	*	*			trans	-111.1	95.4	171.3	-66.8	-175.2	98.1	0	0	110.3	N22	N22-E24 PolarHBondContact ND2-OE2 2.79Å; N22-E24 PolarHBondContact O-N 2.73Å; N22-E24 VanDerWaalsContact O-N 3.07Å
25	L	30.5	Very low	31.6	Very low	123 Å²	123	141.2 Å²	141.2	64%	0.644	76%	0.764	S	S	*	*			trans	-179.8	27.8	159.5	-105.3	161.8	0	0	0	116.2
26	L	30.5	Very low	31.3	Very low	177 Å²	177	140.5 Å²	140.5	93%	0.927	77%	0.766	S	S	*	*	S	Bend	trans	-116.8	13.4	-173.3	-84.4	176.2	0	0	0	117.7
27	Y	30.3	Very low	30.9	Very low	232 Å²	232	140.5 Å²	140.5	91%	0.91	76%	0.756	S	S	*	*	S	Bend	trans	-114	-2.1	171.9	-126.2	-95	0	0	0	115
28	T	29.5	Very low	30.8	Very low	114 Å²	114	141.3 Å²	141.3	70%	0.699	75%	0.75	S	S	*	*	S	Bend	trans	-119.7	21.6	-163.3	-16.9	0	0	0	0	114.6
29	K	28.7	Very low	30.8	Very low	151 Å²	151	141.9 Å²	141.9	66%	0.657	75%	0.754	S	S	*	*	S	Bend	trans	-129.3	8.9	-170.4	-104.7	177.1	-179.8	172.7	0	117.4
30	V	32.4	Very low	30.6	Very low	132 Å²	132	143.2 Å²	143.2	80%	0.8	75%	0.753	S	S	*	*	S	Bend	trans	-101.1	-12.4	179.2	-174.2	0	0	0	0	113.1
31	L	32.6	Very low	30.4	Very low	174 Å²	174	141.6 Å²	141.6	91%	0.911	74%	0.743	S	S	*	*	S	Bend	trans	-103.4	2.4	-179.1	-86	163.5	0	0	0	114.9
32	S	27.5	Very low	30.2	Very low	84 Å²	84	139.8 Å²	139.8	59%	0.587	74%	0.739	S	S	*	*	S	Bend	trans	-114.8	23.1	-171.4	59.9	0	0	0	0	114.3
33	S	28.2	Very low	30	Very low	101 Å²	101	142.6 Å²	142.6	71%	0.706	75%	0.749	S	S	*	*			trans	-146.8	47.9	-173.3	-61.3	0	0	0	0	114
34	F	30.1	Very low	29.8	Very low	180 Å²	180	143 Å²	143	79%	0.789	74%	0.744	S	S	*	*			trans	-110.7	117	164.2	-77.8	-78.5	0	0	0	110.4
35	H	29.4	Very low	29.6	Very low	155 Å²	155	144.9 Å²	144.9	72%	0.718	75%	0.75	S	S	*	*			trans	-77.2	142.9	178.8	-137.1	-102.8	0	0	0	110	D37	H35-D37 IonicContact ND1-OD2 2.71Å; H35-D37 PolarHBondContact O-N 2.69Å
36	P	30	Very low	29.4	Very low	108 Å²	108	144 Å²	144	70%	0.701	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	16.9	-170.9	30.6	-37.1	0	0	0	116.1
37	D	28.7	Very low	29.7	Very low	125 Å²	125	141.7 Å²	141.7	67%	0.668	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	-19.5	-169.9	-83.4	-62.4	0	0	0	116.1	H35 S39	H35-D37 IonicContact ND1-OD2 2.71Å; H35-D37 PolarHBondContact O-N 2.69Å; D37-S39 PolarHBondContact O-N 2.99Å
38	E	31.6	Very low	30.4	Very low	153 Å²	153	136.1 Å²	136.1	72%	0.715	73%	0.733	S	S	*	*			trans	-78.4	26.4	-178.3	-64.6	-159.9	108.7	0	0	114.5	K40	E38-K40 PolarHBondContact O-N 3.44Å
39	S	31.2	Very low	31.7	Very low	107 Å²	107	133.9 Å²	133.9	75%	0.748	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	27.4	-176.8	-61.7	0	0	0	0	114.6	D37	D37-S39 PolarHBondContact O-N 2.99Å
40	K	30.9	Very low	33.4	Very low	178 Å²	178	130.5 Å²	130.5	77%	0.774	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.3	-9.1	-176.3	-72.1	-173.7	176.7	179.7	0	115.4	E38	E38-K40 PolarHBondContact O-N 3.44Å
41	T	29.8	Very low	35.6	Very low	111 Å²	111	126.4 Å²	126.4	68%	0.681	69%	0.689	S	S	*	*	S	Bend	trans	-108.3	9	-169.4	-25.6	0	0	0	0	114.2
42	L	29.5	Very low	38.2	Very low	153 Å²	153	120.7 Å²	120.7	80%	0.801	66%	0.659	S	S	*	*			trans	-126	41.7	-178.5	-76.8	172.9	0	0	0	113
43	Q	27.5	Very low	41.3	Very low	161 Å²	161	116.7 Å²	116.7	75%	0.752	63%	0.631	S	S	*	*			trans	-90.5	1.5	177.8	-65.2	-166.6	-72.8	0	0	114.8
44	N	26	Very low	44.3	Very low	147 Å²	147	112.1 Å²	112.1	79%	0.786	60%	0.598	S	S	*	*	S	Bend	trans	-112.7	30.9	-173.2	-70.4	7.2	0	0	0	114.9
45	F	26.7	Very low	47.3	Very low	177 Å²	177	103.7 Å²	103.7	78%	0.776	56%	0.561	S	S	*	*			trans	-135.7	86.3	169.1	-85.5	-76.7	0	0	0	110.4
46	S	25.8	Very low	50.2	Low	105 Å²	105	96.4 Å²	96.4	73%	0.734	53%	0.528	S	S	*	.			trans	-86.3	-19	-160.2	-54.4	0	0	0	0	116.5
47	D	37	Very low	52.8	Low	128 Å²	128	92 Å²	92	68%	0.684	50%	0.502	S	S	*	.			trans	-109	-20	-159	-74	-71.7	0	0	0	116.9	T49 K93	D47-T49 PolarHBondContact O-N 2.87Å; D47-T49 VanDerWaalsContact O-N 3.14Å; D47-K93 PolarHBondContact O-NZ 3.34Å
48	V	45.8	Very low	55.3	Low	115 Å²	115	86.6 Å²	86.6	70%	0.697	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-62.7	116.4	-166.8	-172.6	0	0	0	0	111.7
49	T	56.4	Low	57.6	Low	67 Å²	67	81.3 Å²	81.3	41%	0.411	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-63	138.4	168.7	36.1	0	0	0	0	110.6	D47 I89	D47-T49 PolarHBondContact O-N 2.87Å; D47-T49 VanDerWaalsContact O-N 3.14Å; T49-I89 HydrophobicContact CG2-CG2 4.09Å
50	P	65.1	Low	59.4	Low	79 Å²	79	77.9 Å²	77.9	51%	0.513	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-60	140.4	172	27.6	-34.6	0	0	0	109.6
51	P	78.8	Confident	61.1	Low	47 Å²	47	76 Å²	76	31%	0.305	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-60.8	140.2	-176	24	-33.8	0	0	0	111.6	L69 Y219	P51-L69 HydrophobicContact CB-CD2 3.87Å; P51-L69 HydrophobicContact CG-CD2 3.85Å; P51-L69 WeakPolarHBondContact O-CD2 3.41Å; P51-Y219 HydrophobicContact CB-CD1 3.63Å; P51-Y219 HydrophobicContact CB-CD2 3.69Å; P51-Y219 HydrophobicContact CB-CE1 3.84Å; P51-Y219 HydrophobicContact CB-CE2 3.92Å; P51-Y219 HydrophobicContact CB-CG 3.54Å; P51-Y219 HydrophobicContact CG-CD1 4.17Å; P51-Y219 HydrophobicContact CG-CE1 4.08Å
52	L	86.6	Confident	62.7	Low	54 Å²	54	73.6 Å²	73.6	28%	0.283	41%	0.412	S	S	.	.			trans	-116.2	144.4	-179.2	-56.2	-178.6	0	0	0	109.2	I54 N59 W189	L52-I54 PolarHBondContact O-N 2.73Å; L52-N59 HydrophobicContact CD2-CB 3.93Å; L52-W189 HydrophobicContact CB-CH2 4.1Å; L52-W189 HydrophobicContact CD1-CH2 3.92Å; L52-W189 HydrophobicContact CD1-CZ3 4.2Å
53	C	91.2	Very high	64.7	Low	0 Å²	0	68.2 Å²	68.2	0%	0	38%	0.384	C	S	.	.			trans	-67.7	125.2	173	168.6	0	0	0	0	110.7	F55 C56 G57 M58 L69 Y219 H221	C53-F55 PolarHBondContact O-N 3.4Å; C53-F55 VanDerWaalsContact O-N 3.14Å; C53-F55 PolarHBondContact SG-N 2.88Å; C53-C56 PolarHBondContact O-N 2.94Å; C53-G57 WeakPolarHBondContact O-CA 3.48Å; C53-G57 PolarHBondContact O-N 2.88Å; C53-M58 PolarHBondContact N-O 2.78Å; C53-L69 HydrophobicContact CB-CD1 3.78Å; C53-Y219 CarbonylContact C-O 3.41Å; C53-Y219 WeakPolarHBondContact CA-O 3.18Å; C53-H221 WeakPolarHBondContact CB-ND1 3.25Å; C53-H221 PolarHBondContact SG-N 2.81Å
54	I	91.9	Very high	67.2	Low	4 Å²	4	60.8 Å²	60.8	2%	0.021	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.3	-177.9	-161.3	153.8	0	0	0	114	L52 W189 V200 L203 I218 Y219 A220 A246 V250	L52-I54 PolarHBondContact O-N 2.73Å; I54-W189 PolarHBondContact O-NE1 3.48Å; I54-V200 HydrophobicContact CD1-CB 4.36Å; I54-V200 HydrophobicContact CD1-CG1 3.92Å; I54-V200 HydrophobicContact CD1-CG2 4.06Å; I54-L203 HydrophobicContact CD1-CB 4.16Å; I54-L203 HydrophobicContact CG1-CB 4.43Å; I54-L203 HydrophobicContact CG1-CD1 4.07Å; I54-I218 HydrophobicContact CB-CG2 4.06Å; I54-I218 HydrophobicContact CD1-CD1 4.26Å; I54-I218 HydrophobicContact CD1-CG1 4.08Å; I54-I218 HydrophobicContact CD1-CG2 3.87Å; I54-I218 HydrophobicContact CG2-CG2 3.68Å; I54-Y219 PolarHBondContact N-O 3.04Å; I54-A220 HydrophobicContact CG2-CB 4.39Å; I54-A246 HydrophobicContact CD1-CB 3.97Å; I54-A246 HydrophobicContact CG1-CB 4.16Å; I54-A246 HydrophobicContact CG2-CB 3.74Å; I54-V250 HydrophobicContact CG1-CG2 4.32Å
55	F	93.8	Very high	70	Confident	3 Å²	3	54.2 Å²	54.2	1%	0.013	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-58.4	175.1	-55.2	-68.8	0	0	0	112	C53 A220 C224 A225 S228 V242 A245 A246 A249 G261 H276	C53-F55 PolarHBondContact O-N 3.4Å; C53-F55 VanDerWaalsContact O-N 3.14Å; C53-F55 PolarHBondContact SG-N 2.88Å; F55-A220 HydrophobicContact CD2-CB 3.78Å; F55-A220 HydrophobicContact CE2-CB 3.65Å; F55-C224 HydrophobicContact CB-CB 4.13Å; F55-C224 HydrophobicContact CD2-CB 3.96Å; F55-C224 HydrophobicContact CG-CB 4.41Å; F55-A225 HydrophobicContact CE2-CB 4.09Å; F55-S228 WeakPolarHBondContact CE1-OG 3.44Å; F55-V242 HydrophobicContact CE2-CG1 4.24Å; F55-V242 HydrophobicContact CZ-CG1 4.26Å; F55-A245 HydrophobicContact CE1-CB 4.36Å; F55-A245 HydrophobicContact CZ-CB 4.33Å; F55-A246 HydrophobicContact CE1-CB 4.17Å; F55-A246 HydrophobicContact CZ-CB 4.22Å; F55-A249 HydrophobicContact CD1-CB 3.59Å; F55-A249 HydrophobicContact CE1-CB 3.83Å; F55-G261 CarbonylContact C-O 3.11Å; F55-G261 CarbonylContact O-C 3.36Å; F55-G261 VanDerWaalsContact O-CA 3.32Å; F55-G261 WeakPolarHBondContact O-CA 3.24Å; F55-G261 VanDerWaalsContact O-O 3.05Å; F55-H276 PolarHBondContact O-CD2 3.19Å; F55-H276 PolarHBondContact O-NE2 3.29Å
56	C	89.6	Confident	72.9	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.014	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-6.3	-170	74.8	0	0	0	0	115.5	C53 M58 V187 G188 H221	C53-C56 PolarHBondContact O-N 2.94Å; C56-M58 PolarHBondContact O-N 3.2Å; C56-M58 VanDerWaalsContact O-N 3.16Å; C56-V187 HydrophobicContact CB-CG1 4.34Å; C56-V187 WeakPolarHBondContact O-CA 3.44Å; C56-G188 PolarHBondContact O-N 3.01Å; C56-H221 PolarHBondContact SG-ND1 3.06Å
57	G	85	Confident	75.7	Confident	15 Å²	15	41.8 Å²	41.8	16%	0.155	25%	0.254	C	S	.	.			trans	70.3	-0.6	-179.1	0	0	0	0	0	115.6	C53	C53-G57 WeakPolarHBondContact O-CA 3.48Å; C53-G57 PolarHBondContact O-N 2.88Å
58	M	81.2	Confident	78.1	Confident	13 Å²	13	43 Å²	43	6%	0.064	26%	0.256	C	S	.	.			trans	-91.8	155.6	-179.8	-62.1	178	65.6	0	0	112.3	C53 C56 L62 V187 H221 L278	C53-M58 PolarHBondContact N-O 2.78Å; C56-M58 PolarHBondContact O-N 3.2Å; C56-M58 VanDerWaalsContact O-N 3.16Å; M58-L62 HydrophobicContact CE-CB 3.76Å; M58-L62 HydrophobicContact CE-CD1 4.2Å; M58-V187 HydrophobicContact CG-CG2 4.45Å; M58-V187 HydrophobicContact SD-CG2 3.65Å; M58-H221 PolarHBondContact O-CE1 2.87Å; M58-L278 HydrophobicContact CE-CD1 4.48Å; M58-L278 HydrophobicContact SD-CD1 3.78Å
59	N	79.2	Confident	80.1	Confident	42 Å²	42	39.4 Å²	39.4	23%	0.225	23%	0.233	C	C	.	.			trans	-87.7	178.5	172.1	62.5	26.4	0	0	0	112.3	L52 N61 H221	L52-N59 HydrophobicContact CD2-CB 3.93Å; N59-N61 VanDerWaalsContact C-N 3.26Å; N59-N61 PolarHBondContact O-N 2.72Å; N59-N61 WeakPolarHBondContact OD1-CB 3.08Å; N59-N61 PolarHBondContact OD1-N 2.93Å; N59-N61 VanDerWaalsContact OD1-N 3.09Å; N59-H221 PolarHBondContact O-CE1 3.35Å; N59-H221 PolarHBondContact O-NE2 3.18Å
60	G	69.9	Low	81.7	Confident	34 Å²	34	39 Å²	39	35%	0.351	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.1	176.6	0	0	0	0	0	115.9	L62	G60-L62 VanDerWaalsContact C-N 3.29Å; G60-L62 PolarHBondContact O-N 3.15Å
61	N	66	Low	82.9	Confident	138 Å²	138	41.3 Å²	41.3	74%	0.738	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.1	-170.7	-61.1	-6	0	0	0	113.9	N59	N59-N61 VanDerWaalsContact C-N 3.26Å; N59-N61 PolarHBondContact O-N 2.72Å; N59-N61 WeakPolarHBondContact OD1-CB 3.08Å; N59-N61 PolarHBondContact OD1-N 2.93Å; N59-N61 VanDerWaalsContact OD1-N 3.09Å
62	L	64	Low	83.4	Confident	61 Å²	61	40.6 Å²	40.6	32%	0.319	22%	0.218	S	C	.	.			trans	-130.7	77.4	178.6	-72.7	172.9	0	0	0	109.2	M58 G60 L64 Q66	M58-L62 HydrophobicContact CE-CB 3.76Å; M58-L62 HydrophobicContact CE-CD1 4.2Å; G60-L62 VanDerWaalsContact C-N 3.29Å; G60-L62 PolarHBondContact O-N 3.15Å; L62-L64 PolarHBondContact O-N 3.07Å; L62-Q66 PolarHBondContact O-OE1 2.95Å
63	N	72.1	Confident	83.4	Confident	40 Å²	40	42.1 Å²	42.1	21%	0.214	22%	0.221	C	C	.	.			trans	-78.7	102.1	174.8	-172.7	-3.3	0	0	0	110	G65 Q66 G67	N63-G65 VanDerWaalsContact C-N 3.32Å; N63-G65 WeakPolarHBondContact OD1-CA 3.48Å; N63-G65 PolarHBondContact OD1-N 3.21Å; N63-Q66 PolarHBondContact OD1-N 3.44Å; N63-Q66 VanDerWaalsContact OD1-N 3.09Å; N63-G67 PolarHBondContact OD1-N 3.42Å; N63-G67 VanDerWaalsContact OD1-N 3.16Å
64	L	80.1	Confident	83.2	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.026	22%	0.221	C	C	.	.	S	Bend	trans	-98.7	43.2	171.6	-70.6	164.1	0	0	0	110.5	L62 E183 L278 I352 G353 L363 K382	L62-L64 PolarHBondContact O-N 3.07Å; L64-E183 HydrophobicContact CD1-CB 4.38Å; L64-L278 HydrophobicContact CB-CD1 4.01Å; L64-L278 HydrophobicContact CB-CD2 3.62Å; L64-L278 HydrophobicContact CB-CG 4.48Å; L64-L278 HydrophobicContact CD1-CD1 3.81Å; L64-L278 VanDerWaalsContact O-CD2 3.23Å; L64-L278 WeakPolarHBondContact O-CD2 3.47Å; L64-I352 HydrophobicContact CB-CG2 4.48Å; L64-I352 HydrophobicContact CD1-CG2 4.18Å; L64-G353 WeakPolarHBondContact O-CA 3.23Å; L64-L363 HydrophobicContact CD2-CD1 4.15Å; L64-K382 HydrophobicContact CD2-CD 4.35Å
65	G	83.3	Confident	82.8	Confident	10 Å²	10	49.6 Å²	49.6	10%	0.103	25%	0.253	C	S	.	.	S	Bend	trans	85.1	4.8	-175.5	0	0	0	0	0	114.7	N63 G67 F277 T329	N63-G65 VanDerWaalsContact C-N 3.32Å; N63-G65 WeakPolarHBondContact OD1-CA 3.48Å; N63-G65 PolarHBondContact OD1-N 3.21Å; G65-G67 PolarHBondContact O-N 3.49Å; G65-F277 VanDerWaalsContact O-CE1 3.27Å; G65-F277 WeakPolarHBondContact O-CE1 3.17Å; G65-T329 VanDerWaalsContact CA-OG1 3.3Å; G65-T329 WeakPolarHBondContact CA-OG1 3.17Å
66	Q	87.1	Confident	82.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.			trans	-69.4	-18.5	177.2	-63.9	137.4	-81.4	0	0	112.7	L62 N63 H221 H222 C223 F277 L278	L62-Q66 PolarHBondContact O-OE1 2.95Å; N63-Q66 PolarHBondContact OD1-N 3.44Å; N63-Q66 VanDerWaalsContact OD1-N 3.09Å; Q66-H221 HydrophobicContact CB-CB 3.68Å; Q66-H221 WeakPolarHBondContact O-CB 3.39Å; Q66-H222 PolarHBondContact O-N 3.47Å; Q66-C223 VanDerWaalsContact O-CB 3.3Å; Q66-C223 WeakPolarHBondContact O-CB 3.47Å; Q66-C223 PolarHBondContact O-N 2.89Å; Q66-C223 PolarHBondContact O-SG 2.96Å; Q66-F277 HydrophobicContact CG-CD1 4.11Å; Q66-L278 HydrophobicContact CG-CD1 4.31Å; Q66-L278 HydrophobicContact CG-CD2 3.84Å; Q66-L278 HydrophobicContact CG-CG 3.93Å
67	G	86.1	Confident	82	Confident	20 Å²	20	59.9 Å²	59.9	21%	0.206	30%	0.302	C	S	.	.			trans	84	-171.5	-173.9	0	0	0	0	0	112.9	N63 G65 H221	N63-G67 PolarHBondContact OD1-N 3.42Å; N63-G67 VanDerWaalsContact OD1-N 3.16Å; G65-G67 PolarHBondContact O-N 3.49Å; G67-H221 PolarHBondContact O-CD2 3.16Å
68	E	86.6	Confident	81.9	Confident	153 Å²	153	63.1 Å²	63.1	72%	0.715	31%	0.31	S	S	*	.			trans	-73.8	154	-179.6	-57.8	-163.6	151.9	0	0	112.1	L70 H221 H222	E68-L70 PolarHBondContact O-N 3.15Å; E68-H221 CarbonylContact O-C 3.32Å; E68-H221 VanDerWaalsContact O-CA 3.24Å; E68-H221 WeakPolarHBondContact O-CA 3.24Å; E68-H222 PolarHBondContact O-N 3.16Å
69	L	88.8	Confident	82	Confident	40 Å²	40	64.6 Å²	64.6	21%	0.209	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	95.8	179.2	-171.2	76.7	0	0	0	109.9	P51 C53 Y219	P51-L69 HydrophobicContact CB-CD2 3.87Å; P51-L69 HydrophobicContact CG-CD2 3.85Å; P51-L69 WeakPolarHBondContact O-CD2 3.41Å; C53-L69 HydrophobicContact CB-CD1 3.78Å; L69-Y219 HydrophobicContact CD2-CD1 4.2Å; L69-Y219 HydrophobicContact CG-CD1 4.28Å
70	L	89.8	Confident	82	Confident	59 Å²	59	70.2 Å²	70.2	31%	0.309	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	156.1	179.4	-58.4	178.6	0	0	0	111.3	E68 F72 Y219 A220 H222	E68-L70 PolarHBondContact O-N 3.15Å; L70-F72 HydrophobicContact CB-CE2 3.64Å; L70-F72 HydrophobicContact CB-CZ 3.76Å; L70-F72 HydrophobicContact CD1-CZ 4.05Å; L70-Y219 WeakPolarHBondContact O-CA 3.36Å; L70-A220 PolarHBondContact N-O 3.43Å; L70-A220 PolarHBondContact O-N 3.11Å; L70-H222 HydrophobicContact CD1-CB 4.15Å
71	R	90.1	Very high	82.5	Confident	128 Å²	128	70 Å²	70	48%	0.483	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.9	171.8	70.8	175.8	-177.5	163.4	-0.2	110.8	E211 W217 I218 Y219	R71-E211 IonicContact CZ-OE1 2.69Å; R71-E211 IonicContact NH1-OE1 3.72Å; R71-E211 PolarHBondContact NH1-OE1 2.97Å; R71-E211 IonicContact NH2-OE1 3.3Å; R71-W217 HydrophobicContact CB-CE3 4.04Å; R71-W217 HydrophobicContact CG-CE3 3.91Å; R71-W217 HydrophobicContact CG-CZ3 4Å; R71-I218 CarbonylContact C-O 3.59Å; R71-I218 WeakPolarHBondContact CA-O 3.32Å; R71-Y219 HydrophobicContact CB-CD1 4.02Å; R71-Y219 HydrophobicContact CB-CE1 3.73Å
72	F	89.7	Confident	83.3	Confident	31 Å²	31	64.3 Å²	64.3	14%	0.136	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.8	179.3	-59	-86.3	0	0	0	108	L70 W217 I218 A220 A225 L239 V242	L70-F72 HydrophobicContact CB-CE2 3.64Å; L70-F72 HydrophobicContact CB-CZ 3.76Å; L70-F72 HydrophobicContact CD1-CZ 4.05Å; F72-W217 WeakPolarHBondContact O-CA 3.03Å; F72-I218 PolarHBondContact N-O 3.45Å; F72-I218 PolarHBondContact O-N 2.95Å; F72-A220 HydrophobicContact CD2-CB 4.36Å; F72-A220 HydrophobicContact CE2-CB 3.95Å; F72-A225 HydrophobicContact CZ-CB 4.38Å; F72-L239 HydrophobicContact CE1-CB 4.11Å; F72-L239 HydrophobicContact CZ-CD1 4.28Å; F72-V242 HydrophobicContact CD1-CB 4.21Å; F72-V242 HydrophobicContact CD1-CG1 4.28Å; F72-V242 HydrophobicContact CD1-CG2 4.09Å; F72-V242 HydrophobicContact CD2-CG1 3.98Å; F72-V242 HydrophobicContact CE1-CB 4.45Å; F72-V242 HydrophobicContact CE1-CG1 4.44Å; F72-V242 HydrophobicContact CE1-CG2 3.89Å; F72-V242 HydrophobicContact CE2-CG1 4.15Å; F72-V242 HydrophobicContact CG-CB 4.37Å; F72-V242 HydrophobicContact CG-CG1 4.05Å; F72-V242 HydrophobicContact CZ-CG1 4.38Å; F72-V242 HydrophobicContact CZ-CG2 4.29Å
73	Y	87	Confident	84.1	Confident	87 Å²	87	66.9 Å²	66.9	34%	0.341	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	141.8	174.8	170.4	-95.8	0	0	0	109.4	K75 E214	Y73-K75 HydrophobicContact CE1-CG 3.73Å; Y73-E214 PolarHBondContact OH-O 3.13Å
74	T	86.8	Confident	84.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145.3	-178.5	168.8	0	0	0	0	110.2	I76 I204 G216 I218 E243	T74-I76 WeakPolarHBondContact OG1-CB 3.48Å; T74-I76 PolarHBondContact OG1-N 2.98Å; T74-I76 VanDerWaalsContact OG1-N 3.12Å; T74-I204 HydrophobicContact CG2-CD1 3.92Å; T74-I204 HydrophobicContact CG2-CG1 4.09Å; T74-I204 HydrophobicContact CG2-CG2 3.93Å; T74-G216 WeakPolarHBondContact CG2-O 3.34Å; T74-G216 PolarHBondContact N-O 2.92Å; T74-G216 PolarHBondContact O-N 3.29Å; T74-G216 VanDerWaalsContact O-N 3.11Å; T74-I218 HydrophobicContact CG2-CD1 4.08Å; T74-I218 HydrophobicContact CG2-CG1 3.79Å; T74-E243 WeakPolarHBondContact CA-OE1 3.47Å; T74-E243 VanDerWaalsContact CB-OE1 3.24Å; T74-E243 WeakPolarHBondContact CB-OE1 3.26Å; T74-E243 PolarHBondContact OG1-OE1 3.29Å
75	K	83.7	Confident	84.5	Confident	161 Å²	161	67.3 Å²	67.3	70%	0.7	33%	0.326	S	S	*	.			trans	-98.1	-2.5	174.3	-66.7	-179.1	-179.5	176.7	0	112.8	Y73 E77 E243	Y73-K75 HydrophobicContact CE1-CG 3.73Å; K75-E77 PolarHBondContact O-N 3.36Å; K75-E243 PolarHBondContact N-OE1 3.09Å; K75-E243 VanDerWaalsContact N-OE1 3.11Å
76	I	85.1	Confident	84.2	Confident	48 Å²	48	68.8 Å²	68.8	25%	0.246	34%	0.335	C	S	.	.	S	Bend	trans	-66.9	124	172.7	-64.5	164	0	0	0	108.2	T74 V200 I204 E243 V247	T74-I76 WeakPolarHBondContact OG1-CB 3.48Å; T74-I76 PolarHBondContact OG1-N 2.98Å; T74-I76 VanDerWaalsContact OG1-N 3.12Å; I76-V200 HydrophobicContact CD1-CG1 3.8Å; I76-I204 HydrophobicContact CB-CD1 3.65Å; I76-I204 HydrophobicContact CG2-CD1 3.6Å; I76-I204 WeakPolarHBondContact O-CD1 3.33Å; I76-E243 HydrophobicContact CD1-CG 3.82Å; I76-E243 WeakPolarHBondContact CG1-OE1 3.2Å; I76-V247 HydrophobicContact CD1-CG2 3.94Å
77	E	80.8	Confident	83.8	Confident	172 Å²	172	72.4 Å²	72.4	80%	0.804	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-64.3	138.7	174.5	-66.9	179.8	-171.1	0	0	110.8	K75 S79 S201	K75-E77 PolarHBondContact O-N 3.36Å; E77-S79 PolarHBondContact O-N 3.46Å; E77-S201 VanDerWaalsContact O-CB 3.26Å; E77-S201 WeakPolarHBondContact O-CB 3.45Å
78	Y	82.3	Confident	83	Confident	84 Å²	84	73.8 Å²	73.8	33%	0.329	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-64.2	128.9	172	170.2	-83.8	0	0	0	110.2	E80 P81 S201 I204 K206	Y78-E80 HydrophobicContact CE1-CG 4.08Å; Y78-P81 WeakPolarHBondContact OH-CD 3.42Å; Y78-S201 WeakPolarHBondContact CA-O 3.43Å; Y78-I204 WeakPolarHBondContact CD2-O 3.22Å; Y78-K206 HydrophobicContact CD1-CD 4.39Å; Y78-K206 HydrophobicContact CD2-CG 4.26Å; Y78-K206 HydrophobicContact CG-CD 4.34Å; Y78-K206 HydrophobicContact CG-CG 4.03Å
79	S	83.7	Confident	82.2	Confident	43 Å²	43	68.6 Å²	68.6	30%	0.301	33%	0.334	S	S	.	.			trans	-115.8	138.1	169.4	65.3	0	0	0	0	109.9	E77 S201 N202	E77-S79 PolarHBondContact O-N 3.46Å; S79-S201 PolarHBondContact N-O 3.19Å; S79-S201 WeakPolarHBondContact OG-CB 3.31Å; S79-S201 PolarHBondContact OG-OG 2.94Å; S79-N202 WeakPolarHBondContact O-CA 3.49Å; S79-N202 PolarHBondContact O-ND2 2.88Å; S79-N202 PolarHBondContact OG-ND2 2.98Å
80	E	79.5	Confident	81.5	Confident	161 Å²	161	71 Å²	71	75%	0.752	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-55.7	132.9	-177.1	-62	-160.5	148.9	0	0	112.1	Y78 N202	Y78-E80 HydrophobicContact CE1-CG 4.08Å; E80-N202 PolarHBondContact O-ND2 2.91Å
81	P	79.6	Confident	80.5	Confident	28 Å²	28	72.8 Å²	72.8	18%	0.182	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-63.1	142.8	-179.7	22.9	-32.2	0	0	0	111.5	Y78 T83 Y85 S86 N202	Y78-P81 WeakPolarHBondContact OH-CD 3.42Å; P81-T83 PolarHBondContact O-N 3.04Å; P81-Y85 HydrophobicContact CB-CD1 3.72Å; P81-Y85 HydrophobicContact CB-CE1 4.34Å; P81-S86 WeakPolarHBondContact CG-OG 3.33Å; P81-N202 HydrophobicContact CB-CB 4.14Å
82	P	82.3	Confident	79.1	Confident	19 Å²	19	69 Å²	69	12%	0.123	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-48.1	139.2	174.1	-31.3	36.3	0	0	0	112.7	W84 Y85 S86 D196	P82-W84 VanDerWaalsContact CB-CD1 3.48Å; P82-W84 HydrophobicContact CB-CG 4.29Å; P82-W84 PolarHBondContact O-N 3.44Å; P82-W84 VanDerWaalsContact O-N 3.07Å; P82-Y85 WeakPolarHBondContact O-CA 3.39Å; P82-Y85 WeakPolarHBondContact O-CB 3.45Å; P82-Y85 PolarHBondContact O-N 3Å; P82-S86 PolarHBondContact O-N 3.2Å; P82-D196 HydrophobicContact CB-CB 4.02Å; P82-D196 HydrophobicContact CG-CB 4.29Å
83	T	81.6	Confident	77.6	Confident	115 Å²	115	70.3 Å²	70.3	71%	0.706	35%	0.348	S	S	*	.	H	α-helix	trans	-50.7	-41.7	-175.6	56	0	0	0	0	111.8	P81 Y85 S86 D87	P81-T83 PolarHBondContact O-N 3.04Å; T83-Y85 VanDerWaalsContact C-N 3.29Å; T83-Y85 PolarHBondContact O-N 2.92Å; T83-S86 PolarHBondContact O-N 3.12Å; T83-D87 VanDerWaalsContact O-CB 3.3Å; T83-D87 WeakPolarHBondContact O-CB 3.43Å; T83-D87 PolarHBondContact O-N 3.46Å
84	W	82.2	Confident	76.4	Confident	32 Å²	32	69.7 Å²	69.7	12%	0.121	35%	0.35	C	S	.	.	H	α-helix	trans	-59.7	-32.5	178	73.4	-102.3	0	0	0	114.2	P82 L88 P190 K192 D196 L198	P82-W84 VanDerWaalsContact CB-CD1 3.48Å; P82-W84 HydrophobicContact CB-CG 4.29Å; P82-W84 PolarHBondContact O-N 3.44Å; P82-W84 VanDerWaalsContact O-N 3.07Å; W84-L88 HydrophobicContact CZ3-CD2 4.49Å; W84-L88 WeakPolarHBondContact O-CB 3.36Å; W84-L88 PolarHBondContact O-N 3.29Å; W84-L88 VanDerWaalsContact O-N 3.1Å; W84-P190 HydrophobicContact CH2-CG 4.14Å; W84-P190 HydrophobicContact CZ3-CB 4.48Å; W84-P190 HydrophobicContact CZ3-CG 3.88Å; W84-K192 HydrophobicContact CB-CD 3.81Å; W84-K192 HydrophobicContact CD2-CB 4.36Å; W84-K192 HydrophobicContact CD2-CD 3.86Å; W84-K192 HydrophobicContact CG-CD 3.51Å; W84-K192 HydrophobicContact CZ2-CB 4.47Å; W84-D196 PolarHBondContact NE1-O 3.35Å; W84-L198 HydrophobicContact CZ2-CB 4.37Å
85	Y	77.8	Confident	74.7	Confident	22 Å²	22	73.9 Å²	73.9	9%	0.086	37%	0.368	C	S	.	.	H	α-helix	trans	-78.1	-45.1	178.2	175.1	-92	0	0	0	110.6	P81 P82 T83 D87 L88 I89 W189 L198	P81-Y85 HydrophobicContact CB-CD1 3.72Å; P81-Y85 HydrophobicContact CB-CE1 4.34Å; P82-Y85 WeakPolarHBondContact O-CA 3.39Å; P82-Y85 WeakPolarHBondContact O-CB 3.45Å; P82-Y85 PolarHBondContact O-N 3Å; T83-Y85 VanDerWaalsContact C-N 3.29Å; T83-Y85 PolarHBondContact O-N 2.92Å; Y85-D87 VanDerWaalsContact C-N 3.28Å; Y85-D87 PolarHBondContact O-N 3.29Å; Y85-L88 WeakPolarHBondContact O-CA 3.48Å; Y85-L88 WeakPolarHBondContact O-CB 3.29Å; Y85-L88 PolarHBondContact O-N 3Å; Y85-I89 HydrophobicContact CD1-CG1 4.08Å; Y85-I89 HydrophobicContact CE1-CD1 4.34Å; Y85-I89 HydrophobicContact CE1-CG1 3.65Å; Y85-I89 HydrophobicContact CE2-CD1 4.21Å; Y85-I89 HydrophobicContact CE2-CG1 4.17Å; Y85-I89 WeakPolarHBondContact O-CG1 3.49Å; Y85-I89 PolarHBondContact O-N 3.15Å; Y85-W189 HydrophobicContact CE2-CE3 4.05Å; Y85-W189 HydrophobicContact CE2-CZ3 4.03Å; Y85-W189 VanDerWaalsContact OH-CZ3 3.31Å; Y85-W189 WeakPolarHBondContact OH-CZ3 3.2Å; Y85-L198 HydrophobicContact CD1-CD1 4.4Å; Y85-L198 HydrophobicContact CD2-CD1 4.04Å; Y85-L198 HydrophobicContact CD2-CD2 4.19Å; Y85-L198 HydrophobicContact CE2-CD1 4.36Å; Y85-L198 HydrophobicContact CE2-CD2 4.11Å; Y85-L198 HydrophobicContact CG-CD1 4.06Å
86	S	78.6	Confident	72.8	Confident	41 Å²	41	72 Å²	72	29%	0.287	36%	0.362	S	S	.	.	H	α-helix	trans	-55.5	-46.1	172.1	-58.9	0	0	0	0	111	P81 P82 T83 L88 I89 I90	P81-S86 WeakPolarHBondContact CG-OG 3.33Å; P82-S86 PolarHBondContact O-N 3.2Å; T83-S86 PolarHBondContact O-N 3.12Å; S86-L88 VanDerWaalsContact C-N 3.31Å; S86-L88 PolarHBondContact O-N 2.8Å; S86-I89 PolarHBondContact O-N 3.3Å; S86-I90 WeakPolarHBondContact O-CB 3Å; S86-I90 WeakPolarHBondContact O-CD1 3.46Å; S86-I90 VanDerWaalsContact O-CG1 3.25Å; S86-I90 WeakPolarHBondContact O-CG1 3.04Å; S86-I90 PolarHBondContact O-N 3.47Å
87	D	77.2	Confident	70.8	Confident	77 Å²	77	73.5 Å²	73.5	41%	0.412	37%	0.368	S	S	.	.	H	α-helix	trans	-58.3	-41.1	174.9	-132	6.4	0	0	0	112.1	T83 Y85 K91	T83-D87 VanDerWaalsContact O-CB 3.3Å; T83-D87 WeakPolarHBondContact O-CB 3.43Å; T83-D87 PolarHBondContact O-N 3.46Å; Y85-D87 VanDerWaalsContact C-N 3.28Å; Y85-D87 PolarHBondContact O-N 3.29Å; D87-K91 VanDerWaalsContact CG-CE 3.43Å; D87-K91 VanDerWaalsContact O-CB 3.29Å; D87-K91 WeakPolarHBondContact O-CB 3.5Å; D87-K91 WeakPolarHBondContact O-CD 3.27Å; D87-K91 WeakPolarHBondContact O-CE 3.17Å; D87-K91 WeakPolarHBondContact O-CG 3.41Å; D87-K91 PolarHBondContact O-N 3.32Å; D87-K91 WeakPolarHBondContact OD1-CE 3.13Å; D87-K91 IonicContact OD1-NZ 2.79Å; D87-K91 PolarHBondContact OD1-NZ 3.21Å; D87-K91 WeakPolarHBondContact OD2-CE 3.24Å; D87-K91 IonicContact OD2-NZ 3.11Å; D87-K91 PolarHBondContact OD2-NZ 3.22Å
88	L	70.9	Confident	68.8	Low	48 Å²	48	72 Å²	72	25%	0.251	36%	0.359	S	S	.	.	H	α-helix	trans	-68	-46.2	177.6	-178.6	65.1	0	0	0	111.7	W84 Y85 S86 K91 V92 F125 P190	W84-L88 HydrophobicContact CZ3-CD2 4.49Å; W84-L88 WeakPolarHBondContact O-CB 3.36Å; W84-L88 PolarHBondContact O-N 3.29Å; W84-L88 VanDerWaalsContact O-N 3.1Å; Y85-L88 WeakPolarHBondContact O-CA 3.48Å; Y85-L88 WeakPolarHBondContact O-CB 3.29Å; Y85-L88 PolarHBondContact O-N 3Å; S86-L88 VanDerWaalsContact C-N 3.31Å; S86-L88 PolarHBondContact O-N 2.8Å; L88-K91 CarbonylContact O-C 3.58Å; L88-K91 PolarHBondContact O-N 3.25Å; L88-V92 WeakPolarHBondContact O-CG2 3.47Å; L88-V92 PolarHBondContact O-N 2.92Å; L88-F125 HydrophobicContact CD1-CE1 4.01Å; L88-P190 HydrophobicContact CD2-CB 4.31Å; L88-P190 HydrophobicContact CD2-CG 3.67Å
89	I	69.8	Low	66.5	Low	45 Å²	45	70.7 Å²	70.7	23%	0.231	36%	0.361	C	S	.	.	H	α-helix	trans	-62.9	-42	177.4	-65.6	-61.5	0	0	0	110.7	T49 Y85 S86 V92 K93	T49-I89 HydrophobicContact CG2-CG2 4.09Å; Y85-I89 HydrophobicContact CD1-CG1 4.08Å; Y85-I89 HydrophobicContact CE1-CD1 4.34Å; Y85-I89 HydrophobicContact CE1-CG1 3.65Å; Y85-I89 HydrophobicContact CE2-CD1 4.21Å; Y85-I89 HydrophobicContact CE2-CG1 4.17Å; Y85-I89 WeakPolarHBondContact O-CG1 3.49Å; Y85-I89 PolarHBondContact O-N 3.15Å; S86-I89 PolarHBondContact O-N 3.3Å; I89-V92 CarbonylContact O-C 3.5Å; I89-V92 PolarHBondContact O-N 2.99Å; I89-V92 VanDerWaalsContact O-N 3.17Å; I89-K93 WeakPolarHBondContact O-CB 3.21Å; I89-K93 PolarHBondContact O-N 3.34Å
90	I	72.6	Confident	64.1	Low	90 Å²	90	72.2 Å²	72.2	46%	0.462	37%	0.368	S	S	.	.	H	α-helix	trans	-61.9	-45.7	173.6	-69.6	164.2	0	0	0	110.6	S86 V92 K93 L94	S86-I90 WeakPolarHBondContact O-CB 3Å; S86-I90 WeakPolarHBondContact O-CD1 3.46Å; S86-I90 VanDerWaalsContact O-CG1 3.25Å; S86-I90 WeakPolarHBondContact O-CG1 3.04Å; S86-I90 PolarHBondContact O-N 3.47Å; I90-V92 PolarHBondContact O-N 2.89Å; I90-K93 PolarHBondContact O-N 3.08Å; I90-L94 HydrophobicContact CG2-CD1 3.63Å; I90-L94 HydrophobicContact CG2-CG 4.2Å; I90-L94 VanDerWaalsContact O-CB 3.29Å; I90-L94 WeakPolarHBondContact O-CB 3.48Å; I90-L94 VanDerWaalsContact O-CG 3.29Å; I90-L94 WeakPolarHBondContact O-CG 3.49Å; I90-L94 PolarHBondContact O-N 2.94Å
91	K	69.3	Low	61.8	Low	96 Å²	96	69.1 Å²	69.1	42%	0.417	36%	0.357	S	S	.	.	H	α-helix	trans	-65	-23	176.1	-70.8	160.1	-158	172.8	0	113	D87 L88 K95	D87-K91 VanDerWaalsContact CG-CE 3.43Å; D87-K91 VanDerWaalsContact O-CB 3.29Å; D87-K91 WeakPolarHBondContact O-CB 3.5Å; D87-K91 WeakPolarHBondContact O-CD 3.27Å; D87-K91 WeakPolarHBondContact O-CE 3.17Å; D87-K91 WeakPolarHBondContact O-CG 3.41Å; D87-K91 PolarHBondContact O-N 3.32Å; D87-K91 WeakPolarHBondContact OD1-CE 3.13Å; D87-K91 IonicContact OD1-NZ 2.79Å; D87-K91 PolarHBondContact OD1-NZ 3.21Å; D87-K91 WeakPolarHBondContact OD2-CE 3.24Å; D87-K91 IonicContact OD2-NZ 3.11Å; D87-K91 PolarHBondContact OD2-NZ 3.22Å; L88-K91 CarbonylContact O-C 3.58Å; L88-K91 PolarHBondContact O-N 3.25Å; K91-K95 WeakPolarHBondContact O-CB 3.26Å; K91-K95 VanDerWaalsContact O-CD 3.3Å; K91-K95 WeakPolarHBondContact O-CD 3.37Å; K91-K95 WeakPolarHBondContact O-CG 3.38Å
92	V	60.4	Low	59.5	Low	49 Å²	49	71.3 Å²	71.3	30%	0.297	37%	0.367	S	S	.	.	H	α-helix	trans	-82.9	-50.8	172.2	170.5	0	0	0	0	111.3	L88 I89 I90 L94 K95 Q96 F125	L88-V92 WeakPolarHBondContact O-CG2 3.47Å; L88-V92 PolarHBondContact O-N 2.92Å; I89-V92 CarbonylContact O-C 3.5Å; I89-V92 PolarHBondContact O-N 2.99Å; I89-V92 VanDerWaalsContact O-N 3.17Å; I90-V92 PolarHBondContact O-N 2.89Å; V92-L94 PolarHBondContact O-N 2.94Å; V92-K95 CarbonylContact O-C 3.58Å; V92-K95 PolarHBondContact O-N 3.37Å; V92-Q96 HydrophobicContact CG1-CG 4.3Å; V92-Q96 WeakPolarHBondContact O-CG 3.3Å; V92-Q96 PolarHBondContact O-N 3.29Å; V92-F125 HydrophobicContact CG2-CZ 4.32Å
93	K	59.3	Low	57	Low	58 Å²	58	77 Å²	77	25%	0.252	40%	0.395	S	S	.	.	H	α-helix	trans	-50.3	-56.2	173.5	-86.5	-165.9	177.7	-174	0	110.9	D47 I89 I90 K95 Q96 E97	D47-K93 PolarHBondContact O-NZ 3.34Å; I89-K93 WeakPolarHBondContact O-CB 3.21Å; I89-K93 PolarHBondContact O-N 3.34Å; I90-K93 PolarHBondContact O-N 3.08Å; K93-K95 PolarHBondContact O-N 3.28Å; K93-Q96 CarbonylContact O-C 3.59Å; K93-Q96 WeakPolarHBondContact O-CA 3.46Å; K93-Q96 PolarHBondContact O-N 3.44Å; K93-E97 WeakPolarHBondContact O-CB 3.43Å; K93-E97 WeakPolarHBondContact O-CG 3.33Å; K93-E97 PolarHBondContact O-N 3.49Å
94	L	61.9	Low	54.7	Low	75 Å²	75	77 Å²	77	39%	0.393	40%	0.395	S	S	.	.	H	α-helix	trans	-62.1	-19	179.5	-69.3	173.6	0	0	0	114.3	I90 V92 K98	I90-L94 HydrophobicContact CG2-CD1 3.63Å; I90-L94 HydrophobicContact CG2-CG 4.2Å; I90-L94 VanDerWaalsContact O-CB 3.29Å; I90-L94 WeakPolarHBondContact O-CB 3.48Å; I90-L94 VanDerWaalsContact O-CG 3.29Å; I90-L94 WeakPolarHBondContact O-CG 3.49Å; I90-L94 PolarHBondContact O-N 2.94Å; V92-L94 PolarHBondContact O-N 2.94Å; L94-K98 WeakPolarHBondContact O-CD 3.43Å; L94-K98 WeakPolarHBondContact O-CE 3.48Å; L94-K98 VanDerWaalsContact O-CG 3.22Å; L94-K98 WeakPolarHBondContact O-CG 3.39Å
95	K	49.8	Very low	52.4	Low	87 Å²	87	80.3 Å²	80.3	38%	0.378	42%	0.419	S	S	.	.	H	α-helix	trans	-88.1	-38.7	171.6	-76.7	176.6	-175.7	-179.5	0	111.2	K91 V92 K93 C99 F125	K91-K95 WeakPolarHBondContact O-CB 3.26Å; K91-K95 VanDerWaalsContact O-CD 3.3Å; K91-K95 WeakPolarHBondContact O-CD 3.37Å; K91-K95 WeakPolarHBondContact O-CG 3.38Å; V92-K95 CarbonylContact O-C 3.58Å; V92-K95 PolarHBondContact O-N 3.37Å; K93-K95 PolarHBondContact O-N 3.28Å; K95-C99 PolarHBondContact O-N 2.95Å; K95-C99 PolarHBondContact O-SG 3.1Å; K95-F125 HydrophobicContact CD-CE2 3.75Å; K95-F125 HydrophobicContact CD-CZ 4.03Å; K95-F125 VanDerWaalsContact NZ-CZ 3.34Å
96	Q	44.5	Very low	50.1	Low	122 Å²	122	86 Å²	86	57%	0.57	45%	0.451	S	S	*	.	H	α-helix	trans	-65.2	-46.4	174.2	-70.6	-176.7	5.2	0	0	111.6	V92 K93 K98 C99 T100	V92-Q96 HydrophobicContact CG1-CG 4.3Å; V92-Q96 WeakPolarHBondContact O-CG 3.3Å; V92-Q96 PolarHBondContact O-N 3.29Å; K93-Q96 CarbonylContact O-C 3.59Å; K93-Q96 WeakPolarHBondContact O-CA 3.46Å; K93-Q96 PolarHBondContact O-N 3.44Å; Q96-K98 VanDerWaalsContact C-N 3.31Å; Q96-K98 PolarHBondContact O-N 2.98Å; Q96-C99 CarbonylContact O-C 3.58Å; Q96-C99 WeakPolarHBondContact O-CA 3.33Å; Q96-C99 WeakPolarHBondContact O-CB 3.43Å; Q96-C99 PolarHBondContact O-N 2.76Å; Q96-T100 PolarHBondContact O-N 2.98Å; Q96-T100 PolarHBondContact O-OG1 3.3Å
97	E	42.9	Very low	47.6	Very low	79 Å²	79	95.2 Å²	95.2	37%	0.369	48%	0.479	S	S	.	.	H	α-helix	trans	-60.3	-37.5	177.8	-73.1	156.4	-160.5	0	0	112.8	K93 C99 T100 N101	K93-E97 WeakPolarHBondContact O-CB 3.43Å; K93-E97 WeakPolarHBondContact O-CG 3.33Å; K93-E97 PolarHBondContact O-N 3.49Å; E97-C99 PolarHBondContact O-N 2.97Å; E97-T100 WeakPolarHBondContact CA-OG1 3.38Å; E97-T100 PolarHBondContact O-N 3.03Å; E97-T100 PolarHBondContact O-OG1 3.03Å; E97-N101 WeakPolarHBondContact O-CB 3.22Å; E97-N101 PolarHBondContact O-N 3.04Å; E97-N101 PolarHBondContact O-ND2 3.24Å
98	K	39.5	Very low	45.3	Very low	142 Å²	142	96.9 Å²	96.9	62%	0.617	50%	0.497	S	S	*	.	H	α-helix	trans	-69.7	-21.4	174	-72.5	171.7	-166.1	158.7	0	112.5	L94 Q96 I102	L94-K98 WeakPolarHBondContact O-CD 3.43Å; L94-K98 WeakPolarHBondContact O-CE 3.48Å; L94-K98 VanDerWaalsContact O-CG 3.22Å; L94-K98 WeakPolarHBondContact O-CG 3.39Å; Q96-K98 VanDerWaalsContact C-N 3.31Å; Q96-K98 PolarHBondContact O-N 2.98Å; K98-I102 WeakPolarHBondContact O-CD1 3.43Å; K98-I102 WeakPolarHBondContact O-CG1 3.47Å
99	C	33.1	Very low	43.7	Very low	55 Å²	55	100.8 Å²	100.8	37%	0.372	52%	0.523	S	S	.	.	H	α-helix	trans	-86.3	-38.9	169.9	-69.3	0	0	0	0	112.6	K95 Q96 E97 L103	K95-C99 PolarHBondContact O-N 2.95Å; K95-C99 PolarHBondContact O-SG 3.1Å; Q96-C99 CarbonylContact O-C 3.58Å; Q96-C99 WeakPolarHBondContact O-CA 3.33Å; Q96-C99 WeakPolarHBondContact O-CB 3.43Å; Q96-C99 PolarHBondContact O-N 2.76Å; E97-C99 PolarHBondContact O-N 2.97Å; C99-L103 WeakPolarHBondContact O-CD1 3.19Å
100	T	34.4	Very low	41.7	Very low	75 Å²	75	107.7 Å²	107.7	46%	0.46	55%	0.554	S	S	.	*	H	α-helix	trans	-79.2	-34.7	-175.5	55	0	0	0	0	113.7	Q96 E97 I102 L103 V104	Q96-T100 PolarHBondContact O-N 2.98Å; Q96-T100 PolarHBondContact O-OG1 3.3Å; E97-T100 WeakPolarHBondContact CA-OG1 3.38Å; E97-T100 PolarHBondContact O-N 3.03Å; E97-T100 PolarHBondContact O-OG1 3.03Å; T100-I102 PolarHBondContact O-N 3.18Å; T100-I102 VanDerWaalsContact O-N 3.14Å; T100-L103 WeakPolarHBondContact O-CB 3.3Å; T100-L103 PolarHBondContact O-N 3.08Å; T100-V104 PolarHBondContact O-N 3.27Å
101	N	29.2	Very low	40	Very low	96 Å²	96	110 Å²	110	51%	0.513	57%	0.572	S	S	.	*	H	α-helix	trans	-60.4	-25	174.4	-81.2	-71.6	0	0	0	112.4	E97 L103 T105	E97-N101 WeakPolarHBondContact O-CB 3.22Å; E97-N101 PolarHBondContact O-N 3.04Å; E97-N101 PolarHBondContact O-ND2 3.24Å; N101-L103 VanDerWaalsContact C-N 3.31Å; N101-L103 PolarHBondContact O-N 3.28Å; N101-T105 WeakPolarHBondContact O-CG2 3.18Å; N101-T105 PolarHBondContact O-OG1 3.22Å; N101-T105 VanDerWaalsContact O-OG1 3.09Å
102	I	32.5	Very low	38.2	Very low	74 Å²	74	112.6 Å²	112.6	38%	0.379	59%	0.591	S	S	.	*	H	α-helix	trans	-72.6	-22	174.3	-63.5	174.7	0	0	0	112.4	K98 T100 N106 F429	K98-I102 WeakPolarHBondContact O-CD1 3.43Å; K98-I102 WeakPolarHBondContact O-CG1 3.47Å; T100-I102 PolarHBondContact O-N 3.18Å; T100-I102 VanDerWaalsContact O-N 3.14Å; I102-N106 PolarHBondContact O-ND2 2.87Å; I102-F429 HydrophobicContact CD1-CD1 3.6Å; I102-F429 HydrophobicContact CD1-CE1 4.01Å
103	L	30	Very low	37.1	Very low	139 Å²	139	122.3 Å²	122.3	73%	0.728	62%	0.622	S	S	*	*	H	α-helix	trans	-85.2	-28.4	177.7	-83.5	78.3	0	0	0	113.3	C99 T100 N101	C99-L103 WeakPolarHBondContact O-CD1 3.19Å; T100-L103 WeakPolarHBondContact O-CB 3.3Å; T100-L103 PolarHBondContact O-N 3.08Å; N101-L103 VanDerWaalsContact C-N 3.31Å; N101-L103 PolarHBondContact O-N 3.28Å
104	V	33.4	Very low	35.7	Very low	116 Å²	116	130.1 Å²	130.1	70%	0.703	65%	0.65	S	S	*	*	H	α-helix	trans	-91.9	-32.4	-171.3	-176.5	0	0	0	0	112.9	T100 N106	T100-V104 PolarHBondContact O-N 3.27Å; V104-N106 VanDerWaalsContact C-N 3.34Å; V104-N106 PolarHBondContact O-N 2.8Å
105	T	32.9	Very low	34.3	Very low	101 Å²	101	133.2 Å²	133.2	62%	0.62	67%	0.667	S	S	*	*			trans	-84.8	10.5	-167.8	59.5	0	0	0	0	116.1	N101 R107	N101-T105 WeakPolarHBondContact O-CG2 3.18Å; N101-T105 PolarHBondContact O-OG1 3.22Å; N101-T105 VanDerWaalsContact O-OG1 3.09Å; T105-R107 PolarHBondContact O-N 2.76Å
106	N	29.4	Very low	33.7	Very low	142 Å²	142	138.7 Å²	138.7	76%	0.759	69%	0.694	S	S	*	*			trans	-79.6	32.2	179.8	-85.5	-72.4	0	0	0	114.3	I102 V104	I102-N106 PolarHBondContact O-ND2 2.87Å; V104-N106 VanDerWaalsContact C-N 3.34Å; V104-N106 PolarHBondContact O-N 2.8Å
107	R	27.5	Very low	32.9	Very low	233 Å²	233	142 Å²	142	88%	0.879	71%	0.709	S	S	*	*	S	Bend	trans	-109.4	109.8	170.1	-81.2	-169	173.4	-161.5	0.4	111.2	T105	T105-R107 PolarHBondContact O-N 2.76Å
108	S	28.6	Very low	32.1	Very low	113 Å²	113	143.1 Å²	143.1	79%	0.79	73%	0.726	S	S	*	*	S	Bend	trans	83.1	157.9	163.6	-146.6	0	0	0	0	119.1
109	T	35.8	Very low	31.5	Very low	130 Å²	130	145.5 Å²	145.5	80%	0.798	74%	0.736	S	S	*	*			trans	58.8	108.6	171.6	63.9	0	0	0	0	120.7
110	H	28.6	Very low	31.2	Very low	189 Å²	189	151.2 Å²	151.2	88%	0.875	76%	0.761	S	S	*	*			trans	-72.2	141.6	156	-97.3	-91.7	0	0	0	111.2
111	T	37.1	Very low	30.9	Very low	138 Å²	138	154.2 Å²	154.2	85%	0.847	78%	0.779	S	S	*	*			trans	-163.1	165.9	138.4	8.1	0	0	0	0	113
112	N	31.8	Very low	30.7	Very low	152 Å²	152	153.7 Å²	153.7	81%	0.813	78%	0.779	S	S	*	*			trans	-72.5	141.1	-178.7	-81.6	-91.8	0	0	0	113.1
113	R	37.4	Very low	30.4	Very low	253 Å²	253	153.9 Å²	153.9	96%	0.955	79%	0.792	S	S	*	*				-158	168.5	122	-109.7	163.3	-165.7	-156.8	3.5	112.8
114	R	30.4	Very low	30.2	Very low	221 Å²	221	150.8 Å²	150.8	83%	0.834	78%	0.782	S	S	*	*			trans	-147.2	143.3	-158.2	-169.3	-179.5	-169.9	166.2	4.7	109.6
115	N	30.6	Very low	29.9	Very low	140 Å²	140	151.2 Å²	151.2	75%	0.749	77%	0.774	S	S	*	*			trans	62.8	105.8	177.1	-60.9	-4.1	0	0	0	116.9
116	Q	38.3	Very low	29.7	Very low	202 Å²	202	151.2 Å²	151.2	94%	0.944	78%	0.775	S	S	*	*				-158.1	134.9	123.9	-111.2	158.3	94.3	0	0	110.7
117	H	27	Very low	29.6	Very low	191 Å²	191	149.3 Å²	149.3	88%	0.884	77%	0.77	S	S	*	*			trans	-110.6	134.3	172.1	-101.8	-102.7	0	0	0	108
118	S	27.3	Very low	29.7	Very low	103 Å²	103	143.1 Å²	143.1	72%	0.72	75%	0.754	S	S	*	*				162.5	154.9	122.2	59.5	0	0	0	0	112.3
119	K	26.5	Very low	29.7	Very low	193 Å²	193	144.1 Å²	144.1	84%	0.839	76%	0.755	S	S	*	*			trans	59.4	118.6	166	-56.8	176.1	-176.1	179.7	0	117.8
120	I	26	Very low	29.4	Very low	174 Å²	174	140.7 Å²	140.7	89%	0.892	74%	0.74	S	S	*	*			trans	-162.4	154.8	140.1	-103.7	152.2	0	0	0	108
121	V	28.6	Very low	29.6	Very low	138 Å²	138	137 Å²	137	84%	0.836	73%	0.727	S	S	*	*			trans	-88.8	150.9	-164.2	179.6	0	0	0	0	112.5
122	V	24.5	Very low	29.5	Very low	85 Å²	85	134.3 Å²	134.3	52%	0.515	71%	0.712	S	S	.	*			trans	-86	135.4	176.7	179.2	0	0	0	0	110.4	P426	V122-P426 HydrophobicContact CG2-CG 4.31Å
123	A	26.9	Very low	29.5	Very low	78 Å²	78	134.9 Å²	134.9	65%	0.645	71%	0.71	S	S	*	*			trans	-127.1	94.4	171.8	0	0	0	0	0	110
124	S	26	Very low	29.6	Very low	75 Å²	75	130.8 Å²	130.8	52%	0.524	70%	0.699	S	S	.	*			trans	-60	147.3	-180	-46.2	0	0	0	0	112.1
125	F	27.1	Very low	29.8	Very low	124 Å²	124	121.6 Å²	121.6	54%	0.544	67%	0.668	S	S	.	*			trans	-94.5	92.3	148.4	-74.7	-58.4	0	0	0	106.9	L88 V92 K95	L88-F125 HydrophobicContact CD1-CE1 4.01Å; V92-F125 HydrophobicContact CG2-CZ 4.32Å; K95-F125 HydrophobicContact CD-CE2 3.75Å; K95-F125 HydrophobicContact CD-CZ 4.03Å; K95-F125 VanDerWaalsContact NZ-CZ 3.34Å
126	T	27.5	Very low	30.4	Very low	102 Å²	102	121.5 Å²	121.5	63%	0.626	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-60.9	132.6	156.5	41.9	0	0	0	0	107.6	L128	T126-L128 PolarHBondContact O-N 2.86Å
127	P	27.5	Very low	30.3	Very low	101 Å²	101	115.2 Å²	115.2	66%	0.656	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-52.9	125.5	159.4	-19.8	32.3	0	0	0	107.3	T129	P127-T129 PolarHBondContact O-N 3.3Å
128	L	30.4	Very low	30.4	Very low	104 Å²	104	108.4 Å²	108.4	55%	0.545	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-61.2	131.1	174.7	-71.6	167.3	0	0	0	107.5	T126 A130 P190 S191	T126-L128 PolarHBondContact O-N 2.86Å; L128-A130 PolarHBondContact O-N 3.34Å; L128-P190 HydrophobicContact CD1-CB 4.45Å; L128-S191 WeakPolarHBondContact CD1-O 3.4Å
129	T	28.3	Very low	30.4	Very low	133 Å²	133	106.9 Å²	106.9	82%	0.816	61%	0.606	S	S	*	*			trans	-68.7	99.7	-164.1	44.2	0	0	0	0	111	P127	P127-T129 PolarHBondContact O-N 3.3Å
130	A	30.2	Very low	30.6	Very low	59 Å²	59	101 Å²	101	49%	0.488	58%	0.581	S	S	.	*			trans	-80.4	129.6	156.8	0	0	0	0	0	108.2	L128 L258	L128-A130 PolarHBondContact O-N 3.34Å; A130-L258 HydrophobicContact CB-CD1 4.07Å
131	D	31.9	Very low	30.8	Very low	112 Å²	112	96.9 Å²	96.9	60%	0.599	56%	0.564	S	S	*	*			trans	-62.2	128.2	175.8	-79.5	-60.1	0	0	0	110.5	E133 F134	D131-E133 PolarHBondContact O-N 2.98Å; D131-F134 HydrophobicContact CB-CD2 4.36Å; D131-F134 PolarHBondContact O-N 3.46Å
132	P	34.3	Very low	31	Very low	80 Å²	80	93.7 Å²	93.7	52%	0.519	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-66.3	-12.9	-172.5	27.1	-35.3	0	0	0	113.5	C135 P139	P132-C135 WeakPolarHBondContact O-CB 3.46Å; P132-P139 HydrophobicContact CB-CG 4Å
133	E	33.9	Very low	31.2	Very low	165 Å²	165	94.1 Å²	94.1	77%	0.771	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-75.2	-24.7	-180	-57.5	-170.9	155.9	0	0	113	D131	D131-E133 PolarHBondContact O-N 2.98Å
134	F	38	Very low	31.3	Very low	167 Å²	167	91.9 Å²	91.9	73%	0.732	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-91.4	-2	176.1	-71.4	-82.9	0	0	0	113.7	D131 K136	D131-F134 HydrophobicContact CB-CD2 4.36Å; D131-F134 PolarHBondContact O-N 3.46Å; F134-K136 PolarHBondContact O-N 3.01Å
135	C	35.1	Very low	31.5	Very low	28 Å²	28	90.7 Å²	90.7	19%	0.189	52%	0.524	C	S	.	.			trans	-72.9	88.2	178.6	-67.5	0	0	0	0	111.7	P132 V137 L258	P132-C135 WeakPolarHBondContact O-CB 3.46Å; C135-V137 WeakPolarHBondContact CB-O 3.32Å; C135-V137 PolarHBondContact O-N 3.5Å; C135-L258 VanDerWaalsContact SG-CD1 3.54Å
136	K	42.6	Very low	31.7	Very low	137 Å²	137	89.1 Å²	89.1	60%	0.596	53%	0.527	S	S	*	.	S	Bend	trans	-58.3	-10.5	171.8	-68.1	-175.9	-179.7	177.3	0	113.9	F134	F134-K136 PolarHBondContact O-N 3.01Å
137	V	36.2	Very low	32.1	Very low	71 Å²	71	91.3 Å²	91.3	43%	0.43	52%	0.524	S	S	.	.	S	Bend	trans	-131	131	167.6	-165	0	0	0	0	108.4	C135 L256	C135-V137 WeakPolarHBondContact CB-O 3.32Å; C135-V137 PolarHBondContact O-N 3.5Å; V137-L256 HydrophobicContact CG2-CD1 4.39Å
138	G	29.2	Very low	32.3	Very low	48 Å²	48	91.8 Å²	91.8	50%	0.495	51%	0.512	S	S	.	.			trans	-63.2	143.6	-159.2	0	0	0	0	0	117.5	H140	G138-H140 PolarHBondContact O-N 2.98Å
139	P	28.1	Very low	32.4	Very low	71 Å²	71	92.2 Å²	92.2	46%	0.461	52%	0.524	S	S	.	.			trans	-82	95.4	-171.4	32.4	-36.1	0	0	0	113.6	P132	P132-P139 HydrophobicContact CB-CG 4Å
140	H	31.3	Very low	32.6	Very low	70 Å²	70	97 Å²	97	32%	0.324	53%	0.527	S	S	.	.			trans	-122.6	35.8	175.6	-71.9	-15.6	0	0	0	114.1	G138 S142 C146 N168 F171	G138-H140 PolarHBondContact O-N 2.98Å; H140-S142 PolarHBondContact O-N 3.35Å; H140-C146 VanDerWaalsContact CE1-SG 3.51Å; H140-N168 PolarHBondContact CD2-ND2 2.99Å; H140-F171 HydrophobicContact CB-CE2 4.33Å; H140-F171 WeakPolarHBondContact O-CE2 3.26Å
141	T	29.7	Very low	32.7	Very low	87 Å²	87	99 Å²	99	53%	0.534	54%	0.538	S	S	.	.	S	Bend	trans	-66.8	117.3	159.9	39.6	0	0	0	0	109.7
142	S	31.8	Very low	32.7	Very low	71 Å²	71	103.2 Å²	103.2	50%	0.497	55%	0.55	S	S	.	*	S	Bend	trans	74.7	148.8	-170.4	84.6	0	0	0	0	116.6	H140 D144	H140-S142 PolarHBondContact O-N 3.35Å; S142-D144 VanDerWaalsContact C-N 3.33Å; S142-D144 PolarHBondContact O-N 3.48Å
143	L	30.3	Very low	32.3	Very low	94 Å²	94	106.4 Å²	106.4	49%	0.492	56%	0.563	S	S	.	*	S	Bend	trans	-83.2	-5.2	-170.8	-124.3	153	0	0	0	113.7
144	D	28.3	Very low	32.1	Very low	31 Å²	31	105 Å²	105	17%	0.166	57%	0.57	C	S	.	*	S	Bend	trans	-92	-38.3	-167.2	-82.2	-84.8	0	0	0	115	S142 C146 R147 R148 V473 P474	S142-D144 VanDerWaalsContact C-N 3.33Å; S142-D144 PolarHBondContact O-N 3.48Å; D144-C146 PolarHBondContact O-N 3.15Å; D144-R147 PolarHBondContact O-N 2.72Å; D144-R148 IonicContact OD1-NH2 2.77Å; D144-V473 VanDerWaalsContact OD1-CG1 3.3Å; D144-V473 WeakPolarHBondContact OD1-CG1 3.41Å; D144-P474 VanDerWaalsContact OD2-CD 3.27Å; D144-P474 WeakPolarHBondContact OD2-CD 3.4Å
145	G	29.5	Very low	31.6	Very low	50 Å²	50	106.7 Å²	106.7	52%	0.515	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-61.8	-48.1	-174.3	0	0	0	0	0	112.6	R147 R148	G145-R147 PolarHBondContact O-N 2.99Å; G145-R148 PolarHBondContact O-N 3.33Å
146	C	31.8	Very low	31.3	Very low	91 Å²	91	108.4 Å²	108.4	62%	0.615	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-69.6	-16.8	-176.4	-154.7	0	0	0	0	113.4	H140 D144	H140-C146 VanDerWaalsContact CE1-SG 3.51Å; D144-C146 PolarHBondContact O-N 3.15Å
147	R	35.2	Very low	30.6	Very low	148 Å²	148	111.9 Å²	111.9	56%	0.558	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-83.9	-5.2	175.8	-76.1	-171.5	172.3	-151.1	-2.8	114.5	D144 G145 E503	D144-R147 PolarHBondContact O-N 2.72Å; G145-R147 PolarHBondContact O-N 2.99Å; R147-E503 IonicContact CZ-OE2 2.68Å; R147-E503 VanDerWaalsContact CZ-OE2 3.3Å; R147-E503 IonicContact NH1-OE2 2.84Å; R147-E503 PolarHBondContact NH1-OE2 3.42Å; R147-E503 IonicContact NH2-OE2 2.86Å; R147-E503 PolarHBondContact NH2-OE2 3.15Å
148	R	31.7	Very low	30	Very low	111 Å²	111	115.9 Å²	115.9	42%	0.419	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.4	-29.3	-172	-61.6	-176.6	-166.9	-121.8	4.5	115.9	D144 G145 R150 F477	D144-R148 IonicContact OD1-NH2 2.77Å; G145-R148 PolarHBondContact O-N 3.33Å; R148-R150 PolarHBondContact O-N 3.34Å; R148-F477 VanDerWaalsContact NH1-CB 3.33Å
149	S	33.7	Very low	29.9	Very low	112 Å²	112	118.8 Å²	118.8	78%	0.783	64%	0.641	S	S	*	*			trans	-81.9	43.5	-170.5	-150.2	0	0	0	0	115.4
150	R	32.8	Very low	29.8	Very low	235 Å²	235	122.8 Å²	122.8	89%	0.887	65%	0.651	S	S	*	*			trans	-109.9	14.2	179.6	-126.2	179.3	-175.8	-161.7	0	114.8	R148	R148-R150 PolarHBondContact O-N 3.34Å
151	S	30.7	Very low	29.5	Very low	101 Å²	101	128.3 Å²	128.3	71%	0.706	68%	0.68	S	S	*	*	S	Bend	trans	-90.7	118.1	165.7	50.6	0	0	0	0	110.2	N153	S151-N153 PolarHBondContact O-N 3.41Å
152	K	32	Very low	29.4	Very low	199 Å²	199	132.3 Å²	132.3	87%	0.865	69%	0.686	S	S	*	*			trans	-66	118.8	-179.9	-58.1	172.5	-177.3	176.8	0	110.5
153	N	27	Very low	29.5	Very low	147 Å²	147	133.4 Å²	133.4	79%	0.786	69%	0.686	S	S	*	*			trans	168.6	82	140.2	-89.3	1.5	0	0	0	111.6	S151	S151-N153 PolarHBondContact O-N 3.41Å
154	C	30.1	Very low	29.3	Very low	136 Å²	136	134.1 Å²	134.1	92%	0.919	71%	0.705	S	S	*	*			trans	-139.6	106	151.5	-80.3	0	0	0	0	106.9
155	F	26.7	Very low	29.5	Very low	203 Å²	203	136.1 Å²	136.1	89%	0.89	73%	0.734	S	S	*	*			trans	-104	124.7	166.2	-92.2	-88.9	0	0	0	107.7
156	G	28.6	Very low	29.6	Very low	64 Å²	64	138.8 Å²	138.8	66%	0.66	73%	0.734	S	S	*	*			trans	-159.9	147.2	176.5	0	0	0	0	0	107
157	Y	27	Very low	29.7	Very low	209 Å²	209	138.7 Å²	138.7	82%	0.82	73%	0.732	S	S	*	*	S	Bend	trans	-91.2	158.4	-161.7	-72.4	-101.1	0	0	0	113.5
158	D	24.4	Very low	29.6	Very low	156 Å²	156	134.5 Å²	134.5	83%	0.834	72%	0.721	S	S	*	*			trans	73.5	10.6	166.3	-59.2	-20.1	0	0	0	121.5	K160	D158-K160 PolarHBondContact O-N 3.31Å
159	C	26.9	Very low	29.8	Very low	108 Å²	108	130 Å²	130	73%	0.73	71%	0.707	S	S	*	*			trans	-73.6	83	164.1	-68.9	0	0	0	0	113.5	M161	C159-M161 PolarHBondContact O-N 3.42Å
160	K	26.4	Very low	30.1	Very low	156 Å²	156	127.1 Å²	127.1	68%	0.678	68%	0.68	S	S	*	*			trans	-73.1	106	164.4	-85.5	178.3	165	-173.9	0	111.2	D158 Y162	D158-K160 PolarHBondContact O-N 3.31Å; K160-Y162 HydrophobicContact CB-CD2 4.04Å; K160-Y162 HydrophobicContact CB-CE2 3.71Å; K160-Y162 HydrophobicContact CD-CE2 3.69Å; K160-Y162 HydrophobicContact CG-CE2 4.32Å; K160-Y162 PolarHBondContact NZ-OH 3.03Å; K160-Y162 VanDerWaalsContact NZ-OH 3.15Å; K160-Y162 PolarHBondContact O-N 3.48Å; K160-Y162 VanDerWaalsContact O-N 3.12Å
161	M	25.6	Very low	30.6	Very low	186 Å²	186	117.5 Å²	117.5	92%	0.916	64%	0.644	S	S	*	*			trans	-71.6	100.4	170	-66.2	-174.2	72.5	0	0	111.3	C159	C159-M161 PolarHBondContact O-N 3.42Å
162	Y	25.9	Very low	31.1	Very low	170 Å²	170	114.6 Å²	114.6	67%	0.667	62%	0.621	S	S	*	*			trans	-88.4	159.5	167.1	-75	-80.4	0	0	0	111.4	K160	K160-Y162 HydrophobicContact CB-CD2 4.04Å; K160-Y162 HydrophobicContact CB-CE2 3.71Å; K160-Y162 HydrophobicContact CD-CE2 3.69Å; K160-Y162 HydrophobicContact CG-CE2 4.32Å; K160-Y162 PolarHBondContact NZ-OH 3.03Å; K160-Y162 VanDerWaalsContact NZ-OH 3.15Å; K160-Y162 PolarHBondContact O-N 3.48Å; K160-Y162 VanDerWaalsContact O-N 3.12Å
163	L	34.3	Very low	31.2	Very low	94 Å²	94	111.5 Å²	111.5	49%	0.492	62%	0.623	S	S	.	*			trans	65	52.5	-176.8	-58.1	178.2	0	0	0	116.4	G165 V298	L163-G165 PolarHBondContact O-N 3.28Å; L163-V298 HydrophobicContact CD1-CG2 4.17Å
164	A	27.3	Very low	31.7	Very low	109 Å²	109	108.9 Å²	108.9	90%	0.901	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	120	153.8	0	0	0	0	0	109.7
165	G	31.3	Very low	31.9	Very low	74 Å²	74	104.3 Å²	104.3	76%	0.763	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	146.7	-31.3	175.1	0	0	0	0	0	114.8	L163	L163-G165 PolarHBondContact O-N 3.28Å
166	M	32.7	Very low	32.7	Very low	105 Å²	105	96.7 Å²	96.7	52%	0.517	55%	0.55	S	S	.	.			trans	-66.7	130.2	178.9	-77.5	-67.6	-82	0	0	111.7
167	P	34.1	Very low	33.4	Very low	90 Å²	90	95.2 Å²	95.2	58%	0.584	53%	0.529	S	S	*	.			trans	-55.7	142.3	163.8	-21.7	33.1	0	0	0	109.8	A169	P167-A169 PolarHBondContact O-N 3.16Å
168	N	32.8	Very low	34.5	Very low	60 Å²	60	87.3 Å²	87.3	32%	0.321	50%	0.499	S	S	.	.			trans	-58.4	108.9	177.2	-179.1	-9.4	0	0	0	109.1	H140 Y170 F171	H140-N168 PolarHBondContact CD2-ND2 2.99Å; N168-Y170 PolarHBondContact O-N 2.85Å; N168-F171 VanDerWaalsContact ND2-CD2 3.26Å; N168-F171 WeakPolarHBondContact ND2-CD2 3.36Å; N168-F171 PolarHBondContact O-N 2.77Å
169	A	35.8	Very low	35.5	Very low	16 Å²	16	80.3 Å²	80.3	13%	0.132	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-25.9	-166.1	0	0	0	0	0	114.7	P167 P348	P167-A169 PolarHBondContact O-N 3.16Å; A169-P348 HydrophobicContact CB-CG 3.79Å
170	Y	40.2	Very low	36.7	Very low	52 Å²	52	75.4 Å²	75.4	20%	0.204	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-19.4	-175.7	-62.8	-95.1	0	0	0	113.6	N168 P177 F178 V181	N168-Y170 PolarHBondContact O-N 2.85Å; Y170-P177 CarbonylContact O-C 3.57Å; Y170-P177 WeakPolarHBondContact O-CA 3.32Å; Y170-F178 PolarHBondContact O-N 3.49Å; Y170-V181 HydrophobicContact CD1-CB 4.27Å; Y170-V181 HydrophobicContact CD1-CG1 3.28Å; Y170-V181 HydrophobicContact CE1-CG1 3.39Å; Y170-V181 HydrophobicContact CG-CG1 4.03Å
171	F	42.1	Very low	38.1	Very low	32 Å²	32	68.2 Å²	68.2	14%	0.14	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-134.2	146	-164.5	-57.2	-96.7	0	0	0	116	H140 N168 G175 R176 P177 F178	H140-F171 HydrophobicContact CB-CE2 4.33Å; H140-F171 WeakPolarHBondContact O-CE2 3.26Å; N168-F171 VanDerWaalsContact ND2-CD2 3.26Å; N168-F171 WeakPolarHBondContact ND2-CD2 3.36Å; N168-F171 PolarHBondContact O-N 2.77Å; F171-G175 WeakPolarHBondContact CD1-O 3.5Å; F171-R176 CarbonylContact C-O 3.43Å; F171-R176 WeakPolarHBondContact CA-O 3.41Å; F171-P177 HydrophobicContact CD1-CB 4.41Å; F171-P177 HydrophobicContact CE1-CB 4.37Å; F171-F178 WeakPolarHBondContact O-CE2 3.1Å
172	D	42.5	Very low	39.5	Very low	41 Å²	41	61.1 Å²	61.1	22%	0.219	36%	0.363	C	S	.	.			trans	-70	176.2	172.4	86.7	-23.9	0	0	0	113.4	N174 G175 R176 F178	D172-N174 PolarHBondContact O-N 2.72Å; D172-N174 VanDerWaalsContact OD1-CA 3.27Å; D172-N174 WeakPolarHBondContact OD1-CA 3.1Å; D172-N174 VanDerWaalsContact OD1-CB 3.28Å; D172-N174 WeakPolarHBondContact OD1-CB 3.45Å; D172-N174 PolarHBondContact OD1-N 3.15Å; D172-N174 PolarHBondContact OD2-ND2 2.95Å; D172-G175 PolarHBondContact O-N 2.97Å; D172-G175 PolarHBondContact OD1-N 3.49Å; D172-G175 VanDerWaalsContact OD1-N 3.08Å; D172-R176 PolarHBondContact N-O 2.79Å; D172-R176 WeakPolarHBondContact OD1-CA 3.4Å; D172-R176 VanDerWaalsContact OD1-CB 3.25Å; D172-R176 WeakPolarHBondContact OD1-CB 3.29Å; D172-R176 WeakPolarHBondContact OD1-CG 3.16Å; D172-R176 PolarHBondContact OD1-N 2.91Å; D172-F178 HydrophobicContact CB-CD1 4.35Å; D172-F178 HydrophobicContact CB-CE1 3.76Å; D172-F178 HydrophobicContact CB-CZ 4.03Å
173	C	34	Very low	41	Very low	133 Å²	133	54.4 Å²	54.4	90%	0.899	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-6.7	176	60.4	0	0	0	0	115.1
174	N	36	Very low	42.5	Very low	93 Å²	93	50.3 Å²	50.3	50%	0.497	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	1.6	172.2	-57.5	-94.9	0	0	0	112.7	D172 R176	D172-N174 PolarHBondContact O-N 2.72Å; D172-N174 VanDerWaalsContact OD1-CA 3.27Å; D172-N174 WeakPolarHBondContact OD1-CA 3.1Å; D172-N174 VanDerWaalsContact OD1-CB 3.28Å; D172-N174 WeakPolarHBondContact OD1-CB 3.45Å; D172-N174 PolarHBondContact OD1-N 3.15Å; D172-N174 PolarHBondContact OD2-ND2 2.95Å; N174-R176 HydrophobicContact CB-CG 4.01Å
175	G	34.9	Very low	44.2	Very low	40 Å²	40	48.4 Å²	48.4	41%	0.412	29%	0.291	S	S	.	.	S	Bend	trans	73.5	33.5	-173.2	0	0	0	0	0	114	F171 D172	F171-G175 WeakPolarHBondContact CD1-O 3.5Å; D172-G175 PolarHBondContact O-N 2.97Å; D172-G175 PolarHBondContact OD1-N 3.49Å; D172-G175 VanDerWaalsContact OD1-N 3.08Å
176	R	44	Very low	45.9	Very low	42 Å²	42	51.9 Å²	51.9	16%	0.158	28%	0.282	C	S	.	.			trans	-108.1	136	179.6	-56.3	167.9	-176.3	-78.8	-23.5	111.4	F171 D172 N174 F178 C409 S410 R465	F171-R176 CarbonylContact C-O 3.43Å; F171-R176 WeakPolarHBondContact CA-O 3.41Å; D172-R176 PolarHBondContact N-O 2.79Å; D172-R176 WeakPolarHBondContact OD1-CA 3.4Å; D172-R176 VanDerWaalsContact OD1-CB 3.25Å; D172-R176 WeakPolarHBondContact OD1-CB 3.29Å; D172-R176 WeakPolarHBondContact OD1-CG 3.16Å; D172-R176 PolarHBondContact OD1-N 2.91Å; N174-R176 HydrophobicContact CB-CG 4.01Å; R176-F178 PolarHBondContact O-N 3.37Å; R176-C409 PolarHBondContact NH1-O 2.88Å; R176-S410 PolarHBondContact NH1-O 3.19Å; R176-S410 PolarHBondContact NH2-O 2.97Å; R176-S410 VanDerWaalsContact NH2-O 3.12Å; R176-R465 VanDerWaalsContact NH2-CZ 3.28Å; R176-R465 VanDerWaalsContact NH2-NE 3.14Å
177	P	43.4	Very low	48.2	Very low	33 Å²	33	46.9 Å²	46.9	21%	0.214	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-62.8	134.2	-177	24.2	-33.2	0	0	0	112.4	Y170 F171	Y170-P177 CarbonylContact O-C 3.57Å; Y170-P177 WeakPolarHBondContact O-CA 3.32Å; F171-P177 HydrophobicContact CD1-CB 4.41Å; F171-P177 HydrophobicContact CE1-CB 4.37Å
178	F	49.6	Very low	50.6	Low	44 Å²	44	42.7 Å²	42.7	19%	0.193	23%	0.231	C	C	.	.			trans	-75.7	146.1	174.3	-68.1	-67	0	0	0	111.9	Y170 F171 D172 R176 L180 V181 T349	Y170-F178 PolarHBondContact O-N 3.49Å; F171-F178 WeakPolarHBondContact O-CE2 3.1Å; D172-F178 HydrophobicContact CB-CD1 4.35Å; D172-F178 HydrophobicContact CB-CE1 3.76Å; D172-F178 HydrophobicContact CB-CZ 4.03Å; R176-F178 PolarHBondContact O-N 3.37Å; F178-L180 PolarHBondContact O-N 3.19Å; F178-V181 HydrophobicContact CB-CG2 3.88Å; F178-T349 HydrophobicContact CB-CG2 4.34Å; F178-T349 WeakPolarHBondContact CB-OG1 3.05Å
179	G	45.2	Very low	53.1	Low	8 Å²	8	40.5 Å²	40.5	8%	0.082	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-15.2	-165.9	0	0	0	0	0	118.1	R405	G179-R405 WeakPolarHBondContact CA-O 3.34Å
180	L	52.3	Low	54.9	Low	5 Å²	5	40.8 Å²	40.8	3%	0.026	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-12.6	179.5	-72.3	-175.6	0	0	0	114.2	F178 E182 E183 T349 C380 K382 R405	F178-L180 PolarHBondContact O-N 3.19Å; L180-E182 PolarHBondContact O-N 2.71Å; L180-E182 VanDerWaalsContact O-N 3.11Å; L180-E183 WeakPolarHBondContact O-CB 3.37Å; L180-E183 PolarHBondContact O-N 2.76Å; L180-T349 HydrophobicContact CB-CG2 4.21Å; L180-T349 HydrophobicContact CD1-CG2 4.35Å; L180-T349 WeakPolarHBondContact CD1-O 3.37Å; L180-T349 HydrophobicContact CG-CG2 4.35Å; L180-C380 HydrophobicContact CD1-CB 3.44Å; L180-C380 VanDerWaalsContact CD1-CB 3.44Å; L180-C380 HydrophobicContact CG-CB 4.2Å; L180-K382 HydrophobicContact CD1-CD 4Å; L180-K382 VanDerWaalsContact CD1-CE 3.45Å; L180-R405 HydrophobicContact CD2-CB 3.87Å; L180-R405 HydrophobicContact CD2-CG 4.21Å
181	V	56.4	Low	56.2	Low	5 Å²	5	40.1 Å²	40.1	3%	0.03	22%	0.222	C	C	.	.	H	α-helix	trans	-69.6	-14.9	-174.5	-165.5	0	0	0	0	111.4	Y170 F178 E183 L184 T349	Y170-V181 HydrophobicContact CD1-CB 4.27Å; Y170-V181 HydrophobicContact CD1-CG1 3.28Å; Y170-V181 HydrophobicContact CE1-CG1 3.39Å; Y170-V181 HydrophobicContact CG-CG1 4.03Å; F178-V181 HydrophobicContact CB-CG2 3.88Å; V181-E183 PolarHBondContact O-N 3.04Å; V181-L184 PolarHBondContact O-N 3Å; V181-T349 WeakPolarHBondContact CG2-OG1 3.47Å
182	E	54.1	Low	57.4	Low	37 Å²	37	42.1 Å²	42.1	17%	0.173	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-28.2	167.5	-54.5	-153.8	112.6	0	0	113.5	L180 N185 Y186 S417	L180-E182 PolarHBondContact O-N 2.71Å; L180-E182 VanDerWaalsContact O-N 3.11Å; E182-N185 WeakPolarHBondContact O-CB 3.42Å; E182-N185 PolarHBondContact O-N 3.03Å; E182-Y186 WeakPolarHBondContact O-CD2 3.32Å; E182-Y186 WeakPolarHBondContact O-CE2 3.14Å; E182-S417 VanDerWaalsContact CD-CA 3.43Å; E182-S417 WeakPolarHBondContact OE1-CA 3.21Å; E182-S417 WeakPolarHBondContact OE1-CB 3.16Å; E182-S417 PolarHBondContact OE1-OG 2.92Å; E182-S417 VanDerWaalsContact OE2-CA 3.27Å; E182-S417 WeakPolarHBondContact OE2-CA 3.21Å; E182-S417 WeakPolarHBondContact OE2-CB 3.19Å; E182-S417 PolarHBondContact OE2-N 2.78Å
183	E	58.2	Low	58.3	Low	29 Å²	29	45.8 Å²	45.8	14%	0.136	26%	0.256	C	S	.	.	H	α-helix	trans	-75.5	-30.3	-177.3	-62.9	-178.6	163.8	0	0	111.1	L64 L180 V181 N185 Y186 R405	L64-E183 HydrophobicContact CD1-CB 4.38Å; L180-E183 WeakPolarHBondContact O-CB 3.37Å; L180-E183 PolarHBondContact O-N 2.76Å; V181-E183 PolarHBondContact O-N 3.04Å; E183-N185 VanDerWaalsContact C-N 3.25Å; E183-N185 PolarHBondContact O-N 3.33Å; E183-Y186 PolarHBondContact O-N 3.33Å; E183-R405 VanDerWaalsContact OE1-CD 3.24Å; E183-R405 WeakPolarHBondContact OE1-CD 3.5Å; E183-R405 IonicContact OE1-CZ 2.63Å; E183-R405 IonicContact OE1-NE 3.43Å; E183-R405 PolarHBondContact OE1-NE 3.33Å; E183-R405 VanDerWaalsContact OE1-NE 3.12Å; E183-R405 IonicContact OE1-NH1 2.63Å; E183-R405 PolarHBondContact OE1-NH1 3.46Å; E183-R405 IonicContact OE1-NH2 2.86Å; E183-R405 IonicContact OE2-CZ 3.36Å; E183-R405 IonicContact OE2-NH1 3.72Å; E183-R405 PolarHBondContact OE2-NH1 3.34Å
184	L	65.2	Low	59.6	Low	8 Å²	8	43.5 Å²	43.5	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-24.6	168.4	-69.2	-173.7	0	0	0	113.5	V181 Y186 V187 L256 L278 I352	V181-L184 PolarHBondContact O-N 3Å; L184-Y186 PolarHBondContact O-N 2.72Å; L184-Y186 VanDerWaalsContact O-N 3.14Å; L184-V187 HydrophobicContact CD2-CG2 4.17Å; L184-V187 PolarHBondContact O-N 3.26Å; L184-L256 HydrophobicContact CD1-CD2 4.11Å; L184-L278 HydrophobicContact CD2-CB 4.26Å; L184-I352 HydrophobicContact CD1-CD1 3.65Å; L184-I352 HydrophobicContact CD2-CD1 3.9Å; L184-I352 HydrophobicContact CD2-CG1 4.39Å; L184-I352 HydrophobicContact CG-CD1 3.69Å
185	N	63.4	Low	60.7	Low	70 Å²	70	48.2 Å²	48.2	37%	0.374	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13	179.1	-64.9	-29.4	0	0	0	113	E182 E183 R259	E182-N185 WeakPolarHBondContact O-CB 3.42Å; E182-N185 PolarHBondContact O-N 3.03Å; E183-N185 VanDerWaalsContact C-N 3.25Å; E183-N185 PolarHBondContact O-N 3.33Å; N185-R259 VanDerWaalsContact O-CZ 3.31Å; N185-R259 PolarHBondContact O-NH2 3.22Å
186	Y	67.9	Low	62.3	Low	146 Å²	146	50.3 Å²	50.3	57%	0.573	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-2.6	174.8	-52.1	-80.1	0	0	0	113.2	E182 E183 L184	E182-Y186 WeakPolarHBondContact O-CD2 3.32Å; E182-Y186 WeakPolarHBondContact O-CE2 3.14Å; E183-Y186 PolarHBondContact O-N 3.33Å; L184-Y186 PolarHBondContact O-N 2.72Å; L184-Y186 VanDerWaalsContact O-N 3.14Å
187	V	79.6	Confident	63.7	Low	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-84	120.2	-179.2	176.2	0	0	0	0	110.7	C56 M58 L184 R259 H276 L278	C56-V187 HydrophobicContact CB-CG1 4.34Å; C56-V187 WeakPolarHBondContact O-CA 3.44Å; M58-V187 HydrophobicContact CG-CG2 4.45Å; M58-V187 HydrophobicContact SD-CG2 3.65Å; L184-V187 HydrophobicContact CD2-CG2 4.17Å; L184-V187 PolarHBondContact O-N 3.26Å; V187-R259 WeakPolarHBondContact O-CD 3.43Å; V187-H276 HydrophobicContact CG1-CB 3.81Å; V187-L278 HydrophobicContact CG2-CD1 4.12Å
188	G	84.8	Confident	65.6	Low	3 Å²	3	51.6 Å²	51.6	3%	0.031	27%	0.268	C	S	.	.	S	Bend	trans	90.6	151.8	173.3	0	0	0	0	0	114.8	C56 R259 Y260 H276	C56-G188 PolarHBondContact O-N 3.01Å; G188-R259 PolarHBondContact O-NH1 2.85Å; G188-Y260 CarbonylContact C-O 3.56Å; G188-Y260 VanDerWaalsContact CA-O 3.28Å; G188-Y260 WeakPolarHBondContact CA-O 3.47Å; G188-H276 WeakPolarHBondContact CA-NE2 3.46Å
189	W	85.6	Confident	67.3	Low	14 Å²	14	55.4 Å²	55.4	5%	0.053	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-72	139.3	-173.1	-55.9	108.9	0	0	0	112.5	L52 I54 Y85 L198 L203 R259 Y260	L52-W189 HydrophobicContact CB-CH2 4.1Å; L52-W189 HydrophobicContact CD1-CH2 3.92Å; L52-W189 HydrophobicContact CD1-CZ3 4.2Å; I54-W189 PolarHBondContact O-NE1 3.48Å; Y85-W189 HydrophobicContact CE2-CE3 4.05Å; Y85-W189 HydrophobicContact CE2-CZ3 4.03Å; Y85-W189 VanDerWaalsContact OH-CZ3 3.31Å; Y85-W189 WeakPolarHBondContact OH-CZ3 3.2Å; W189-L198 HydrophobicContact CB-CD2 3.99Å; W189-L198 HydrophobicContact CD2-CD2 4.03Å; W189-L198 HydrophobicContact CE3-CD2 4.06Å; W189-L198 HydrophobicContact CG-CD2 4Å; W189-L203 HydrophobicContact CD2-CD1 4.21Å; W189-L203 HydrophobicContact CE3-CD2 4.39Å; W189-L203 HydrophobicContact CH2-CD1 4.33Å; W189-L203 HydrophobicContact CH2-CD2 3.73Å; W189-L203 HydrophobicContact CZ2-CD1 3.73Å; W189-L203 HydrophobicContact CZ2-CD2 4Å; W189-L203 HydrophobicContact CZ2-CG 4.46Å; W189-L203 HydrophobicContact CZ3-CD2 3.94Å; W189-R259 WeakPolarHBondContact O-CB 3.33Å; W189-Y260 PolarHBondContact N-O 3.35Å; W189-Y260 PolarHBondContact O-N 3.5Å
190	P	73.4	Confident	69.3	Low	22 Å²	22	55.4 Å²	55.4	14%	0.143	28%	0.282	C	S	.	.			trans	-68.1	151.2	177.7	30.1	-35.9	0	0	0	111.8	W84 L88 L128	W84-P190 HydrophobicContact CH2-CG 4.14Å; W84-P190 HydrophobicContact CZ3-CB 4.48Å; W84-P190 HydrophobicContact CZ3-CG 3.88Å; L88-P190 HydrophobicContact CD2-CB 4.31Å; L88-P190 HydrophobicContact CD2-CG 3.67Å; L128-P190 HydrophobicContact CD1-CB 4.45Å
191	S	68.6	Low	70.8	Confident	37 Å²	37	56 Å²	56	26%	0.259	29%	0.287	S	S	.	.			trans	-107.8	132.3	173.4	-176.5	0	0	0	0	109.8	L128 Y260	L128-S191 WeakPolarHBondContact CD1-O 3.4Å; S191-Y260 WeakPolarHBondContact OG-CE2 3.4Å
192	K	67.2	Low	72.2	Confident	74 Å²	74	56.5 Å²	56.5	32%	0.322	29%	0.29	S	S	.	.			trans	-101.5	149.1	158.4	-164.5	165.7	177.5	-83.6	0	107.2	W84 D194	W84-K192 HydrophobicContact CB-CD 3.81Å; W84-K192 HydrophobicContact CD2-CB 4.36Å; W84-K192 HydrophobicContact CD2-CD 3.86Å; W84-K192 HydrophobicContact CG-CD 3.51Å; W84-K192 HydrophobicContact CZ2-CB 4.47Å; K192-D194 VanDerWaalsContact C-N 3.31Å; K192-D194 VanDerWaalsContact CE-OD2 3.3Å; K192-D194 WeakPolarHBondContact CE-OD2 3.4Å; K192-D194 WeakPolarHBondContact CG-OD2 3.48Å; K192-D194 IonicContact NZ-OD2 2.63Å; K192-D194 PolarHBondContact NZ-OD2 2.94Å
193	P	61.2	Low	73.6	Confident	118 Å²	118	56.1 Å²	56.1	77%	0.766	29%	0.288	S	S	*	.	S	Bend	trans	-83.7	-4	-179.3	33.2	-36	0	0	0	114.1
194	D	61.2	Low	74.9	Confident	86 Å²	86	55.1 Å²	55.1	46%	0.46	28%	0.284	S	S	.	.	S	Bend	trans	-94.1	163.9	-179	-41.2	-61	0	0	0	111.2	K192 D196	K192-D194 VanDerWaalsContact C-N 3.31Å; K192-D194 VanDerWaalsContact CE-OD2 3.3Å; K192-D194 WeakPolarHBondContact CE-OD2 3.4Å; K192-D194 WeakPolarHBondContact CG-OD2 3.48Å; K192-D194 IonicContact NZ-OD2 2.63Å; K192-D194 PolarHBondContact NZ-OD2 2.94Å; D194-D196 PolarHBondContact O-N 2.58Å
195	E	58.9	Low	75.7	Confident	191 Å²	191	57.2 Å²	57.2	89%	0.893	30%	0.297	S	S	*	.	S	Bend	trans	-59.4	-19.1	-163.8	-58.8	-171.4	133.6	0	0	116.8	T197	E195-T197 PolarHBondContact O-N 3.43Å
196	D	68.1	Low	76.3	Confident	85 Å²	85	60 Å²	60	46%	0.455	31%	0.306	S	S	.	.			trans	-69.6	59.7	178.6	-68.4	-36.7	0	0	0	113.6	P82 W84 D194 L198	P82-D196 HydrophobicContact CB-CB 4.02Å; P82-D196 HydrophobicContact CG-CB 4.29Å; W84-D196 PolarHBondContact NE1-O 3.35Å; D194-D196 PolarHBondContact O-N 2.58Å; D196-L198 PolarHBondContact O-N 2.93Å
197	T	74.6	Confident	76.4	Confident	84 Å²	84	54.2 Å²	54.2	52%	0.515	29%	0.287	S	S	.	.			trans	-61	131.3	172.2	53.8	0	0	0	0	111.5	E195	E195-T197 PolarHBondContact O-N 3.43Å
198	L	81.8	Confident	75.9	Confident	18 Å²	18	57.9 Å²	57.9	9%	0.094	31%	0.309	C	S	.	.			trans	-66.2	131.6	173.5	-173.9	69.7	0	0	0	109.6	W84 Y85 W189 D196 N202 L203 V250	W84-L198 HydrophobicContact CZ2-CB 4.37Å; Y85-L198 HydrophobicContact CD1-CD1 4.4Å; Y85-L198 HydrophobicContact CD2-CD1 4.04Å; Y85-L198 HydrophobicContact CD2-CD2 4.19Å; Y85-L198 HydrophobicContact CE2-CD1 4.36Å; Y85-L198 HydrophobicContact CE2-CD2 4.11Å; Y85-L198 HydrophobicContact CG-CD1 4.06Å; W189-L198 HydrophobicContact CB-CD2 3.99Å; W189-L198 HydrophobicContact CD2-CD2 4.03Å; W189-L198 HydrophobicContact CE3-CD2 4.06Å; W189-L198 HydrophobicContact CG-CD2 4Å; D196-L198 PolarHBondContact O-N 2.93Å; L198-N202 HydrophobicContact CD1-CB 3.75Å; L198-L203 HydrophobicContact CD1-CD2 4.37Å; L198-L203 HydrophobicContact CD2-CD1 4.16Å; L198-L203 HydrophobicContact CD2-CD2 4.24Å; L198-L203 HydrophobicContact CD2-CG 4.46Å; L198-L203 HydrophobicContact CG-CD1 4.42Å; L198-L203 HydrophobicContact CG-CG 4.47Å; L198-V250 WeakPolarHBondContact O-CG1 3.49Å
199	K	85.7	Confident	74.7	Confident	123 Å²	123	64.5 Å²	64.5	54%	0.535	35%	0.351	S	S	.	.			trans	-115.1	161.5	-179.8	-63.6	171.8	-174.9	172.7	0	111	S201 N202	K199-S201 PolarHBondContact O-N 2.85Å; K199-N202 PolarHBondContact N-OD1 2.86Å; K199-N202 WeakPolarHBondContact O-CB 3.04Å; K199-N202 PolarHBondContact O-N 2.64Å
200	V	86.7	Confident	73.5	Confident	8 Å²	8	75.2 Å²	75.2	5%	0.048	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-53.3	-42.8	173.4	164.4	0	0	0	0	111.6	I54 I76 N202 L203 I204 I218 A246 V247 V250	I54-V200 HydrophobicContact CD1-CB 4.36Å; I54-V200 HydrophobicContact CD1-CG1 3.92Å; I54-V200 HydrophobicContact CD1-CG2 4.06Å; I76-V200 HydrophobicContact CD1-CG1 3.8Å; V200-N202 PolarHBondContact O-N 3.48Å; V200-L203 WeakPolarHBondContact O-CA 3.46Å; V200-L203 PolarHBondContact O-N 2.7Å; V200-I204 HydrophobicContact CG1-CD1 4.41Å; V200-I204 HydrophobicContact CG1-CG1 4.46Å; V200-I204 WeakPolarHBondContact O-CG1 3.39Å; V200-I204 PolarHBondContact O-N 2.97Å; V200-I218 HydrophobicContact CG1-CD1 3.89Å; V200-A246 HydrophobicContact CG2-CB 4.17Å; V200-A246 WeakPolarHBondContact CG2-O 3.19Å; V200-V247 HydrophobicContact CB-CG2 4.23Å; V200-V247 HydrophobicContact CG1-CG2 4.47Å; V200-V247 HydrophobicContact CG2-CB 4.36Å; V200-V247 HydrophobicContact CG2-CG2 3.91Å; V200-V250 HydrophobicContact CG2-CB 4.32Å; V200-V250 HydrophobicContact CG2-CG2 3.85Å
201	S	85.1	Confident	73	Confident	19 Å²	19	78 Å²	78	13%	0.133	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-57.4	-20.3	177.3	54.4	0	0	0	0	114.5	E77 Y78 S79 K199	E77-S201 VanDerWaalsContact O-CB 3.26Å; E77-S201 WeakPolarHBondContact O-CB 3.45Å; Y78-S201 WeakPolarHBondContact CA-O 3.43Å; S79-S201 PolarHBondContact N-O 3.19Å; S79-S201 WeakPolarHBondContact OG-CB 3.31Å; S79-S201 PolarHBondContact OG-OG 2.94Å; K199-S201 PolarHBondContact O-N 2.85Å
202	N	84.6	Confident	72.1	Confident	15 Å²	15	79.3 Å²	79.3	8%	0.08	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-85.4	-9.4	174.3	-54.8	133.1	0	0	0	114.1	S79 E80 P81 L198 K199 V200	S79-N202 WeakPolarHBondContact O-CA 3.49Å; S79-N202 PolarHBondContact O-ND2 2.88Å; S79-N202 PolarHBondContact OG-ND2 2.98Å; E80-N202 PolarHBondContact O-ND2 2.91Å; P81-N202 HydrophobicContact CB-CB 4.14Å; L198-N202 HydrophobicContact CD1-CB 3.75Å; K199-N202 PolarHBondContact N-OD1 2.86Å; K199-N202 WeakPolarHBondContact O-CB 3.04Å; K199-N202 PolarHBondContact O-N 2.64Å; V200-N202 PolarHBondContact O-N 3.48Å
203	L	84.3	Confident	71.6	Confident	28 Å²	28	83 Å²	83	15%	0.147	44%	0.441	C	S	.	.	S	Bend	trans	-114	0.3	-173.4	-63.1	175.8	0	0	0	113.1	I54 W189 L198 V200 V250	I54-L203 HydrophobicContact CD1-CB 4.16Å; I54-L203 HydrophobicContact CG1-CB 4.43Å; I54-L203 HydrophobicContact CG1-CD1 4.07Å; W189-L203 HydrophobicContact CD2-CD1 4.21Å; W189-L203 HydrophobicContact CE3-CD2 4.39Å; W189-L203 HydrophobicContact CH2-CD1 4.33Å; W189-L203 HydrophobicContact CH2-CD2 3.73Å; W189-L203 HydrophobicContact CZ2-CD1 3.73Å; W189-L203 HydrophobicContact CZ2-CD2 4Å; W189-L203 HydrophobicContact CZ2-CG 4.46Å; W189-L203 HydrophobicContact CZ3-CD2 3.94Å; L198-L203 HydrophobicContact CD1-CD2 4.37Å; L198-L203 HydrophobicContact CD2-CD1 4.16Å; L198-L203 HydrophobicContact CD2-CD2 4.24Å; L198-L203 HydrophobicContact CD2-CG 4.46Å; L198-L203 HydrophobicContact CG-CD1 4.42Å; L198-L203 HydrophobicContact CG-CG 4.47Å; V200-L203 WeakPolarHBondContact O-CA 3.46Å; V200-L203 PolarHBondContact O-N 2.7Å; L203-V250 HydrophobicContact CD1-CG2 4.25Å
204	I	85.1	Confident	71.8	Confident	8 Å²	8	86.2 Å²	86.2	4%	0.041	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-76.3	138.6	177.7	-64.3	173	0	0	0	110.3	T74 I76 Y78 V200 I218	T74-I204 HydrophobicContact CG2-CD1 3.92Å; T74-I204 HydrophobicContact CG2-CG1 4.09Å; T74-I204 HydrophobicContact CG2-CG2 3.93Å; I76-I204 HydrophobicContact CB-CD1 3.65Å; I76-I204 HydrophobicContact CG2-CD1 3.6Å; I76-I204 WeakPolarHBondContact O-CD1 3.33Å; Y78-I204 WeakPolarHBondContact CD2-O 3.22Å; V200-I204 HydrophobicContact CG1-CD1 4.41Å; V200-I204 HydrophobicContact CG1-CG1 4.46Å; V200-I204 WeakPolarHBondContact O-CG1 3.39Å; V200-I204 PolarHBondContact O-N 2.97Å; I204-I218 HydrophobicContact CG1-CG1 4.13Å
205	V	82.1	Confident	72.4	Confident	52 Å²	52	83.8 Å²	83.8	32%	0.315	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.6	166.8	-178.5	0	0	0	0	108	G216 W217 Y219	V205-G216 WeakPolarHBondContact O-CA 3.47Å; V205-W217 PolarHBondContact N-O 3Å; V205-W217 PolarHBondContact O-N 2.85Å; V205-Y219 HydrophobicContact CB-CE2 3.97Å; V205-Y219 HydrophobicContact CG2-CD2 4.01Å; V205-Y219 HydrophobicContact CG2-CE2 3.7Å
206	K	75.7	Confident	73.6	Confident	128 Å²	128	74.8 Å²	74.8	56%	0.557	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	139.5	176.8	-64.2	-174.7	-179.7	-177.8	0	110.5	Y78	Y78-K206 HydrophobicContact CD1-CD 4.39Å; Y78-K206 HydrophobicContact CD2-CG 4.26Å; Y78-K206 HydrophobicContact CG-CD 4.34Å; Y78-K206 HydrophobicContact CG-CG 4.03Å
207	C	70.7	Confident	74.5	Confident	26 Å²	26	72.6 Å²	72.6	18%	0.176	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-55.9	142.9	170.9	-69.4	0	0	0	0	110.6
208	T	68.1	Low	75.3	Confident	77 Å²	77	68.7 Å²	68.7	47%	0.472	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-74.1	151.4	172	68.3	0	0	0	0	110	R210 E211	T208-R210 PolarHBondContact O-N 2.85Å; T208-E211 PolarHBondContact N-OE2 3.12Å; T208-E211 PolarHBondContact O-N 3.01Å
209	P	60.3	Low	75.8	Confident	141 Å²	141	70.2 Å²	70.2	92%	0.916	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-10.2	178.2	-26.6	35.5	0	0	0	115.3
210	R	60.3	Low	76.1	Confident	240 Å²	240	64.3 Å²	64.3	91%	0.906	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-14.7	176.8	-167.8	175.2	-179.8	-175.5	0.3	113.5	T208	T208-R210 PolarHBondContact O-N 2.85Å
211	E	62.7	Low	76.4	Confident	80 Å²	80	64 Å²	64	37%	0.374	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-14.2	-179.3	-72.4	-179	125.2	0	0	113.9	R71 T208 W217	R71-E211 IonicContact CZ-OE1 2.69Å; R71-E211 IonicContact NH1-OE1 3.72Å; R71-E211 PolarHBondContact NH1-OE1 2.97Å; R71-E211 IonicContact NH2-OE1 3.3Å; T208-E211 PolarHBondContact N-OE2 3.12Å; T208-E211 PolarHBondContact O-N 3.01Å; E211-W217 PolarHBondContact OE2-NE1 3.39Å
212	G	49.4	Very low	76.7	Confident	65 Å²	65	66.2 Å²	66.2	67%	0.67	35%	0.346	S	S	*	.			trans	82.7	18.3	150	0	0	0	0	0	118.8
213	E	58.2	Low	77.1	Confident	152 Å²	152	66.6 Å²	66.6	71%	0.71	35%	0.35	S	S	*	.	S	Bend	trans	-145.9	157.1	171.6	-109.8	165.7	-143.1	0	0	111.4
214	E	63.7	Low	77.5	Confident	184 Å²	184	65.4 Å²	65.4	86%	0.86	34%	0.343	S	S	*	.	S	Bend	trans	-69.6	135.7	172.6	-65.8	178.5	158.2	0	0	109.9	Y73	Y73-E214 PolarHBondContact OH-O 3.13Å
215	G	73.6	Confident	78	Confident	36 Å²	36	65 Å²	65	37%	0.371	34%	0.341	S	S	.	.	S	Bend	trans	136.9	-156.2	178.9	0	0	0	0	0	114
216	G	84.2	Confident	78.5	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	-174.1	179.5	0	0	0	0	0	114.2	T74 V205	T74-G216 WeakPolarHBondContact CG2-O 3.34Å; T74-G216 PolarHBondContact N-O 2.92Å; T74-G216 PolarHBondContact O-N 3.29Å; T74-G216 VanDerWaalsContact O-N 3.11Å; V205-G216 WeakPolarHBondContact O-CA 3.47Å
217	W	87.9	Confident	79.4	Confident	40 Å²	40	57.4 Å²	57.4	15%	0.152	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.9	179.3	-61.8	107.3	0	0	0	111.8	R71 F72 V205 E211 Y219	R71-W217 HydrophobicContact CB-CE3 4.04Å; R71-W217 HydrophobicContact CG-CE3 3.91Å; R71-W217 HydrophobicContact CG-CZ3 4Å; F72-W217 WeakPolarHBondContact O-CA 3.03Å; V205-W217 PolarHBondContact N-O 3Å; V205-W217 PolarHBondContact O-N 2.85Å; E211-W217 PolarHBondContact OE2-NE1 3.39Å; W217-Y219 HydrophobicContact CB-CE2 3.92Å
218	I	91.4	Very high	80.6	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	141.8	162.3	-72.2	169.3	0	0	0	108.2	I54 R71 F72 T74 V200 I204 E243	I54-I218 HydrophobicContact CB-CG2 4.06Å; I54-I218 HydrophobicContact CD1-CD1 4.26Å; I54-I218 HydrophobicContact CD1-CG1 4.08Å; I54-I218 HydrophobicContact CD1-CG2 3.87Å; I54-I218 HydrophobicContact CG2-CG2 3.68Å; R71-I218 CarbonylContact C-O 3.59Å; R71-I218 WeakPolarHBondContact CA-O 3.32Å; F72-I218 PolarHBondContact N-O 3.45Å; F72-I218 PolarHBondContact O-N 2.95Å; T74-I218 HydrophobicContact CG2-CD1 4.08Å; T74-I218 HydrophobicContact CG2-CG1 3.79Å; V200-I218 HydrophobicContact CG1-CD1 3.89Å; I204-I218 HydrophobicContact CG1-CG1 4.13Å; I218-E243 HydrophobicContact CD1-CG 4.31Å
219	Y	91.7	Very high	81.7	Confident	49 Å²	49	55.9 Å²	55.9	19%	0.192	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.9	173.6	-71	-95.7	0	0	0	110.7	P51 C53 I54 L69 L70 R71 V205 W217	P51-Y219 HydrophobicContact CB-CD1 3.63Å; P51-Y219 HydrophobicContact CB-CD2 3.69Å; P51-Y219 HydrophobicContact CB-CE1 3.84Å; P51-Y219 HydrophobicContact CB-CE2 3.92Å; P51-Y219 HydrophobicContact CB-CG 3.54Å; P51-Y219 HydrophobicContact CG-CD1 4.17Å; P51-Y219 HydrophobicContact CG-CE1 4.08Å; C53-Y219 CarbonylContact C-O 3.41Å; C53-Y219 WeakPolarHBondContact CA-O 3.18Å; I54-Y219 PolarHBondContact N-O 3.04Å; L69-Y219 HydrophobicContact CD2-CD1 4.2Å; L69-Y219 HydrophobicContact CG-CD1 4.28Å; L70-Y219 WeakPolarHBondContact O-CA 3.36Å; R71-Y219 HydrophobicContact CB-CD1 4.02Å; R71-Y219 HydrophobicContact CB-CE1 3.73Å; V205-Y219 HydrophobicContact CB-CE2 3.97Å; V205-Y219 HydrophobicContact CG2-CD2 4.01Å; V205-Y219 HydrophobicContact CG2-CE2 3.7Å; W217-Y219 HydrophobicContact CB-CE2 3.92Å
220	A	93.1	Very high	83.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	143.9	174.2	0	0	0	0	0	111.8	I54 F55 L70 F72 A225	I54-A220 HydrophobicContact CG2-CB 4.39Å; F55-A220 HydrophobicContact CD2-CB 3.78Å; F55-A220 HydrophobicContact CE2-CB 3.65Å; L70-A220 PolarHBondContact N-O 3.43Å; L70-A220 PolarHBondContact O-N 3.11Å; F72-A220 HydrophobicContact CD2-CB 4.36Å; F72-A220 HydrophobicContact CE2-CB 3.95Å; A220-A225 HydrophobicContact CB-CB 4.11Å
221	H	92.3	Very high	84.7	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	140.6	170.5	-59.7	109.9	0	0	0	109.7	C53 C56 M58 N59 Q66 G67 E68 C223 C224 A225	C53-H221 WeakPolarHBondContact CB-ND1 3.25Å; C53-H221 PolarHBondContact SG-N 2.81Å; C56-H221 PolarHBondContact SG-ND1 3.06Å; M58-H221 PolarHBondContact O-CE1 2.87Å; N59-H221 PolarHBondContact O-CE1 3.35Å; N59-H221 PolarHBondContact O-NE2 3.18Å; Q66-H221 HydrophobicContact CB-CB 3.68Å; Q66-H221 WeakPolarHBondContact O-CB 3.39Å; G67-H221 PolarHBondContact O-CD2 3.16Å; E68-H221 CarbonylContact O-C 3.32Å; E68-H221 VanDerWaalsContact O-CA 3.24Å; E68-H221 WeakPolarHBondContact O-CA 3.24Å; H221-C223 PolarHBondContact O-N 3.05Å; H221-C224 HydrophobicContact CB-CB 4.13Å; H221-C224 CarbonylContact O-C 2.86Å; H221-C224 WeakPolarHBondContact O-CA 3.18Å; H221-C224 WeakPolarHBondContact O-CB 3.44Å; H221-C224 PolarHBondContact O-N 3.14Å; H221-A225 PolarHBondContact O-N 3.36Å
222	H	91.6	Very high	86.1	Confident	66 Å²	66	42.4 Å²	42.4	31%	0.306	24%	0.243	S	C	.	.	H	α-helix	trans	-43.9	-57.2	-177.6	176.4	-85.9	0	0	0	113.2	Q66 E68 L70 C224 A225 S226 F233	Q66-H222 PolarHBondContact O-N 3.47Å; E68-H222 PolarHBondContact O-N 3.16Å; L70-H222 HydrophobicContact CD1-CB 4.15Å; H222-C224 VanDerWaalsContact C-N 3.29Å; H222-C224 PolarHBondContact O-N 3.06Å; H222-A225 PolarHBondContact O-N 3.12Å; H222-A225 VanDerWaalsContact O-N 3.15Å; H222-S226 PolarHBondContact O-N 2.82Å; H222-S226 PolarHBondContact O-OG 3.21Å; H222-F233 AromaticContact NE2-CZ 3.98Å
223	C	92.8	Very high	88	Confident	23 Å²	23	42.8 Å²	42.8	16%	0.155	23%	0.227	C	C	.	.	H	α-helix	trans	-75.5	-14.7	-178.3	-50	0	0	0	0	113.4	Q66 H221 W227 F277	Q66-C223 VanDerWaalsContact O-CB 3.3Å; Q66-C223 WeakPolarHBondContact O-CB 3.47Å; Q66-C223 PolarHBondContact O-N 2.89Å; Q66-C223 PolarHBondContact O-SG 2.96Å; H221-C223 PolarHBondContact O-N 3.05Å; C223-W227 WeakPolarHBondContact O-CB 3.34Å; C223-F277 HydrophobicContact CB-CD1 4.39Å; C223-F277 HydrophobicContact CB-CD2 4.16Å; C223-F277 HydrophobicContact CB-CE1 4.06Å; C223-F277 HydrophobicContact CB-CE2 3.81Å; C223-F277 HydrophobicContact CB-CG 4.45Å; C223-F277 HydrophobicContact CB-CZ 3.75Å; C223-F277 WeakPolarHBondContact O-CD2 3.32Å
224	C	93.7	Very high	89.5	Confident	2 Å²	2	37 Å²	37	1%	0.014	20%	0.201	C	C	.	.	H	α-helix	trans	-77.5	-35.7	167.8	-67.9	0	0	0	0	111	F55 H221 H222 S228	F55-C224 HydrophobicContact CB-CB 4.13Å; F55-C224 HydrophobicContact CD2-CB 3.96Å; F55-C224 HydrophobicContact CG-CB 4.41Å; H221-C224 HydrophobicContact CB-CB 4.13Å; H221-C224 CarbonylContact O-C 2.86Å; H221-C224 WeakPolarHBondContact O-CA 3.18Å; H221-C224 WeakPolarHBondContact O-CB 3.44Å; H221-C224 PolarHBondContact O-N 3.14Å; H222-C224 VanDerWaalsContact C-N 3.29Å; H222-C224 PolarHBondContact O-N 3.06Å; C224-S228 PolarHBondContact O-OG 2.93Å
225	A	94.1	Very high	90.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-74.1	-54.4	174.9	0	0	0	0	0	111.7	F55 F72 A220 H221 H222 W227 S228 V231 L239 V242	F55-A225 HydrophobicContact CE2-CB 4.09Å; F72-A225 HydrophobicContact CZ-CB 4.38Å; A220-A225 HydrophobicContact CB-CB 4.11Å; H221-A225 PolarHBondContact O-N 3.36Å; H222-A225 PolarHBondContact O-N 3.12Å; H222-A225 VanDerWaalsContact O-N 3.15Å; A225-W227 VanDerWaalsContact C-N 3.26Å; A225-W227 PolarHBondContact O-N 3.07Å; A225-S228 WeakPolarHBondContact O-CB 3.36Å; A225-S228 PolarHBondContact O-N 3.38Å; A225-S228 PolarHBondContact O-OG 3.08Å; A225-V231 WeakPolarHBondContact O-CB 3.34Å; A225-V231 WeakPolarHBondContact O-CG1 3.32Å; A225-V231 WeakPolarHBondContact O-CG2 3.47Å; A225-L239 HydrophobicContact CB-CD1 3.86Å; A225-V242 HydrophobicContact CB-CG1 4.18Å; A225-V242 HydrophobicContact CB-CG2 4.31Å
226	S	93.5	Very high	91.2	Very high	7 Å²	7	40.5 Å²	40.5	5%	0.049	21%	0.213	C	C	.	.	H	α-helix	trans	-64.7	-24.5	-171.5	75.3	0	0	0	0	114.8	H222	H222-S226 PolarHBondContact O-N 2.82Å; H222-S226 PolarHBondContact O-OG 3.21Å
227	W	94.3	Very high	91.2	Very high	14 Å²	14	45.3 Å²	45.3	5%	0.053	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	3.8	175.3	-69	73.5	0	0	0	113.1	C223 A225 I264 F277 Q287 D288 L292 F327	C223-W227 WeakPolarHBondContact O-CB 3.34Å; A225-W227 VanDerWaalsContact C-N 3.26Å; A225-W227 PolarHBondContact O-N 3.07Å; W227-I264 HydrophobicContact CB-CD1 3.7Å; W227-I264 HydrophobicContact CB-CG1 4.1Å; W227-I264 WeakPolarHBondContact O-CG1 3.48Å; W227-F277 AromaticContact CD1-CE2 3.85Å; W227-F277 HydrophobicContact CD2-CD2 4.46Å; W227-F277 HydrophobicContact CD2-CE2 4.24Å; W227-F277 AromaticContact CE2-CE2 4Å; W227-F277 HydrophobicContact CG-CD2 4.1Å; W227-F277 HydrophobicContact CG-CE2 4.16Å; W227-F277 AromaticContact NE1-CE2 3.73Å; W227-Q287 HydrophobicContact CH2-CB 3.65Å; W227-Q287 HydrophobicContact CH2-CG 4.32Å; W227-Q287 HydrophobicContact CZ3-CB 3.65Å; W227-Q287 HydrophobicContact CZ3-CG 3.93Å; W227-D288 WeakPolarHBondContact CH2-O 3.42Å; W227-L292 HydrophobicContact CD2-CB 4.48Å; W227-L292 HydrophobicContact CD2-CD2 4.14Å; W227-L292 VanDerWaalsContact CE3-O 3.24Å; W227-L292 HydrophobicContact CG-CD2 4.5Å; W227-L292 HydrophobicContact CH2-CD2 4.47Å; W227-L292 HydrophobicContact CZ2-CD2 3.83Å; W227-F327 HydrophobicContact CH2-CE2 4.25Å; W227-F327 HydrophobicContact CH2-CZ 4Å; W227-F327 HydrophobicContact CZ2-CE1 4.46Å; W227-F327 HydrophobicContact CZ2-CE2 4.32Å; W227-F327 AromaticContact CZ2-CZ 3.69Å; W227-F327 HydrophobicContact CZ2-CZ 3.69Å
228	S	94.8	Very high	91.1	Very high	5 Å²	5	47.2 Å²	47.2	4%	0.035	25%	0.252	C	S	.	.	S	Bend	trans	-79.1	136.9	-179.6	-67.9	0	0	0	0	111.7	F55 C224 A225 G230 V231 S263	F55-S228 WeakPolarHBondContact CE1-OG 3.44Å; C224-S228 PolarHBondContact O-OG 2.93Å; A225-S228 WeakPolarHBondContact O-CB 3.36Å; A225-S228 PolarHBondContact O-N 3.38Å; A225-S228 PolarHBondContact O-OG 3.08Å; S228-G230 PolarHBondContact O-N 3.47Å; S228-V231 WeakPolarHBondContact O-CB 3.49Å; S228-V231 PolarHBondContact O-N 2.76Å; S228-S263 WeakPolarHBondContact OG-CB 3.36Å; S228-S263 PolarHBondContact OG-OG 3.4Å
229	D	91.8	Very high	91.1	Very high	65 Å²	65	47.7 Å²	47.7	35%	0.348	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	118.2	172.8	-170.4	12.2	0	0	0	111.4	R252 S263	D229-R252 IonicContact OD2-CZ 3.31Å; D229-R252 VanDerWaalsContact OD2-CZ 3.24Å; D229-R252 IonicContact OD2-NH1 2.8Å; D229-R252 PolarHBondContact OD2-NH1 2.92Å; D229-R252 IonicContact OD2-NH2 3.88Å; D229-R252 PolarHBondContact OD2-NH2 2.81Å; D229-S263 WeakPolarHBondContact CB-O 3.45Å; D229-S263 PolarHBondContact N-O 3.44Å; D229-S263 VanDerWaalsContact N-O 3.15Å
230	G	90.8	Very high	91	Very high	56 Å²	56	49.8 Å²	49.8	58%	0.577	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-11.6	-177.2	0	0	0	0	0	116.9	S228 H232	S228-G230 PolarHBondContact O-N 3.47Å; G230-H232 PolarHBondContact O-ND1 2.81Å
231	V	93.8	Very high	91	Very high	18 Å²	18	50.9 Å²	50.9	11%	0.109	28%	0.277	C	S	.	.			trans	-83.2	138	179.2	179.6	0	0	0	0	111.2	A225 S228 L239 E240 V242 A245	A225-V231 WeakPolarHBondContact O-CB 3.34Å; A225-V231 WeakPolarHBondContact O-CG1 3.32Å; A225-V231 WeakPolarHBondContact O-CG2 3.47Å; S228-V231 WeakPolarHBondContact O-CB 3.49Å; S228-V231 PolarHBondContact O-N 2.76Å; V231-L239 HydrophobicContact CG1-CB 4.11Å; V231-L239 HydrophobicContact CG1-CD2 3.86Å; V231-L239 HydrophobicContact CG1-CG 4.46Å; V231-E240 WeakPolarHBondContact CA-O 3.2Å; V231-E240 WeakPolarHBondContact CG1-O 3.47Å; V231-V242 HydrophobicContact CG1-CG2 3.85Å; V231-V242 HydrophobicContact CG2-CG2 4.16Å; V231-A245 HydrophobicContact CG2-CB 3.5Å; V231-A245 VanDerWaalsContact CG2-CB 3.5Å
232	H	91.4	Very high	91.1	Very high	105 Å²	105	51.1 Å²	51.1	49%	0.486	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	162.8	178	59.7	-74.9	0	0	0	111.7	G230 L239 E240	G230-H232 PolarHBondContact O-ND1 2.81Å; H232-L239 CarbonylContact O-C 3.47Å; H232-L239 WeakPolarHBondContact O-CA 3.4Å; H232-E240 PolarHBondContact N-O 2.68Å; H232-E240 PolarHBondContact O-N 3.37Å
233	F	90.2	Very high	91.1	Very high	73 Å²	73	50.9 Å²	50.9	32%	0.32	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	138.5	173	-66	-89.9	0	0	0	110.5	H222 V238 L239 L292	H222-F233 AromaticContact NE2-CZ 3.98Å; F233-V238 WeakPolarHBondContact CA-O 3.46Å; F233-L239 HydrophobicContact CD1-CD2 3.69Å; F233-L239 HydrophobicContact CD1-CG 4.23Å; F233-L239 HydrophobicContact CD2-CD2 4.02Å; F233-L239 HydrophobicContact CE1-CD2 3.46Å; F233-L239 VanDerWaalsContact CE1-CD2 3.46Å; F233-L239 HydrophobicContact CE1-CG 3.95Å; F233-L239 HydrophobicContact CE2-CD2 3.8Å; F233-L239 HydrophobicContact CG-CD2 3.98Å; F233-L239 HydrophobicContact CZ-CD2 3.52Å; F233-L239 HydrophobicContact CZ-CG 4.37Å; F233-L292 HydrophobicContact CE2-CD1 4.26Å
234	N	88.4	Confident	91.1	Very high	30 Å²	30	55.1 Å²	55.1	16%	0.16	30%	0.299	C	S	.	.			trans	-88.3	178.5	170.5	71.5	10.1	0	0	0	112.4	Q236 M237 V238 E240	N234-Q236 VanDerWaalsContact CG-OE1 3.3Å; N234-Q236 PolarHBondContact ND2-OE1 2.86Å; N234-Q236 PolarHBondContact O-N 3.21Å; N234-Q236 WeakPolarHBondContact OD1-CA 3.38Å; N234-Q236 PolarHBondContact OD1-N 3.26Å; N234-Q236 PolarHBondContact OD1-OE1 2.51Å; N234-M237 PolarHBondContact O-N 3.04Å; N234-M237 PolarHBondContact OD1-N 3.11Å; N234-V238 PolarHBondContact N-O 3.46Å; N234-V238 PolarHBondContact OD1-N 2.68Å; N234-V238 PolarHBondContact OD1-O 2.9Å; N234-E240 HydrophobicContact CB-CG 4.17Å; N234-E240 WeakPolarHBondContact CB-OE1 3.39Å; N234-E240 PolarHBondContact ND2-OE1 2.7Å
235	D	86.8	Confident	91.2	Very high	160 Å²	160	55.2 Å²	55.2	86%	0.856	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-20.6	178.7	-70.4	-26.1	0	0	0	113.9
236	Q	87.6	Confident	91.1	Very high	134 Å²	134	55.2 Å²	55.2	63%	0.626	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	11.6	178.4	-58.5	79.8	23.5	0	0	113.1	N234 V238	N234-Q236 VanDerWaalsContact CG-OE1 3.3Å; N234-Q236 PolarHBondContact ND2-OE1 2.86Å; N234-Q236 PolarHBondContact O-N 3.21Å; N234-Q236 WeakPolarHBondContact OD1-CA 3.38Å; N234-Q236 PolarHBondContact OD1-N 3.26Å; N234-Q236 PolarHBondContact OD1-OE1 2.51Å; Q236-V238 HydrophobicContact CB-CG2 4.34Å; Q236-V238 PolarHBondContact O-N 3.03Å
237	M	82.7	Confident	91.1	Very high	101 Å²	101	58.2 Å²	58.2	50%	0.498	32%	0.318	S	S	.	.	S	Bend	trans	59.2	27.9	-176.4	-61.8	-71.8	177.9	0	0	114	N234	N234-M237 PolarHBondContact O-N 3.04Å; N234-M237 PolarHBondContact OD1-N 3.11Å
238	V	86.4	Confident	91	Very high	80 Å²	80	60.7 Å²	60.7	49%	0.485	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-97.8	142.3	172.8	-175.5	0	0	0	0	109.6	F233 N234 Q236 E240	F233-V238 WeakPolarHBondContact CA-O 3.46Å; N234-V238 PolarHBondContact N-O 3.46Å; N234-V238 PolarHBondContact OD1-N 2.68Å; N234-V238 PolarHBondContact OD1-O 2.9Å; Q236-V238 HydrophobicContact CB-CG2 4.34Å; Q236-V238 PolarHBondContact O-N 3.03Å; V238-E240 PolarHBondContact O-N 3.33Å
239	L	91.3	Very high	90.9	Very high	12 Å²	12	60.4 Å²	60.4	6%	0.063	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	117.9	177.8	-65.5	170.3	0	0	0	111.2	F72 A225 V231 H232 F233 V242	F72-L239 HydrophobicContact CE1-CB 4.11Å; F72-L239 HydrophobicContact CZ-CD1 4.28Å; A225-L239 HydrophobicContact CB-CD1 3.86Å; V231-L239 HydrophobicContact CG1-CB 4.11Å; V231-L239 HydrophobicContact CG1-CD2 3.86Å; V231-L239 HydrophobicContact CG1-CG 4.46Å; H232-L239 CarbonylContact O-C 3.47Å; H232-L239 WeakPolarHBondContact O-CA 3.4Å; F233-L239 HydrophobicContact CD1-CD2 3.69Å; F233-L239 HydrophobicContact CD1-CG 4.23Å; F233-L239 HydrophobicContact CD2-CD2 4.02Å; F233-L239 HydrophobicContact CE1-CD2 3.46Å; F233-L239 VanDerWaalsContact CE1-CD2 3.46Å; F233-L239 HydrophobicContact CE1-CG 3.95Å; F233-L239 HydrophobicContact CE2-CD2 3.8Å; F233-L239 HydrophobicContact CG-CD2 3.98Å; F233-L239 HydrophobicContact CZ-CD2 3.52Å; F233-L239 HydrophobicContact CZ-CG 4.37Å; L239-V242 HydrophobicContact CB-CG2 3.77Å
240	E	90.8	Very high	90.8	Very high	93 Å²	93	57.7 Å²	57.7	44%	0.435	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	160.7	172.5	-65.7	-168.4	-171.3	0	0	111.4	V231 H232 N234 V238 V242	V231-E240 WeakPolarHBondContact CA-O 3.2Å; V231-E240 WeakPolarHBondContact CG1-O 3.47Å; H232-E240 PolarHBondContact N-O 2.68Å; H232-E240 PolarHBondContact O-N 3.37Å; N234-E240 HydrophobicContact CB-CG 4.17Å; N234-E240 WeakPolarHBondContact CB-OE1 3.39Å; N234-E240 PolarHBondContact ND2-OE1 2.7Å; V238-E240 PolarHBondContact O-N 3.33Å; E240-V242 VanDerWaalsContact C-N 3.29Å; E240-V242 PolarHBondContact O-N 3.08Å
241	G	92.3	Very high	90.8	Very high	24 Å²	24	60 Å²	60	25%	0.247	32%	0.318	C	S	.	.	S	Bend	trans	78.3	0.3	-176.6	0	0	0	0	0	115.8	E243 D244 A245	G241-E243 VanDerWaalsContact C-N 3.26Å; G241-E243 PolarHBondContact O-N 2.94Å; G241-D244 PolarHBondContact O-N 3.43Å; G241-A245 WeakPolarHBondContact O-CB 3.49Å; G241-A245 PolarHBondContact O-N 2.82Å
242	V	93.1	Very high	90.7	Very high	6 Å²	6	62.3 Å²	62.3	4%	0.036	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-31.5	-176.5	-175.6	0	0	0	0	112.9	F55 F72 A225 V231 L239 E240 A246	F55-V242 HydrophobicContact CE2-CG1 4.24Å; F55-V242 HydrophobicContact CZ-CG1 4.26Å; F72-V242 HydrophobicContact CD1-CB 4.21Å; F72-V242 HydrophobicContact CD1-CG1 4.28Å; F72-V242 HydrophobicContact CD1-CG2 4.09Å; F72-V242 HydrophobicContact CD2-CG1 3.98Å; F72-V242 HydrophobicContact CE1-CB 4.45Å; F72-V242 HydrophobicContact CE1-CG1 4.44Å; F72-V242 HydrophobicContact CE1-CG2 3.89Å; F72-V242 HydrophobicContact CE2-CG1 4.15Å; F72-V242 HydrophobicContact CG-CB 4.37Å; F72-V242 HydrophobicContact CG-CG1 4.05Å; F72-V242 HydrophobicContact CZ-CG1 4.38Å; F72-V242 HydrophobicContact CZ-CG2 4.29Å; A225-V242 HydrophobicContact CB-CG1 4.18Å; A225-V242 HydrophobicContact CB-CG2 4.31Å; V231-V242 HydrophobicContact CG1-CG2 3.85Å; V231-V242 HydrophobicContact CG2-CG2 4.16Å; L239-V242 HydrophobicContact CB-CG2 3.77Å; E240-V242 VanDerWaalsContact C-N 3.29Å; E240-V242 PolarHBondContact O-N 3.08Å; V242-A246 WeakPolarHBondContact O-CB 3.5Å; V242-A246 PolarHBondContact O-N 3.19Å
243	E	92.8	Very high	90.6	Very high	60 Å²	60	62.3 Å²	62.3	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-68.1	-51.1	177.5	-172	166.9	-157.6	0	0	111.4	T74 K75 I76 I218 G241 A246 V247	T74-E243 WeakPolarHBondContact CA-OE1 3.47Å; T74-E243 VanDerWaalsContact CB-OE1 3.24Å; T74-E243 WeakPolarHBondContact CB-OE1 3.26Å; T74-E243 PolarHBondContact OG1-OE1 3.29Å; K75-E243 PolarHBondContact N-OE1 3.09Å; K75-E243 VanDerWaalsContact N-OE1 3.11Å; I76-E243 HydrophobicContact CD1-CG 3.82Å; I76-E243 WeakPolarHBondContact CG1-OE1 3.2Å; I218-E243 HydrophobicContact CD1-CG 4.31Å; G241-E243 VanDerWaalsContact C-N 3.26Å; G241-E243 PolarHBondContact O-N 2.94Å; E243-A246 WeakPolarHBondContact O-CB 3.47Å; E243-A246 PolarHBondContact O-N 2.92Å; E243-V247 WeakPolarHBondContact O-CG2 3.39Å; E243-V247 PolarHBondContact O-N 2.94Å
244	D	93.3	Very high	90.7	Very high	113 Å²	113	58.9 Å²	58.9	60%	0.604	31%	0.309	S	S	*	.	H	α-helix	trans	-62.4	-44.7	176.4	-60.6	-64.3	0	0	0	111.9	G241 A246 V247 I248	G241-D244 PolarHBondContact O-N 3.43Å; D244-A246 VanDerWaalsContact C-N 3.26Å; D244-A246 PolarHBondContact O-N 2.65Å; D244-V247 WeakPolarHBondContact O-CB 3.16Å; D244-V247 PolarHBondContact O-N 3.18Å; D244-V247 VanDerWaalsContact O-N 3.14Å; D244-I248 WeakPolarHBondContact O-CG1 3.41Å; D244-I248 PolarHBondContact O-N 3.39Å
245	A	94.6	Very high	90.7	Very high	4 Å²	4	58.4 Å²	58.4	3%	0.033	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-36.8	176.3	0	0	0	0	0	112	F55 V231 G241 A249	F55-A245 HydrophobicContact CE1-CB 4.36Å; F55-A245 HydrophobicContact CZ-CB 4.33Å; V231-A245 HydrophobicContact CG2-CB 3.5Å; V231-A245 VanDerWaalsContact CG2-CB 3.5Å; G241-A245 WeakPolarHBondContact O-CB 3.49Å; G241-A245 PolarHBondContact O-N 2.82Å; A245-A249 WeakPolarHBondContact O-CB 3.43Å; A245-A249 PolarHBondContact O-N 3.23Å
246	A	93.3	Very high	90.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.9	-41.3	174.4	0	0	0	0	0	112.4	I54 F55 V200 V242 E243 D244 I248 A249 V250	I54-A246 HydrophobicContact CD1-CB 3.97Å; I54-A246 HydrophobicContact CG1-CB 4.16Å; I54-A246 HydrophobicContact CG2-CB 3.74Å; F55-A246 HydrophobicContact CE1-CB 4.17Å; F55-A246 HydrophobicContact CZ-CB 4.22Å; V200-A246 HydrophobicContact CG2-CB 4.17Å; V200-A246 WeakPolarHBondContact CG2-O 3.19Å; V242-A246 WeakPolarHBondContact O-CB 3.5Å; V242-A246 PolarHBondContact O-N 3.19Å; E243-A246 WeakPolarHBondContact O-CB 3.47Å; E243-A246 PolarHBondContact O-N 2.92Å; D244-A246 VanDerWaalsContact C-N 3.26Å; D244-A246 PolarHBondContact O-N 2.65Å; A246-I248 VanDerWaalsContact C-N 3.32Å; A246-I248 PolarHBondContact O-N 2.66Å; A246-A249 PolarHBondContact O-N 3.19Å; A246-V250 WeakPolarHBondContact O-CG2 3.37Å; A246-V250 PolarHBondContact O-N 3.47Å
247	V	92.7	Very high	90.3	Very high	69 Å²	69	46.7 Å²	46.7	42%	0.418	25%	0.251	S	S	.	.	H	α-helix	trans	-58.8	-45.8	175.4	171.8	0	0	0	0	110.6	I76 V200 E243 D244	I76-V247 HydrophobicContact CD1-CG2 3.94Å; V200-V247 HydrophobicContact CB-CG2 4.23Å; V200-V247 HydrophobicContact CG1-CG2 4.47Å; V200-V247 HydrophobicContact CG2-CB 4.36Å; V200-V247 HydrophobicContact CG2-CG2 3.91Å; E243-V247 WeakPolarHBondContact O-CG2 3.39Å; E243-V247 PolarHBondContact O-N 2.94Å; D244-V247 WeakPolarHBondContact O-CB 3.16Å; D244-V247 PolarHBondContact O-N 3.18Å; D244-V247 VanDerWaalsContact O-N 3.14Å
248	I	92.5	Very high	90.3	Very high	66 Å²	66	44.4 Å²	44.4	34%	0.338	24%	0.24	S	C	.	.	H	α-helix	trans	-63.5	-51.2	175.3	-66.8	167.6	0	0	0	110.6	D244 A246 V250 T251 R252	D244-I248 WeakPolarHBondContact O-CG1 3.41Å; D244-I248 PolarHBondContact O-N 3.39Å; A246-I248 VanDerWaalsContact C-N 3.32Å; A246-I248 PolarHBondContact O-N 2.66Å; I248-V250 PolarHBondContact O-N 3Å; I248-T251 PolarHBondContact O-N 2.99Å; I248-T251 PolarHBondContact O-OG1 3.02Å; I248-R252 HydrophobicContact CG2-CG 4.22Å; I248-R252 VanDerWaalsContact CG2-NE 3.25Å; I248-R252 PolarHBondContact O-N 3.09Å
249	A	92.8	Very high	90.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-38.5	-172.6	0	0	0	0	0	113.8	F55 A245 A246 T251 R252 G261 A262	F55-A249 HydrophobicContact CD1-CB 3.59Å; F55-A249 HydrophobicContact CE1-CB 3.83Å; A245-A249 WeakPolarHBondContact O-CB 3.43Å; A245-A249 PolarHBondContact O-N 3.23Å; A246-A249 PolarHBondContact O-N 3.19Å; A249-T251 PolarHBondContact O-N 3.45Å; A249-R252 PolarHBondContact O-N 3Å; A249-G261 CarbonylContact O-C 3.52Å; A249-G261 WeakPolarHBondContact O-CA 3.39Å; A249-G261 PolarHBondContact O-N 2.74Å; A249-A262 PolarHBondContact O-N 3.49Å
250	V	90	Very high	90.2	Very high	8 Å²	8	46.5 Å²	46.5	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-23.6	177.4	171.9	0	0	0	0	111.8	I54 L198 V200 L203 A246 I248 Y260	I54-V250 HydrophobicContact CG1-CG2 4.32Å; L198-V250 WeakPolarHBondContact O-CG1 3.49Å; V200-V250 HydrophobicContact CG2-CB 4.32Å; V200-V250 HydrophobicContact CG2-CG2 3.85Å; L203-V250 HydrophobicContact CD1-CG2 4.25Å; A246-V250 WeakPolarHBondContact O-CG2 3.37Å; A246-V250 PolarHBondContact O-N 3.47Å; I248-V250 PolarHBondContact O-N 3Å; V250-Y260 WeakPolarHBondContact O-CB 3.49Å; V250-Y260 VanDerWaalsContact O-CD1 3.32Å; V250-Y260 WeakPolarHBondContact O-CD1 3.35Å
251	T	89.6	Confident	90.3	Very high	103 Å²	103	42.1 Å²	42.1	63%	0.632	22%	0.218	S	C	*	.	H	α-helix	trans	-90.8	-17.2	173.2	72.7	0	0	0	0	114.6	I248 A249 Y260	I248-T251 PolarHBondContact O-N 2.99Å; I248-T251 PolarHBondContact O-OG1 3.02Å; A249-T251 PolarHBondContact O-N 3.45Å; T251-Y260 WeakPolarHBondContact O-CD1 3.41Å; T251-Y260 VanDerWaalsContact O-CE1 3.24Å; T251-Y260 WeakPolarHBondContact O-CE1 3.25Å
252	R	91.4	Very high	90.3	Very high	68 Å²	68	41 Å²	41	26%	0.257	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-90.5	128.8	-178.2	-72.6	-178.6	174.5	174.3	2.6	112.3	D229 I248 A249 Y260 G261 A262	D229-R252 IonicContact OD2-CZ 3.31Å; D229-R252 VanDerWaalsContact OD2-CZ 3.24Å; D229-R252 IonicContact OD2-NH1 2.8Å; D229-R252 PolarHBondContact OD2-NH1 2.92Å; D229-R252 IonicContact OD2-NH2 3.88Å; D229-R252 PolarHBondContact OD2-NH2 2.81Å; I248-R252 HydrophobicContact CG2-CG 4.22Å; I248-R252 VanDerWaalsContact CG2-NE 3.25Å; I248-R252 PolarHBondContact O-N 3.09Å; A249-R252 PolarHBondContact O-N 3Å; R252-Y260 WeakPolarHBondContact O-CA 3.5Å; R252-G261 PolarHBondContact O-N 3.11Å; R252-A262 HydrophobicContact CB-CB 4.4Å; R252-A262 WeakPolarHBondContact CB-O 3.44Å; R252-A262 WeakPolarHBondContact CD-O 3.49Å; R252-A262 PolarHBondContact O-N 2.8Å; R252-A262 VanDerWaalsContact O-N 3.16Å
253	K	91	Very high	90.3	Very high	105 Å²	105	40.9 Å²	40.9	46%	0.457	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-85.9	142.5	173.9	-67.4	-176	-178.4	177	0	111.6	R259 Y260	K253-R259 WeakPolarHBondContact CA-O 3.28Å; K253-Y260 HydrophobicContact CD-CE1 4.22Å; K253-Y260 WeakPolarHBondContact CE-OH 3.43Å; K253-Y260 HydrophobicContact CG-CD1 3.66Å; K253-Y260 HydrophobicContact CG-CE1 3.48Å; K253-Y260 VanDerWaalsContact CG-CE1 3.48Å; K253-Y260 HydrophobicContact CG-CG 4.31Å
254	C	91.6	Very high	90.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-77.5	130	175.3	176.8	0	0	0	0	111.7	L256 C257 L258 R259 A262 C274 H276 C279	C254-L256 PolarHBondContact O-N 3.08Å; C254-L256 VanDerWaalsContact O-N 3.12Å; C254-C257 VanDerWaalsContact CB-SG 3.54Å; C254-C257 VanDerWaalsContact SG-SG 3.66Å; C254-L258 WeakPolarHBondContact O-CA 3.01Å; C254-L258 PolarHBondContact O-N 3.07Å; C254-R259 PolarHBondContact N-O 2.94Å; C254-A262 HydrophobicContact CB-CB 3.82Å; C254-C274 WeakPolarHBondContact CA-O 3.42Å; C254-H276 VanDerWaalsContact CB-CE1 3.41Å; C254-H276 WeakPolarHBondContact CB-CE1 3.22Å; C254-H276 VanDerWaalsContact CB-ND1 3.32Å; C254-H276 WeakPolarHBondContact CB-ND1 3.34Å; C254-C279 WeakPolarHBondContact SG-CB 3.43Å; C254-C279 VanDerWaalsContact SG-SG 3.67Å
255	S	88.8	Confident	90.5	Very high	20 Å²	20	34.3 Å²	34.3	14%	0.14	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.1	-178.2	-51.4	0	0	0	0	114.2	S273 C274	S255-S273 WeakPolarHBondContact OG-CA 3.13Å; S255-C274 WeakPolarHBondContact CB-O 3.5Å; S255-C274 PolarHBondContact N-O 3.35Å; S255-C274 PolarHBondContact OG-N 3.3Å; S255-C274 PolarHBondContact OG-O 3.33Å
256	L	82.4	Confident	90.5	Very high	21 Å²	21	34.5 Å²	34.5	11%	0.11	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-53.2	175.7	-176.3	68.2	0	0	0	112.9	V137 L184 C254 F275 C279 A283	V137-L256 HydrophobicContact CG2-CD1 4.39Å; L184-L256 HydrophobicContact CD1-CD2 4.11Å; C254-L256 PolarHBondContact O-N 3.08Å; C254-L256 VanDerWaalsContact O-N 3.12Å; L256-F275 HydrophobicContact CB-CD1 4.46Å; L256-C279 HydrophobicContact CB-CB 4.12Å; L256-C279 HydrophobicContact CD2-CB 3.96Å; L256-C279 WeakPolarHBondContact CD2-O 3.48Å; L256-A283 HydrophobicContact CD1-CB 4.31Å; L256-A283 HydrophobicContact CD2-CB 4.25Å
257	C	82.1	Confident	90.4	Very high	26 Å²	26	38.9 Å²	38.9	18%	0.176	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-2.9	-173	71.8	0	0	0	0	114.6	C254 R259 H276	C254-C257 VanDerWaalsContact CB-SG 3.54Å; C254-C257 VanDerWaalsContact SG-SG 3.66Å; C257-R259 PolarHBondContact O-N 3.3Å; C257-H276 VanDerWaalsContact SG-CE1 3.6Å
258	L	84.4	Confident	90.3	Very high	53 Å²	53	37.1 Å²	37.1	28%	0.277	18%	0.181	S	C	.	.			trans	58.1	10.7	178.6	-55.5	177.1	0	0	0	116	A130 C135 C254	A130-L258 HydrophobicContact CB-CD1 4.07Å; C135-L258 VanDerWaalsContact SG-CD1 3.54Å; C254-L258 WeakPolarHBondContact O-CA 3.01Å; C254-L258 PolarHBondContact O-N 3.07Å
259	R	84.6	Confident	90	Very high	82 Å²	82	40.3 Å²	40.3	31%	0.309	21%	0.209	S	C	.	.			trans	-91.3	156.7	175.2	-70.7	160.3	171.4	-102.2	5	111.6	N185 V187 G188 W189 K253 C254 C257	N185-R259 VanDerWaalsContact O-CZ 3.31Å; N185-R259 PolarHBondContact O-NH2 3.22Å; V187-R259 WeakPolarHBondContact O-CD 3.43Å; G188-R259 PolarHBondContact O-NH1 2.85Å; W189-R259 WeakPolarHBondContact O-CB 3.33Å; K253-R259 WeakPolarHBondContact CA-O 3.28Å; C254-R259 PolarHBondContact N-O 2.94Å; C257-R259 PolarHBondContact O-N 3.3Å
260	Y	90.9	Very high	89.8	Confident	55 Å²	55	46.2 Å²	46.2	22%	0.216	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-76.5	168.7	-179.9	-71.3	-71.1	0	0	0	113	G188 W189 S191 V250 T251 R252 K253 H276	G188-Y260 CarbonylContact C-O 3.56Å; G188-Y260 VanDerWaalsContact CA-O 3.28Å; G188-Y260 WeakPolarHBondContact CA-O 3.47Å; W189-Y260 PolarHBondContact N-O 3.35Å; W189-Y260 PolarHBondContact O-N 3.5Å; S191-Y260 WeakPolarHBondContact OG-CE2 3.4Å; V250-Y260 WeakPolarHBondContact O-CB 3.49Å; V250-Y260 VanDerWaalsContact O-CD1 3.32Å; V250-Y260 WeakPolarHBondContact O-CD1 3.35Å; T251-Y260 WeakPolarHBondContact O-CD1 3.41Å; T251-Y260 VanDerWaalsContact O-CE1 3.24Å; T251-Y260 WeakPolarHBondContact O-CE1 3.25Å; R252-Y260 WeakPolarHBondContact O-CA 3.5Å; K253-Y260 HydrophobicContact CD-CE1 4.22Å; K253-Y260 WeakPolarHBondContact CE-OH 3.43Å; K253-Y260 HydrophobicContact CG-CD1 3.66Å; K253-Y260 HydrophobicContact CG-CE1 3.48Å; K253-Y260 VanDerWaalsContact CG-CE1 3.48Å; K253-Y260 HydrophobicContact CG-CG 4.31Å; Y260-H276 PolarHBondContact O-NE2 2.93Å
261	G	91.2	Very high	89.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.			trans	96	12.4	-176.6	0	0	0	0	0	114.2	F55 A249 R252 S263 H276	F55-G261 CarbonylContact C-O 3.11Å; F55-G261 CarbonylContact O-C 3.36Å; F55-G261 VanDerWaalsContact O-CA 3.32Å; F55-G261 WeakPolarHBondContact O-CA 3.24Å; F55-G261 VanDerWaalsContact O-O 3.05Å; A249-G261 CarbonylContact O-C 3.52Å; A249-G261 WeakPolarHBondContact O-CA 3.39Å; A249-G261 PolarHBondContact O-N 2.74Å; R252-G261 PolarHBondContact O-N 3.11Å; G261-S263 PolarHBondContact O-N 3.47Å; G261-H276 VanDerWaalsContact C-CD2 3.46Å; G261-H276 PolarHBondContact O-CD2 2.92Å
262	A	93	Very high	89.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	S	.	.			trans	-82.7	93.3	-174.5	0	0	0	0	0	111.7	A249 R252 C254 C274	A249-A262 PolarHBondContact O-N 3.49Å; R252-A262 HydrophobicContact CB-CB 4.4Å; R252-A262 WeakPolarHBondContact CB-O 3.44Å; R252-A262 WeakPolarHBondContact CD-O 3.49Å; R252-A262 PolarHBondContact O-N 2.8Å; R252-A262 VanDerWaalsContact O-N 3.16Å; C254-A262 HydrophobicContact CB-CB 3.82Å; A262-C274 HydrophobicContact CB-CB 4.05Å
263	S	94.1	Very high	90	Very high	4 Å²	4	46 Å²	46	3%	0.028	24%	0.243	C	C	.	.			trans	-87.9	-21.7	-174.6	54.7	0	0	0	0	115.7	S228 D229 G261 S265 F275	S228-S263 WeakPolarHBondContact OG-CB 3.36Å; S228-S263 PolarHBondContact OG-OG 3.4Å; D229-S263 WeakPolarHBondContact CB-O 3.45Å; D229-S263 PolarHBondContact N-O 3.44Å; D229-S263 VanDerWaalsContact N-O 3.15Å; G261-S263 PolarHBondContact O-N 3.47Å; S263-S265 PolarHBondContact O-N 2.76Å; S263-F275 PolarHBondContact N-O 3.21Å
264	I	95.2	Very high	90.1	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.015	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-91.4	108.2	-174	-41.7	-178.9	0	0	0	109	W227 C274 F275 F277 L294	W227-I264 HydrophobicContact CB-CD1 3.7Å; W227-I264 HydrophobicContact CB-CG1 4.1Å; W227-I264 WeakPolarHBondContact O-CG1 3.48Å; I264-C274 CarbonylContact O-C 3.48Å; I264-C274 VanDerWaalsContact O-CA 3.29Å; I264-C274 WeakPolarHBondContact O-CA 3.22Å; I264-F275 PolarHBondContact N-O 3.32Å; I264-F275 VanDerWaalsContact N-O 3.08Å; I264-F275 PolarHBondContact O-N 3.21Å; I264-F277 VanDerWaalsContact CD1-CA 3.49Å; I264-F277 HydrophobicContact CD1-CB 3.89Å; I264-F277 HydrophobicContact CD1-CD2 4.11Å; I264-L294 HydrophobicContact CB-CD1 4.39Å; I264-L294 HydrophobicContact CG2-CB 3.8Å; I264-L294 HydrophobicContact CG2-CD1 3.65Å; I264-L294 HydrophobicContact CG2-CG 4.31Å
265	S	94.6	Very high	90.2	Very high	33 Å²	33	41.9 Å²	41.9	23%	0.231	23%	0.226	C	C	.	.			trans	-81.1	163.6	175.7	43.4	0	0	0	0	111.9	S263	S263-S265 PolarHBondContact O-N 2.76Å
266	C	94.2	Very high	90.4	Very high	7 Å²	7	41.1 Å²	41.1	5%	0.047	22%	0.22	C	C	.	.			trans	-84.2	134.3	166.7	178.1	0	0	0	0	108.9	I268 C271 S273 L294 C296	C266-I268 PolarHBondContact O-N 3.48Å; C266-I268 VanDerWaalsContact O-N 3.15Å; C266-C271 HydrophobicContact CB-CB 4.04Å; C266-C271 VanDerWaalsContact SG-SG 3.68Å; C266-S273 PolarHBondContact N-O 2.91Å; C266-L294 WeakPolarHBondContact CA-O 3.48Å; C266-L294 HydrophobicContact CB-CD2 4.29Å; C266-C296 HydrophobicContact CB-CB 4.2Å; C266-C296 PolarHBondContact SG-N 2.85Å
267	R	91.3	Very high	90.9	Very high	92 Å²	92	40.4 Å²	40.4	35%	0.347	22%	0.216	S	C	.	.	S	Bend	trans	-55.7	-33.4	-175.9	-175.1	177.3	78.5	-172.3	0.2	114.7	S269 E293 L294 L295 S306	R267-S269 PolarHBondContact O-N 2.92Å; R267-E293 WeakPolarHBondContact CD-OE1 3.47Å; R267-E293 WeakPolarHBondContact CD-OE2 3.38Å; R267-E293 IonicContact CZ-OE2 2.72Å; R267-E293 IonicContact NE-OE2 3.29Å; R267-E293 IonicContact NH1-OE2 3.27Å; R267-E293 PolarHBondContact NH1-OE2 3.43Å; R267-L294 PolarHBondContact N-O 3.14Å; R267-L295 HydrophobicContact CB-CD2 4.07Å; R267-S306 VanDerWaalsContact NH2-CB 3.33Å; R267-S306 PolarHBondContact NH2-OG 3.26Å
268	I	91.1	Very high	91.3	Very high	32 Å²	32	39.2 Å²	39.2	16%	0.164	21%	0.209	C	C	.	.	S	Bend	trans	-68.7	124.4	-175.7	-45.5	-50.6	0	0	0	109.7	C266 D270 C271 L295 H299 E302	C266-I268 PolarHBondContact O-N 3.48Å; C266-I268 VanDerWaalsContact O-N 3.15Å; I268-D270 WeakPolarHBondContact CG2-OD1 3.21Å; I268-D270 PolarHBondContact O-N 3.26Å; I268-D270 VanDerWaalsContact O-N 3.13Å; I268-C271 HydrophobicContact CB-CB 4.26Å; I268-C271 WeakPolarHBondContact O-CB 3.09Å; I268-C271 PolarHBondContact O-N 3Å; I268-L295 HydrophobicContact CD1-CD2 3.56Å; I268-L295 HydrophobicContact CG1-CD2 3.7Å; I268-H299 HydrophobicContact CG1-CB 3.82Å; I268-E302 WeakPolarHBondContact CD1-OE2 3.37Å; I268-E302 WeakPolarHBondContact CG1-OE2 3.3Å
269	S	85.4	Confident	91.5	Very high	133 Å²	133	36.7 Å²	36.7	93%	0.93	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-6.1	-163.5	52.2	0	0	0	0	116.3	R267	R267-S269 PolarHBondContact O-N 2.92Å
270	D	88.4	Confident	91.9	Very high	125 Å²	125	32.8 Å²	32.8	67%	0.668	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.3	10.2	171.4	66	-2.4	0	0	0	113.1	I268	I268-D270 WeakPolarHBondContact CG2-OD1 3.21Å; I268-D270 PolarHBondContact O-N 3.26Å; I268-D270 VanDerWaalsContact O-N 3.13Å
271	C	92.3	Very high	91.8	Very high	18 Å²	18	30.6 Å²	30.6	12%	0.122	17%	0.174	C	C	.	.			trans	-109.7	96.8	-172	-167.4	0	0	0	0	113.6	C266 I268 S273 H299	C266-C271 HydrophobicContact CB-CB 4.04Å; C266-C271 VanDerWaalsContact SG-SG 3.68Å; I268-C271 HydrophobicContact CB-CB 4.26Å; I268-C271 WeakPolarHBondContact O-CB 3.09Å; I268-C271 PolarHBondContact O-N 3Å; C271-S273 PolarHBondContact O-N 3.37Å; C271-S273 VanDerWaalsContact SG-CB 3.53Å; C271-S273 PolarHBondContact SG-OG 3.01Å; C271-H299 PolarHBondContact SG-CE1 3.22Å; C271-H299 PolarHBondContact SG-ND1 3.18Å
272	D	90.9	Very high	91.6	Very high	141 Å²	141	30.7 Å²	30.7	75%	0.754	18%	0.175	S	C	*	.			trans	-63.6	11.3	174.7	-50.4	-55.6	0	0	0	115.3	C274	D272-C274 PolarHBondContact O-N 3.39Å; D272-C274 VanDerWaalsContact O-N 3.08Å
273	S	91.8	Very high	91.2	Very high	14 Å²	14	31.2 Å²	31.2	10%	0.098	18%	0.179	C	C	.	.			trans	-84.4	87.9	-169.2	-55.3	0	0	0	0	112	S255 C266 C271 F275	S255-S273 WeakPolarHBondContact OG-CA 3.13Å; C266-S273 PolarHBondContact N-O 2.91Å; C271-S273 PolarHBondContact O-N 3.37Å; C271-S273 VanDerWaalsContact SG-CB 3.53Å; C271-S273 PolarHBondContact SG-OG 3.01Å; S273-F275 WeakPolarHBondContact O-CD2 3.47Å; S273-F275 VanDerWaalsContact O-CE2 3.26Å; S273-F275 WeakPolarHBondContact O-CE2 3.4Å
274	C	93.9	Very high	91	Very high	13 Å²	13	31.4 Å²	31.4	9%	0.088	18%	0.182	C	C	.	.			trans	-90	152.8	176.1	-58.2	0	0	0	0	112.4	C254 S255 A262 I264 D272	C254-C274 WeakPolarHBondContact CA-O 3.42Å; S255-C274 WeakPolarHBondContact CB-O 3.5Å; S255-C274 PolarHBondContact N-O 3.35Å; S255-C274 PolarHBondContact OG-N 3.3Å; S255-C274 PolarHBondContact OG-O 3.33Å; A262-C274 HydrophobicContact CB-CB 4.05Å; I264-C274 CarbonylContact O-C 3.48Å; I264-C274 VanDerWaalsContact O-CA 3.29Å; I264-C274 WeakPolarHBondContact O-CA 3.22Å; D272-C274 PolarHBondContact O-N 3.39Å; D272-C274 VanDerWaalsContact O-N 3.08Å
275	F	93.8	Very high	90.8	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.035	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-142.7	157.7	-178.8	-60.1	-93.2	0	0	0	112.4	L256 S263 I264 S273 A280 A283 C285 L294 C296	L256-F275 HydrophobicContact CB-CD1 4.46Å; S263-F275 PolarHBondContact N-O 3.21Å; I264-F275 PolarHBondContact N-O 3.32Å; I264-F275 VanDerWaalsContact N-O 3.08Å; I264-F275 PolarHBondContact O-N 3.21Å; S273-F275 WeakPolarHBondContact O-CD2 3.47Å; S273-F275 VanDerWaalsContact O-CE2 3.26Å; S273-F275 WeakPolarHBondContact O-CE2 3.4Å; F275-A280 HydrophobicContact CB-CB 4.07Å; F275-A283 HydrophobicContact CD1-CB 4.4Å; F275-A283 HydrophobicContact CE1-CB 3.92Å; F275-C285 VanDerWaalsContact CZ-SG 3.5Å; F275-L294 HydrophobicContact CD2-CD1 4.37Å; F275-L294 HydrophobicContact CD2-CD2 4.02Å; F275-L294 HydrophobicContact CE2-CD2 4.22Å; F275-C296 HydrophobicContact CE2-CB 3.8Å; F275-C296 HydrophobicContact CZ-CB 4.07Å
276	H	92.7	Very high	90.7	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.014	18%	0.175	C	C	.	.			trans	-81.5	153.4	156.4	-51.1	101.7	0	0	0	109.9	F55 V187 G188 C254 C257 Y260 G261 L278 C279 A280	F55-H276 PolarHBondContact O-CD2 3.19Å; F55-H276 PolarHBondContact O-NE2 3.29Å; V187-H276 HydrophobicContact CG1-CB 3.81Å; G188-H276 WeakPolarHBondContact CA-NE2 3.46Å; C254-H276 VanDerWaalsContact CB-CE1 3.41Å; C254-H276 WeakPolarHBondContact CB-CE1 3.22Å; C254-H276 VanDerWaalsContact CB-ND1 3.32Å; C254-H276 WeakPolarHBondContact CB-ND1 3.34Å; C257-H276 VanDerWaalsContact SG-CE1 3.6Å; Y260-H276 PolarHBondContact O-NE2 2.93Å; G261-H276 VanDerWaalsContact C-CD2 3.46Å; G261-H276 PolarHBondContact O-CD2 2.92Å; H276-L278 PolarHBondContact O-N 2.84Å; H276-C279 HydrophobicContact CB-CB 4.14Å; H276-C279 CarbonylContact O-C 3.6Å; H276-C279 WeakPolarHBondContact O-CA 3.41Å; H276-C279 WeakPolarHBondContact O-CB 3.14Å; H276-C279 PolarHBondContact O-N 3.07Å; H276-A280 PolarHBondContact O-N 3.19Å
277	F	93.5	Very high	90.6	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-45.5	-52.5	177.4	-173.8	-101.7	0	0	0	114.2	G65 Q66 C223 W227 I264 C279 A280 A281 F327 T329	G65-F277 VanDerWaalsContact O-CE1 3.27Å; G65-F277 WeakPolarHBondContact O-CE1 3.17Å; Q66-F277 HydrophobicContact CG-CD1 4.11Å; C223-F277 HydrophobicContact CB-CD1 4.39Å; C223-F277 HydrophobicContact CB-CD2 4.16Å; C223-F277 HydrophobicContact CB-CE1 4.06Å; C223-F277 HydrophobicContact CB-CE2 3.81Å; C223-F277 HydrophobicContact CB-CG 4.45Å; C223-F277 HydrophobicContact CB-CZ 3.75Å; C223-F277 WeakPolarHBondContact O-CD2 3.32Å; W227-F277 AromaticContact CD1-CE2 3.85Å; W227-F277 HydrophobicContact CD2-CD2 4.46Å; W227-F277 HydrophobicContact CD2-CE2 4.24Å; W227-F277 AromaticContact CE2-CE2 4Å; W227-F277 HydrophobicContact CG-CD2 4.1Å; W227-F277 HydrophobicContact CG-CE2 4.16Å; W227-F277 AromaticContact NE1-CE2 3.73Å; I264-F277 VanDerWaalsContact CD1-CA 3.49Å; I264-F277 HydrophobicContact CD1-CB 3.89Å; I264-F277 HydrophobicContact CD1-CD2 4.11Å; F277-C279 VanDerWaalsContact C-N 3.31Å; F277-C279 PolarHBondContact O-N 3.43Å; F277-A280 WeakPolarHBondContact O-CB 3.49Å; F277-A280 PolarHBondContact O-N 3.43Å; F277-A281 PolarHBondContact O-N 3.17Å; F277-F327 HydrophobicContact CZ-CE1 4.42Å; F277-T329 HydrophobicContact CE1-CG2 4.34Å; F277-T329 HydrophobicContact CZ-CG2 4.32Å
278	L	89.8	Confident	90.5	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-67.4	-29.1	176.9	-64.2	-171.5	0	0	0	113.9	M58 L64 Q66 L184 V187 H276 G282 I352	M58-L278 HydrophobicContact CE-CD1 4.48Å; M58-L278 HydrophobicContact SD-CD1 3.78Å; L64-L278 HydrophobicContact CB-CD1 4.01Å; L64-L278 HydrophobicContact CB-CD2 3.62Å; L64-L278 HydrophobicContact CB-CG 4.48Å; L64-L278 HydrophobicContact CD1-CD1 3.81Å; L64-L278 VanDerWaalsContact O-CD2 3.23Å; L64-L278 WeakPolarHBondContact O-CD2 3.47Å; Q66-L278 HydrophobicContact CG-CD1 4.31Å; Q66-L278 HydrophobicContact CG-CD2 3.84Å; Q66-L278 HydrophobicContact CG-CG 3.93Å; L184-L278 HydrophobicContact CD2-CB 4.26Å; V187-L278 HydrophobicContact CG2-CD1 4.12Å; H276-L278 PolarHBondContact O-N 2.84Å; L278-G282 PolarHBondContact O-N 2.85Å; L278-I352 HydrophobicContact CB-CG2 4.18Å; L278-I352 HydrophobicContact CD1-CG2 4.4Å; L278-I352 HydrophobicContact CD2-CG2 4Å; L278-I352 HydrophobicContact CG-CG2 4.43Å
279	C	89.5	Confident	90.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-77	-32	177.4	-71.6	0	0	0	0	112.1	C254 L256 H276 F277 G282 A283	C254-C279 WeakPolarHBondContact SG-CB 3.43Å; C254-C279 VanDerWaalsContact SG-SG 3.67Å; L256-C279 HydrophobicContact CB-CB 4.12Å; L256-C279 HydrophobicContact CD2-CB 3.96Å; L256-C279 WeakPolarHBondContact CD2-O 3.48Å; H276-C279 HydrophobicContact CB-CB 4.14Å; H276-C279 CarbonylContact O-C 3.6Å; H276-C279 WeakPolarHBondContact O-CA 3.41Å; H276-C279 WeakPolarHBondContact O-CB 3.14Å; H276-C279 PolarHBondContact O-N 3.07Å; F277-C279 VanDerWaalsContact C-N 3.31Å; F277-C279 PolarHBondContact O-N 3.43Å; C279-G282 PolarHBondContact O-N 2.92Å; C279-A283 WeakPolarHBondContact O-CB 3.32Å; C279-A283 PolarHBondContact O-N 2.78Å
280	A	92.1	Very high	90.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.9	-54.7	171.6	0	0	0	0	0	110.5	F275 H276 F277 G282 A283 G284 C285 L294	F275-A280 HydrophobicContact CB-CB 4.07Å; H276-A280 PolarHBondContact O-N 3.19Å; F277-A280 WeakPolarHBondContact O-CB 3.49Å; F277-A280 PolarHBondContact O-N 3.43Å; A280-G282 PolarHBondContact O-N 2.89Å; A280-A283 PolarHBondContact O-N 2.86Å; A280-G284 PolarHBondContact O-N 3.45Å; A280-C285 HydrophobicContact CB-CB 4.02Å; A280-C285 WeakPolarHBondContact O-CB 3.32Å; A280-C285 PolarHBondContact O-N 2.83Å; A280-L294 HydrophobicContact CB-CD1 3.38Å
281	A	90.1	Very high	90.5	Very high	9 Å²	9	25.2 Å²	25.2	7%	0.074	14%	0.142	C	C	.	.	H	α-helix	trans	-56.8	-47.2	173	0	0	0	0	0	111.8	F277 A283 G284 R351	F277-A281 PolarHBondContact O-N 3.17Å; A281-A283 VanDerWaalsContact C-N 3.35Å; A281-A283 PolarHBondContact O-N 3.05Å; A281-G284 PolarHBondContact O-N 3.31Å; A281-R351 WeakPolarHBondContact O-CB 3.28Å; A281-R351 WeakPolarHBondContact O-CD 3.03Å
282	G	85.6	Confident	90.4	Very high	2 Å²	2	26.7 Å²	26.7	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-61	-36.3	179	0	0	0	0	0	114.7	L278 C279 A280 G284 P348	L278-G282 PolarHBondContact O-N 2.85Å; C279-G282 PolarHBondContact O-N 2.92Å; A280-G282 PolarHBondContact O-N 2.89Å; G282-G284 VanDerWaalsContact C-N 3.32Å; G282-P348 WeakPolarHBondContact O-CB 3.46Å; G282-P348 WeakPolarHBondContact O-CG 3.34Å
283	A	86	Confident	90.4	Very high	10 Å²	10	23.7 Å²	23.7	8%	0.083	13%	0.13	C	C	.	.	H	α-helix	trans	-76.9	-16.7	178.1	0	0	0	0	0	113.6	L256 F275 C279 A280 A281 P297	L256-A283 HydrophobicContact CD1-CB 4.31Å; L256-A283 HydrophobicContact CD2-CB 4.25Å; F275-A283 HydrophobicContact CD1-CB 4.4Å; F275-A283 HydrophobicContact CE1-CB 3.92Å; C279-A283 WeakPolarHBondContact O-CB 3.32Å; C279-A283 PolarHBondContact O-N 2.78Å; A280-A283 PolarHBondContact O-N 2.86Å; A281-A283 VanDerWaalsContact C-N 3.35Å; A281-A283 PolarHBondContact O-N 3.05Å; A283-P297 HydrophobicContact CB-CG 4.29Å; A283-P297 WeakPolarHBondContact O-CG 3.32Å
284	G	88.3	Confident	90.4	Very high	9 Å²	9	23.2 Å²	23.2	9%	0.093	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	27.6	-169	0	0	0	0	0	113.3	A280 A281 G282	A280-G284 PolarHBondContact O-N 3.45Å; A281-G284 PolarHBondContact O-N 3.31Å; G282-G284 VanDerWaalsContact C-N 3.32Å
285	C	91	Very high	90.3	Very high	8 Å²	8	23.1 Å²	23.1	5%	0.054	12%	0.124	C	C	.	.			trans	-64.6	136.8	167.8	-57.1	0	0	0	0	109.8	F275 A280 Q287 L294 L295	F275-C285 VanDerWaalsContact CZ-SG 3.5Å; A280-C285 HydrophobicContact CB-CB 4.02Å; A280-C285 WeakPolarHBondContact O-CB 3.32Å; A280-C285 PolarHBondContact O-N 2.83Å; C285-Q287 PolarHBondContact O-NE2 2.85Å; C285-L294 HydrophobicContact CB-CD1 3.8Å; C285-L294 HydrophobicContact CB-CD2 4.11Å; C285-L294 HydrophobicContact CB-CG 3.9Å; C285-L295 CarbonylContact C-O 3.58Å; C285-L295 WeakPolarHBondContact CA-O 3.49Å; C285-L295 WeakPolarHBondContact CB-O 3.39Å
286	L	92	Very high	90.2	Very high	10 Å²	10	22.8 Å²	22.8	5%	0.052	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	133.7	171.6	-171.5	62.9	0	0	0	108.6	L294 L295 I300 A303 I311 L322 L325	L286-L294 WeakPolarHBondContact O-CA 3.44Å; L286-L295 HydrophobicContact CB-CB 4.35Å; L286-L295 PolarHBondContact N-O 3.39Å; L286-L295 PolarHBondContact O-N 3.48Å; L286-I300 HydrophobicContact CB-CD1 4.04Å; L286-I300 HydrophobicContact CB-CG1 3.96Å; L286-I300 HydrophobicContact CD2-CG1 4.05Å; L286-A303 HydrophobicContact CD2-CB 3.51Å; L286-I311 HydrophobicContact CD1-CG2 3.8Å; L286-I311 HydrophobicContact CD2-CD1 3.93Å; L286-I311 HydrophobicContact CD2-CG2 4.1Å; L286-I311 HydrophobicContact CG-CD1 4.3Å; L286-I311 HydrophobicContact CG-CG2 4.34Å; L286-L322 HydrophobicContact CD2-CD1 4.4Å; L286-L325 HydrophobicContact CD1-CD1 4.33Å
287	Q	92.2	Very high	90	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.009	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	121.5	-173.5	-79.2	151.6	98.1	0	0	106.8	W227 C285 L294 F327 H334	W227-Q287 HydrophobicContact CH2-CB 3.65Å; W227-Q287 HydrophobicContact CH2-CG 4.32Å; W227-Q287 HydrophobicContact CZ3-CB 3.65Å; W227-Q287 HydrophobicContact CZ3-CG 3.93Å; C285-Q287 PolarHBondContact O-NE2 2.85Å; Q287-L294 HydrophobicContact CG-CD1 4.27Å; Q287-F327 HydrophobicContact CB-CD1 4.38Å; Q287-F327 HydrophobicContact CB-CD2 4.11Å; Q287-F327 HydrophobicContact CB-CE1 4.49Å; Q287-F327 HydrophobicContact CB-CE2 4.22Å; Q287-F327 HydrophobicContact CB-CG 4.18Å; Q287-F327 HydrophobicContact CB-CZ 4.42Å; Q287-F327 WeakPolarHBondContact O-CD2 3.31Å; Q287-H334 PolarHBondContact O-NE2 2.9Å
288	D	90.3	Very high	89.7	Confident	11 Å²	11	28.5 Å²	28.5	6%	0.059	16%	0.159	C	C	.	.			trans	-106.6	123.9	178.2	174.1	40.8	0	0	0	110.4	W227 E290 S291 L292 E293 S310 I311	W227-D288 WeakPolarHBondContact CH2-O 3.42Å; D288-E290 PolarHBondContact OD1-N 2.92Å; D288-S291 WeakPolarHBondContact OD2-CB 3.21Å; D288-S291 PolarHBondContact OD2-N 3.15Å; D288-S291 PolarHBondContact OD2-OG 2.82Å; D288-L292 WeakPolarHBondContact O-CA 3.39Å; D288-L292 PolarHBondContact O-N 3.23Å; D288-E293 PolarHBondContact N-O 3.22Å; D288-S310 VanDerWaalsContact CG-OG 3.31Å; D288-S310 WeakPolarHBondContact OD1-CB 3.48Å; D288-S310 PolarHBondContact OD1-OG 2.99Å; D288-I311 HydrophobicContact CB-CD1 4.25Å; D288-I311 HydrophobicContact CB-CG1 4.47Å
289	I	90	Very high	89.8	Confident	73 Å²	73	30 Å²	30	37%	0.374	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-25.5	-174.5	-166.4	163.8	0	0	0	112.9	F327	I289-F327 HydrophobicContact CB-CE2 4.32Å
290	E	87.1	Confident	89.7	Confident	138 Å²	138	30.5 Å²	30.5	65%	0.645	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-37.9	-177.3	-66.8	-178.6	-165.1	0	0	111.7	D288 S310	D288-E290 PolarHBondContact OD1-N 2.92Å; E290-S310 VanDerWaalsContact CD-CB 3.45Å; E290-S310 WeakPolarHBondContact OE1-CB 3.42Å
291	S	87.5	Confident	89.3	Confident	52 Å²	52	34.6 Å²	34.6	36%	0.364	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-16.6	177.4	62	0	0	0	0	114.4	D288 E293	D288-S291 WeakPolarHBondContact OD2-CB 3.21Å; D288-S291 PolarHBondContact OD2-N 3.15Å; D288-S291 PolarHBondContact OD2-OG 2.82Å; S291-E293 PolarHBondContact O-N 2.96Å; S291-E293 WeakPolarHBondContact OG-CB 3.21Å; S291-E293 PolarHBondContact OG-N 3.43Å
292	L	90.7	Very high	89.1	Confident	50 Å²	50	37.8 Å²	37.8	26%	0.262	21%	0.211	S	C	.	.			trans	59.2	18.1	-168	-56.6	171.7	0	0	0	113.8	W227 F233 D288	W227-L292 HydrophobicContact CD2-CB 4.48Å; W227-L292 HydrophobicContact CD2-CD2 4.14Å; W227-L292 VanDerWaalsContact CE3-O 3.24Å; W227-L292 HydrophobicContact CG-CD2 4.5Å; W227-L292 HydrophobicContact CH2-CD2 4.47Å; W227-L292 HydrophobicContact CZ2-CD2 3.83Å; F233-L292 HydrophobicContact CE2-CD1 4.26Å; D288-L292 WeakPolarHBondContact O-CA 3.39Å; D288-L292 PolarHBondContact O-N 3.23Å
293	E	90.5	Very high	88.9	Confident	78 Å²	78	38 Å²	38	36%	0.364	21%	0.212	S	C	.	.			trans	-86.5	152.6	-179.8	-63.9	-177.5	134.2	0	0	113.1	R267 D288 S291	R267-E293 WeakPolarHBondContact CD-OE1 3.47Å; R267-E293 WeakPolarHBondContact CD-OE2 3.38Å; R267-E293 IonicContact CZ-OE2 2.72Å; R267-E293 IonicContact NE-OE2 3.29Å; R267-E293 IonicContact NH1-OE2 3.27Å; R267-E293 PolarHBondContact NH1-OE2 3.43Å; D288-E293 PolarHBondContact N-O 3.22Å; S291-E293 PolarHBondContact O-N 2.96Å; S291-E293 WeakPolarHBondContact OG-CB 3.21Å; S291-E293 PolarHBondContact OG-N 3.43Å
294	L	92.4	Very high	88.5	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140	177.9	178	153	0	0	0	112	I264 C266 R267 F275 A280 C285 L286 Q287	I264-L294 HydrophobicContact CB-CD1 4.39Å; I264-L294 HydrophobicContact CG2-CB 3.8Å; I264-L294 HydrophobicContact CG2-CD1 3.65Å; I264-L294 HydrophobicContact CG2-CG 4.31Å; C266-L294 WeakPolarHBondContact CA-O 3.48Å; C266-L294 HydrophobicContact CB-CD2 4.29Å; R267-L294 PolarHBondContact N-O 3.14Å; F275-L294 HydrophobicContact CD2-CD1 4.37Å; F275-L294 HydrophobicContact CD2-CD2 4.02Å; F275-L294 HydrophobicContact CE2-CD2 4.22Å; A280-L294 HydrophobicContact CB-CD1 3.38Å; C285-L294 HydrophobicContact CB-CD1 3.8Å; C285-L294 HydrophobicContact CB-CD2 4.11Å; C285-L294 HydrophobicContact CB-CG 3.9Å; L286-L294 WeakPolarHBondContact O-CA 3.44Å; Q287-L294 HydrophobicContact CG-CD1 4.27Å
295	L	91.9	Very high	87.8	Confident	10 Å²	10	45.7 Å²	45.7	5%	0.052	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.4	164.5	-68	171.4	0	0	0	110.3	R267 I268 C285 L286 H299 A303	R267-L295 HydrophobicContact CB-CD2 4.07Å; I268-L295 HydrophobicContact CD1-CD2 3.56Å; I268-L295 HydrophobicContact CG1-CD2 3.7Å; C285-L295 CarbonylContact C-O 3.58Å; C285-L295 WeakPolarHBondContact CA-O 3.49Å; C285-L295 WeakPolarHBondContact CB-O 3.39Å; L286-L295 HydrophobicContact CB-CB 4.35Å; L286-L295 PolarHBondContact N-O 3.39Å; L286-L295 PolarHBondContact O-N 3.48Å; L295-H299 HydrophobicContact CD2-CB 4.46Å; L295-A303 HydrophobicContact CD1-CB 3.81Å
296	C	91.8	Very high	86.7	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.014	28%	0.277	C	S	.	.			trans	-70.9	165.6	179.3	77.9	0	0	0	0	111.5	C266 F275 V298 H299 I300	C266-C296 HydrophobicContact CB-CB 4.2Å; C266-C296 PolarHBondContact SG-N 2.85Å; F275-C296 HydrophobicContact CE2-CB 3.8Å; F275-C296 HydrophobicContact CZ-CB 4.07Å; C296-V298 PolarHBondContact O-N 3.11Å; C296-H299 CarbonylContact O-C 3.6Å; C296-H299 PolarHBondContact O-N 3.19Å; C296-I300 PolarHBondContact O-N 3.38Å
297	P	87.4	Confident	85.1	Confident	40 Å²	40	53.9 Å²	53.9	26%	0.26	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-10.5	-176	-21.8	35.2	0	0	0	114.8	A283 I300	A283-P297 HydrophobicContact CB-CG 4.29Å; A283-P297 WeakPolarHBondContact O-CG 3.32Å; P297-I300 WeakPolarHBondContact O-CG2 3.22Å
298	V	88.5	Confident	83.7	Confident	88 Å²	88	55.7 Å²	55.7	53%	0.533	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-37.8	173.1	-173.2	0	0	0	0	111.2	L163 C296	L163-V298 HydrophobicContact CD1-CG2 4.17Å; C296-V298 PolarHBondContact O-N 3.11Å
299	H	90.2	Very high	82.4	Confident	34 Å²	34	60.2 Å²	60.2	16%	0.157	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	6.2	-174.8	-57.2	160.3	0	0	0	113.2	I268 C271 L295 C296 S301 E302	I268-H299 HydrophobicContact CG1-CB 3.82Å; C271-H299 PolarHBondContact SG-CE1 3.22Å; C271-H299 PolarHBondContact SG-ND1 3.18Å; L295-H299 HydrophobicContact CD2-CB 4.46Å; C296-H299 CarbonylContact O-C 3.6Å; C296-H299 PolarHBondContact O-N 3.19Å; H299-S301 PolarHBondContact O-N 2.84Å; H299-S301 VanDerWaalsContact O-N 3.15Å; H299-E302 VanDerWaalsContact CB-OE1 3.31Å; H299-E302 WeakPolarHBondContact CB-OE1 3.45Å; H299-E302 IonicContact CD2-OE1 3.63Å; H299-E302 PolarHBondContact CD2-OE1 2.8Å; H299-E302 VanDerWaalsContact CD2-OE1 3.29Å; H299-E302 IonicContact CG-OE1 3.01Å; H299-E302 VanDerWaalsContact CG-OE1 3.31Å; H299-E302 WeakPolarHBondContact O-CB 3.29Å; H299-E302 PolarHBondContact O-N 3.32Å
300	I	88	Confident	81.6	Confident	10 Å²	10	58 Å²	58	5%	0.051	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-53.7	-34.8	177.8	-172	164.1	0	0	0	113	L286 C296 P297 E302 A303 L322	L286-I300 HydrophobicContact CB-CD1 4.04Å; L286-I300 HydrophobicContact CB-CG1 3.96Å; L286-I300 HydrophobicContact CD2-CG1 4.05Å; C296-I300 PolarHBondContact O-N 3.38Å; P297-I300 WeakPolarHBondContact O-CG2 3.22Å; I300-E302 PolarHBondContact O-N 2.93Å; I300-A303 WeakPolarHBondContact O-CB 3.41Å; I300-A303 PolarHBondContact O-N 3.3Å; I300-L322 HydrophobicContact CD1-CB 3.96Å; I300-L322 HydrophobicContact CG1-CB 3.85Å; I300-L322 HydrophobicContact CG1-CD1 4.25Å; I300-L322 WeakPolarHBondContact O-CD1 3.44Å
301	S	84.1	Confident	81.4	Confident	87 Å²	87	52.1 Å²	52.1	61%	0.608	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-65.3	-20.4	177.7	-55.7	0	0	0	0	114	H299 A303	H299-S301 PolarHBondContact O-N 2.84Å; H299-S301 VanDerWaalsContact O-N 3.15Å; S301-A303 VanDerWaalsContact C-N 3.29Å; S301-A303 PolarHBondContact O-N 3.42Å
302	E	85.3	Confident	81.4	Confident	76 Å²	76	53.2 Å²	53.2	36%	0.355	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-76	-17.1	-179	-62.2	175	-133.8	0	0	112.8	I268 H299 I300 L304 A305 S306	I268-E302 WeakPolarHBondContact CD1-OE2 3.37Å; I268-E302 WeakPolarHBondContact CG1-OE2 3.3Å; H299-E302 VanDerWaalsContact CB-OE1 3.31Å; H299-E302 WeakPolarHBondContact CB-OE1 3.45Å; H299-E302 IonicContact CD2-OE1 3.63Å; H299-E302 PolarHBondContact CD2-OE1 2.8Å; H299-E302 VanDerWaalsContact CD2-OE1 3.29Å; H299-E302 IonicContact CG-OE1 3.01Å; H299-E302 VanDerWaalsContact CG-OE1 3.31Å; H299-E302 WeakPolarHBondContact O-CB 3.29Å; H299-E302 PolarHBondContact O-N 3.32Å; I300-E302 PolarHBondContact O-N 2.93Å; E302-L304 PolarHBondContact O-N 3.4Å; E302-A305 WeakPolarHBondContact O-CA 3.3Å; E302-A305 WeakPolarHBondContact O-CB 3.41Å; E302-A305 PolarHBondContact O-N 3.29Å; E302-S306 PolarHBondContact O-N 3.33Å
303	A	82.4	Confident	81.5	Confident	6 Å²	6	50.9 Å²	50.9	5%	0.05	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-53.7	-39.7	172.9	0	0	0	0	0	112.1	L286 L295 I300 S301 A305 S306 I311 L322	L286-A303 HydrophobicContact CD2-CB 3.51Å; L295-A303 HydrophobicContact CD1-CB 3.81Å; I300-A303 WeakPolarHBondContact O-CB 3.41Å; I300-A303 PolarHBondContact O-N 3.3Å; S301-A303 VanDerWaalsContact C-N 3.29Å; S301-A303 PolarHBondContact O-N 3.42Å; A303-A305 VanDerWaalsContact C-N 3.27Å; A303-A305 PolarHBondContact O-N 2.83Å; A303-S306 PolarHBondContact O-N 3.37Å; A303-S306 PolarHBondContact O-OG 3.23Å; A303-I311 HydrophobicContact CB-CD1 4.34Å; A303-L322 HydrophobicContact CB-CD1 3.94Å
304	L	77.3	Confident	81.5	Confident	91 Å²	91	49.5 Å²	49.5	48%	0.476	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-64.3	-28.9	176.7	-58.6	177.7	0	0	0	112.7	E302 P319 L322	E302-L304 PolarHBondContact O-N 3.4Å; L304-P319 HydrophobicContact CD2-CB 3.97Å; L304-P319 HydrophobicContact CD2-CG 4.12Å; L304-L322 HydrophobicContact CD1-CD1 4.43Å; L304-L322 HydrophobicContact CD2-CD1 4.01Å; L304-L322 HydrophobicContact CD2-CD2 4.44Å; L304-L322 HydrophobicContact CD2-CG 4.37Å; L304-L322 HydrophobicContact CG-CD1 3.87Å
305	A	73.2	Confident	81.4	Confident	90 Å²	90	54.2 Å²	54.2	74%	0.744	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-32.3	177.9	0	0	0	0	0	112.2	E302 A303 N307	E302-A305 WeakPolarHBondContact O-CA 3.3Å; E302-A305 WeakPolarHBondContact O-CB 3.41Å; E302-A305 PolarHBondContact O-N 3.29Å; A303-A305 VanDerWaalsContact C-N 3.27Å; A303-A305 PolarHBondContact O-N 2.83Å; A305-N307 PolarHBondContact O-N 2.84Å
306	S	68.4	Low	81.5	Confident	52 Å²	52	55.7 Å²	55.7	36%	0.364	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	2.4	174.5	48.6	0	0	0	0	114.9	R267 E302 A303 C308	R267-S306 VanDerWaalsContact NH2-CB 3.33Å; R267-S306 PolarHBondContact NH2-OG 3.26Å; E302-S306 PolarHBondContact O-N 3.33Å; A303-S306 PolarHBondContact O-N 3.37Å; A303-S306 PolarHBondContact O-OG 3.23Å; S306-C308 PolarHBondContact O-N 2.85Å; S306-C308 VanDerWaalsContact O-N 3.1Å
307	N	57.4	Low	81.3	Confident	137 Å²	137	63.7 Å²	63.7	73%	0.733	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	32.6	173.5	-152.5	92.8	0	0	0	113.8	A305 T309	A305-N307 PolarHBondContact O-N 2.84Å; N307-T309 PolarHBondContact O-N 2.99Å
308	C	63.4	Low	81.3	Confident	41 Å²	41	63.8 Å²	63.8	28%	0.277	38%	0.382	S	S	.	.			trans	-75.6	112.8	-170.7	-158.5	0	0	0	0	110.6	S306 S310 I311	S306-C308 PolarHBondContact O-N 2.85Å; S306-C308 VanDerWaalsContact O-N 3.1Å; C308-S310 PolarHBondContact SG-OG 2.93Å; C308-I311 HydrophobicContact CB-CD1 4.18Å; C308-I311 HydrophobicContact CB-CG1 4.3Å
309	T	62.2	Low	81	Confident	106 Å²	106	61.9 Å²	61.9	65%	0.65	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-20.7	-172.9	42.6	0	0	0	0	114.4	N307 I311 Q312	N307-T309 PolarHBondContact O-N 2.99Å; T309-I311 VanDerWaalsContact C-N 3.25Å; T309-I311 PolarHBondContact O-N 3.22Å; T309-Q312 PolarHBondContact O-NE2 3.45Å
310	S	73.9	Confident	80.6	Confident	26 Å²	26	61 Å²	61	18%	0.182	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-28.1	177.7	60.1	0	0	0	0	113	D288 E290 C308 Q312	D288-S310 VanDerWaalsContact CG-OG 3.31Å; D288-S310 WeakPolarHBondContact OD1-CB 3.48Å; D288-S310 PolarHBondContact OD1-OG 2.99Å; E290-S310 VanDerWaalsContact CD-CB 3.45Å; E290-S310 WeakPolarHBondContact OE1-CB 3.42Å; C308-S310 PolarHBondContact SG-OG 2.93Å; S310-Q312 VanDerWaalsContact C-N 3.35Å; S310-Q312 PolarHBondContact O-N 3.35Å
311	I	82.5	Confident	80.5	Confident	14 Å²	14	62.8 Å²	62.8	7%	0.072	38%	0.381	C	S	.	.			trans	-90	68.6	-171.3	-44.4	-175.1	0	0	0	111.1	L286 D288 A303 C308 T309 L322 L325	L286-I311 HydrophobicContact CD1-CG2 3.8Å; L286-I311 HydrophobicContact CD2-CD1 3.93Å; L286-I311 HydrophobicContact CD2-CG2 4.1Å; L286-I311 HydrophobicContact CG-CD1 4.3Å; L286-I311 HydrophobicContact CG-CG2 4.34Å; D288-I311 HydrophobicContact CB-CD1 4.25Å; D288-I311 HydrophobicContact CB-CG1 4.47Å; A303-I311 HydrophobicContact CB-CD1 4.34Å; C308-I311 HydrophobicContact CB-CD1 4.18Å; C308-I311 HydrophobicContact CB-CG1 4.3Å; T309-I311 VanDerWaalsContact C-N 3.25Å; T309-I311 PolarHBondContact O-N 3.22Å; I311-L322 HydrophobicContact CG2-CD2 4.28Å; I311-L325 HydrophobicContact CG2-CD1 4.02Å
312	Q	88.1	Confident	80.7	Confident	76 Å²	76	59.2 Å²	59.2	36%	0.355	36%	0.355	S	S	.	.	S	Bend	trans	-130.7	148.2	177.2	-61.9	-177.3	19.9	0	0	110.8	T309 S310 G314 E317	T309-Q312 PolarHBondContact O-NE2 3.45Å; S310-Q312 VanDerWaalsContact C-N 3.35Å; S310-Q312 PolarHBondContact O-N 3.35Å; Q312-G314 PolarHBondContact O-N 3.26Å; Q312-E317 PolarHBondContact OE1-O 3.06Å
313	C	93	Very high	80.7	Confident	0 Å²	0	59 Å²	59	0%	0	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-70.5	119.8	176.3	171.3	0	0	0	0	111.2	L315 C316 E317 S318 L325 H334 H336	C313-L315 PolarHBondContact O-N 2.67Å; C313-C316 PolarHBondContact O-N 2.75Å; C313-C316 VanDerWaalsContact O-N 3.08Å; C313-C316 VanDerWaalsContact SG-SG 3.63Å; C313-E317 PolarHBondContact O-N 2.92Å; C313-S318 PolarHBondContact N-O 3.36Å; C313-L325 HydrophobicContact CB-CD2 4.13Å; C313-H334 WeakPolarHBondContact CA-O 3.5Å; C313-H336 VanDerWaalsContact CB-CE1 3.49Å; C313-H336 WeakPolarHBondContact CB-CE1 3.35Å; C313-H336 WeakPolarHBondContact CB-ND1 3.26Å; C313-H336 PolarHBondContact SG-N 3.39Å
314	G	89.2	Confident	80.9	Confident	49 Å²	49	61.1 Å²	61.1	51%	0.505	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	6.2	-179.5	0	0	0	0	0	116.8	Q312 H334	Q312-G314 PolarHBondContact O-N 3.26Å; G314-H334 PolarHBondContact N-O 2.96Å
315	L	91.7	Very high	81.6	Confident	104 Å²	104	57.1 Å²	57.1	55%	0.545	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-16.8	174.1	-67.8	172.9	0	0	0	113.8	C313 Y335 C339 L340	C313-L315 PolarHBondContact O-N 2.67Å; L315-Y335 HydrophobicContact CD1-CD1 3.85Å; L315-Y335 HydrophobicContact CD1-CE1 4.31Å; L315-Y335 HydrophobicContact CG-CD1 3.79Å; L315-Y335 HydrophobicContact CG-CE1 3.92Å; L315-C339 HydrophobicContact CB-CB 4.43Å; L315-C339 WeakPolarHBondContact CD1-O 3.23Å; L315-L340 HydrophobicContact CD1-CD2 4.02Å
316	C	92.9	Very high	82.5	Confident	40 Å²	40	52.9 Å²	52.9	27%	0.27	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.7	15.1	-177.8	70.3	0	0	0	0	114.2	C313 S318 H336	C313-C316 PolarHBondContact O-N 2.75Å; C313-C316 VanDerWaalsContact O-N 3.08Å; C313-C316 VanDerWaalsContact SG-SG 3.63Å; C316-S318 WeakPolarHBondContact O-CB 3.44Å; C316-S318 PolarHBondContact O-N 2.83Å; C316-S318 PolarHBondContact O-OG 2.89Å; C316-S318 PolarHBondContact SG-OG 3.15Å; C316-H336 PolarHBondContact SG-ND1 2.93Å
317	E	89.2	Confident	83.7	Confident	170 Å²	170	51.5 Å²	51.5	79%	0.794	30%	0.299	S	S	*	.	S	Bend	trans	47.1	38	168	-59.5	-176.8	166.2	0	0	113.9	Q312 C313	Q312-E317 PolarHBondContact OE1-O 3.06Å; C313-E317 PolarHBondContact O-N 2.92Å
318	S	85.7	Confident	85.4	Confident	43 Å²	43	45 Å²	45	30%	0.301	26%	0.264	S	S	.	.	S	Bend	trans	-151.6	152.5	-175.6	56.1	0	0	0	0	111.8	C313 C316 H336	C313-S318 PolarHBondContact N-O 3.36Å; C316-S318 WeakPolarHBondContact O-CB 3.44Å; C316-S318 PolarHBondContact O-N 2.83Å; C316-S318 PolarHBondContact O-OG 2.89Å; C316-S318 PolarHBondContact SG-OG 3.15Å; S318-H336 PolarHBondContact O-CE1 3.31Å
319	P	82.6	Confident	86.8	Confident	48 Å²	48	44.2 Å²	44.2	31%	0.312	26%	0.259	S	S	.	.			trans	-74.2	-27.2	178.8	28.3	-34.5	0	0	0	112.7	L304 L322 H336	L304-P319 HydrophobicContact CD2-CB 3.97Å; L304-P319 HydrophobicContact CD2-CG 4.12Å; P319-L322 HydrophobicContact CB-CD2 3.95Å; P319-H336 PolarHBondContact O-CE1 3.44Å; P319-H336 PolarHBondContact O-NE2 3.09Å
320	G	83.1	Confident	88	Confident	16 Å²	16	41.4 Å²	41.4	17%	0.165	25%	0.251	C	S	.	.			trans	49.7	-137.5	178.4	0	0	0	0	0	113.8	H336	G320-H336 WeakPolarHBondContact CA-NE2 3.47Å
321	D	85.7	Confident	88.9	Confident	47 Å²	47	42.2 Å²	42.2	25%	0.251	26%	0.256	S	S	.	.			trans	-81.3	109.3	163.7	-169.1	-26.4	0	0	0	109.9	T323 E324 H336 S614	D321-T323 VanDerWaalsContact CG-OG1 3.3Å; D321-T323 PolarHBondContact O-N 3.45Å; D321-T323 WeakPolarHBondContact OD1-CA 3.25Å; D321-T323 WeakPolarHBondContact OD1-CB 3.43Å; D321-T323 PolarHBondContact OD1-N 3.21Å; D321-T323 PolarHBondContact OD1-OG1 2.63Å; D321-T323 PolarHBondContact OD2-OG1 3.43Å; D321-E324 HydrophobicContact CB-CB 4.4Å; D321-E324 HydrophobicContact CB-CG 4.36Å; D321-E324 PolarHBondContact O-N 3.04Å; D321-H336 PolarHBondContact O-CD2 3.45Å; D321-H336 VanDerWaalsContact O-CD2 3.3Å; D321-H336 PolarHBondContact O-NE2 3.33Å; D321-S614 WeakPolarHBondContact CB-OG 3.48Å; D321-S614 PolarHBondContact N-OG 3.36Å; D321-S614 VanDerWaalsContact N-OG 3.08Å
322	L	86.6	Confident	89.3	Confident	12 Å²	12	41.6 Å²	41.6	6%	0.063	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-60.4	-24.9	178	-62.2	-180	0	0	0	112.8	L286 I300 A303 L304 I311 P319 E324 L325	L286-L322 HydrophobicContact CD2-CD1 4.4Å; I300-L322 HydrophobicContact CD1-CB 3.96Å; I300-L322 HydrophobicContact CG1-CB 3.85Å; I300-L322 HydrophobicContact CG1-CD1 4.25Å; I300-L322 WeakPolarHBondContact O-CD1 3.44Å; A303-L322 HydrophobicContact CB-CD1 3.94Å; L304-L322 HydrophobicContact CD1-CD1 4.43Å; L304-L322 HydrophobicContact CD2-CD1 4.01Å; L304-L322 HydrophobicContact CD2-CD2 4.44Å; L304-L322 HydrophobicContact CD2-CG 4.37Å; L304-L322 HydrophobicContact CG-CD1 3.87Å; I311-L322 HydrophobicContact CG2-CD2 4.28Å; P319-L322 HydrophobicContact CB-CD2 3.95Å; L322-E324 VanDerWaalsContact C-N 3.31Å; L322-L325 HydrophobicContact CD2-CD1 3.57Å; L322-L325 WeakPolarHBondContact O-CB 3.43Å; L322-L325 PolarHBondContact O-N 3.27Å
323	T	85.7	Confident	89.6	Confident	71 Å²	71	40.3 Å²	40.3	44%	0.436	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-74	-22.7	177.8	72.9	0	0	0	0	112.2	D321 R351	D321-T323 VanDerWaalsContact CG-OG1 3.3Å; D321-T323 PolarHBondContact O-N 3.45Å; D321-T323 WeakPolarHBondContact OD1-CA 3.25Å; D321-T323 WeakPolarHBondContact OD1-CB 3.43Å; D321-T323 PolarHBondContact OD1-N 3.21Å; D321-T323 PolarHBondContact OD1-OG1 2.63Å; D321-T323 PolarHBondContact OD2-OG1 3.43Å; T323-R351 PolarHBondContact O-NH2 3.46Å
324	E	87.7	Confident	89.6	Confident	51 Å²	51	40.5 Å²	40.5	24%	0.238	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-84.5	-9.2	173.4	-74.4	-72.8	126.5	0	0	113	D321 L322 H336 A337 P346	D321-E324 HydrophobicContact CB-CB 4.4Å; D321-E324 HydrophobicContact CB-CG 4.36Å; D321-E324 PolarHBondContact O-N 3.04Å; L322-E324 VanDerWaalsContact C-N 3.31Å; E324-H336 WeakPolarHBondContact O-CA 3.41Å; E324-A337 PolarHBondContact O-N 3.05Å; E324-P346 WeakPolarHBondContact OE1-CG 3.14Å
325	L	90.5	Very high	89.8	Confident	7 Å²	7	39.3 Å²	39.3	4%	0.037	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	133.4	178.6	-69.5	177.8	0	0	0	112.2	L286 I311 C313 L322 H334 Y335 H336 R351	L286-L325 HydrophobicContact CD1-CD1 4.33Å; I311-L325 HydrophobicContact CG2-CD1 4.02Å; C313-L325 HydrophobicContact CB-CD2 4.13Å; L322-L325 HydrophobicContact CD2-CD1 3.57Å; L322-L325 WeakPolarHBondContact O-CB 3.43Å; L322-L325 PolarHBondContact O-N 3.27Å; L325-H334 HydrophobicContact CB-CB 4.43Å; L325-H334 HydrophobicContact CD1-CB 4.21Å; L325-H334 HydrophobicContact CD2-CB 3.97Å; L325-H334 HydrophobicContact CG-CB 4.45Å; L325-Y335 CarbonylContact C-O 3.55Å; L325-Y335 WeakPolarHBondContact CA-O 3.19Å; L325-H336 WeakPolarHBondContact CD2-CD2 3.11Å; L325-H336 WeakPolarHBondContact CD2-NE2 3.47Å; L325-R351 PolarHBondContact O-NH1 3.01Å
326	L	92.6	Very high	90	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.8	167.6	-58.2	178.4	0	0	0	109	H334 Y335 A337 L340 L344 P346 I350 R351 W354	L326-H334 CarbonylContact O-C 3.59Å; L326-H334 VanDerWaalsContact O-CA 3.3Å; L326-H334 WeakPolarHBondContact O-CA 3.29Å; L326-Y335 PolarHBondContact N-O 2.78Å; L326-Y335 PolarHBondContact O-N 2.77Å; L326-A337 HydrophobicContact CD1-CB 4.06Å; L326-A337 HydrophobicContact CG-CB 4.22Å; L326-L340 HydrophobicContact CD1-CD1 3.86Å; L326-L344 HydrophobicContact CD1-CD1 4.08Å; L326-P346 HydrophobicContact CD2-CB 4.09Å; L326-I350 HydrophobicContact CD1-CG2 4.05Å; L326-I350 HydrophobicContact CD2-CG2 4.47Å; L326-R351 HydrophobicContact CD2-CG 3.73Å; L326-W354 HydrophobicContact CB-CD2 3.86Å; L326-W354 HydrophobicContact CB-CE3 3.58Å; L326-W354 HydrophobicContact CB-CG 4.48Å; L326-W354 HydrophobicContact CB-CH2 4.4Å; L326-W354 HydrophobicContact CB-CZ3 3.87Å; L326-W354 HydrophobicContact CD1-CD2 4.08Å; L326-W354 HydrophobicContact CD1-CG 4.4Å; L326-W354 HydrophobicContact CD1-CZ2 4.33Å
327	F	93.3	Very high	89.9	Confident	22 Å²	22	32.5 Å²	32.5	10%	0.096	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.1	177.2	170	-102.1	0	0	0	110.2	W227 F277 Q287 I289 T329 G332 H334	W227-F327 HydrophobicContact CH2-CE2 4.25Å; W227-F327 HydrophobicContact CH2-CZ 4Å; W227-F327 HydrophobicContact CZ2-CE1 4.46Å; W227-F327 HydrophobicContact CZ2-CE2 4.32Å; W227-F327 AromaticContact CZ2-CZ 3.69Å; W227-F327 HydrophobicContact CZ2-CZ 3.69Å; F277-F327 HydrophobicContact CZ-CE1 4.42Å; Q287-F327 HydrophobicContact CB-CD1 4.38Å; Q287-F327 HydrophobicContact CB-CD2 4.11Å; Q287-F327 HydrophobicContact CB-CE1 4.49Å; Q287-F327 HydrophobicContact CB-CE2 4.22Å; Q287-F327 HydrophobicContact CB-CG 4.18Å; Q287-F327 HydrophobicContact CB-CZ 4.42Å; Q287-F327 WeakPolarHBondContact O-CD2 3.31Å; I289-F327 HydrophobicContact CB-CE2 4.32Å; F327-T329 HydrophobicContact CD1-CG2 4.14Å; F327-T329 HydrophobicContact CE1-CG2 4.17Å; F327-T329 PolarHBondContact O-N 3.3Å; F327-G332 WeakPolarHBondContact CD2-O 3.35Å; F327-G332 WeakPolarHBondContact CE2-O 3.34Å; F327-H334 AromaticContact CD2-NE2 3.76Å
328	C	94.6	Very high	90	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.17	C	C	.	.			trans	-79	115.3	177.1	179.5	0	0	0	0	110.9	G330 G332 S333 W354 C356	C328-G330 PolarHBondContact O-N 3.32Å; C328-G332 WeakPolarHBondContact O-CA 3.47Å; C328-G332 PolarHBondContact O-N 3.01Å; C328-S333 WeakPolarHBondContact CB-O 3.42Å; C328-S333 PolarHBondContact N-O 3.29Å; C328-S333 VanDerWaalsContact N-O 3.11Å; C328-W354 HydrophobicContact CB-CE3 4.24Å; C328-W354 HydrophobicContact CB-CZ3 3.93Å; C328-C356 HydrophobicContact CB-CB 4.29Å; C328-C356 PolarHBondContact SG-N 3.37Å
329	T	91.2	Very high	90.4	Very high	25 Å²	25	25.2 Å²	25.2	15%	0.153	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	20	178.3	70.8	0	0	0	0	114.1	G65 F277 F327 W354	G65-T329 VanDerWaalsContact CA-OG1 3.3Å; G65-T329 WeakPolarHBondContact CA-OG1 3.17Å; F277-T329 HydrophobicContact CE1-CG2 4.34Å; F277-T329 HydrophobicContact CZ-CG2 4.32Å; F327-T329 HydrophobicContact CD1-CG2 4.14Å; F327-T329 HydrophobicContact CE1-CG2 4.17Å; F327-T329 PolarHBondContact O-N 3.3Å; T329-W354 PolarHBondContact N-O 3.5Å; T329-W354 PolarHBondContact OG1-O 2.78Å
330	G	89	Confident	90.8	Very high	48 Å²	48	24 Å²	24	50%	0.495	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-58.3	176.8	0	0	0	0	0	112	C328	C328-G330 PolarHBondContact O-N 3.32Å
331	C	92.3	Very high	90.9	Very high	43 Å²	43	30.7 Å²	30.7	29%	0.291	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-5.9	177.6	60.7	0	0	0	0	114.5	S333 C359	C331-S333 PolarHBondContact O-N 2.8Å; C331-S333 VanDerWaalsContact O-N 3.11Å; C331-S333 PolarHBondContact SG-OG 2.92Å; C331-C359 PolarHBondContact N-SG 2.8Å
332	G	91.1	Very high	91	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.01	20%	0.199	C	C	.	.			trans	73.9	-14.6	-175.8	0	0	0	0	0	116	F327 C328	F327-G332 WeakPolarHBondContact CD2-O 3.35Å; F327-G332 WeakPolarHBondContact CE2-O 3.34Å; C328-G332 WeakPolarHBondContact O-CA 3.47Å; C328-G332 PolarHBondContact O-N 3.01Å
333	S	92.9	Very high	91.1	Very high	49 Å²	49	36.4 Å²	36.4	34%	0.343	22%	0.221	S	C	.	.			trans	-64.2	146.6	-178.1	-36.7	0	0	0	0	112.8	C328 C331	C328-S333 WeakPolarHBondContact CB-O 3.42Å; C328-S333 PolarHBondContact N-O 3.29Å; C328-S333 VanDerWaalsContact N-O 3.11Å; C331-S333 PolarHBondContact O-N 2.8Å; C331-S333 VanDerWaalsContact O-N 3.11Å; C331-S333 PolarHBondContact SG-OG 2.92Å
334	H	93.6	Very high	91.2	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.014	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	151.9	179.8	-45.3	86.7	0	0	0	112.7	Q287 C313 G314 L325 L326 F327	Q287-H334 PolarHBondContact O-NE2 2.9Å; C313-H334 WeakPolarHBondContact CA-O 3.5Å; G314-H334 PolarHBondContact N-O 2.96Å; L325-H334 HydrophobicContact CB-CB 4.43Å; L325-H334 HydrophobicContact CD1-CB 4.21Å; L325-H334 HydrophobicContact CD2-CB 3.97Å; L325-H334 HydrophobicContact CG-CB 4.45Å; L326-H334 CarbonylContact O-C 3.59Å; L326-H334 VanDerWaalsContact O-CA 3.3Å; L326-H334 WeakPolarHBondContact O-CA 3.29Å; F327-H334 AromaticContact CD2-NE2 3.76Å
335	Y	94.8	Very high	90.9	Very high	24 Å²	24	38.1 Å²	38.1	9%	0.094	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	129.9	178.3	-64.1	-99.5	0	0	0	110.3	L315 L325 L326 A337 L340 W354 C356	L315-Y335 HydrophobicContact CD1-CD1 3.85Å; L315-Y335 HydrophobicContact CD1-CE1 4.31Å; L315-Y335 HydrophobicContact CG-CD1 3.79Å; L315-Y335 HydrophobicContact CG-CE1 3.92Å; L325-Y335 CarbonylContact C-O 3.55Å; L325-Y335 WeakPolarHBondContact CA-O 3.19Å; L326-Y335 PolarHBondContact N-O 2.78Å; L326-Y335 PolarHBondContact O-N 2.77Å; Y335-A337 PolarHBondContact O-N 3.32Å; Y335-L340 HydrophobicContact CD1-CD2 4.1Å; Y335-L340 HydrophobicContact CG-CD2 4.28Å; Y335-W354 AromaticContact CD2-CH2 3.57Å; Y335-W354 HydrophobicContact CD2-CH2 3.57Å; Y335-W354 AromaticContact CD2-CZ3 3.64Å; Y335-W354 HydrophobicContact CD2-CZ3 3.64Å; Y335-W354 HydrophobicContact CE2-CH2 4.33Å; Y335-W354 HydrophobicContact CE2-CZ3 4.41Å; Y335-W354 AromaticContact CG-CH2 3.81Å; Y335-W354 HydrophobicContact CG-CH2 3.81Å; Y335-W354 HydrophobicContact CG-CZ3 4.24Å; Y335-C356 HydrophobicContact CD2-CB 4.21Å; Y335-C356 HydrophobicContact CE2-CB 3.59Å
336	H	94.2	Very high	90.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	133.2	169.9	-61.8	112.1	0	0	0	109.8	C313 C316 S318 P319 G320 D321 E324 L325 S338 C339 L340	C313-H336 VanDerWaalsContact CB-CE1 3.49Å; C313-H336 WeakPolarHBondContact CB-CE1 3.35Å; C313-H336 WeakPolarHBondContact CB-ND1 3.26Å; C313-H336 PolarHBondContact SG-N 3.39Å; C316-H336 PolarHBondContact SG-ND1 2.93Å; S318-H336 PolarHBondContact O-CE1 3.31Å; P319-H336 PolarHBondContact O-CE1 3.44Å; P319-H336 PolarHBondContact O-NE2 3.09Å; G320-H336 WeakPolarHBondContact CA-NE2 3.47Å; D321-H336 PolarHBondContact O-CD2 3.45Å; D321-H336 VanDerWaalsContact O-CD2 3.3Å; D321-H336 PolarHBondContact O-NE2 3.33Å; E324-H336 WeakPolarHBondContact O-CA 3.41Å; L325-H336 WeakPolarHBondContact CD2-CD2 3.11Å; L325-H336 WeakPolarHBondContact CD2-NE2 3.47Å; H336-S338 PolarHBondContact O-N 2.88Å; H336-S338 VanDerWaalsContact O-N 3.14Å; H336-C339 HydrophobicContact CB-CB 4.1Å; H336-C339 PolarHBondContact O-N 2.98Å; H336-L340 PolarHBondContact O-N 3.48Å
337	A	91.5	Very high	89.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.2	176.7	0	0	0	0	0	112.6	E324 L326 Y335 P343 L344 P346	E324-A337 PolarHBondContact O-N 3.05Å; L326-A337 HydrophobicContact CD1-CB 4.06Å; L326-A337 HydrophobicContact CG-CB 4.22Å; Y335-A337 PolarHBondContact O-N 3.32Å; A337-P343 WeakPolarHBondContact O-CA 3.42Å; A337-L344 HydrophobicContact CB-CB 4.22Å; A337-L344 WeakPolarHBondContact CB-O 3.31Å; A337-L344 PolarHBondContact O-N 2.88Å; A337-P346 HydrophobicContact CB-CB 4.02Å; A337-P346 HydrophobicContact CB-CG 3.92Å
338	S	91.5	Very high	89.2	Confident	36 Å²	36	39.2 Å²	39.2	25%	0.252	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-22.7	173.1	63.3	0	0	0	0	115.4	H336	H336-S338 PolarHBondContact O-N 2.88Å; H336-S338 VanDerWaalsContact O-N 3.14Å
339	C	93.3	Very high	88.4	Confident	24 Å²	24	39.2 Å²	39.2	16%	0.162	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-14.3	-177.9	-69.2	0	0	0	0	113.3	L315 H336	L315-C339 HydrophobicContact CB-CB 4.43Å; L315-C339 WeakPolarHBondContact CD1-O 3.23Å; H336-C339 HydrophobicContact CB-CB 4.1Å; H336-C339 PolarHBondContact O-N 2.98Å
340	L	90.9	Very high	88.2	Confident	24 Å²	24	38.4 Å²	38.4	13%	0.126	23%	0.23	C	C	.	.	S	Bend	trans	-70.2	152.3	170.3	-63.6	171.5	0	0	0	110.8	L315 L326 Y335 H336 P342 P343 L344 W354	L315-L340 HydrophobicContact CD1-CD2 4.02Å; L326-L340 HydrophobicContact CD1-CD1 3.86Å; Y335-L340 HydrophobicContact CD1-CD2 4.1Å; Y335-L340 HydrophobicContact CG-CD2 4.28Å; H336-L340 PolarHBondContact O-N 3.48Å; L340-P342 CarbonylContact O-C 3.41Å; L340-P342 VanDerWaalsContact O-C 3.25Å; L340-P343 VanDerWaalsContact O-CA 3.26Å; L340-P343 WeakPolarHBondContact O-CA 3.23Å; L340-P343 WeakPolarHBondContact O-CD 3.3Å; L340-P343 WeakPolarHBondContact O-CG 3.24Å; L340-L344 HydrophobicContact CD1-CD1 3.65Å; L340-L344 HydrophobicContact CD1-CG 4.09Å; L340-W354 HydrophobicContact CD1-CH2 4.13Å; L340-W354 HydrophobicContact CD1-CZ2 3.53Å; L340-W354 HydrophobicContact CD2-CH2 4.25Å; L340-W354 HydrophobicContact CD2-CZ2 4.1Å; L340-W354 HydrophobicContact CG-CZ2 4.49Å
341	E	86.8	Confident	88.2	Confident	155 Å²	155	38 Å²	38	72%	0.724	21%	0.213	S	C	*	.	S	Bend	trans	-121.8	117	173.6	-173.8	152.5	-169	0	0	110.9	N618	E341-N618 PolarHBondContact OE2-ND2 3.23Å
342	P	86.1	Confident	87.9	Confident	99 Å²	99	36.2 Å²	36.2	64%	0.643	20%	0.201	S	C	*	.	S	Bend	cis	-69.5	149.2	-3.7	31.3	-36.1	0	0	0	112.8	L340 L344	L340-P342 CarbonylContact O-C 3.41Å; L340-P342 VanDerWaalsContact O-C 3.25Å; P342-L344 PolarHBondContact O-N 2.87Å
343	P	88.8	Confident	87.7	Confident	81 Å²	81	36.5 Å²	36.5	53%	0.526	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-58.2	136.8	176.6	-28	36.1	0	0	0	113	A337 L340	A337-P343 WeakPolarHBondContact O-CA 3.42Å; L340-P343 VanDerWaalsContact O-CA 3.26Å; L340-P343 WeakPolarHBondContact O-CA 3.23Å; L340-P343 WeakPolarHBondContact O-CD 3.3Å; L340-P343 WeakPolarHBondContact O-CG 3.24Å
344	L	87.8	Confident	87.7	Confident	24 Å²	24	34.3 Å²	34.3	13%	0.126	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-101.3	148.2	-174.5	-61.2	-173.4	0	0	0	112.1	L326 A337 L340 P342 P346 I350 D381	L326-L344 HydrophobicContact CD1-CD1 4.08Å; A337-L344 HydrophobicContact CB-CB 4.22Å; A337-L344 WeakPolarHBondContact CB-O 3.31Å; A337-L344 PolarHBondContact O-N 2.88Å; L340-L344 HydrophobicContact CD1-CD1 3.65Å; L340-L344 HydrophobicContact CD1-CG 4.09Å; P342-L344 PolarHBondContact O-N 2.87Å; L344-P346 VanDerWaalsContact O-CD 3.31Å; L344-P346 WeakPolarHBondContact O-CD 3.14Å; L344-I350 HydrophobicContact CB-CD1 3.94Å; L344-I350 HydrophobicContact CD1-CD1 4.34Å; L344-I350 HydrophobicContact CD1-CG2 4.03Å; L344-I350 HydrophobicContact CD2-CD1 4.38Å; L344-I350 HydrophobicContact CG-CD1 4.46Å; L344-D381 HydrophobicContact CD1-CB 3.95Å
345	Q	82	Confident	87.7	Confident	133 Å²	133	35.7 Å²	35.7	62%	0.621	20%	0.195	S	C	*	.			trans	-76.6	94.2	164.5	57.1	-178.6	-110.9	0	0	113.7	S347 I350	Q345-S347 PolarHBondContact O-N 3.08Å; Q345-S347 PolarHBondContact O-OG 3.33Å; Q345-S347 VanDerWaalsContact O-OG 3.05Å; Q345-I350 WeakPolarHBondContact O-CD1 3.39Å
346	P	83.7	Confident	87.6	Confident	22 Å²	22	34.7 Å²	34.7	14%	0.143	19%	0.191	C	C	.	.			trans	-64.3	116	-176.1	26.2	-29.7	0	0	0	110.2	E324 L326 A337 L344	E324-P346 WeakPolarHBondContact OE1-CG 3.14Å; L326-P346 HydrophobicContact CD2-CB 4.09Å; A337-P346 HydrophobicContact CB-CB 4.02Å; A337-P346 HydrophobicContact CB-CG 3.92Å; L344-P346 VanDerWaalsContact O-CD 3.31Å; L344-P346 WeakPolarHBondContact O-CD 3.14Å
347	S	78.4	Confident	87.5	Confident	19 Å²	19	39 Å²	39	13%	0.133	23%	0.227	C	C	.	.			trans	-150.7	157.6	-172.3	55.9	0	0	0	0	107.9	Q345 T349 I350 R351	Q345-S347 PolarHBondContact O-N 3.08Å; Q345-S347 PolarHBondContact O-OG 3.33Å; Q345-S347 VanDerWaalsContact O-OG 3.05Å; S347-T349 PolarHBondContact O-N 3.34Å; S347-T349 VanDerWaalsContact O-N 3.11Å; S347-I350 PolarHBondContact O-N 2.83Å; S347-R351 WeakPolarHBondContact O-CG 3.45Å; S347-R351 PolarHBondContact O-N 3.04Å
348	P	78.2	Confident	87.4	Confident	12 Å²	12	46.8 Å²	46.8	8%	0.078	26%	0.263	C	S	.	.	H	α-helix	trans	-54.3	-37.7	-178.8	-25	33	0	0	0	112.2	A169 G282 I350 R351 I352	A169-P348 HydrophobicContact CB-CG 3.79Å; G282-P348 WeakPolarHBondContact O-CB 3.46Å; G282-P348 WeakPolarHBondContact O-CG 3.34Å; P348-I350 VanDerWaalsContact C-N 3.28Å; P348-I350 PolarHBondContact O-N 3.49Å; P348-R351 PolarHBondContact O-N 2.59Å; P348-I352 HydrophobicContact CB-CD1 4.19Å; P348-I352 WeakPolarHBondContact O-CD1 3.11Å; P348-I352 WeakPolarHBondContact O-CG1 3.37Å; P348-I352 PolarHBondContact O-N 3.36Å; P348-I352 VanDerWaalsContact O-N 3.07Å
349	T	77.6	Confident	87.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.2	-24.4	177.5	-72.7	0	0	0	0	114.5	F178 L180 V181 S347 V379 C380	F178-T349 HydrophobicContact CB-CG2 4.34Å; F178-T349 WeakPolarHBondContact CB-OG1 3.05Å; L180-T349 HydrophobicContact CB-CG2 4.21Å; L180-T349 HydrophobicContact CD1-CG2 4.35Å; L180-T349 WeakPolarHBondContact CD1-O 3.37Å; L180-T349 HydrophobicContact CG-CG2 4.35Å; V181-T349 WeakPolarHBondContact CG2-OG1 3.47Å; S347-T349 PolarHBondContact O-N 3.34Å; S347-T349 VanDerWaalsContact O-N 3.11Å; T349-V379 HydrophobicContact CG2-CG1 4.43Å; T349-C380 HydrophobicContact CG2-CB 3.77Å; T349-C380 VanDerWaalsContact O-CB 3.29Å; T349-C380 WeakPolarHBondContact O-CB 3.38Å
350	I	87.2	Confident	87.4	Confident	9 Å²	9	46.6 Å²	46.6	5%	0.046	26%	0.259	C	S	.	.	H	α-helix	trans	-86.9	-52.4	168.4	-64	-169.2	0	0	0	110	L326 L344 Q345 S347 P348 I352 W354 V379 D381	L326-I350 HydrophobicContact CD1-CG2 4.05Å; L326-I350 HydrophobicContact CD2-CG2 4.47Å; L344-I350 HydrophobicContact CB-CD1 3.94Å; L344-I350 HydrophobicContact CD1-CD1 4.34Å; L344-I350 HydrophobicContact CD1-CG2 4.03Å; L344-I350 HydrophobicContact CD2-CD1 4.38Å; L344-I350 HydrophobicContact CG-CD1 4.46Å; Q345-I350 WeakPolarHBondContact O-CD1 3.39Å; S347-I350 PolarHBondContact O-N 2.83Å; P348-I350 VanDerWaalsContact C-N 3.28Å; P348-I350 PolarHBondContact O-N 3.49Å; I350-I352 PolarHBondContact O-N 2.87Å; I350-W354 HydrophobicContact CG2-CG 4.43Å; I350-W354 WeakPolarHBondContact O-CB 3.18Å; I350-V379 WeakPolarHBondContact CG1-O 3.44Å; I350-D381 HydrophobicContact CG2-CB 4.38Å
351	R	90	Very high	87.5	Confident	38 Å²	38	47.1 Å²	47.1	14%	0.143	26%	0.263	C	S	.	.	H	α-helix	trans	-57.9	-41.9	-170.2	-66.2	-179.8	-176.7	-80.1	1.8	114.7	A281 T323 L325 L326 S347 P348 G353 W354	A281-R351 WeakPolarHBondContact O-CB 3.28Å; A281-R351 WeakPolarHBondContact O-CD 3.03Å; T323-R351 PolarHBondContact O-NH2 3.46Å; L325-R351 PolarHBondContact O-NH1 3.01Å; L326-R351 HydrophobicContact CD2-CG 3.73Å; S347-R351 WeakPolarHBondContact O-CG 3.45Å; S347-R351 PolarHBondContact O-N 3.04Å; P348-R351 PolarHBondContact O-N 2.59Å; R351-G353 PolarHBondContact O-N 3.47Å; R351-W354 PolarHBondContact O-N 2.94Å; R351-W354 VanDerWaalsContact O-N 3.16Å
352	I	85.8	Confident	87.7	Confident	6 Å²	6	39.8 Å²	39.8	3%	0.031	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	108.5	-174.3	-61.1	156.4	0	0	0	109.3	L64 L184 L278 P348 I350 K382	L64-I352 HydrophobicContact CB-CG2 4.48Å; L64-I352 HydrophobicContact CD1-CG2 4.18Å; L184-I352 HydrophobicContact CD1-CD1 3.65Å; L184-I352 HydrophobicContact CD2-CD1 3.9Å; L184-I352 HydrophobicContact CD2-CG1 4.39Å; L184-I352 HydrophobicContact CG-CD1 3.69Å; L278-I352 HydrophobicContact CB-CG2 4.18Å; L278-I352 HydrophobicContact CD1-CG2 4.4Å; L278-I352 HydrophobicContact CD2-CG2 4Å; L278-I352 HydrophobicContact CG-CG2 4.43Å; P348-I352 HydrophobicContact CB-CD1 4.19Å; P348-I352 WeakPolarHBondContact O-CD1 3.11Å; P348-I352 WeakPolarHBondContact O-CG1 3.37Å; P348-I352 PolarHBondContact O-N 3.36Å; P348-I352 VanDerWaalsContact O-N 3.07Å; I350-I352 PolarHBondContact O-N 2.87Å; I352-K382 VanDerWaalsContact O-CE 3.25Å; I352-K382 WeakPolarHBondContact O-CE 3.34Å; I352-K382 PolarHBondContact O-NZ 2.82Å
353	G	87.3	Confident	87.7	Confident	7 Å²	7	36.5 Å²	36.5	7%	0.072	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	43.8	-176.1	0	0	0	0	0	113.1	L64 R351 K382	L64-G353 WeakPolarHBondContact O-CA 3.23Å; R351-G353 PolarHBondContact O-N 3.47Å; G353-K382 VanDerWaalsContact C-NZ 3.33Å; G353-K382 PolarHBondContact O-NZ 3.33Å
354	W	92.7	Very high	87.5	Confident	3 Å²	3	36.5 Å²	36.5	1%	0.011	20%	0.2	C	C	.	.			trans	-74.8	147.5	172.3	-173.9	71.2	0	0	0	111.4	L326 C328 T329 Y335 L340 I350 R351 C356 D381	L326-W354 HydrophobicContact CB-CD2 3.86Å; L326-W354 HydrophobicContact CB-CE3 3.58Å; L326-W354 HydrophobicContact CB-CG 4.48Å; L326-W354 HydrophobicContact CB-CH2 4.4Å; L326-W354 HydrophobicContact CB-CZ3 3.87Å; L326-W354 HydrophobicContact CD1-CD2 4.08Å; L326-W354 HydrophobicContact CD1-CG 4.4Å; L326-W354 HydrophobicContact CD1-CZ2 4.33Å; C328-W354 HydrophobicContact CB-CE3 4.24Å; C328-W354 HydrophobicContact CB-CZ3 3.93Å; T329-W354 PolarHBondContact N-O 3.5Å; T329-W354 PolarHBondContact OG1-O 2.78Å; Y335-W354 AromaticContact CD2-CH2 3.57Å; Y335-W354 HydrophobicContact CD2-CH2 3.57Å; Y335-W354 AromaticContact CD2-CZ3 3.64Å; Y335-W354 HydrophobicContact CD2-CZ3 3.64Å; Y335-W354 HydrophobicContact CE2-CH2 4.33Å; Y335-W354 HydrophobicContact CE2-CZ3 4.41Å; Y335-W354 AromaticContact CG-CH2 3.81Å; Y335-W354 HydrophobicContact CG-CH2 3.81Å; Y335-W354 HydrophobicContact CG-CZ3 4.24Å; L340-W354 HydrophobicContact CD1-CH2 4.13Å; L340-W354 HydrophobicContact CD1-CZ2 3.53Å; L340-W354 HydrophobicContact CD2-CH2 4.25Å; L340-W354 HydrophobicContact CD2-CZ2 4.1Å; L340-W354 HydrophobicContact CG-CZ2 4.49Å; I350-W354 HydrophobicContact CG2-CG 4.43Å; I350-W354 WeakPolarHBondContact O-CB 3.18Å; R351-W354 PolarHBondContact O-N 2.94Å; R351-W354 VanDerWaalsContact O-N 3.16Å; W354-C356 HydrophobicContact CH2-CB 3.89Å; W354-C356 HydrophobicContact CZ3-CB 4.32Å; W354-D381 PolarHBondContact NE1-OD2 3.29Å
355	Q	93.5	Very high	87.5	Confident	33 Å²	33	37.7 Å²	37.7	15%	0.154	21%	0.21	C	C	.	.			trans	-135.9	136.1	178.4	-71.9	170.1	-30.9	0	0	108.7	C359 K360 T361	Q355-C359 HydrophobicContact CB-CB 4.47Å; Q355-C359 PolarHBondContact NE2-O 3.29Å; Q355-C359 PolarHBondContact OE1-O 2.98Å; Q355-K360 HydrophobicContact CB-CD 3.78Å; Q355-K360 PolarHBondContact O-NZ 3.05Å; Q355-T361 PolarHBondContact NE2-OG1 3.1Å
356	C	93.5	Very high	87.7	Confident	2 Å²	2	35 Å²	35	1%	0.014	20%	0.2	C	C	.	.			trans	-62.6	176.1	168.7	70.2	0	0	0	0	111.4	C328 Y335 W354 E358 C359 K360	C328-C356 HydrophobicContact CB-CB 4.29Å; C328-C356 PolarHBondContact SG-N 3.37Å; Y335-C356 HydrophobicContact CD2-CB 4.21Å; Y335-C356 HydrophobicContact CE2-CB 3.59Å; W354-C356 HydrophobicContact CH2-CB 3.89Å; W354-C356 HydrophobicContact CZ3-CB 4.32Å; C356-E358 VanDerWaalsContact C-N 3.32Å; C356-E358 PolarHBondContact O-N 3.38Å; C356-C359 PolarHBondContact SG-N 2.88Å; C356-C359 VanDerWaalsContact SG-SG 3.67Å; C356-K360 PolarHBondContact O-N 2.87Å
357	A	90.3	Very high	87.9	Confident	92 Å²	92	37.7 Å²	37.7	76%	0.76	21%	0.211	S	C	*	.	S	Bend	trans	-60.2	-39.5	-179.6	0	0	0	0	0	113	K360	A357-K360 WeakPolarHBondContact O-CB 3.35Å
358	E	90.6	Very high	88.3	Confident	164 Å²	164	39.7 Å²	39.7	77%	0.766	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-36.8	-176	-58.3	177.3	165.9	0	0	112.7	C356 K360	C356-E358 VanDerWaalsContact C-N 3.32Å; C356-E358 PolarHBondContact O-N 3.38Å; E358-K360 VanDerWaalsContact C-N 3.28Å; E358-K360 PolarHBondContact O-N 3.06Å
359	C	93.1	Very high	88.7	Confident	30 Å²	30	45 Å²	45	20%	0.203	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	13.9	178.6	-59.2	0	0	0	0	113.6	C331 Q355 C356 T361	C331-C359 PolarHBondContact N-SG 2.8Å; Q355-C359 HydrophobicContact CB-CB 4.47Å; Q355-C359 PolarHBondContact NE2-O 3.29Å; Q355-C359 PolarHBondContact OE1-O 2.98Å; C356-C359 PolarHBondContact SG-N 2.88Å; C356-C359 VanDerWaalsContact SG-SG 3.67Å; C359-T361 PolarHBondContact O-N 3.28Å
360	K	92.1	Very high	89.1	Confident	26 Å²	26	48.3 Å²	48.3	11%	0.113	26%	0.264	C	S	.	.			trans	-76.6	111.6	-168.3	-152.1	55.2	150.5	-102.8	0	111.5	Q355 C356 A357 E358 M374 D381	Q355-K360 HydrophobicContact CB-CD 3.78Å; Q355-K360 PolarHBondContact O-NZ 3.05Å; C356-K360 PolarHBondContact O-N 2.87Å; A357-K360 WeakPolarHBondContact O-CB 3.35Å; E358-K360 VanDerWaalsContact C-N 3.28Å; E358-K360 PolarHBondContact O-N 3.06Å; K360-M374 HydrophobicContact CG-SD 4.29Å; K360-D381 WeakPolarHBondContact CE-O 3.45Å; K360-D381 PolarHBondContact NZ-O 3.33Å; K360-D381 IonicContact NZ-OD1 3.35Å; K360-D381 IonicContact NZ-OD2 3.3Å; K360-D381 PolarHBondContact NZ-OD2 2.85Å
361	T	91.7	Very high	89.1	Confident	35 Å²	35	54.4 Å²	54.4	22%	0.215	29%	0.292	C	S	.	.			trans	-111.9	158.5	177.8	61.6	0	0	0	0	112.5	Q355 C359 L363 N366	Q355-T361 PolarHBondContact NE2-OG1 3.1Å; C359-T361 PolarHBondContact O-N 3.28Å; T361-L363 PolarHBondContact O-N 2.88Å; T361-N366 WeakPolarHBondContact CB-O 3.33Å; T361-N366 WeakPolarHBondContact CG2-O 3.4Å
362	C	91.4	Very high	89	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-76	117.7	175	171.6	0	0	0	0	110.9	I364 C365 N366 E367 M374 G383 H385	C362-I364 PolarHBondContact O-N 3.38Å; C362-C365 PolarHBondContact O-N 2.73Å; C362-C365 VanDerWaalsContact SG-SG 3.66Å; C362-N366 VanDerWaalsContact O-CA 3.29Å; C362-N366 WeakPolarHBondContact O-CA 3.46Å; C362-N366 PolarHBondContact O-N 3.15Å; C362-E367 PolarHBondContact N-O 3.48Å; C362-M374 HydrophobicContact CB-CE 4.3Å; C362-G383 WeakPolarHBondContact CA-O 3.42Å; C362-H385 WeakPolarHBondContact CB-CE1 3.45Å; C362-H385 WeakPolarHBondContact CB-ND1 3.33Å; C362-H385 PolarHBondContact SG-N 3.45Å; C362-H385 PolarHBondContact SG-ND1 3.3Å
363	L	85.4	Confident	89	Confident	30 Å²	30	60.8 Å²	60.8	16%	0.157	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	14.8	-177.5	-161	72.2	0	0	0	115.4	L64 T361 K382 G383 Y384	L64-L363 HydrophobicContact CD2-CD1 4.15Å; T361-L363 PolarHBondContact O-N 2.88Å; L363-K382 HydrophobicContact CD1-CD 4.24Å; L363-K382 HydrophobicContact CD2-CB 4.25Å; L363-K382 HydrophobicContact CD2-CD 3.57Å; L363-G383 PolarHBondContact N-O 2.73Å; L363-Y384 HydrophobicContact CB-CD1 4.27Å; L363-Y384 HydrophobicContact CB-CE1 3.83Å; L363-Y384 HydrophobicContact CD2-CE1 3.97Å; L363-Y384 WeakPolarHBondContact CD2-OH 3.42Å; L363-Y384 HydrophobicContact CG-CE1 4.5Å
364	I	84.5	Confident	89.1	Confident	81 Å²	81	61.7 Å²	61.7	42%	0.415	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-28.1	-179.7	-62.3	176.4	0	0	0	111.8	C362 Y384 C388 L389	C362-I364 PolarHBondContact O-N 3.38Å; I364-Y384 HydrophobicContact CD1-CD1 3.84Å; I364-Y384 HydrophobicContact CD1-CE1 4.47Å; I364-Y384 HydrophobicContact CG1-CD1 4.05Å; I364-Y384 HydrophobicContact CG1-CE1 4.46Å; I364-C388 HydrophobicContact CB-CB 3.91Å; I364-C388 HydrophobicContact CD1-CB 4.13Å; I364-C388 WeakPolarHBondContact CD1-O 3.07Å; I364-C388 HydrophobicContact CG2-CB 3.86Å; I364-L389 HydrophobicContact CD1-CD2 4.38Å
365	C	88	Confident	88.9	Confident	49 Å²	49	61.9 Å²	61.9	33%	0.331	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-4	175.9	61.3	0	0	0	0	113.9	C362 E367 H385	C362-C365 PolarHBondContact O-N 2.73Å; C362-C365 VanDerWaalsContact SG-SG 3.66Å; C365-E367 HydrophobicContact CB-CG 4.32Å; C365-E367 PolarHBondContact O-N 2.78Å; C365-E367 VanDerWaalsContact O-N 3.15Å; C365-H385 PolarHBondContact SG-ND1 3.04Å; C365-H385 VanDerWaalsContact SG-ND1 3.41Å
366	N	86.7	Confident	88.8	Confident	77 Å²	77	63.2 Å²	63.2	41%	0.412	34%	0.339	S	S	.	.			trans	60.2	9.5	-174.6	-57.5	-16.5	0	0	0	115.6	T361 C362	T361-N366 WeakPolarHBondContact CB-O 3.33Å; T361-N366 WeakPolarHBondContact CG2-O 3.4Å; C362-N366 VanDerWaalsContact O-CA 3.29Å; C362-N366 WeakPolarHBondContact O-CA 3.46Å; C362-N366 PolarHBondContact O-N 3.15Å
367	E	87.4	Confident	88.6	Confident	79 Å²	79	63.2 Å²	63.2	37%	0.369	34%	0.339	S	S	.	.			trans	-91.7	147.4	178.9	-50.4	-164.6	145.2	0	0	112.9	C362 C365 K369 H385	C362-E367 PolarHBondContact N-O 3.48Å; C365-E367 HydrophobicContact CB-CG 4.32Å; C365-E367 PolarHBondContact O-N 2.78Å; C365-E367 VanDerWaalsContact O-N 3.15Å; E367-K369 HydrophobicContact CB-CG 4.39Å; E367-K369 IonicContact OE1-NZ 2.79Å; E367-K369 PolarHBondContact OE1-NZ 3.07Å; E367-K369 VanDerWaalsContact OE2-CD 3.27Å; E367-K369 WeakPolarHBondContact OE2-CD 3.4Å; E367-K369 VanDerWaalsContact OE2-CE 3.28Å; E367-K369 WeakPolarHBondContact OE2-CE 3.31Å; E367-K369 IonicContact OE2-NZ 2.77Å; E367-K369 PolarHBondContact OE2-NZ 2.9Å; E367-H385 PolarHBondContact O-CE1 2.96Å
368	S	88.6	Confident	88.3	Confident	60 Å²	60	62.5 Å²	62.5	42%	0.42	32%	0.323	S	S	.	.			trans	-91.5	-11.2	171.1	50.2	0	0	0	0	114.3	E371	S368-E371 WeakPolarHBondContact O-CG 3.24Å
369	K	86.4	Confident	87.8	Confident	124 Å²	124	56.2 Å²	56.2	54%	0.539	30%	0.295	S	S	.	.			trans	-50.7	158.3	-178.3	-57	179.4	-160.4	149	0	112	E367 E371 H385	E367-K369 HydrophobicContact CB-CG 4.39Å; E367-K369 IonicContact OE1-NZ 2.79Å; E367-K369 PolarHBondContact OE1-NZ 3.07Å; E367-K369 VanDerWaalsContact OE2-CD 3.27Å; E367-K369 WeakPolarHBondContact OE2-CD 3.4Å; E367-K369 VanDerWaalsContact OE2-CE 3.28Å; E367-K369 WeakPolarHBondContact OE2-CE 3.31Å; E367-K369 IonicContact OE2-NZ 2.77Å; E367-K369 PolarHBondContact OE2-NZ 2.9Å; K369-E371 VanDerWaalsContact C-N 3.33Å; K369-E371 PolarHBondContact O-N 2.84Å; K369-H385 PolarHBondContact O-NE2 3.11Å
370	D	86.3	Confident	87.5	Confident	70 Å²	70	54.8 Å²	54.8	37%	0.374	29%	0.285	S	S	.	.			trans	61.2	38.3	168.7	-117.9	4	0	0	0	113.2	N372 K373 M374 Y387	D370-N372 VanDerWaalsContact C-N 3.27Å; D370-N372 PolarHBondContact O-N 2.9Å; D370-N372 VanDerWaalsContact O-N 3.15Å; D370-K373 WeakPolarHBondContact O-CA 3.4Å; D370-K373 WeakPolarHBondContact O-CB 3.27Å; D370-K373 PolarHBondContact O-N 3.07Å; D370-K373 IonicContact OD1-NZ 3.76Å; D370-K373 PolarHBondContact OD1-NZ 3.31Å; D370-K373 WeakPolarHBondContact OD2-CD 3.22Å; D370-K373 WeakPolarHBondContact OD2-CE 3.3Å; D370-K373 IonicContact OD2-NZ 3.62Å; D370-K373 PolarHBondContact OD2-NZ 3.21Å; D370-M374 PolarHBondContact O-N 2.86Å; D370-Y387 HydrophobicContact CB-CE1 4.3Å
371	E	86.4	Confident	87.4	Confident	137 Å²	137	54.8 Å²	54.8	64%	0.64	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-46.3	-44	-177.9	-64.6	167.6	-166.9	0	0	113.9	S368 K369 K373 M374	S368-E371 WeakPolarHBondContact O-CG 3.24Å; K369-E371 VanDerWaalsContact C-N 3.33Å; K369-E371 PolarHBondContact O-N 2.84Å; E371-K373 PolarHBondContact O-N 3.14Å; E371-M374 WeakPolarHBondContact O-CB 3.49Å; E371-M374 PolarHBondContact O-N 3.41Å
372	N	86.7	Confident	87.3	Confident	85 Å²	85	53.4 Å²	53.4	46%	0.455	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-57.7	-8.6	174.3	-73.2	-45.1	0	0	0	114.7	D370 Q629	D370-N372 VanDerWaalsContact C-N 3.27Å; D370-N372 PolarHBondContact O-N 2.9Å; D370-N372 VanDerWaalsContact O-N 3.15Å; N372-Q629 PolarHBondContact ND2-NE2 3.4Å; N372-Q629 WeakPolarHBondContact OD1-CG 3.42Å; N372-Q629 PolarHBondContact OD1-OE1 3.35Å
373	K	87.2	Confident	87.2	Confident	92 Å²	92	53.4 Å²	53.4	40%	0.4	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-120.9	6.2	178	-57	-176	-159.8	137.4	0	112.4	D370 E371 T386 Y387	D370-K373 WeakPolarHBondContact O-CA 3.4Å; D370-K373 WeakPolarHBondContact O-CB 3.27Å; D370-K373 PolarHBondContact O-N 3.07Å; D370-K373 IonicContact OD1-NZ 3.76Å; D370-K373 PolarHBondContact OD1-NZ 3.31Å; D370-K373 WeakPolarHBondContact OD2-CD 3.22Å; D370-K373 WeakPolarHBondContact OD2-CE 3.3Å; D370-K373 IonicContact OD2-NZ 3.62Å; D370-K373 PolarHBondContact OD2-NZ 3.21Å; E371-K373 PolarHBondContact O-N 3.14Å; K373-T386 WeakPolarHBondContact CB-OG1 3.15Å; K373-T386 WeakPolarHBondContact O-CB 3.18Å; K373-T386 WeakPolarHBondContact O-CG2 3.4Å; K373-T386 PolarHBondContact O-N 2.93Å; K373-T386 PolarHBondContact O-OG1 3.07Å; K373-Y387 HydrophobicContact CB-CE1 4.46Å; K373-Y387 HydrophobicContact CD-CE1 4.34Å
374	M	88.9	Confident	87.5	Confident	26 Å²	26	52.3 Å²	52.3	13%	0.128	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	139.7	172.7	-162.8	-179.3	-64.3	0	0	110.9	K360 C362 D370 E371	K360-M374 HydrophobicContact CG-SD 4.29Å; C362-M374 HydrophobicContact CB-CE 4.3Å; D370-M374 PolarHBondContact O-N 2.86Å; E371-M374 WeakPolarHBondContact O-CB 3.49Å; E371-M374 PolarHBondContact O-N 3.41Å
375	L	89.6	Confident	87.9	Confident	8 Å²	8	48.5 Å²	48.5	4%	0.042	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.8	173	-57.8	-178	0	0	0	108.9	G383 Y384 T386 L389 V393 I396 P397 F401	L375-G383 CarbonylContact O-C 3.43Å; L375-Y384 PolarHBondContact N-O 3.3Å; L375-Y384 PolarHBondContact O-N 3.25Å; L375-T386 HydrophobicContact CD1-CG2 4.03Å; L375-T386 HydrophobicContact CD2-CG2 4.21Å; L375-T386 HydrophobicContact CG-CG2 3.95Å; L375-L389 HydrophobicContact CD1-CD1 3.93Å; L375-V393 HydrophobicContact CD1-CB 4.37Å; L375-V393 HydrophobicContact CD1-CG1 4.1Å; L375-I396 HydrophobicContact CD2-CB 4.18Å; L375-I396 HydrophobicContact CD2-CG1 4.01Å; L375-I396 HydrophobicContact CD2-CG2 3.7Å; L375-P397 HydrophobicContact CD1-CG 4.32Å; L375-F401 HydrophobicContact CB-CD1 3.72Å; L375-F401 HydrophobicContact CB-CE1 4.02Å; L375-F401 HydrophobicContact CB-CG 4.04Å; L375-F401 HydrophobicContact CD1-CD1 4.41Å; L375-F401 HydrophobicContact CD1-CD2 3.84Å; L375-F401 HydrophobicContact CD1-CE2 4Å; L375-F401 HydrophobicContact CD1-CG 4.05Å; L375-F401 HydrophobicContact CD1-CZ 4.37Å
376	V	90.7	Very high	88	Confident	60 Å²	60	46.9 Å²	46.9	36%	0.364	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	144.4	170.9	-175.1	0	0	0	0	109.3	D381 K382	V376-D381 WeakPolarHBondContact CG1-OD1 3.41Å; V376-K382 WeakPolarHBondContact CA-O 3.19Å
377	C	88	Confident	88.2	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.02	24%	0.24	C	C	.	.			trans	-90.4	125.2	-175.8	179.5	0	0	0	0	113.2	V379 C380 D381 K382 Y384 F401 C403	C377-V379 PolarHBondContact O-N 3.16Å; C377-C380 VanDerWaalsContact CB-SG 3.58Å; C377-C380 PolarHBondContact O-N 2.83Å; C377-D381 WeakPolarHBondContact O-CA 3.3Å; C377-D381 PolarHBondContact O-N 2.9Å; C377-K382 PolarHBondContact N-O 2.94Å; C377-K382 VanDerWaalsContact N-O 3.08Å; C377-Y384 HydrophobicContact CB-CE2 4.26Å; C377-F401 CarbonylContact C-O 3.48Å; C377-F401 VanDerWaalsContact CA-O 3.3Å; C377-F401 WeakPolarHBondContact CA-O 3.42Å; C377-F401 HydrophobicContact CB-CD1 4.5Å; C377-C403 HydrophobicContact CB-CB 4.04Å; C377-C403 PolarHBondContact SG-N 3.44Å; C377-C403 VanDerWaalsContact SG-SG 3.65Å
378	D	85	Confident	88.2	Confident	77 Å²	77	45.1 Å²	45.1	41%	0.412	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	7.7	-179.1	-27.5	-42.4	0	0	0	116.5	G400 F401 R402	D378-G400 VanDerWaalsContact OD1-CA 3.32Å; D378-G400 WeakPolarHBondContact OD1-CA 3.17Å; D378-F401 PolarHBondContact N-O 2.86Å; D378-F401 PolarHBondContact OD1-N 2.91Å; D378-F401 VanDerWaalsContact OD1-O 3.07Å; D378-F401 PolarHBondContact OD2-N 2.77Å; D378-R402 WeakPolarHBondContact OD2-CG 3.34Å; D378-R402 IonicContact OD2-CZ 3.32Å; D378-R402 IonicContact OD2-NE 3.69Å; D378-R402 PolarHBondContact OD2-NE 2.88Å; D378-R402 IonicContact OD2-NH2 3.63Å; D378-R402 PolarHBondContact OD2-NH2 2.82Å
379	V	80.5	Confident	88	Confident	31 Å²	31	43 Å²	43	19%	0.188	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137	-38.6	-168.4	-177.5	0	0	0	0	112.9	T349 I350 C377 R402 C406	T349-V379 HydrophobicContact CG2-CG1 4.43Å; I350-V379 WeakPolarHBondContact CG1-O 3.44Å; C377-V379 PolarHBondContact O-N 3.16Å; V379-R402 HydrophobicContact CG2-CG 4.17Å; V379-R402 VanDerWaalsContact CG2-NH1 3.27Å; V379-C406 HydrophobicContact CB-CB 3.84Å; V379-C406 HydrophobicContact CG1-CB 3.97Å; V379-C406 HydrophobicContact CG2-CB 4.23Å
380	C	86	Confident	87.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	0.8	-178.7	62.3	0	0	0	0	113.8	L180 T349 C377 K382	L180-C380 HydrophobicContact CD1-CB 3.44Å; L180-C380 VanDerWaalsContact CD1-CB 3.44Å; L180-C380 HydrophobicContact CG-CB 4.2Å; T349-C380 HydrophobicContact CG2-CB 3.77Å; T349-C380 VanDerWaalsContact O-CB 3.29Å; T349-C380 WeakPolarHBondContact O-CB 3.38Å; C377-C380 VanDerWaalsContact CB-SG 3.58Å; C377-C380 PolarHBondContact O-N 2.83Å; C380-K382 HydrophobicContact CB-CG 4.26Å; C380-K382 VanDerWaalsContact O-CG 3.3Å; C380-K382 WeakPolarHBondContact O-CG 3.49Å; C380-K382 PolarHBondContact O-N 3.34Å; C380-K382 VanDerWaalsContact O-N 3.12Å
381	D	90.7	Very high	86.9	Confident	27 Å²	27	45.8 Å²	45.8	14%	0.144	23%	0.23	C	C	.	.			trans	51.6	33	-178.9	-165	50.9	0	0	0	114.4	L344 I350 W354 K360 V376 C377	L344-D381 HydrophobicContact CD1-CB 3.95Å; I350-D381 HydrophobicContact CG2-CB 4.38Å; W354-D381 PolarHBondContact NE1-OD2 3.29Å; K360-D381 WeakPolarHBondContact CE-O 3.45Å; K360-D381 PolarHBondContact NZ-O 3.33Å; K360-D381 IonicContact NZ-OD1 3.35Å; K360-D381 IonicContact NZ-OD2 3.3Å; K360-D381 PolarHBondContact NZ-OD2 2.85Å; V376-D381 WeakPolarHBondContact CG1-OD1 3.41Å; C377-D381 WeakPolarHBondContact O-CA 3.3Å; C377-D381 PolarHBondContact O-N 2.9Å
382	K	88.7	Confident	86.7	Confident	5 Å²	5	43.6 Å²	43.6	2%	0.022	23%	0.227	C	C	.	.			trans	-98.5	139.8	178.1	-56.5	-153.8	-177.8	-50	0	112.3	L64 L180 I352 G353 L363 V376 C377 C380 Y384	L64-K382 HydrophobicContact CD2-CD 4.35Å; L180-K382 HydrophobicContact CD1-CD 4Å; L180-K382 VanDerWaalsContact CD1-CE 3.45Å; I352-K382 VanDerWaalsContact O-CE 3.25Å; I352-K382 WeakPolarHBondContact O-CE 3.34Å; I352-K382 PolarHBondContact O-NZ 2.82Å; G353-K382 VanDerWaalsContact C-NZ 3.33Å; G353-K382 PolarHBondContact O-NZ 3.33Å; L363-K382 HydrophobicContact CD1-CD 4.24Å; L363-K382 HydrophobicContact CD2-CB 4.25Å; L363-K382 HydrophobicContact CD2-CD 3.57Å; V376-K382 WeakPolarHBondContact CA-O 3.19Å; C377-K382 PolarHBondContact N-O 2.94Å; C377-K382 VanDerWaalsContact N-O 3.08Å; C380-K382 HydrophobicContact CB-CG 4.26Å; C380-K382 VanDerWaalsContact O-CG 3.3Å; C380-K382 WeakPolarHBondContact O-CG 3.49Å; C380-K382 PolarHBondContact O-N 3.34Å; C380-K382 VanDerWaalsContact O-N 3.12Å; K382-Y384 HydrophobicContact CB-CE2 3.82Å; K382-Y384 VanDerWaalsContact O-CD2 3.24Å; K382-Y384 WeakPolarHBondContact O-CD2 3.37Å; K382-Y384 WeakPolarHBondContact O-CE2 3.27Å
383	G	90.7	Very high	86.4	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	142.7	178.9	0	0	0	0	0	113.3	C362 L363 L375	C362-G383 WeakPolarHBondContact CA-O 3.42Å; L363-G383 PolarHBondContact N-O 2.73Å; L375-G383 CarbonylContact O-C 3.43Å
384	Y	91.3	Very high	85.6	Confident	7 Å²	7	42.6 Å²	42.6	3%	0.027	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	126.2	176.4	-56.2	-90.3	0	0	0	110.3	L363 I364 L375 C377 K382 T386 L389 F401 C403	L363-Y384 HydrophobicContact CB-CD1 4.27Å; L363-Y384 HydrophobicContact CB-CE1 3.83Å; L363-Y384 HydrophobicContact CD2-CE1 3.97Å; L363-Y384 WeakPolarHBondContact CD2-OH 3.42Å; L363-Y384 HydrophobicContact CG-CE1 4.5Å; I364-Y384 HydrophobicContact CD1-CD1 3.84Å; I364-Y384 HydrophobicContact CD1-CE1 4.47Å; I364-Y384 HydrophobicContact CG1-CD1 4.05Å; I364-Y384 HydrophobicContact CG1-CE1 4.46Å; L375-Y384 PolarHBondContact N-O 3.3Å; L375-Y384 PolarHBondContact O-N 3.25Å; C377-Y384 HydrophobicContact CB-CE2 4.26Å; K382-Y384 HydrophobicContact CB-CE2 3.82Å; K382-Y384 VanDerWaalsContact O-CD2 3.24Å; K382-Y384 WeakPolarHBondContact O-CD2 3.37Å; K382-Y384 WeakPolarHBondContact O-CE2 3.27Å; Y384-T386 PolarHBondContact O-N 2.99Å; Y384-L389 HydrophobicContact CD1-CD2 4.08Å; Y384-L389 HydrophobicContact CG-CD2 4Å; Y384-F401 AromaticContact CD2-CE1 3.94Å; Y384-F401 HydrophobicContact CD2-CE1 3.94Å; Y384-C403 HydrophobicContact CD2-CB 3.89Å; Y384-C403 HydrophobicContact CE1-CB 4.33Å; Y384-C403 HydrophobicContact CE2-CB 3.23Å; Y384-C403 VanDerWaalsContact CZ-CB 3.49Å; Y384-C403 PolarHBondContact OH-SG 3.4Å; Y384-C403 VanDerWaalsContact OH-SG 3.33Å
385	H	91.6	Very high	84.8	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	137.3	169.4	-58.8	121.1	0	0	0	111.1	C362 C365 E367 K369 Y387 C388 L389	C362-H385 WeakPolarHBondContact CB-CE1 3.45Å; C362-H385 WeakPolarHBondContact CB-ND1 3.33Å; C362-H385 PolarHBondContact SG-N 3.45Å; C362-H385 PolarHBondContact SG-ND1 3.3Å; C365-H385 PolarHBondContact SG-ND1 3.04Å; C365-H385 VanDerWaalsContact SG-ND1 3.41Å; E367-H385 PolarHBondContact O-CE1 2.96Å; K369-H385 PolarHBondContact O-NE2 3.11Å; H385-Y387 HydrophobicContact CB-CD1 4.05Å; H385-Y387 HydrophobicContact CB-CD2 3.98Å; H385-Y387 HydrophobicContact CB-CE1 3.75Å; H385-Y387 HydrophobicContact CB-CE2 3.65Å; H385-Y387 HydrophobicContact CB-CG 4.16Å; H385-Y387 AromaticContact CD2-CZ 3.97Å; H385-Y387 AromaticContact CG-CE2 3.85Å; H385-Y387 AromaticContact CG-CZ 3.49Å; H385-Y387 VanDerWaalsContact CG-CZ 3.49Å; H385-Y387 AromaticContact ND1-CE2 3.86Å; H385-Y387 AromaticContact ND1-CZ 3.77Å; H385-Y387 PolarHBondContact ND1-OH 3.33Å; H385-Y387 PolarHBondContact O-N 3.32Å; H385-Y387 VanDerWaalsContact O-N 3.09Å; H385-C388 HydrophobicContact CB-CB 4.02Å; H385-C388 PolarHBondContact O-N 2.92Å; H385-L389 PolarHBondContact O-N 3.32Å
386	T	90.3	Very high	84.3	Confident	15 Å²	15	47.6 Å²	47.6	9%	0.092	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41.7	-42.1	169.3	39.8	0	0	0	0	113.3	K373 L375 Y384 P392 V393	K373-T386 WeakPolarHBondContact CB-OG1 3.15Å; K373-T386 WeakPolarHBondContact O-CB 3.18Å; K373-T386 WeakPolarHBondContact O-CG2 3.4Å; K373-T386 PolarHBondContact O-N 2.93Å; K373-T386 PolarHBondContact O-OG1 3.07Å; L375-T386 HydrophobicContact CD1-CG2 4.03Å; L375-T386 HydrophobicContact CD2-CG2 4.21Å; L375-T386 HydrophobicContact CG-CG2 3.95Å; Y384-T386 PolarHBondContact O-N 2.99Å; T386-P392 WeakPolarHBondContact O-CA 3.05Å; T386-V393 VanDerWaalsContact CB-O 3.23Å; T386-V393 WeakPolarHBondContact CB-O 3.5Å; T386-V393 WeakPolarHBondContact CG2-O 3.29Å; T386-V393 PolarHBondContact O-N 3.29Å
387	Y	91	Very high	83.6	Confident	98 Å²	98	46.1 Å²	46.1	38%	0.384	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-21.5	-179.9	54.9	-101.4	0	0	0	115.2	D370 K373 H385	D370-Y387 HydrophobicContact CB-CE1 4.3Å; K373-Y387 HydrophobicContact CB-CE1 4.46Å; K373-Y387 HydrophobicContact CD-CE1 4.34Å; H385-Y387 HydrophobicContact CB-CD1 4.05Å; H385-Y387 HydrophobicContact CB-CD2 3.98Å; H385-Y387 HydrophobicContact CB-CE1 3.75Å; H385-Y387 HydrophobicContact CB-CE2 3.65Å; H385-Y387 HydrophobicContact CB-CG 4.16Å; H385-Y387 AromaticContact CD2-CZ 3.97Å; H385-Y387 AromaticContact CG-CE2 3.85Å; H385-Y387 AromaticContact CG-CZ 3.49Å; H385-Y387 VanDerWaalsContact CG-CZ 3.49Å; H385-Y387 AromaticContact ND1-CE2 3.86Å; H385-Y387 AromaticContact ND1-CZ 3.77Å; H385-Y387 PolarHBondContact ND1-OH 3.33Å; H385-Y387 PolarHBondContact O-N 3.32Å; H385-Y387 VanDerWaalsContact O-N 3.09Å
388	C	88.1	Confident	82.8	Confident	21 Å²	21	49.8 Å²	49.8	14%	0.142	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-23.2	176.3	-73.3	0	0	0	0	112.9	I364 H385	I364-C388 HydrophobicContact CB-CB 3.91Å; I364-C388 HydrophobicContact CD1-CB 4.13Å; I364-C388 WeakPolarHBondContact CD1-O 3.07Å; I364-C388 HydrophobicContact CG2-CB 3.86Å; H385-C388 HydrophobicContact CB-CB 4.02Å; H385-C388 PolarHBondContact O-N 2.92Å
389	L	84.3	Confident	82.2	Confident	15 Å²	15	49.9 Å²	49.9	8%	0.079	28%	0.278	C	S	.	.	S	Bend	trans	-62.3	152.5	175.4	-68.5	170.1	0	0	0	111.9	I364 L375 Y384 H385 P391 P392 V393 F401	I364-L389 HydrophobicContact CD1-CD2 4.38Å; L375-L389 HydrophobicContact CD1-CD1 3.93Å; Y384-L389 HydrophobicContact CD1-CD2 4.08Å; Y384-L389 HydrophobicContact CG-CD2 4Å; H385-L389 PolarHBondContact O-N 3.32Å; L389-P391 CarbonylContact C-O 3.35Å; L389-P391 CarbonylContact O-C 3.53Å; L389-P392 WeakPolarHBondContact O-CA 3.3Å; L389-P392 WeakPolarHBondContact O-CD 3.19Å; L389-V393 HydrophobicContact CB-CG2 4.4Å; L389-V393 HydrophobicContact CD1-CB 4.31Å; L389-V393 HydrophobicContact CD1-CG2 3.71Å; L389-F401 HydrophobicContact CD1-CE1 4.4Å; L389-F401 HydrophobicContact CD1-CE2 3.74Å; L389-F401 HydrophobicContact CD1-CZ 3.47Å; L389-F401 VanDerWaalsContact CD1-CZ 3.47Å; L389-F401 HydrophobicContact CD2-CZ 3.86Å; L389-F401 HydrophobicContact CG-CZ 4.33Å
390	K	73.1	Confident	82	Confident	175 Å²	175	49.8 Å²	49.8	76%	0.761	28%	0.284	S	S	*	.	S	Bend	trans	-123.1	112.3	179.8	-66.9	-179	-178.5	176	0	109.9
391	P	76.7	Confident	82	Confident	79 Å²	79	50.1 Å²	50.1	51%	0.513	29%	0.285	S	S	.	.	S	Bend	cis	-65.1	158.2	-11.2	31.5	-36.5	0	0	0	112.3	L389	L389-P391 CarbonylContact C-O 3.35Å; L389-P391 CarbonylContact O-C 3.53Å
392	P	81.2	Confident	81.6	Confident	90 Å²	90	53 Å²	53	58%	0.584	29%	0.294	S	S	*	.			trans	-55.6	145.6	172.2	-30.3	38.1	0	0	0	113	T386 L389	T386-P392 WeakPolarHBondContact O-CA 3.05Å; L389-P392 WeakPolarHBondContact O-CA 3.3Å; L389-P392 WeakPolarHBondContact O-CD 3.19Å
393	V	81.6	Confident	81.4	Confident	29 Å²	29	52.7 Å²	52.7	18%	0.176	29%	0.293	C	S	.	.			trans	-103.1	110.2	-179.6	174.8	0	0	0	0	108.8	L375 T386 L389 S395 P397	L375-V393 HydrophobicContact CD1-CB 4.37Å; L375-V393 HydrophobicContact CD1-CG1 4.1Å; T386-V393 VanDerWaalsContact CB-O 3.23Å; T386-V393 WeakPolarHBondContact CB-O 3.5Å; T386-V393 WeakPolarHBondContact CG2-O 3.29Å; T386-V393 PolarHBondContact O-N 3.29Å; L389-V393 HydrophobicContact CB-CG2 4.4Å; L389-V393 HydrophobicContact CD1-CB 4.31Å; L389-V393 HydrophobicContact CD1-CG2 3.71Å; V393-S395 VanDerWaalsContact C-N 3.32Å; V393-S395 WeakPolarHBondContact CG1-O 3.29Å; V393-S395 PolarHBondContact O-N 3.47Å; V393-P397 HydrophobicContact CG1-CG 4.25Å
394	S	71	Confident	80.9	Confident	128 Å²	128	56.7 Å²	56.7	90%	0.895	31%	0.311	S	S	*	.	S	Bend	trans	-75.1	-13.1	-171.8	57.4	0	0	0	0	115.7
395	S	71.9	Confident	80.2	Confident	82 Å²	82	60.8 Å²	60.8	57%	0.573	33%	0.327	S	S	*	.	S	Bend	trans	-155.9	149	-179.8	51.1	0	0	0	0	110.8	V393 P397	V393-S395 VanDerWaalsContact C-N 3.32Å; V393-S395 WeakPolarHBondContact CG1-O 3.29Å; V393-S395 PolarHBondContact O-N 3.47Å; S395-P397 WeakPolarHBondContact O-CD 3.29Å
396	I	77.3	Confident	79.7	Confident	56 Å²	56	61.3 Å²	61.3	29%	0.287	33%	0.33	S	S	.	.			trans	-66.1	125.4	-172.6	-59	-177.2	0	0	0	110.5	L375 K398 I631	L375-I396 HydrophobicContact CD2-CB 4.18Å; L375-I396 HydrophobicContact CD2-CG1 4.01Å; L375-I396 HydrophobicContact CD2-CG2 3.7Å; I396-K398 PolarHBondContact O-N 3.01Å; I396-I631 HydrophobicContact CB-CG2 4.26Å; I396-I631 HydrophobicContact CD1-CD1 3.72Å; I396-I631 HydrophobicContact CD1-CG1 4.29Å; I396-I631 HydrophobicContact CD1-CG2 4.11Å; I396-I631 HydrophobicContact CG2-CG2 3.88Å
397	P	76.7	Confident	79.2	Confident	30 Å²	30	62.2 Å²	62.2	20%	0.195	33%	0.331	C	S	.	.			trans	-64.8	115	-178.4	-25.8	37	0	0	0	113.1	L375 V393 S395 N399 G400 F401	L375-P397 HydrophobicContact CD1-CG 4.32Å; V393-P397 HydrophobicContact CG1-CG 4.25Å; S395-P397 WeakPolarHBondContact O-CD 3.29Å; P397-N399 PolarHBondContact O-N 3.47Å; P397-N399 VanDerWaalsContact O-N 3.08Å; P397-G400 WeakPolarHBondContact CB-O 3.33Å; P397-F401 HydrophobicContact CG-CB 4.38Å; P397-F401 HydrophobicContact CG-CD2 4.17Å
398	K	72.1	Confident	78.5	Confident	80 Å²	80	60 Å²	60	35%	0.348	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.3	-175.8	-53.9	176.2	-177.4	175.3	0	115.3	I396 N634	I396-K398 PolarHBondContact O-N 3.01Å; K398-N634 HydrophobicContact CD-CB 3.91Å; K398-N634 WeakPolarHBondContact CD-O 3.06Å; K398-N634 PolarHBondContact NZ-ND2 2.81Å
399	N	71.8	Confident	78	Confident	79 Å²	79	59.1 Å²	59.1	42%	0.422	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	30.8	-170.1	-61.9	-0.2	0	0	0	112.3	P397 N442	P397-N399 PolarHBondContact O-N 3.47Å; P397-N399 VanDerWaalsContact O-N 3.08Å; N399-N442 HydrophobicContact CB-CB 4.39Å; N399-N442 WeakPolarHBondContact CB-ND2 3.31Å; N399-N442 PolarHBondContact ND2-ND2 3.33Å; N399-N442 PolarHBondContact ND2-OD1 3.07Å
400	G	76.5	Confident	77.7	Confident	29 Å²	29	60.7 Å²	60.7	30%	0.299	33%	0.334	S	S	.	.			trans	82.1	160.4	-170.4	0	0	0	0	0	113.2	D378 P397	D378-G400 VanDerWaalsContact OD1-CA 3.32Å; D378-G400 WeakPolarHBondContact OD1-CA 3.17Å; P397-G400 WeakPolarHBondContact CB-O 3.33Å
401	F	85.7	Confident	77.7	Confident	6.5 Å²	6.5	52.9 Å²	52.9	3%	0.029	30%	0.301	C	S	.	.			trans	-128.3	130.4	177.4	172.7	-103.9	0	0	0	111.1	L375 C377 D378 Y384 L389 P397 C403	L375-F401 HydrophobicContact CB-CD1 3.72Å; L375-F401 HydrophobicContact CB-CE1 4.02Å; L375-F401 HydrophobicContact CB-CG 4.04Å; L375-F401 HydrophobicContact CD1-CD1 4.41Å; L375-F401 HydrophobicContact CD1-CD2 3.84Å; L375-F401 HydrophobicContact CD1-CE2 4Å; L375-F401 HydrophobicContact CD1-CG 4.05Å; L375-F401 HydrophobicContact CD1-CZ 4.37Å; C377-F401 CarbonylContact C-O 3.48Å; C377-F401 VanDerWaalsContact CA-O 3.3Å; C377-F401 WeakPolarHBondContact CA-O 3.42Å; C377-F401 HydrophobicContact CB-CD1 4.5Å; D378-F401 PolarHBondContact N-O 2.86Å; D378-F401 PolarHBondContact OD1-N 2.91Å; D378-F401 VanDerWaalsContact OD1-O 3.07Å; D378-F401 PolarHBondContact OD2-N 2.77Å; Y384-F401 AromaticContact CD2-CE1 3.94Å; Y384-F401 HydrophobicContact CD2-CE1 3.94Å; L389-F401 HydrophobicContact CD1-CE1 4.4Å; L389-F401 HydrophobicContact CD1-CE2 3.74Å; L389-F401 HydrophobicContact CD1-CZ 3.47Å; L389-F401 VanDerWaalsContact CD1-CZ 3.47Å; L389-F401 HydrophobicContact CD2-CZ 3.86Å; L389-F401 HydrophobicContact CG-CZ 4.33Å; P397-F401 HydrophobicContact CG-CB 4.38Å; P397-F401 HydrophobicContact CG-CD2 4.17Å; F401-C403 HydrophobicContact CE1-CB 3.99Å; F401-C403 HydrophobicContact CZ-CB 4.33Å
402	R	83.3	Confident	77.5	Confident	86.5 Å²	86.5	50.3 Å²	50.3	33%	0.326	28%	0.284	S	S	.	.			trans	-114.5	122.6	171.5	-60.4	-176.2	-175.8	-123.6	-16.7	108.7	D378 V379 R407	D378-R402 WeakPolarHBondContact OD2-CG 3.34Å; D378-R402 IonicContact OD2-CZ 3.32Å; D378-R402 IonicContact OD2-NE 3.69Å; D378-R402 PolarHBondContact OD2-NE 2.88Å; D378-R402 IonicContact OD2-NH2 3.63Å; D378-R402 PolarHBondContact OD2-NH2 2.82Å; V379-R402 HydrophobicContact CG2-CG 4.17Å; V379-R402 VanDerWaalsContact CG2-NH1 3.27Å; R402-R407 HydrophobicContact CB-CG 4.04Å; R402-R407 VanDerWaalsContact O-CZ 3.25Å; R402-R407 PolarHBondContact O-NE 3.02Å; R402-R407 PolarHBondContact O-NH2 3.18Å; R402-R407 VanDerWaalsContact O-NH2 3.1Å
403	C	84.3	Confident	77	Confident	0.5 Å²	0.5	47.4 Å²	47.4	0%	0.003	27%	0.271	C	S	.	.			trans	-66.2	161.1	174.8	77.9	0	0	0	0	110.7	C377 Y384 F401 R405 C406 R407	C377-C403 HydrophobicContact CB-CB 4.04Å; C377-C403 PolarHBondContact SG-N 3.44Å; C377-C403 VanDerWaalsContact SG-SG 3.65Å; Y384-C403 HydrophobicContact CD2-CB 3.89Å; Y384-C403 HydrophobicContact CE1-CB 4.33Å; Y384-C403 HydrophobicContact CE2-CB 3.23Å; Y384-C403 VanDerWaalsContact CZ-CB 3.49Å; Y384-C403 PolarHBondContact OH-SG 3.4Å; Y384-C403 VanDerWaalsContact OH-SG 3.33Å; F401-C403 HydrophobicContact CE1-CB 3.99Å; F401-C403 HydrophobicContact CZ-CB 4.33Å; C403-R405 PolarHBondContact O-N 3.34Å; C403-R405 VanDerWaalsContact O-N 3.14Å; C403-C406 CarbonylContact O-C 3.51Å; C403-C406 PolarHBondContact O-N 3.1Å; C403-C406 VanDerWaalsContact SG-SG 3.66Å; C403-R407 WeakPolarHBondContact O-CG 3.35Å; C403-R407 PolarHBondContact O-N 3.26Å; C403-R407 VanDerWaalsContact O-N 3.09Å
404	E	79.4	Confident	76.1	Confident	84.5 Å²	84.5	47.2 Å²	47.2	40%	0.395	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-57.3	-34.4	-172.9	-161.7	-171.8	163.1	0	0	113.8	C406 R416	E404-C406 VanDerWaalsContact C-N 3.3Å; E404-C406 PolarHBondContact O-N 2.81Å; E404-R416 WeakPolarHBondContact OE1-CD 3.28Å; E404-R416 IonicContact OE1-CZ 2.84Å; E404-R416 IonicContact OE1-NE 3.49Å; E404-R416 PolarHBondContact OE1-NE 2.88Å; E404-R416 IonicContact OE1-NH1 3.75Å; E404-R416 PolarHBondContact OE1-NH1 3.37Å; E404-R416 IonicContact OE1-NH2 3.51Å; E404-R416 PolarHBondContact OE1-NH2 3.38Å; E404-R416 IonicContact OE2-CZ 2.78Å; E404-R416 IonicContact OE2-NE 3.69Å; E404-R416 IonicContact OE2-NH2 2.59Å; E404-R416 PolarHBondContact OE2-NH2 3.35Å
405	R	76.6	Confident	75.7	Confident	93.5 Å²	93.5	42 Å²	42	35%	0.353	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-67	-34.4	175.5	-66.3	178.6	-132.1	175.4	-0.9	112.3	G179 L180 E183 C403 R407 S417	G179-R405 WeakPolarHBondContact CA-O 3.34Å; L180-R405 HydrophobicContact CD2-CB 3.87Å; L180-R405 HydrophobicContact CD2-CG 4.21Å; E183-R405 VanDerWaalsContact OE1-CD 3.24Å; E183-R405 WeakPolarHBondContact OE1-CD 3.5Å; E183-R405 IonicContact OE1-CZ 2.63Å; E183-R405 IonicContact OE1-NE 3.43Å; E183-R405 PolarHBondContact OE1-NE 3.33Å; E183-R405 VanDerWaalsContact OE1-NE 3.12Å; E183-R405 IonicContact OE1-NH1 2.63Å; E183-R405 PolarHBondContact OE1-NH1 3.46Å; E183-R405 IonicContact OE1-NH2 2.86Å; E183-R405 IonicContact OE2-CZ 3.36Å; E183-R405 IonicContact OE2-NH1 3.72Å; E183-R405 PolarHBondContact OE2-NH1 3.34Å; C403-R405 PolarHBondContact O-N 3.34Å; C403-R405 VanDerWaalsContact O-N 3.14Å; R405-R407 PolarHBondContact O-N 3.46Å; R405-S417 WeakPolarHBondContact O-CB 3.22Å
406	C	80.7	Confident	74.8	Confident	10.5 Å²	10.5	44.4 Å²	44.4	7%	0.071	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-95.5	5.6	-178	-64.7	0	0	0	0	114.7	V379 C403 E404 V408	V379-C406 HydrophobicContact CB-CB 3.84Å; V379-C406 HydrophobicContact CG1-CB 3.97Å; V379-C406 HydrophobicContact CG2-CB 4.23Å; C403-C406 CarbonylContact O-C 3.51Å; C403-C406 PolarHBondContact O-N 3.1Å; C403-C406 VanDerWaalsContact SG-SG 3.66Å; E404-C406 VanDerWaalsContact C-N 3.3Å; E404-C406 PolarHBondContact O-N 2.81Å; C406-V408 PolarHBondContact O-N 2.96Å
407	R	80.1	Confident	73.1	Confident	32.5 Å²	32.5	43.1 Å²	43.1	12%	0.123	23%	0.234	C	C	.	.			trans	-82.2	101.8	174.2	-72.7	177.9	-167.9	170.6	4.8	110.6	R402 C403 R405 G415 W439 Y443	R402-R407 HydrophobicContact CB-CG 4.04Å; R402-R407 VanDerWaalsContact O-CZ 3.25Å; R402-R407 PolarHBondContact O-NE 3.02Å; R402-R407 PolarHBondContact O-NH2 3.18Å; R402-R407 VanDerWaalsContact O-NH2 3.1Å; C403-R407 WeakPolarHBondContact O-CG 3.35Å; C403-R407 PolarHBondContact O-N 3.26Å; C403-R407 VanDerWaalsContact O-N 3.09Å; R405-R407 PolarHBondContact O-N 3.46Å; R407-G415 WeakPolarHBondContact O-CA 3.34Å; R407-W439 HydrophobicContact CB-CD2 4.38Å; R407-W439 HydrophobicContact CB-CH2 3.78Å; R407-W439 HydrophobicContact CB-CZ2 3.59Å; R407-W439 HydrophobicContact CB-CZ3 4.25Å; R407-W439 WeakPolarHBondContact O-CH2 3.36Å; R407-Y443 VanDerWaalsContact CZ-CD1 3.45Å; R407-Y443 VanDerWaalsContact CZ-CE1 3.43Å
408	V	75.4	Confident	71	Confident	53.5 Å²	53.5	44 Å²	44	32%	0.324	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-122.7	130	175.1	-179.9	0	0	0	0	108.5	C406 S410 G413	C406-V408 PolarHBondContact O-N 2.96Å; V408-S410 PolarHBondContact O-N 3.35Å; V408-G413 WeakPolarHBondContact CG1-O 3.23Å
409	C	79	Confident	69.2	Low	0.5 Å²	0.5	45.7 Å²	45.7	0%	0.003	26%	0.258	C	S	.	.			trans	-72.6	122.7	179.9	-179.5	0	0	0	0	111.5	R176 D411 C412 G413 G414 W439 T444 C446 C449	R176-C409 PolarHBondContact NH1-O 2.88Å; C409-D411 PolarHBondContact O-N 2.94Å; C409-D411 VanDerWaalsContact O-N 3.16Å; C409-C412 VanDerWaalsContact CB-SG 3.55Å; C409-C412 WeakPolarHBondContact CB-SG 3.27Å; C409-C412 PolarHBondContact O-N 2.92Å; C409-C412 VanDerWaalsContact O-N 3.13Å; C409-C412 PolarHBondContact SG-SG 2.85Å; C409-C412 VanDerWaalsContact SG-SG 3.62Å; C409-G413 WeakPolarHBondContact O-CA 3.5Å; C409-G413 PolarHBondContact O-N 3.42Å; C409-G414 VanDerWaalsContact CB-O 3.25Å; C409-G414 WeakPolarHBondContact CB-O 3.42Å; C409-G414 PolarHBondContact N-O 3.16Å; C409-W439 HydrophobicContact CB-CH2 4.4Å; C409-W439 HydrophobicContact CB-CZ3 4.17Å; C409-T444 CarbonylContact C-O 3.48Å; C409-T444 VanDerWaalsContact CA-O 3.28Å; C409-T444 WeakPolarHBondContact CA-O 3.3Å; C409-C446 HydrophobicContact CB-CB 4.18Å; C409-C446 PolarHBondContact SG-N 3.21Å; C409-C446 VanDerWaalsContact SG-N 3.42Å; C409-C449 VanDerWaalsContact SG-SG 3.65Å
410	S	76.7	Confident	67.2	Low	48.5 Å²	48.5	47.6 Å²	47.6	34%	0.339	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-24.4	-178.2	60.3	0	0	0	0	113.9	R176 V408 T444 L445 R465	R176-S410 PolarHBondContact NH1-O 3.19Å; R176-S410 PolarHBondContact NH2-O 2.97Å; R176-S410 VanDerWaalsContact NH2-O 3.12Å; V408-S410 PolarHBondContact O-N 3.35Å; S410-T444 PolarHBondContact N-O 3.14Å; S410-T444 PolarHBondContact OG-O 2.83Å; S410-T444 VanDerWaalsContact OG-O 3.13Å; S410-L445 WeakPolarHBondContact OG-CD2 3.28Å; S410-R465 WeakPolarHBondContact O-CD 3.01Å; S410-R465 VanDerWaalsContact O-CZ 3.25Å; S410-R465 PolarHBondContact O-NE 3.05Å; S410-R465 PolarHBondContact O-NH2 2.67Å
411	D	74.2	Confident	65	Low	12 Å²	12	50.5 Å²	50.5	6%	0.064	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-54.7	173.4	-96.5	19.1	0	0	0	112.2	C409 L445 C449 H453 R465 A466 S470	C409-D411 PolarHBondContact O-N 2.94Å; C409-D411 VanDerWaalsContact O-N 3.16Å; D411-L445 HydrophobicContact CB-CD2 3.91Å; D411-C449 HydrophobicContact CB-CB 3.68Å; D411-C449 VanDerWaalsContact CB-SG 3.57Å; D411-H453 VanDerWaalsContact CG-NE2 3.3Å; D411-H453 IonicContact OD1-CD2 2.71Å; D411-H453 IonicContact OD1-CE1 2.81Å; D411-H453 IonicContact OD1-NE2 2.75Å; D411-H453 PolarHBondContact OD1-NE2 3.13Å; D411-H453 IonicContact OD2-CD2 3.31Å; D411-H453 PolarHBondContact OD2-CD2 3Å; D411-H453 IonicContact OD2-NE2 3.35Å; D411-H453 PolarHBondContact OD2-NE2 2.79Å; D411-R465 WeakPolarHBondContact OD1-CA 3.18Å; D411-R465 WeakPolarHBondContact OD1-CB 3.46Å; D411-R465 WeakPolarHBondContact OD1-CG 3.45Å; D411-A466 WeakPolarHBondContact OD2-CB 3.35Å; D411-A466 PolarHBondContact OD2-N 3.04Å; D411-S470 WeakPolarHBondContact O-CA 3.37Å; D411-S470 WeakPolarHBondContact O-CB 3.3Å; D411-S470 PolarHBondContact O-OG 2.77Å
412	C	72.6	Confident	62.2	Low	23.5 Å²	23.5	52.6 Å²	52.6	16%	0.159	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-4.6	-165.1	63.6	0	0	0	0	116.2	C409 G414 C446 C449 C469 L471	C409-C412 VanDerWaalsContact CB-SG 3.55Å; C409-C412 WeakPolarHBondContact CB-SG 3.27Å; C409-C412 PolarHBondContact O-N 2.92Å; C409-C412 VanDerWaalsContact O-N 3.13Å; C409-C412 PolarHBondContact SG-SG 2.85Å; C409-C412 VanDerWaalsContact SG-SG 3.62Å; C412-G414 PolarHBondContact O-N 3.05Å; C412-G414 VanDerWaalsContact SG-CA 3.56Å; C412-G414 PolarHBondContact SG-N 3.14Å; C412-C446 VanDerWaalsContact SG-SG 3.65Å; C412-C449 PolarHBondContact SG-SG 3.09Å; C412-C469 WeakPolarHBondContact CA-O 3.22Å; C412-C469 HydrophobicContact CB-CB 4Å; C412-C469 WeakPolarHBondContact CB-O 3.41Å; C412-L471 WeakPolarHBondContact O-CD1 3.48Å; C412-L471 WeakPolarHBondContact O-CG 3.22Å
413	G	69.4	Low	59.6	Low	30.5 Å²	30.5	54.2 Å²	54.2	31%	0.314	32%	0.321	S	S	.	.			trans	70.2	-0.5	-168.1	0	0	0	0	0	114	V408 C409 G415	V408-G413 WeakPolarHBondContact CG1-O 3.23Å; C409-G413 WeakPolarHBondContact O-CA 3.5Å; C409-G413 PolarHBondContact O-N 3.42Å; G413-G415 PolarHBondContact O-N 3.04Å; G413-G415 VanDerWaalsContact O-N 3.13Å
414	G	64.1	Low	56.9	Low	24 Å²	24	60.8 Å²	60.8	25%	0.247	35%	0.352	C	S	.	.			trans	-67.6	112.9	-178.3	0	0	0	0	0	112.3	C409 C412 S418 W439	C409-G414 VanDerWaalsContact CB-O 3.25Å; C409-G414 WeakPolarHBondContact CB-O 3.42Å; C409-G414 PolarHBondContact N-O 3.16Å; C412-G414 PolarHBondContact O-N 3.05Å; C412-G414 VanDerWaalsContact SG-CA 3.56Å; C412-G414 PolarHBondContact SG-N 3.14Å; G414-S418 WeakPolarHBondContact CA-OG 3.46Å; G414-W439 WeakPolarHBondContact O-CH2 3.24Å
415	G	62.1	Low	54.5	Low	20 Å²	20	58.8 Å²	58.8	21%	0.206	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-148.6	-176.3	173.6	0	0	0	0	0	110.1	R407 G413 S417 S418	R407-G415 WeakPolarHBondContact O-CA 3.34Å; G413-G415 PolarHBondContact O-N 3.04Å; G413-G415 VanDerWaalsContact O-N 3.13Å; G415-S417 VanDerWaalsContact C-N 3.26Å; G415-S417 PolarHBondContact O-N 2.97Å; G415-S418 PolarHBondContact N-OG 3.14Å; G415-S418 WeakPolarHBondContact O-CB 3.17Å; G415-S418 PolarHBondContact O-N 3.47Å; G415-S418 PolarHBondContact O-OG 2.87Å
416	R	52.6	Low	52.2	Low	132 Å²	132	59.2 Å²	59.2	50%	0.498	37%	0.368	S	S	.	.	S	Bend	trans	-68.9	-25	177.1	-84.3	-172.6	168	-157.5	2.9	113.7	E404 S418 T419 N434 P435	E404-R416 WeakPolarHBondContact OE1-CD 3.28Å; E404-R416 IonicContact OE1-CZ 2.84Å; E404-R416 IonicContact OE1-NE 3.49Å; E404-R416 PolarHBondContact OE1-NE 2.88Å; E404-R416 IonicContact OE1-NH1 3.75Å; E404-R416 PolarHBondContact OE1-NH1 3.37Å; E404-R416 IonicContact OE1-NH2 3.51Å; E404-R416 PolarHBondContact OE1-NH2 3.38Å; E404-R416 IonicContact OE2-CZ 2.78Å; E404-R416 IonicContact OE2-NE 3.69Å; E404-R416 IonicContact OE2-NH2 2.59Å; E404-R416 PolarHBondContact OE2-NH2 3.35Å; R416-S418 VanDerWaalsContact C-N 3.27Å; R416-S418 PolarHBondContact O-N 2.93Å; R416-T419 PolarHBondContact O-OG1 3.44Å; R416-N434 PolarHBondContact NH2-O 3.37Å; R416-P435 VanDerWaalsContact NH2-CA 3.31Å; R416-P435 PolarHBondContact NH2-O 3.01Å
417	S	42.1	Very low	49.8	Very low	28.5 Å²	28.5	64.7 Å²	64.7	20%	0.199	40%	0.402	C	S	.	.			trans	-102.3	17.5	-173.8	-170.9	0	0	0	0	113.8	E182 R405 G415 T419 L420 S421	E182-S417 VanDerWaalsContact CD-CA 3.43Å; E182-S417 WeakPolarHBondContact OE1-CA 3.21Å; E182-S417 WeakPolarHBondContact OE1-CB 3.16Å; E182-S417 PolarHBondContact OE1-OG 2.92Å; E182-S417 VanDerWaalsContact OE2-CA 3.27Å; E182-S417 WeakPolarHBondContact OE2-CA 3.21Å; E182-S417 WeakPolarHBondContact OE2-CB 3.19Å; E182-S417 PolarHBondContact OE2-N 2.78Å; R405-S417 WeakPolarHBondContact O-CB 3.22Å; G415-S417 VanDerWaalsContact C-N 3.26Å; G415-S417 PolarHBondContact O-N 2.97Å; S417-T419 PolarHBondContact O-N 3.28Å; S417-L420 PolarHBondContact O-N 3.38Å; S417-S421 PolarHBondContact O-N 2.95Å
418	S	33.3	Very low	47.3	Very low	47.5 Å²	47.5	66.7 Å²	66.7	33%	0.332	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-78.9	7.3	179.7	66.4	0	0	0	0	114.2	G414 G415 R416 Y478	G414-S418 WeakPolarHBondContact CA-OG 3.46Å; G415-S418 PolarHBondContact N-OG 3.14Å; G415-S418 WeakPolarHBondContact O-CB 3.17Å; G415-S418 PolarHBondContact O-N 3.47Å; G415-S418 PolarHBondContact O-OG 2.87Å; R416-S418 VanDerWaalsContact C-N 3.27Å; R416-S418 PolarHBondContact O-N 2.93Å; S418-Y478 WeakPolarHBondContact CB-OH 3.49Å; S418-Y478 PolarHBondContact O-OH 2.84Å; S418-Y478 PolarHBondContact OG-OH 2.9Å
419	T	33	Very low	45	Very low	116.5 Å²	116.5	72.9 Å²	72.9	72%	0.715	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-101.1	19.7	176.7	52.4	0	0	0	0	113.4	R416 S417	R416-T419 PolarHBondContact O-OG1 3.44Å; S417-T419 PolarHBondContact O-N 3.28Å
420	L	29.9	Very low	42.5	Very low	119.5 Å²	119.5	78.6 Å²	78.6	63%	0.626	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.5	14.5	175.3	-131.9	76.1	0	0	0	112.8	S417 G422	S417-L420 PolarHBondContact O-N 3.38Å; L420-G422 PolarHBondContact O-N 2.94Å
421	S	29.5	Very low	40.3	Very low	90.5 Å²	90.5	82.3 Å²	82.3	63%	0.633	49%	0.494	S	S	*	.	S	Bend	trans	-104.6	101.5	171	-65.3	0	0	0	0	110	S417 L423	S417-S421 PolarHBondContact O-N 2.95Å; S421-L423 PolarHBondContact O-N 3.48Å
422	G	27.9	Very low	38.3	Very low	49 Å²	49	89.7 Å²	89.7	51%	0.505	53%	0.528	S	S	.	.	S	Bend	trans	-171.4	26.1	177.2	0	0	0	0	0	117.1	L420 E424 P474	L420-G422 PolarHBondContact O-N 2.94Å; G422-E424 PolarHBondContact O-N 3.36Å; G422-P474 WeakPolarHBondContact O-CG 3.4Å
423	L	29	Very low	36.6	Very low	120 Å²	120	94.3 Å²	94.3	63%	0.628	55%	0.551	S	S	*	*			trans	-108.5	125.5	172.4	-110.8	92	0	0	0	112	S421 G425 P472	S421-L423 PolarHBondContact O-N 3.48Å; L423-G425 PolarHBondContact O-N 3.16Å; L423-P472 HydrophobicContact CD1-CB 3.95Å; L423-P472 HydrophobicContact CD1-CG 3.79Å
424	E	27.6	Very low	35.1	Very low	139.5 Å²	139.5	98.6 Å²	98.6	65%	0.652	57%	0.566	S	S	*	*	S	Bend	trans	-2.4	83.3	164.1	-70.3	-171.5	178	0	0	114	G422 N476 R479	G422-E424 PolarHBondContact O-N 3.36Å; E424-N476 PolarHBondContact OE1-ND2 3.35Å; E424-N476 PolarHBondContact OE2-ND2 2.69Å; E424-R479 VanDerWaalsContact CD-NH2 3.32Å; E424-R479 IonicContact OE1-NH2 3.29Å; E424-R479 PolarHBondContact OE1-NH2 3.44Å; E424-R479 IonicContact OE2-CZ 2.63Å; E424-R479 IonicContact OE2-NH2 2.84Å; E424-R479 PolarHBondContact OE2-NH2 2.82Å
425	G	28.8	Very low	34.1	Very low	42 Å²	42	101.7 Å²	101.7	43%	0.433	58%	0.583	S	S	.	*			trans	126.3	129.1	162.3	0	0	0	0	0	114.9	L423 V427	L423-G425 PolarHBondContact O-N 3.16Å; G425-V427 PolarHBondContact O-N 3.17Å
426	P	28.6	Very low	33.7	Very low	102 Å²	102	107.5 Å²	107.5	66%	0.662	61%	0.609	S	S	*	*			trans	-75	89.9	174.1	31.1	-33.5	0	0	0	110.2	V122 A428	V122-P426 HydrophobicContact CG2-CG 4.31Å; P426-A428 PolarHBondContact O-N 3.21Å
427	V	28.9	Very low	34.2	Very low	127 Å²	127	103.6 Å²	103.6	77%	0.77	60%	0.599	S	S	*	*			trans	-59	118.8	167	-179.1	0	0	0	0	107.6	G425 F429	G425-V427 PolarHBondContact O-N 3.17Å; V427-F429 PolarHBondContact O-N 3.11Å; V427-F429 VanDerWaalsContact O-N 3.16Å
428	A	27.5	Very low	35.7	Very low	73.5 Å²	73.5	110.5 Å²	110.5	61%	0.607	62%	0.621	S	S	*	*			trans	-57.8	132.5	-163.9	0	0	0	0	0	112.9	P426 N430	P426-A428 PolarHBondContact O-N 3.21Å; A428-N430 CarbonylContact O-C 3.14Å; A428-N430 PolarHBondContact O-N 3.41Å; A428-N430 VanDerWaalsContact O-N 3.08Å
429	F	28.4	Very low	37.8	Very low	184 Å²	184	110.5 Å²	110.5	81%	0.807	61%	0.614	S	S	*	*	S	Bend	trans	-67.7	22.9	-178.1	-137.3	-89.1	0	0	0	112.5	I102 V427 N431	I102-F429 HydrophobicContact CD1-CD1 3.6Å; I102-F429 HydrophobicContact CD1-CE1 4.01Å; V427-F429 PolarHBondContact O-N 3.11Å; V427-F429 VanDerWaalsContact O-N 3.16Å; F429-N431 VanDerWaalsContact C-N 3.32Å; F429-N431 PolarHBondContact O-N 3Å; F429-N431 VanDerWaalsContact O-N 3.12Å
430	N	26.7	Very low	40	Very low	120.5 Å²	120.5	106.1 Å²	106.1	64%	0.644	59%	0.585	S	S	*	*			trans	-114.9	54.4	179.2	-106.2	-6.2	0	0	0	113.8	A428 Q432	A428-N430 CarbonylContact O-C 3.14Å; A428-N430 PolarHBondContact O-N 3.41Å; A428-N430 VanDerWaalsContact O-N 3.08Å; N430-Q432 PolarHBondContact O-N 2.78Å; N430-Q432 WeakPolarHBondContact OD1-CG 3.41Å; N430-Q432 PolarHBondContact OD1-NE2 3.03Å
431	N	29.4	Very low	42.3	Very low	127 Å²	127	103 Å²	103	68%	0.679	57%	0.573	S	S	*	*			trans	-110.5	100	159.1	-161.8	1	0	0	0	110.1	F429 L433	F429-N431 VanDerWaalsContact C-N 3.32Å; F429-N431 PolarHBondContact O-N 3Å; F429-N431 VanDerWaalsContact O-N 3.12Å; N431-L433 PolarHBondContact O-N 2.88Å
432	Q	33.2	Very low	44.4	Very low	166 Å²	166	102.8 Å²	102.8	78%	0.776	57%	0.565	S	S	*	*			trans	-74.2	14.9	-178.8	-62.5	-178.1	-5.9	0	0	113.1	N430 N434 P435	N430-Q432 PolarHBondContact O-N 2.78Å; N430-Q432 WeakPolarHBondContact OD1-CG 3.41Å; N430-Q432 PolarHBondContact OD1-NE2 3.03Å; Q432-N434 PolarHBondContact O-N 3.27Å; Q432-P435 WeakPolarHBondContact O-CD 3.29Å
433	L	36.5	Very low	46.6	Very low	121.5 Å²	121.5	103.3 Å²	103.3	64%	0.636	55%	0.552	S	S	*	*	S	Bend	trans	-113.9	38	-166.6	-69	173.2	0	0	0	112.1	N431 P435	N431-L433 PolarHBondContact O-N 2.88Å; L433-P435 WeakPolarHBondContact O-CD 3.38Å
434	N	37.5	Very low	48.9	Very low	119.5 Å²	119.5	100.1 Å²	100.1	64%	0.639	54%	0.538	S	S	*	.			trans	-121.3	76.7	154.9	-154.7	-11.7	0	0	0	109.4	R416 Q432 N436 V437	R416-N434 PolarHBondContact NH2-O 3.37Å; Q432-N434 PolarHBondContact O-N 3.27Å; N434-N436 VanDerWaalsContact C-N 3.28Å; N434-N436 PolarHBondContact O-N 3.08Å; N434-V437 HydrophobicContact CB-CG2 3.95Å; N434-V437 WeakPolarHBondContact OD1-CG2 3.37Å
435	P	42.7	Very low	51.4	Low	90.5 Å²	90.5	94 Å²	94	59%	0.588	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	60.6	-169.5	28.5	-34.8	0	0	0	111.6	R416 Q432 L433 V437	R416-P435 VanDerWaalsContact NH2-CA 3.31Å; R416-P435 PolarHBondContact NH2-O 3.01Å; Q432-P435 WeakPolarHBondContact O-CD 3.29Å; L433-P435 WeakPolarHBondContact O-CD 3.38Å; P435-V437 VanDerWaalsContact O-CA 3.25Å; P435-V437 WeakPolarHBondContact O-CA 3.46Å; P435-V437 WeakPolarHBondContact O-CG2 3.38Å; P435-V437 PolarHBondContact O-N 3.41Å
436	N	54.4	Low	53.9	Low	141.5 Å²	141.5	92.6 Å²	92.6	76%	0.757	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	91.3	173.3	-118.4	-40.1	0	0	0	111	N434 R438	N434-N436 VanDerWaalsContact C-N 3.28Å; N434-N436 PolarHBondContact O-N 3.08Å; N436-R438 PolarHBondContact O-N 3.01Å
437	V	63.6	Low	56.5	Low	49.5 Å²	49.5	90.4 Å²	90.4	30%	0.3	48%	0.476	S	S	.	.			trans	-67.8	109.6	-174.4	175.5	0	0	0	0	108.4	N434 P435 W439 C446	N434-V437 HydrophobicContact CB-CG2 3.95Å; N434-V437 WeakPolarHBondContact OD1-CG2 3.37Å; P435-V437 VanDerWaalsContact O-CA 3.25Å; P435-V437 WeakPolarHBondContact O-CA 3.46Å; P435-V437 WeakPolarHBondContact O-CG2 3.38Å; P435-V437 PolarHBondContact O-N 3.41Å; V437-W439 HydrophobicContact CG1-CD2 4.48Å; V437-W439 HydrophobicContact CG1-CZ2 4.18Å; V437-W439 PolarHBondContact O-N 2.92Å; V437-W439 PolarHBondContact O-NE1 3.08Å; V437-C446 HydrophobicContact CG1-CB 3.82Å
438	R	73.7	Confident	58.9	Low	172.5 Å²	172.5	92.3 Å²	92.3	65%	0.651	47%	0.469	S	S	*	.			trans	-67.6	120.8	176.2	-173.4	176.1	177.2	127.7	2.7	109	N436 H440 D447	N436-R438 PolarHBondContact O-N 3.01Å; R438-H440 PolarHBondContact NE-CE1 3.02Å; R438-H440 VanDerWaalsContact NE-CE1 3.28Å; R438-H440 PolarHBondContact O-CD2 3.41Å; R438-H440 PolarHBondContact O-NE2 3.18Å; R438-D447 HydrophobicContact CB-CB 4.25Å; R438-D447 WeakPolarHBondContact O-CA 3.45Å; R438-D447 WeakPolarHBondContact O-CB 3.29Å; R438-D447 PolarHBondContact O-N 3.35Å
439	W	77.6	Confident	61.6	Low	49 Å²	49	88.8 Å²	88.8	19%	0.186	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	143.6	175.9	-68.4	93.6	0	0	0	110.4	R407 C409 G414 V437 Y443 C446	R407-W439 HydrophobicContact CB-CD2 4.38Å; R407-W439 HydrophobicContact CB-CH2 3.78Å; R407-W439 HydrophobicContact CB-CZ2 3.59Å; R407-W439 HydrophobicContact CB-CZ3 4.25Å; R407-W439 WeakPolarHBondContact O-CH2 3.36Å; C409-W439 HydrophobicContact CB-CH2 4.4Å; C409-W439 HydrophobicContact CB-CZ3 4.17Å; G414-W439 WeakPolarHBondContact O-CH2 3.24Å; V437-W439 HydrophobicContact CG1-CD2 4.48Å; V437-W439 HydrophobicContact CG1-CZ2 4.18Å; V437-W439 PolarHBondContact O-N 2.92Å; V437-W439 PolarHBondContact O-NE1 3.08Å; W439-Y443 HydrophobicContact CB-CD1 3.64Å; W439-Y443 HydrophobicContact CB-CE1 4.34Å; W439-Y443 HydrophobicContact CB-CG 4.45Å; W439-Y443 VanDerWaalsContact CE3-O 3.23Å; W439-Y443 AromaticContact CG-CD1 3.98Å; W439-Y443 HydrophobicContact CG-CD1 4.02Å; W439-Y443 WeakPolarHBondContact CZ3-O 3.44Å; W439-C446 HydrophobicContact CZ3-CB 4.47Å
440	H	79.4	Confident	64.4	Low	24.5 Å²	24.5	81.8 Å²	81.8	11%	0.113	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	170.7	177.5	-55	-97	0	0	0	109.4	R438 N442 Y443 T444 L445 D447 F450	R438-H440 PolarHBondContact NE-CE1 3.02Å; R438-H440 VanDerWaalsContact NE-CE1 3.28Å; R438-H440 PolarHBondContact O-CD2 3.41Å; R438-H440 PolarHBondContact O-NE2 3.18Å; H440-N442 PolarHBondContact O-N 2.98Å; H440-Y443 PolarHBondContact O-N 3.17Å; H440-T444 PolarHBondContact O-N 3.09Å; H440-L445 PolarHBondContact N-O 2.63Å; H440-L445 PolarHBondContact O-N 2.84Å; H440-L445 VanDerWaalsContact O-N 3.11Å; H440-D447 IonicContact CD2-OD1 2.92Å; H440-D447 IonicContact CE1-OD1 3.7Å; H440-D447 IonicContact NE2-OD1 3.07Å; H440-D447 PolarHBondContact NE2-OD1 3.41Å; H440-F450 HydrophobicContact CB-CB 3.92Å; H440-F450 HydrophobicContact CB-CD1 3.86Å; H440-F450 HydrophobicContact CB-CD2 3.62Å; H440-F450 HydrophobicContact CB-CE1 4.19Å; H440-F450 HydrophobicContact CB-CE2 4Å; H440-F450 HydrophobicContact CB-CG 3.54Å; H440-F450 HydrophobicContact CB-CZ 4.25Å; H440-F450 AromaticContact CD2-CD1 3.6Å; H440-F450 AromaticContact CD2-CG 3.8Å; H440-F450 AromaticContact CE1-CD1 3.49Å; H440-F450 VanDerWaalsContact CE1-CD1 3.49Å; H440-F450 WeakPolarHBondContact CE1-CD1 3.36Å; H440-F450 AromaticContact CE1-CE1 3.64Å; H440-F450 AromaticContact CG-CD1 3.35Å; H440-F450 AromaticContact CG-CE1 3.74Å; H440-F450 AromaticContact CG-CG 3.53Å; H440-F450 AromaticContact ND1-CD1 3.31Å; H440-F450 VanDerWaalsContact ND1-CD1 3.31Å; H440-F450 WeakPolarHBondContact ND1-CD1 3.37Å; H440-F450 AromaticContact ND1-CE1 3.25Å; H440-F450 VanDerWaalsContact ND1-CE1 3.28Å; H440-F450 WeakPolarHBondContact ND1-CE1 3.43Å; H440-F450 AromaticContact ND1-CG 3.94Å; H440-F450 AromaticContact ND1-CZ 3.92Å; H440-F450 AromaticContact NE2-CD1 3.68Å
441	S	76.9	Confident	67.2	Low	53.5 Å²	53.5	79.4 Å²	79.4	37%	0.374	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	60.3	179	-58.3	0	0	0	0	112.8	Y443 T444	S441-Y443 VanDerWaalsContact C-N 3.32Å; S441-Y443 PolarHBondContact O-N 3.05Å; S441-T444 WeakPolarHBondContact CB-OG1 3.24Å; S441-T444 WeakPolarHBondContact O-CB 3.31Å; S441-T444 WeakPolarHBondContact O-CG2 3.43Å; S441-T444 PolarHBondContact O-N 3.28Å; S441-T444 PolarHBondContact O-OG1 3.05Å
442	N	73.8	Confident	69.8	Low	86.5 Å²	86.5	73.8 Å²	73.8	46%	0.463	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	45.8	178.7	-51.4	-24.8	0	0	0	113.2	N399 H440 T444	N399-N442 HydrophobicContact CB-CB 4.39Å; N399-N442 WeakPolarHBondContact CB-ND2 3.31Å; N399-N442 PolarHBondContact ND2-ND2 3.33Å; N399-N442 PolarHBondContact ND2-OD1 3.07Å; H440-N442 PolarHBondContact O-N 2.98Å; N442-T444 PolarHBondContact O-N 3.38Å
443	Y	75.3	Confident	72.1	Confident	58.5 Å²	58.5	69.3 Å²	69.3	23%	0.229	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	13.9	-177.3	-47.2	-81.1	0	0	0	116.2	R407 W439 H440 S441	R407-Y443 VanDerWaalsContact CZ-CD1 3.45Å; R407-Y443 VanDerWaalsContact CZ-CE1 3.43Å; W439-Y443 HydrophobicContact CB-CD1 3.64Å; W439-Y443 HydrophobicContact CB-CE1 4.34Å; W439-Y443 HydrophobicContact CB-CG 4.45Å; W439-Y443 VanDerWaalsContact CE3-O 3.23Å; W439-Y443 AromaticContact CG-CD1 3.98Å; W439-Y443 HydrophobicContact CG-CD1 4.02Å; W439-Y443 WeakPolarHBondContact CZ3-O 3.44Å; H440-Y443 PolarHBondContact O-N 3.17Å; S441-Y443 VanDerWaalsContact C-N 3.32Å; S441-Y443 PolarHBondContact O-N 3.05Å
444	T	76	Confident	74.3	Confident	53 Å²	53	69.5 Å²	69.5	33%	0.325	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-21.2	176.6	66.7	0	0	0	0	114	C409 S410 H440 S441 N442	C409-T444 CarbonylContact C-O 3.48Å; C409-T444 VanDerWaalsContact CA-O 3.28Å; C409-T444 WeakPolarHBondContact CA-O 3.3Å; S410-T444 PolarHBondContact N-O 3.14Å; S410-T444 PolarHBondContact OG-O 2.83Å; S410-T444 VanDerWaalsContact OG-O 3.13Å; H440-T444 PolarHBondContact O-N 3.09Å; S441-T444 WeakPolarHBondContact CB-OG1 3.24Å; S441-T444 WeakPolarHBondContact O-CB 3.31Å; S441-T444 WeakPolarHBondContact O-CG2 3.43Å; S441-T444 PolarHBondContact O-N 3.28Å; S441-T444 PolarHBondContact O-OG1 3.05Å; N442-T444 PolarHBondContact O-N 3.38Å
445	L	79.6	Confident	76.3	Confident	12 Å²	12	71.6 Å²	71.6	6%	0.063	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.9	179.4	-67	179.7	0	0	0	112.1	S410 D411 H440 C449 F450	S410-L445 WeakPolarHBondContact OG-CD2 3.28Å; D411-L445 HydrophobicContact CB-CD2 3.91Å; H440-L445 PolarHBondContact N-O 2.63Å; H440-L445 PolarHBondContact O-N 2.84Å; H440-L445 VanDerWaalsContact O-N 3.11Å; L445-C449 HydrophobicContact CD2-CB 4.06Å; L445-F450 HydrophobicContact CB-CB 4.28Å; L445-F450 HydrophobicContact CD1-CD2 4.37Å
446	C	81.8	Confident	77.6	Confident	13.5 Å²	13.5	71.2 Å²	71.2	9%	0.091	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	157.6	164.8	74.1	0	0	0	0	110.6	C409 C412 V437 W439 R448 C449 F450	C409-C446 HydrophobicContact CB-CB 4.18Å; C409-C446 PolarHBondContact SG-N 3.21Å; C409-C446 VanDerWaalsContact SG-N 3.42Å; C412-C446 VanDerWaalsContact SG-SG 3.65Å; V437-C446 HydrophobicContact CG1-CB 3.82Å; W439-C446 HydrophobicContact CZ3-CB 4.47Å; C446-R448 VanDerWaalsContact C-N 3.27Å; C446-R448 PolarHBondContact O-N 3.08Å; C446-R448 VanDerWaalsContact O-N 3.14Å; C446-C449 PolarHBondContact O-N 3.05Å; C446-F450 PolarHBondContact O-N 3.02Å
447	D	83	Confident	78.6	Confident	54.5 Å²	54.5	69.1 Å²	69.1	29%	0.291	33%	0.325	S	S	.	.	H	α-helix	trans	-49.8	-43	-175.7	-166.2	85.9	0	0	0	114.3	R438 H440 C449 F450 H451	R438-D447 HydrophobicContact CB-CB 4.25Å; R438-D447 WeakPolarHBondContact O-CA 3.45Å; R438-D447 WeakPolarHBondContact O-CB 3.29Å; R438-D447 PolarHBondContact O-N 3.35Å; H440-D447 IonicContact CD2-OD1 2.92Å; H440-D447 IonicContact CE1-OD1 3.7Å; H440-D447 IonicContact NE2-OD1 3.07Å; H440-D447 PolarHBondContact NE2-OD1 3.41Å; D447-C449 VanDerWaalsContact C-N 3.35Å; D447-C449 PolarHBondContact O-N 3.03Å; D447-F450 PolarHBondContact O-N 3.04Å; D447-H451 VanDerWaalsContact CG-ND1 3.35Å; D447-H451 WeakPolarHBondContact O-CB 3.01Å; D447-H451 PolarHBondContact O-N 3.03Å; D447-H451 PolarHBondContact O-ND1 3.36Å; D447-H451 VanDerWaalsContact O-ND1 3.09Å; D447-H451 IonicContact OD1-CE1 3.09Å; D447-H451 PolarHBondContact OD1-CE1 3.22Å; D447-H451 VanDerWaalsContact OD1-CE1 3.3Å; D447-H451 IonicContact OD1-ND1 3.37Å; D447-H451 PolarHBondContact OD1-ND1 3.17Å; D447-H451 IonicContact OD2-CE1 3.24Å; D447-H451 PolarHBondContact OD2-CE1 3.04Å; D447-H451 IonicContact OD2-ND1 2.83Å; D447-H451 PolarHBondContact OD2-ND1 3.06Å
448	R	80.8	Confident	79.3	Confident	167 Å²	167	67.6 Å²	67.6	63%	0.63	32%	0.317	S	S	*	.	H	α-helix	trans	-60.7	-41.6	178.6	-178.4	178.8	170.1	172.8	-5.2	112.6	C446 A452 R468	C446-R448 VanDerWaalsContact C-N 3.27Å; C446-R448 PolarHBondContact O-N 3.08Å; C446-R448 VanDerWaalsContact O-N 3.14Å; R448-A452 PolarHBondContact O-N 3.33Å; R448-R468 PolarHBondContact NH2-O 3.2Å
449	C	83.6	Confident	79.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-76	-42	179.9	-63	0	0	0	0	111.2	C409 D411 C412 L445 C446 D447 H451 A452 H453 C469	C409-C449 VanDerWaalsContact SG-SG 3.65Å; D411-C449 HydrophobicContact CB-CB 3.68Å; D411-C449 VanDerWaalsContact CB-SG 3.57Å; C412-C449 PolarHBondContact SG-SG 3.09Å; L445-C449 HydrophobicContact CD2-CB 4.06Å; C446-C449 PolarHBondContact O-N 3.05Å; D447-C449 VanDerWaalsContact C-N 3.35Å; D447-C449 PolarHBondContact O-N 3.03Å; C449-H451 VanDerWaalsContact C-N 3.3Å; C449-H451 PolarHBondContact O-N 3.01Å; C449-A452 CarbonylContact O-C 3.59Å; C449-A452 WeakPolarHBondContact O-CA 3.3Å; C449-A452 WeakPolarHBondContact O-CB 3.41Å; C449-A452 PolarHBondContact O-N 3.06Å; C449-H453 PolarHBondContact O-CD2 2.89Å; C449-H453 PolarHBondContact O-N 2.98Å; C449-C469 WeakPolarHBondContact SG-CB 3.27Å
450	F	87	Confident	80.2	Confident	37.5 Å²	37.5	57.9 Å²	57.9	16%	0.164	28%	0.283	C	S	.	.	H	α-helix	trans	-57.8	-41.8	173.8	-177.3	-114.7	0	0	0	112.4	H440 L445 C446 D447 A452 H453 K454 Y638	H440-F450 HydrophobicContact CB-CB 3.92Å; H440-F450 HydrophobicContact CB-CD1 3.86Å; H440-F450 HydrophobicContact CB-CD2 3.62Å; H440-F450 HydrophobicContact CB-CE1 4.19Å; H440-F450 HydrophobicContact CB-CE2 4Å; H440-F450 HydrophobicContact CB-CG 3.54Å; H440-F450 HydrophobicContact CB-CZ 4.25Å; H440-F450 AromaticContact CD2-CD1 3.6Å; H440-F450 AromaticContact CD2-CG 3.8Å; H440-F450 AromaticContact CE1-CD1 3.49Å; H440-F450 VanDerWaalsContact CE1-CD1 3.49Å; H440-F450 WeakPolarHBondContact CE1-CD1 3.36Å; H440-F450 AromaticContact CE1-CE1 3.64Å; H440-F450 AromaticContact CG-CD1 3.35Å; H440-F450 AromaticContact CG-CE1 3.74Å; H440-F450 AromaticContact CG-CG 3.53Å; H440-F450 AromaticContact ND1-CD1 3.31Å; H440-F450 VanDerWaalsContact ND1-CD1 3.31Å; H440-F450 WeakPolarHBondContact ND1-CD1 3.37Å; H440-F450 AromaticContact ND1-CE1 3.25Å; H440-F450 VanDerWaalsContact ND1-CE1 3.28Å; H440-F450 WeakPolarHBondContact ND1-CE1 3.43Å; H440-F450 AromaticContact ND1-CG 3.94Å; H440-F450 AromaticContact ND1-CZ 3.92Å; H440-F450 AromaticContact NE2-CD1 3.68Å; L445-F450 HydrophobicContact CB-CB 4.28Å; L445-F450 HydrophobicContact CD1-CD2 4.37Å; C446-F450 PolarHBondContact O-N 3.02Å; D447-F450 PolarHBondContact O-N 3.04Å; F450-A452 VanDerWaalsContact C-N 3.29Å; F450-A452 PolarHBondContact O-N 3.27Å; F450-H453 PolarHBondContact O-N 3.01Å; F450-K454 PolarHBondContact O-N 2.84Å; F450-Y638 HydrophobicContact CZ-CE1 4.25Å
451	H	84.8	Confident	80.4	Confident	69.5 Å²	69.5	57 Å²	57	32%	0.322	28%	0.279	S	S	.	.	H	α-helix	trans	-72.8	-15.8	173.6	-75	112.6	0	0	0	114.6	D447 C449 K454 R455	D447-H451 VanDerWaalsContact CG-ND1 3.35Å; D447-H451 WeakPolarHBondContact O-CB 3.01Å; D447-H451 PolarHBondContact O-N 3.03Å; D447-H451 PolarHBondContact O-ND1 3.36Å; D447-H451 VanDerWaalsContact O-ND1 3.09Å; D447-H451 IonicContact OD1-CE1 3.09Å; D447-H451 PolarHBondContact OD1-CE1 3.22Å; D447-H451 VanDerWaalsContact OD1-CE1 3.3Å; D447-H451 IonicContact OD1-ND1 3.37Å; D447-H451 PolarHBondContact OD1-ND1 3.17Å; D447-H451 IonicContact OD2-CE1 3.24Å; D447-H451 PolarHBondContact OD2-CE1 3.04Å; D447-H451 IonicContact OD2-ND1 2.83Å; D447-H451 PolarHBondContact OD2-ND1 3.06Å; C449-H451 VanDerWaalsContact C-N 3.3Å; C449-H451 PolarHBondContact O-N 3.01Å; H451-K454 PolarHBondContact CD2-NZ 3.27Å; H451-K454 PolarHBondContact NE2-NZ 2.86Å; H451-R455 PolarHBondContact O-NH1 2.88Å
452	A	84.2	Confident	80.7	Confident	9 Å²	9	56.1 Å²	56.1	7%	0.074	27%	0.271	C	S	.	.	H	α-helix	trans	-84.5	-35.1	170.9	0	0	0	0	0	112.5	R448 C449 F450 K454 R455 S458 A466	R448-A452 PolarHBondContact O-N 3.33Å; C449-A452 CarbonylContact O-C 3.59Å; C449-A452 WeakPolarHBondContact O-CA 3.3Å; C449-A452 WeakPolarHBondContact O-CB 3.41Å; C449-A452 PolarHBondContact O-N 3.06Å; F450-A452 VanDerWaalsContact C-N 3.29Å; F450-A452 PolarHBondContact O-N 3.27Å; A452-K454 VanDerWaalsContact C-N 3.32Å; A452-K454 PolarHBondContact O-N 3.18Å; A452-R455 PolarHBondContact O-N 3Å; A452-R455 VanDerWaalsContact O-N 3.17Å; A452-S458 PolarHBondContact O-OG 3.08Å; A452-A466 HydrophobicContact CB-CB 3.44Å; A452-A466 VanDerWaalsContact CB-CB 3.44Å
453	H	81.6	Confident	81.2	Confident	72 Å²	72	53.9 Å²	53.9	33%	0.333	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-36.1	171.4	-89	-82.5	0	0	0	112.9	D411 C449 F450 R455 E464	D411-H453 VanDerWaalsContact CG-NE2 3.3Å; D411-H453 IonicContact OD1-CD2 2.71Å; D411-H453 IonicContact OD1-CE1 2.81Å; D411-H453 IonicContact OD1-NE2 2.75Å; D411-H453 PolarHBondContact OD1-NE2 3.13Å; D411-H453 IonicContact OD2-CD2 3.31Å; D411-H453 PolarHBondContact OD2-CD2 3Å; D411-H453 IonicContact OD2-NE2 3.35Å; D411-H453 PolarHBondContact OD2-NE2 2.79Å; C449-H453 PolarHBondContact O-CD2 2.89Å; C449-H453 PolarHBondContact O-N 2.98Å; F450-H453 PolarHBondContact O-N 3.01Å; H453-R455 PolarHBondContact O-N 3.12Å; H453-E464 PolarHBondContact CE1-O 3.13Å; H453-E464 VanDerWaalsContact CE1-O 3.22Å
454	K	82.5	Confident	81.4	Confident	125 Å²	125	55 Å²	55	54%	0.543	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-4.7	174.1	-70.1	177.4	-175.2	172.9	0	114.9	F450 H451 A452	F450-K454 PolarHBondContact O-N 2.84Å; H451-K454 PolarHBondContact CD2-NZ 3.27Å; H451-K454 PolarHBondContact NE2-NZ 2.86Å; A452-K454 VanDerWaalsContact C-N 3.32Å; A452-K454 PolarHBondContact O-N 3.18Å
455	R	80	Confident	81.6	Confident	164.5 Å²	164.5	56.5 Å²	56.5	62%	0.621	27%	0.269	S	S	*	.	S	Bend	trans	-124.4	112.6	-175.8	-75.4	175.4	-178.8	135	-7.1	110.2	H451 A452 H453 N457 S458	H451-R455 PolarHBondContact O-NH1 2.88Å; A452-R455 PolarHBondContact O-N 3Å; A452-R455 VanDerWaalsContact O-N 3.17Å; H453-R455 PolarHBondContact O-N 3.12Å; R455-N457 PolarHBondContact O-N 3.16Å; R455-S458 WeakPolarHBondContact CB-OG 3.26Å; R455-S458 PolarHBondContact O-N 3.37Å; R455-S458 PolarHBondContact O-OG 3.4Å; R455-S458 VanDerWaalsContact O-OG 3.05Å
456	P	69.9	Low	81.4	Confident	82 Å²	82	55.9 Å²	55.9	53%	0.532	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	3.8	-168.1	29	-37.3	0	0	0	116	R498	P456-R498 PolarHBondContact O-NE 3.27Å; P456-R498 PolarHBondContact O-NH2 2.78Å
457	N	74.9	Confident	80.8	Confident	98.5 Å²	98.5	56.1 Å²	56.1	53%	0.527	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-4.5	176.6	-68.7	83.5	0	0	0	113.5	R455 W467	R455-N457 PolarHBondContact O-N 3.16Å; N457-W467 PolarHBondContact O-NE1 3.36Å
458	S	80.1	Confident	80	Confident	18 Å²	18	61 Å²	61	13%	0.126	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	0.2	174	32.8	0	0	0	0	114.5	A452 R455 A466 W467	A452-S458 PolarHBondContact O-OG 3.08Å; R455-S458 WeakPolarHBondContact CB-OG 3.26Å; R455-S458 PolarHBondContact O-N 3.37Å; R455-S458 PolarHBondContact O-OG 3.4Å; R455-S458 VanDerWaalsContact O-OG 3.05Å; S458-A466 CarbonylContact O-C 3.33Å; S458-A466 VanDerWaalsContact O-CA 3.27Å; S458-A466 WeakPolarHBondContact O-CA 3.28Å; S458-W467 WeakPolarHBondContact O-CB 3.46Å; S458-W467 PolarHBondContact O-N 3.36Å
459	C	84.1	Confident	79.2	Confident	15.5 Å²	15.5	53.7 Å²	53.7	11%	0.105	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-96.1	142.3	170.4	-63.4	0	0	0	0	111.5	E464 R465	C459-E464 VanDerWaalsContact CB-O 3.3Å; C459-E464 WeakPolarHBondContact CB-O 3.35Å; C459-E464 PolarHBondContact SG-O 3.36Å; C459-R465 WeakPolarHBondContact CA-O 3.47Å
460	C	85	Confident	77.9	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.007	26%	0.26	C	S	.	.			trans	-64.4	134.2	168.7	176.8	0	0	0	0	110	V462 E464 R465 M499 H501	C460-V462 PolarHBondContact O-N 3Å; C460-V462 PolarHBondContact SG-N 3.3Å; C460-E464 WeakPolarHBondContact O-CA 3.25Å; C460-E464 PolarHBondContact O-N 3.03Å; C460-R465 PolarHBondContact N-O 2.86Å; C460-M499 WeakPolarHBondContact CA-O 3.43Å; C460-H501 VanDerWaalsContact CB-CE1 3.47Å; C460-H501 WeakPolarHBondContact CB-CE1 3.31Å
461	P	84.2	Confident	76.2	Confident	5.5 Å²	5.5	56 Å²	56	4%	0.036	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.6	-179.8	29.5	-33.9	0	0	0	113.5	R498 M499 V500 C533 V535	P461-R498 HydrophobicContact CB-CB 4.37Å; P461-R498 HydrophobicContact CG-CB 4.1Å; P461-M499 WeakPolarHBondContact CD-O 3.32Å; P461-V500 HydrophobicContact CG-CG2 3.69Å; P461-C533 HydrophobicContact CG-CB 4.16Å; P461-V535 WeakPolarHBondContact O-CG2 3.46Å
462	V	83.3	Confident	74.3	Confident	35.5 Å²	35.5	55.9 Å²	55.9	22%	0.215	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-65.2	-179.5	-177.8	0	0	0	0	110.3	C460 V500 C504 P534	C460-V462 PolarHBondContact O-N 3Å; C460-V462 PolarHBondContact SG-N 3.3Å; V462-V500 HydrophobicContact CG2-CG1 3.88Å; V462-C504 HydrophobicContact CB-CB 3.95Å; V462-C504 HydrophobicContact CG1-CB 4.18Å; V462-C504 HydrophobicContact CG2-CB 4.31Å; V462-P534 HydrophobicContact CG2-CG 4.37Å
463	C	83.3	Confident	72.4	Confident	39 Å²	39	59.4 Å²	59.4	26%	0.264	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	2.3	-174.9	73.1	0	0	0	0	115.4	R465 H501 C504	C463-R465 PolarHBondContact O-N 3.04Å; C463-H501 PolarHBondContact SG-CE1 3.12Å; C463-H501 PolarHBondContact SG-ND1 3Å; C463-H501 VanDerWaalsContact SG-ND1 3.43Å; C463-C504 VanDerWaalsContact CB-SG 3.59Å; C463-C504 PolarHBondContact SG-SG 3.03Å
464	E	80.1	Confident	70.3	Confident	81.5 Å²	81.5	58.2 Å²	58.2	38%	0.381	29%	0.293	S	S	.	.			trans	59	-11.2	179.8	-52.7	-150.6	120.1	0	0	118.2	H453 C459 C460 R555	H453-E464 PolarHBondContact CE1-O 3.13Å; H453-E464 VanDerWaalsContact CE1-O 3.22Å; C459-E464 VanDerWaalsContact CB-O 3.3Å; C459-E464 WeakPolarHBondContact CB-O 3.35Å; C459-E464 PolarHBondContact SG-O 3.36Å; C460-E464 WeakPolarHBondContact O-CA 3.25Å; C460-E464 PolarHBondContact O-N 3.03Å; E464-R555 VanDerWaalsContact CD-CZ 3.45Å; E464-R555 IonicContact OE1-CZ 3Å; E464-R555 IonicContact OE1-NH1 3.33Å; E464-R555 PolarHBondContact OE1-NH1 3.15Å; E464-R555 IonicContact OE1-NH2 3.34Å; E464-R555 PolarHBondContact OE1-NH2 3.23Å; E464-R555 IonicContact OE2-CZ 2.85Å; E464-R555 IonicContact OE2-NH1 3.04Å; E464-R555 PolarHBondContact OE2-NH1 3.03Å; E464-R555 IonicContact OE2-NH2 3.67Å; E464-R555 PolarHBondContact OE2-NH2 2.87Å
465	R	78.9	Confident	68.1	Low	84.5 Å²	84.5	59.5 Å²	59.5	32%	0.319	30%	0.301	S	S	.	.	S	Bend	trans	-59.6	152.6	174.2	-62.6	179.8	159.8	94.6	0.7	113.4	R176 S410 D411 C459 C460 C463 W467 S470	R176-R465 VanDerWaalsContact NH2-CZ 3.28Å; R176-R465 VanDerWaalsContact NH2-NE 3.14Å; S410-R465 WeakPolarHBondContact O-CD 3.01Å; S410-R465 VanDerWaalsContact O-CZ 3.25Å; S410-R465 PolarHBondContact O-NE 3.05Å; S410-R465 PolarHBondContact O-NH2 2.67Å; D411-R465 WeakPolarHBondContact OD1-CA 3.18Å; D411-R465 WeakPolarHBondContact OD1-CB 3.46Å; D411-R465 WeakPolarHBondContact OD1-CG 3.45Å; C459-R465 WeakPolarHBondContact CA-O 3.47Å; C460-R465 PolarHBondContact N-O 2.86Å; C463-R465 PolarHBondContact O-N 3.04Å; R465-W467 PolarHBondContact O-N 3.14Å; R465-W467 VanDerWaalsContact O-N 3.12Å; R465-S470 WeakPolarHBondContact CB-OG 2.93Å
466	A	77.4	Confident	66.2	Low	0.5 Å²	0.5	55.4 Å²	55.4	0%	0.004	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-66.1	104.9	179.2	0	0	0	0	0	113.5	D411 A452 S458 R468 C469 S470	D411-A466 WeakPolarHBondContact OD2-CB 3.35Å; D411-A466 PolarHBondContact OD2-N 3.04Å; A452-A466 HydrophobicContact CB-CB 3.44Å; A452-A466 VanDerWaalsContact CB-CB 3.44Å; S458-A466 CarbonylContact O-C 3.33Å; S458-A466 VanDerWaalsContact O-CA 3.27Å; S458-A466 WeakPolarHBondContact O-CA 3.28Å; A466-R468 VanDerWaalsContact C-N 3.28Å; A466-R468 PolarHBondContact O-N 3.29Å; A466-R468 VanDerWaalsContact O-N 3.13Å; A466-C469 HydrophobicContact CB-CB 3.98Å; A466-C469 WeakPolarHBondContact O-CA 3.46Å; A466-C469 WeakPolarHBondContact O-CB 3.39Å; A466-C469 PolarHBondContact O-N 3.48Å; A466-S470 PolarHBondContact O-N 3.34Å; A466-S470 PolarHBondContact O-OG 3.44Å
467	W	67.8	Low	64.6	Low	18.5 Å²	18.5	56.8 Å²	56.8	7%	0.07	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-34.1	-172.6	123.1	-114.3	0	0	0	115.2	N457 S458 R465 C469 W488 M499 H501	N457-W467 PolarHBondContact O-NE1 3.36Å; S458-W467 WeakPolarHBondContact O-CB 3.46Å; S458-W467 PolarHBondContact O-N 3.36Å; R465-W467 PolarHBondContact O-N 3.14Å; R465-W467 VanDerWaalsContact O-N 3.12Å; W467-C469 VanDerWaalsContact C-N 3.3Å; W467-C469 PolarHBondContact O-N 2.71Å; W467-W488 HydrophobicContact CB-CH2 4.02Å; W467-W488 HydrophobicContact CB-CZ2 3.63Å; W467-W488 HydrophobicContact CD2-CZ2 4.26Å; W467-W488 AromaticContact CE3-CD2 3.92Å; W467-W488 HydrophobicContact CE3-CD2 3.92Å; W467-W488 AromaticContact CE3-CE2 3.57Å; W467-W488 HydrophobicContact CE3-CE3 4.41Å; W467-W488 HydrophobicContact CE3-CG 4.31Å; W467-W488 HydrophobicContact CE3-CH2 4.23Å; W467-W488 AromaticContact CE3-CZ2 3.73Å; W467-W488 HydrophobicContact CE3-CZ2 3.73Å; W467-W488 AromaticContact CE3-NE1 3.78Å; W467-W488 HydrophobicContact CG-CZ2 4.27Å; W467-W488 HydrophobicContact CH2-CB 3.81Å; W467-W488 HydrophobicContact CZ2-CB 3.58Å; W467-W488 WeakPolarHBondContact CZ2-O 3.39Å; W467-W488 HydrophobicContact CZ3-CD2 4.13Å; W467-W488 HydrophobicContact CZ3-CG 4.19Å; W467-W488 WeakPolarHBondContact O-CZ2 3.43Å; W467-W488 PolarHBondContact O-NE1 3.24Å; W467-M499 HydrophobicContact CB-CB 4.39Å; W467-M499 VanDerWaalsContact CD1-CG 3.46Å; W467-M499 HydrophobicContact CD2-CB 3.63Å; W467-M499 HydrophobicContact CD2-CG 4.04Å; W467-M499 HydrophobicContact CE3-CB 4.26Å; W467-M499 HydrophobicContact CE3-CG 3.97Å; W467-M499 HydrophobicContact CG-CB 3.65Å; W467-M499 VanDerWaalsContact CG-CB 3.5Å; W467-M499 HydrophobicContact CG-CG 4.18Å; W467-M499 HydrophobicContact CH2-CG 3.77Å; W467-M499 HydrophobicContact CZ2-CB 4.41Å; W467-M499 HydrophobicContact CZ2-CE 4Å; W467-M499 HydrophobicContact CZ2-CG 3.42Å; W467-M499 VanDerWaalsContact CZ2-CG 3.42Å; W467-M499 HydrophobicContact CZ3-CG 4.03Å; W467-H501 WeakPolarHBondContact CA-NE2 3.3Å; W467-H501 HydrophobicContact CE3-CB 4.41Å; W467-H501 AromaticContact CE3-CD2 3.28Å; W467-H501 AromaticContact CE3-CG 3.82Å; W467-H501 AromaticContact CE3-NE2 3.72Å; W467-H501 VanDerWaalsContact CZ3-CA 3.48Å; W467-H501 HydrophobicContact CZ3-CB 4Å; W467-H501 AromaticContact CZ3-CD2 3.4Å; W467-H501 VanDerWaalsContact CZ3-CD2 3.4Å; W467-H501 WeakPolarHBondContact CZ3-CD2 3.47Å; W467-H501 AromaticContact CZ3-CG 3.85Å
468	R	67.3	Low	62.9	Low	157.5 Å²	157.5	60.8 Å²	60.8	59%	0.594	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	3.9	178.3	-72	-171.2	172.8	-85.5	7.3	114	R448 A466	R448-R468 PolarHBondContact NH2-O 3.2Å; A466-R468 VanDerWaalsContact C-N 3.28Å; A466-R468 PolarHBondContact O-N 3.29Å; A466-R468 VanDerWaalsContact O-N 3.13Å
469	C	63.1	Low	60.7	Low	13 Å²	13	69.3 Å²	69.3	9%	0.088	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-25.5	-173.5	-52.1	0	0	0	0	112.5	C412 C449 A466 W467 L471	C412-C469 WeakPolarHBondContact CA-O 3.22Å; C412-C469 HydrophobicContact CB-CB 4Å; C412-C469 WeakPolarHBondContact CB-O 3.41Å; C449-C469 WeakPolarHBondContact SG-CB 3.27Å; A466-C469 HydrophobicContact CB-CB 3.98Å; A466-C469 WeakPolarHBondContact O-CA 3.46Å; A466-C469 WeakPolarHBondContact O-CB 3.39Å; A466-C469 PolarHBondContact O-N 3.48Å; W467-C469 VanDerWaalsContact C-N 3.3Å; W467-C469 PolarHBondContact O-N 2.71Å; C469-L471 PolarHBondContact O-N 3.2Å
470	S	55.6	Low	58.7	Low	18.5 Å²	18.5	71.3 Å²	71.3	13%	0.129	34%	0.337	C	S	.	.			trans	-57.5	93.7	164.9	-45.6	0	0	0	0	111.8	D411 R465 A466 P472 W488 H501	D411-S470 WeakPolarHBondContact O-CA 3.37Å; D411-S470 WeakPolarHBondContact O-CB 3.3Å; D411-S470 PolarHBondContact O-OG 2.77Å; R465-S470 WeakPolarHBondContact CB-OG 2.93Å; A466-S470 PolarHBondContact O-N 3.34Å; A466-S470 PolarHBondContact O-OG 3.44Å; S470-P472 WeakPolarHBondContact O-CD 3.39Å; S470-W488 WeakPolarHBondContact O-CH2 3.28Å; S470-W488 WeakPolarHBondContact O-CZ3 3.25Å; S470-H501 WeakPolarHBondContact CB-NE2 3.5Å; S470-H501 PolarHBondContact OG-CD2 3.07Å; S470-H501 VanDerWaalsContact OG-CD2 3.31Å; S470-H501 PolarHBondContact OG-NE2 3.23Å; S470-H501 VanDerWaalsContact OG-NE2 3.16Å
471	L	52.6	Low	56.5	Low	68 Å²	68	75.9 Å²	75.9	36%	0.356	37%	0.367	S	S	.	.			trans	-70.6	134.5	165.2	-82.3	162.6	0	0	0	108	C412 C469 V473 L486	C412-L471 WeakPolarHBondContact O-CD1 3.48Å; C412-L471 WeakPolarHBondContact O-CG 3.22Å; C469-L471 PolarHBondContact O-N 3.2Å; L471-V473 PolarHBondContact O-N 2.72Å; L471-L486 HydrophobicContact CD1-CD1 3.88Å; L471-L486 HydrophobicContact CD2-CD1 4.14Å
472	P	44.8	Very low	54.5	Low	66 Å²	66	79.8 Å²	79.8	43%	0.429	39%	0.388	S	S	.	.			trans	-60.1	129.1	169	-17.3	30.5	0	0	0	108.5	L423 S470 P474 W488	L423-P472 HydrophobicContact CD1-CB 3.95Å; L423-P472 HydrophobicContact CD1-CG 3.79Å; S470-P472 WeakPolarHBondContact O-CD 3.39Å; P472-P474 WeakPolarHBondContact O-CD 3.26Å; P472-W488 HydrophobicContact CB-CH2 4.2Å; P472-W488 HydrophobicContact CG-CH2 3.67Å; P472-W488 HydrophobicContact CG-CZ2 4.29Å; P472-W488 HydrophobicContact CG-CZ3 4.42Å
473	V	43.1	Very low	52.4	Low	82.5 Å²	82.5	80.7 Å²	80.7	50%	0.5	40%	0.396	S	S	.	.			trans	-75.4	118.2	164.8	-179.4	0	0	0	0	105.6	D144 L471 E475 F477	D144-V473 VanDerWaalsContact OD1-CG1 3.3Å; D144-V473 WeakPolarHBondContact OD1-CG1 3.41Å; L471-V473 PolarHBondContact O-N 2.72Å; V473-E475 PolarHBondContact O-N 2.72Å; V473-F477 HydrophobicContact CG1-CB 3.36Å; V473-F477 HydrophobicContact CG1-CD1 4.11Å; V473-F477 HydrophobicContact CG1-CG 3.85Å
474	P	39.2	Very low	50.2	Low	47 Å²	47	84.5 Å²	84.5	31%	0.305	42%	0.418	S	S	.	.			trans	-57.8	141.8	179.1	-22.8	34.4	0	0	0	111.1	D144 G422 P472 N476 F477	D144-P474 VanDerWaalsContact OD2-CD 3.27Å; D144-P474 WeakPolarHBondContact OD2-CD 3.4Å; G422-P474 WeakPolarHBondContact O-CG 3.4Å; P472-P474 WeakPolarHBondContact O-CD 3.26Å; P474-N476 VanDerWaalsContact C-N 3.26Å; P474-N476 PolarHBondContact O-N 3.12Å; P474-F477 VanDerWaalsContact O-CB 3.29Å; P474-F477 WeakPolarHBondContact O-CB 3.38Å; P474-F477 PolarHBondContact O-N 3.26Å
475	E	35.9	Very low	48	Very low	151.5 Å²	151.5	87.8 Å²	87.8	71%	0.708	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-71.1	-6.9	-174.3	-61.4	-170.6	130	0	0	112.9	V473 F477	V473-E475 PolarHBondContact O-N 2.72Å; E475-F477 VanDerWaalsContact C-N 3.28Å; E475-F477 PolarHBondContact O-N 3.16Å
476	N	39.6	Very low	46.3	Very low	78.5 Å²	78.5	88.6 Å²	88.6	42%	0.42	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-71.3	11.5	-177.9	-72.7	-24.1	0	0	0	116.9	E424 P474 Y478 R479 N480 E907	E424-N476 PolarHBondContact OE1-ND2 3.35Å; E424-N476 PolarHBondContact OE2-ND2 2.69Å; P474-N476 VanDerWaalsContact C-N 3.26Å; P474-N476 PolarHBondContact O-N 3.12Å; N476-Y478 PolarHBondContact O-N 3.32Å; N476-R479 WeakPolarHBondContact O-CA 3.41Å; N476-R479 WeakPolarHBondContact O-CB 3.17Å; N476-R479 PolarHBondContact O-N 3.11Å; N476-N480 PolarHBondContact O-N 2.83Å; N476-E907 PolarHBondContact ND2-OE1 2.7Å
477	F	37.1	Very low	44.7	Very low	112.5 Å²	112.5	93.2 Å²	93.2	49%	0.493	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-103.2	-12.3	180	-120.3	-87.5	0	0	0	114.9	R148 V473 P474 E475 R479 N480 L486	R148-F477 VanDerWaalsContact NH1-CB 3.33Å; V473-F477 HydrophobicContact CG1-CB 3.36Å; V473-F477 HydrophobicContact CG1-CD1 4.11Å; V473-F477 HydrophobicContact CG1-CG 3.85Å; P474-F477 VanDerWaalsContact O-CB 3.29Å; P474-F477 WeakPolarHBondContact O-CB 3.38Å; P474-F477 PolarHBondContact O-N 3.26Å; E475-F477 VanDerWaalsContact C-N 3.28Å; E475-F477 PolarHBondContact O-N 3.16Å; F477-R479 PolarHBondContact O-N 3.41Å; F477-N480 CarbonylContact O-C 3.59Å; F477-N480 VanDerWaalsContact O-C 3.31Å; F477-N480 WeakPolarHBondContact O-CA 3.28Å; F477-N480 PolarHBondContact O-N 3.08Å; F477-N480 VanDerWaalsContact O-O 3.07Å; F477-L486 HydrophobicContact CE2-CD1 4.36Å
478	Y	37.4	Very low	44.1	Very low	182 Å²	182	94.7 Å²	94.7	71%	0.714	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-100.7	44.7	171	-76.4	-75.6	0	0	0	112.7	S418 N476 N480	S418-Y478 WeakPolarHBondContact CB-OH 3.49Å; S418-Y478 PolarHBondContact O-OH 2.84Å; S418-Y478 PolarHBondContact OG-OH 2.9Å; N476-Y478 PolarHBondContact O-N 3.32Å; Y478-N480 VanDerWaalsContact C-N 3.28Å; Y478-N480 PolarHBondContact O-N 3.46Å
479	R	35.8	Very low	43.8	Very low	197.5 Å²	197.5	91.1 Å²	91.1	75%	0.745	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-78.2	57.8	177.3	-63.3	-177.5	175.8	-159.7	-1.3	112.3	E424 N476 F477 L895	E424-R479 VanDerWaalsContact CD-NH2 3.32Å; E424-R479 IonicContact OE1-NH2 3.29Å; E424-R479 PolarHBondContact OE1-NH2 3.44Å; E424-R479 IonicContact OE2-CZ 2.63Å; E424-R479 IonicContact OE2-NH2 2.84Å; E424-R479 PolarHBondContact OE2-NH2 2.82Å; N476-R479 WeakPolarHBondContact O-CA 3.41Å; N476-R479 WeakPolarHBondContact O-CB 3.17Å; N476-R479 PolarHBondContact O-N 3.11Å; F477-R479 PolarHBondContact O-N 3.41Å; R479-L895 CarbonylContact O-C 3.31Å; R479-L895 VanDerWaalsContact O-O 3.05Å
480	N	40.5	Very low	44.1	Very low	57 Å²	57	91.3 Å²	91.3	31%	0.305	48%	0.476	S	S	.	.			trans	-150.6	102.1	166.3	-172.6	-15.2	0	0	0	114.2	N476 F477 Y478 N482 S483 T896 T897 A904	N476-N480 PolarHBondContact O-N 2.83Å; F477-N480 CarbonylContact O-C 3.59Å; F477-N480 VanDerWaalsContact O-C 3.31Å; F477-N480 WeakPolarHBondContact O-CA 3.28Å; F477-N480 PolarHBondContact O-N 3.08Å; F477-N480 VanDerWaalsContact O-O 3.07Å; Y478-N480 VanDerWaalsContact C-N 3.28Å; Y478-N480 PolarHBondContact O-N 3.46Å; N480-N482 PolarHBondContact O-N 2.88Å; N480-N482 VanDerWaalsContact O-N 3.09Å; N480-N482 PolarHBondContact OD1-N 3.25Å; N480-S483 PolarHBondContact OD1-N 3.48Å; N480-T896 WeakPolarHBondContact CB-O 3.48Å; N480-T896 VanDerWaalsContact CG-O 3.24Å; N480-T896 PolarHBondContact ND2-O 3.22Å; N480-T896 WeakPolarHBondContact OD1-CB 3.32Å; N480-T897 WeakPolarHBondContact ND2-CG2 3.35Å; N480-T897 PolarHBondContact ND2-N 2.87Å; N480-T897 VanDerWaalsContact OD1-CG2 3.29Å; N480-T897 WeakPolarHBondContact OD1-CG2 3.49Å; N480-A904 VanDerWaalsContact ND2-CA 3.32Å; N480-A904 WeakPolarHBondContact ND2-CA 3.44Å; N480-A904 WeakPolarHBondContact ND2-CB 3.49Å
481	P	39.9	Very low	45.3	Very low	98 Å²	98	92.1 Å²	92.1	64%	0.636	48%	0.481	S	S	*	.	S	Bend	trans	-81.7	-0.4	177.9	32.8	-36.7	0	0	0	115.7	T896	P481-T896 HydrophobicContact CG-CG2 4.49Å
482	N	40.7	Very low	46.9	Very low	87 Å²	87	96.7 Å²	96.7	47%	0.465	49%	0.494	S	S	.	.			trans	-105.6	1.7	-171.8	-82.7	-13.1	0	0	0	114.9	N480 T484 H883 A893 T897	N480-N482 PolarHBondContact O-N 2.88Å; N480-N482 VanDerWaalsContact O-N 3.09Å; N480-N482 PolarHBondContact OD1-N 3.25Å; N482-T484 PolarHBondContact O-N 2.78Å; N482-T484 PolarHBondContact O-OG1 3.14Å; N482-H883 PolarHBondContact ND2-ND1 3.16Å; N482-A893 PolarHBondContact ND2-O 3.03Å; N482-T897 HydrophobicContact CB-CG2 3.79Å
483	S	40.5	Very low	48.9	Very low	54.5 Å²	54.5	93.5 Å²	93.5	38%	0.381	47%	0.474	S	S	.	.			trans	-78.2	105.5	-176.6	-172.1	0	0	0	0	112.9	N480 T897 A904	N480-S483 PolarHBondContact OD1-N 3.48Å; S483-T897 VanDerWaalsContact CA-CG2 3.42Å; S483-A904 WeakPolarHBondContact OG-CB 3.23Å
484	T	36.9	Very low	51	Low	118.5 Å²	118.5	91.9 Å²	91.9	73%	0.727	47%	0.466	S	S	*	.			trans	-105.7	9.5	-176.3	45.7	0	0	0	0	114.6	N482 N902	N482-T484 PolarHBondContact O-N 2.78Å; N482-T484 PolarHBondContact O-OG1 3.14Å; T484-N902 PolarHBondContact N-O 3.07Å; T484-N902 WeakPolarHBondContact OG1-CB 3.14Å; T484-N902 PolarHBondContact OG1-O 2.8Å
485	F	34.4	Very low	53.2	Low	150 Å²	150	94.7 Å²	94.7	66%	0.658	48%	0.475	S	S	*	.			trans	-127.8	88.5	175.5	-114.9	-94.7	0	0	0	112.8	V487 L903	F485-V487 VanDerWaalsContact C-N 3.33Å; F485-V487 HydrophobicContact CD1-CG2 3.71Å; F485-V487 HydrophobicContact CE1-CG2 3.57Å; F485-V487 PolarHBondContact O-N 3.15Å; F485-L903 HydrophobicContact CB-CD2 3.8Å; F485-L903 HydrophobicContact CB-CG 4Å; F485-L903 HydrophobicContact CD1-CD2 4.12Å; F485-L903 HydrophobicContact CG-CD2 4.44Å; F485-L903 WeakPolarHBondContact O-CD2 3.25Å
486	L	42.2	Very low	55.6	Low	102.5 Å²	102.5	89.5 Å²	89.5	54%	0.537	45%	0.454	S	S	.	.			trans	-67.8	94.1	170.1	-65.1	174	0	0	0	110.4	L471 F477 W488	L471-L486 HydrophobicContact CD1-CD1 3.88Å; L471-L486 HydrophobicContact CD2-CD1 4.14Å; F477-L486 HydrophobicContact CE2-CD1 4.36Å; L486-W488 PolarHBondContact O-N 2.83Å
487	V	45.2	Very low	57.8	Low	97 Å²	97	94.6 Å²	94.6	59%	0.588	47%	0.468	S	S	*	.			trans	-76	102.2	169.6	-179.4	0	0	0	0	108.3	F485	F485-V487 VanDerWaalsContact C-N 3.33Å; F485-V487 HydrophobicContact CD1-CG2 3.71Å; F485-V487 HydrophobicContact CE1-CG2 3.57Å; F485-V487 PolarHBondContact O-N 3.15Å
488	W	54.7	Low	60.1	Low	49 Å²	49	93 Å²	93	19%	0.186	46%	0.459	C	S	.	.			trans	-61.3	120.5	-179	-116.6	83.5	0	0	0	110.2	W467 S470 P472 L486 G490 M499 V500 H501	W467-W488 HydrophobicContact CB-CH2 4.02Å; W467-W488 HydrophobicContact CB-CZ2 3.63Å; W467-W488 HydrophobicContact CD2-CZ2 4.26Å; W467-W488 AromaticContact CE3-CD2 3.92Å; W467-W488 HydrophobicContact CE3-CD2 3.92Å; W467-W488 AromaticContact CE3-CE2 3.57Å; W467-W488 HydrophobicContact CE3-CE3 4.41Å; W467-W488 HydrophobicContact CE3-CG 4.31Å; W467-W488 HydrophobicContact CE3-CH2 4.23Å; W467-W488 AromaticContact CE3-CZ2 3.73Å; W467-W488 HydrophobicContact CE3-CZ2 3.73Å; W467-W488 AromaticContact CE3-NE1 3.78Å; W467-W488 HydrophobicContact CG-CZ2 4.27Å; W467-W488 HydrophobicContact CH2-CB 3.81Å; W467-W488 HydrophobicContact CZ2-CB 3.58Å; W467-W488 WeakPolarHBondContact CZ2-O 3.39Å; W467-W488 HydrophobicContact CZ3-CD2 4.13Å; W467-W488 HydrophobicContact CZ3-CG 4.19Å; W467-W488 WeakPolarHBondContact O-CZ2 3.43Å; W467-W488 PolarHBondContact O-NE1 3.24Å; S470-W488 WeakPolarHBondContact O-CH2 3.28Å; S470-W488 WeakPolarHBondContact O-CZ3 3.25Å; P472-W488 HydrophobicContact CB-CH2 4.2Å; P472-W488 HydrophobicContact CG-CH2 3.67Å; P472-W488 HydrophobicContact CG-CZ2 4.29Å; P472-W488 HydrophobicContact CG-CZ3 4.42Å; L486-W488 PolarHBondContact O-N 2.83Å; W488-G490 VanDerWaalsContact CZ3-C 3.41Å; W488-G490 VanDerWaalsContact CZ3-CA 3.4Å; W488-G490 WeakPolarHBondContact CZ3-O 3.1Å; W488-G490 PolarHBondContact O-N 3.06Å; W488-M499 HydrophobicContact CE3-CB 4.3Å; W488-M499 HydrophobicContact CE3-CE 3.64Å; W488-M499 HydrophobicContact CH2-CB 3.62Å; W488-M499 HydrophobicContact CZ2-CB 4.49Å; W488-M499 HydrophobicContact CZ3-CB 3.53Å; W488-M499 HydrophobicContact CZ3-CE 3.79Å; W488-M499 HydrophobicContact CZ3-CG 4.46Å; W488-V500 WeakPolarHBondContact CH2-O 3.48Å; W488-V500 WeakPolarHBondContact CZ3-O 3.43Å; W488-H501 AromaticContact CH2-CD2 3.91Å; W488-H501 AromaticContact CZ2-CD2 3.27Å; W488-H501 WeakPolarHBondContact CZ2-CD2 3.28Å; W488-H501 AromaticContact CZ2-NE2 3.87Å
489	P	61.5	Low	62.4	Low	83.5 Å²	83.5	85.7 Å²	85.7	54%	0.542	43%	0.431	S	S	.	.	S	Bend	trans	-74.4	55.7	-166.2	29.5	-36.5	0	0	0	112.8	A502	P489-A502 HydrophobicContact CB-CB 4.28Å; P489-A502 HydrophobicContact CG-CB 4.22Å; P489-A502 WeakPolarHBondContact O-CB 3.47Å; P489-A502 PolarHBondContact O-N 2.98Å; P489-A502 VanDerWaalsContact O-N 3.11Å
490	G	69.4	Low	64.6	Low	16 Å²	16	76.3 Å²	76.3	17%	0.165	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	150.1	-175	0	0	0	0	0	114	W488 M499 V500	W488-G490 VanDerWaalsContact CZ3-C 3.41Å; W488-G490 VanDerWaalsContact CZ3-CA 3.4Å; W488-G490 WeakPolarHBondContact CZ3-O 3.1Å; W488-G490 PolarHBondContact O-N 3.06Å; G490-M499 WeakPolarHBondContact O-CE 3.36Å; G490-V500 CarbonylContact C-O 3.56Å; G490-V500 VanDerWaalsContact C-O 3.3Å; G490-V500 WeakPolarHBondContact CA-O 3.35Å
491	S	79.3	Confident	66.3	Low	36 Å²	36	73.9 Å²	73.9	25%	0.252	38%	0.383	S	S	.	.			trans	-97	142.8	-166.8	-69.2	0	0	0	0	113.3	V500 Y531	S491-V500 PolarHBondContact N-O 3.11Å; S491-V500 VanDerWaalsContact N-O 3.09Å; S491-V500 PolarHBondContact O-N 3.05Å; S491-Y531 VanDerWaalsContact CB-CD1 3.42Å; S491-Y531 WeakPolarHBondContact O-CE1 3.34Å
492	R	86.1	Confident	68	Low	163.5 Å²	163.5	70.4 Å²	70.4	62%	0.617	36%	0.362	S	S	*	.	B	Isolated β-bridge	trans	-86.3	114.7	174.4	-173.5	179.2	-68.6	-175.1	1.3	110.7	S494 M499 Y531	R492-S494 PolarHBondContact O-N 3.01Å; R492-M499 HydrophobicContact CB-CE 4.26Å; R492-M499 HydrophobicContact CB-SD 3.56Å; R492-M499 VanDerWaalsContact CB-SD 3.56Å; R492-M499 HydrophobicContact CG-SD 3.89Å; R492-M499 PolarHBondContact NE-SD 3.13Å; R492-M499 VanDerWaalsContact NE-SD 3.39Å; R492-Y531 WeakPolarHBondContact O-CD1 3.47Å
493	C	87.4	Confident	69.6	Low	0 Å²	0	71 Å²	71	0%	0	36%	0.362	C	S	.	.			trans	-61.1	124.2	175.3	179.4	0	0	0	0	111.3	Q495 C496 R497 R498 Y531 C533 C536	C493-Q495 VanDerWaalsContact C-N 3.31Å; C493-Q495 PolarHBondContact O-N 2.83Å; C493-Q495 PolarHBondContact SG-N 2.76Å; C493-C496 VanDerWaalsContact CB-SG 3.56Å; C493-C496 VanDerWaalsContact SG-SG 3.66Å; C493-R497 WeakPolarHBondContact O-CA 3.2Å; C493-R497 PolarHBondContact O-N 3.18Å; C493-R498 PolarHBondContact N-O 3.23Å; C493-Y531 HydrophobicContact CB-CE1 4.36Å; C493-C533 HydrophobicContact CB-CB 3.87Å; C493-C533 PolarHBondContact SG-N 3.19Å; C493-C533 VanDerWaalsContact SG-N 3.36Å; C493-C533 VanDerWaalsContact SG-SG 3.65Å; C493-C536 VanDerWaalsContact SG-CB 3.57Å
494	S	87.3	Confident	71.4	Confident	48.5 Å²	48.5	69.2 Å²	69.2	34%	0.339	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-38.2	176.9	54.6	0	0	0	0	113.2	R492 Y531	R492-S494 PolarHBondContact O-N 3.01Å; S494-Y531 VanDerWaalsContact CB-O 3.31Å; S494-Y531 WeakPolarHBondContact CB-O 3.42Å; S494-Y531 PolarHBondContact N-O 3.15Å; S494-Y531 PolarHBondContact OG-O 3.27Å
495	Q	85.1	Confident	73.5	Confident	105.5 Å²	105.5	63.8 Å²	63.8	49%	0.493	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-60.3	-179.3	-63.2	-174.7	9.4	0	0	113.5	C493 V532 C536	C493-Q495 VanDerWaalsContact C-N 3.31Å; C493-Q495 PolarHBondContact O-N 2.83Å; C493-Q495 PolarHBondContact SG-N 2.76Å; Q495-V532 HydrophobicContact CG-CG1 4.17Å; Q495-V532 HydrophobicContact CG-CG2 4.39Å; Q495-C536 HydrophobicContact CB-CB 4.03Å; Q495-C536 HydrophobicContact CG-CB 4.46Å; Q495-C536 PolarHBondContact OE1-O 3.07Å
496	C	87.3	Confident	75.2	Confident	41.5 Å²	41.5	60 Å²	60	28%	0.28	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-5.1	-176	68.6	0	0	0	0	115.1	C493 R498 C536	C493-C496 VanDerWaalsContact CB-SG 3.56Å; C493-C496 VanDerWaalsContact SG-SG 3.66Å; C496-R498 PolarHBondContact O-N 3.01Å; C496-C536 VanDerWaalsContact CB-SG 3.54Å; C496-C536 VanDerWaalsContact SG-SG 3.62Å
497	R	85.6	Confident	76.2	Confident	186 Å²	186	58.7 Å²	58.7	70%	0.702	31%	0.306	S	S	*	.			trans	57.2	10.2	-178.8	-56.9	-177.5	178.3	-173.2	-1.4	115.7	C493	C493-R497 WeakPolarHBondContact O-CA 3.2Å; C493-R497 PolarHBondContact O-N 3.18Å
498	R	85.5	Confident	77	Confident	79 Å²	79	54.8 Å²	54.8	30%	0.298	28%	0.282	S	S	.	.			trans	-80.5	153.5	170.3	-63.9	177.2	172.1	168.2	-0.6	110.8	P456 P461 C493 C496	P456-R498 PolarHBondContact O-NE 3.27Å; P456-R498 PolarHBondContact O-NH2 2.78Å; P461-R498 HydrophobicContact CB-CB 4.37Å; P461-R498 HydrophobicContact CG-CB 4.1Å; C493-R498 PolarHBondContact N-O 3.23Å; C496-R498 PolarHBondContact O-N 3.01Å
499	M	84.9	Confident	76.9	Confident	29 Å²	29	57.7 Å²	57.7	14%	0.143	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-88.6	145.9	174.3	-56.7	-63.2	-55.8	0	0	110	C460 P461 W467 W488 G490 R492	C460-M499 WeakPolarHBondContact CA-O 3.43Å; P461-M499 WeakPolarHBondContact CD-O 3.32Å; W467-M499 HydrophobicContact CB-CB 4.39Å; W467-M499 VanDerWaalsContact CD1-CG 3.46Å; W467-M499 HydrophobicContact CD2-CB 3.63Å; W467-M499 HydrophobicContact CD2-CG 4.04Å; W467-M499 HydrophobicContact CE3-CB 4.26Å; W467-M499 HydrophobicContact CE3-CG 3.97Å; W467-M499 HydrophobicContact CG-CB 3.65Å; W467-M499 VanDerWaalsContact CG-CB 3.5Å; W467-M499 HydrophobicContact CG-CG 4.18Å; W467-M499 HydrophobicContact CH2-CG 3.77Å; W467-M499 HydrophobicContact CZ2-CB 4.41Å; W467-M499 HydrophobicContact CZ2-CE 4Å; W467-M499 HydrophobicContact CZ2-CG 3.42Å; W467-M499 VanDerWaalsContact CZ2-CG 3.42Å; W467-M499 HydrophobicContact CZ3-CG 4.03Å; W488-M499 HydrophobicContact CE3-CB 4.3Å; W488-M499 HydrophobicContact CE3-CE 3.64Å; W488-M499 HydrophobicContact CH2-CB 3.62Å; W488-M499 HydrophobicContact CZ2-CB 4.49Å; W488-M499 HydrophobicContact CZ3-CB 3.53Å; W488-M499 HydrophobicContact CZ3-CE 3.79Å; W488-M499 HydrophobicContact CZ3-CG 4.46Å; G490-M499 WeakPolarHBondContact O-CE 3.36Å; R492-M499 HydrophobicContact CB-CE 4.26Å; R492-M499 HydrophobicContact CB-SD 3.56Å; R492-M499 VanDerWaalsContact CB-SD 3.56Å; R492-M499 HydrophobicContact CG-SD 3.89Å; R492-M499 PolarHBondContact NE-SD 3.13Å; R492-M499 VanDerWaalsContact NE-SD 3.39Å
500	V	81.3	Confident	76.2	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.315	C	S	.	.			trans	-122.2	129.6	179.1	-169.9	0	0	0	0	109.1	P461 V462 W488 G490 S491 C504 D505 Y531 C533	P461-V500 HydrophobicContact CG-CG2 3.69Å; V462-V500 HydrophobicContact CG2-CG1 3.88Å; W488-V500 WeakPolarHBondContact CH2-O 3.48Å; W488-V500 WeakPolarHBondContact CZ3-O 3.43Å; G490-V500 CarbonylContact C-O 3.56Å; G490-V500 VanDerWaalsContact C-O 3.3Å; G490-V500 WeakPolarHBondContact CA-O 3.35Å; S491-V500 PolarHBondContact N-O 3.11Å; S491-V500 VanDerWaalsContact N-O 3.09Å; S491-V500 PolarHBondContact O-N 3.05Å; V500-C504 HydrophobicContact CG1-CB 3.63Å; V500-D505 HydrophobicContact CG1-CB 3.94Å; V500-Y531 HydrophobicContact CG2-CE1 4.04Å; V500-Y531 WeakPolarHBondContact CG2-OH 3.19Å; V500-C533 HydrophobicContact CG2-CB 3.44Å; V500-C533 VanDerWaalsContact CG2-CB 3.44Å
501	H	78.2	Confident	74.7	Confident	7.5 Å²	7.5	65 Å²	65	4%	0.035	34%	0.337	C	S	.	.			trans	-60.4	149.2	174.7	-47.1	105.3	0	0	0	110.9	C460 C463 W467 S470 W488 E503 C504 D505	C460-H501 VanDerWaalsContact CB-CE1 3.47Å; C460-H501 WeakPolarHBondContact CB-CE1 3.31Å; C463-H501 PolarHBondContact SG-CE1 3.12Å; C463-H501 PolarHBondContact SG-ND1 3Å; C463-H501 VanDerWaalsContact SG-ND1 3.43Å; W467-H501 WeakPolarHBondContact CA-NE2 3.3Å; W467-H501 HydrophobicContact CE3-CB 4.41Å; W467-H501 AromaticContact CE3-CD2 3.28Å; W467-H501 AromaticContact CE3-CG 3.82Å; W467-H501 AromaticContact CE3-NE2 3.72Å; W467-H501 VanDerWaalsContact CZ3-CA 3.48Å; W467-H501 HydrophobicContact CZ3-CB 4Å; W467-H501 AromaticContact CZ3-CD2 3.4Å; W467-H501 VanDerWaalsContact CZ3-CD2 3.4Å; W467-H501 WeakPolarHBondContact CZ3-CD2 3.47Å; W467-H501 AromaticContact CZ3-CG 3.85Å; S470-H501 WeakPolarHBondContact CB-NE2 3.5Å; S470-H501 PolarHBondContact OG-CD2 3.07Å; S470-H501 VanDerWaalsContact OG-CD2 3.31Å; S470-H501 PolarHBondContact OG-NE2 3.23Å; S470-H501 VanDerWaalsContact OG-NE2 3.16Å; W488-H501 AromaticContact CH2-CD2 3.91Å; W488-H501 AromaticContact CZ2-CD2 3.27Å; W488-H501 WeakPolarHBondContact CZ2-CD2 3.28Å; W488-H501 AromaticContact CZ2-NE2 3.87Å; H501-E503 VanDerWaalsContact C-N 3.35Å; H501-E503 HydrophobicContact CB-CG 3.66Å; H501-E503 VanDerWaalsContact CB-CG 3.48Å; H501-E503 IonicContact CG-OE1 2.66Å; H501-E503 IonicContact ND1-OE1 3.73Å; H501-E503 PolarHBondContact O-N 3.19Å; H501-C504 HydrophobicContact CB-CB 4.06Å; H501-C504 PolarHBondContact ND1-SG 3.21Å; H501-C504 VanDerWaalsContact ND1-SG 3.37Å; H501-C504 WeakPolarHBondContact O-CA 3.32Å; H501-C504 WeakPolarHBondContact O-CB 3.38Å; H501-C504 PolarHBondContact O-N 3.34Å; H501-D505 PolarHBondContact O-N 2.99Å
502	A	74.1	Confident	72.7	Confident	23 Å²	23	69.6 Å²	69.6	19%	0.19	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-54.9	-44.5	175.3	0	0	0	0	0	112.1	P489 C504 D505	P489-A502 HydrophobicContact CB-CB 4.28Å; P489-A502 HydrophobicContact CG-CB 4.22Å; P489-A502 WeakPolarHBondContact O-CB 3.47Å; P489-A502 PolarHBondContact O-N 2.98Å; P489-A502 VanDerWaalsContact O-N 3.11Å; A502-C504 VanDerWaalsContact C-N 3.26Å; A502-C504 PolarHBondContact O-N 2.94Å; A502-C504 VanDerWaalsContact O-N 3.16Å; A502-D505 CarbonylContact O-C 3.58Å; A502-D505 PolarHBondContact O-N 2.96Å; A502-D505 VanDerWaalsContact O-N 3.14Å
503	E	74	Confident	70.1	Confident	101.5 Å²	101.5	68.1 Å²	68.1	47%	0.474	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-59.7	-25.6	172.3	57.1	-179.4	-149.8	0	0	114.1	R147 H501 I559	R147-E503 IonicContact CZ-OE2 2.68Å; R147-E503 VanDerWaalsContact CZ-OE2 3.3Å; R147-E503 IonicContact NH1-OE2 2.84Å; R147-E503 PolarHBondContact NH1-OE2 3.42Å; R147-E503 IonicContact NH2-OE2 2.86Å; R147-E503 PolarHBondContact NH2-OE2 3.15Å; H501-E503 VanDerWaalsContact C-N 3.35Å; H501-E503 HydrophobicContact CB-CG 3.66Å; H501-E503 VanDerWaalsContact CB-CG 3.48Å; H501-E503 IonicContact CG-OE1 2.66Å; H501-E503 IonicContact ND1-OE1 3.73Å; H501-E503 PolarHBondContact O-N 3.19Å; E503-I559 WeakPolarHBondContact O-CG2 3.31Å
504	C	79.4	Confident	67.4	Low	15 Å²	15	72.4 Å²	72.4	10%	0.101	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-87.3	-10.8	179.8	-72.3	0	0	0	0	113.8	V462 C463 V500 H501 A502	V462-C504 HydrophobicContact CB-CB 3.95Å; V462-C504 HydrophobicContact CG1-CB 4.18Å; V462-C504 HydrophobicContact CG2-CB 4.31Å; C463-C504 VanDerWaalsContact CB-SG 3.59Å; C463-C504 PolarHBondContact SG-SG 3.03Å; V500-C504 HydrophobicContact CG1-CB 3.63Å; H501-C504 HydrophobicContact CB-CB 4.06Å; H501-C504 PolarHBondContact ND1-SG 3.21Å; H501-C504 VanDerWaalsContact ND1-SG 3.37Å; H501-C504 WeakPolarHBondContact O-CA 3.32Å; H501-C504 WeakPolarHBondContact O-CB 3.38Å; H501-C504 PolarHBondContact O-N 3.34Å; A502-C504 VanDerWaalsContact C-N 3.26Å; A502-C504 PolarHBondContact O-N 2.94Å; A502-C504 VanDerWaalsContact O-N 3.16Å
505	D	80.7	Confident	64.7	Low	5.5 Å²	5.5	75.9 Å²	75.9	3%	0.029	42%	0.424	C	S	.	.			trans	-152.5	81.2	168.7	-174.2	-2.4	0	0	0	109.6	V500 H501 A502 S507 S508 Y531 P534 R537	V500-D505 HydrophobicContact CG1-CB 3.94Å; H501-D505 PolarHBondContact O-N 2.99Å; A502-D505 CarbonylContact O-C 3.58Å; A502-D505 PolarHBondContact O-N 2.96Å; A502-D505 VanDerWaalsContact O-N 3.14Å; D505-S507 PolarHBondContact O-N 3.06Å; D505-S507 VanDerWaalsContact O-N 3.14Å; D505-S507 WeakPolarHBondContact OD1-CA 3.41Å; D505-S507 VanDerWaalsContact OD1-CB 3.24Å; D505-S507 WeakPolarHBondContact OD1-CB 3.32Å; D505-S507 PolarHBondContact OD1-N 3.08Å; D505-S507 VanDerWaalsContact OD1-N 3.15Å; D505-S507 PolarHBondContact OD1-OG 3.19Å; D505-S508 VanDerWaalsContact O-CB 3.28Å; D505-S508 WeakPolarHBondContact O-CB 3.27Å; D505-S508 PolarHBondContact O-N 3.04Å; D505-S508 PolarHBondContact O-OG 3.05Å; D505-S508 PolarHBondContact OD1-N 3.11Å; D505-Y531 WeakPolarHBondContact CB-OH 3.27Å; D505-Y531 VanDerWaalsContact OD2-CE2 3.28Å; D505-Y531 WeakPolarHBondContact OD2-CE2 3.42Å; D505-Y531 VanDerWaalsContact OD2-CZ 3.25Å; D505-Y531 PolarHBondContact OD2-OH 3.25Å; D505-Y531 VanDerWaalsContact OD2-OH 3.13Å; D505-P534 HydrophobicContact CB-CG 4.07Å; D505-P534 WeakPolarHBondContact OD2-CD 3.19Å; D505-R537 IonicContact OD1-NH1 2.83Å; D505-R537 IonicContact OD2-CZ 2.64Å; D505-R537 IonicContact OD2-NH1 3.49Å; D505-R537 PolarHBondContact OD2-NH1 3Å; D505-R537 IonicContact OD2-NH2 3.89Å
506	P	69	Low	62.2	Low	70.5 Å²	70.5	78.3 Å²	78.3	46%	0.458	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-59.3	-26.3	178.1	-1.5	1.7	0	0	0	112.8	S508 N509	P506-S508 PolarHBondContact O-N 3.44Å; P506-N509 PolarHBondContact O-N 3.03Å
507	S	65.2	Low	59.5	Low	75 Å²	75	81.3 Å²	81.3	52%	0.524	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-65.3	-10.5	172	16.9	0	0	0	0	114	D505 N509 Q510	D505-S507 PolarHBondContact O-N 3.06Å; D505-S507 VanDerWaalsContact O-N 3.14Å; D505-S507 WeakPolarHBondContact OD1-CA 3.41Å; D505-S507 VanDerWaalsContact OD1-CB 3.24Å; D505-S507 WeakPolarHBondContact OD1-CB 3.32Å; D505-S507 PolarHBondContact OD1-N 3.08Å; D505-S507 VanDerWaalsContact OD1-N 3.15Å; D505-S507 PolarHBondContact OD1-OG 3.19Å; S507-N509 VanDerWaalsContact C-N 3.25Å; S507-N509 PolarHBondContact O-N 2.95Å; S507-Q510 PolarHBondContact O-N 2.82Å
508	S	61.4	Low	56.9	Low	14.5 Å²	14.5	77.1 Å²	77.1	10%	0.101	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-79.3	-13.4	175.3	72.9	0	0	0	0	114.3	D505 P506 Q510 Y531	D505-S508 VanDerWaalsContact O-CB 3.28Å; D505-S508 WeakPolarHBondContact O-CB 3.27Å; D505-S508 PolarHBondContact O-N 3.04Å; D505-S508 PolarHBondContact O-OG 3.05Å; D505-S508 PolarHBondContact OD1-N 3.11Å; P506-S508 PolarHBondContact O-N 3.44Å; S508-Q510 VanDerWaalsContact C-N 3.32Å; S508-Q510 PolarHBondContact O-N 2.69Å; S508-Y531 VanDerWaalsContact CB-CE2 3.49Å
509	N	51.3	Low	54.4	Low	110 Å²	110	78.3 Å²	78.3	59%	0.588	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-75.1	5.9	-179.7	-82	-7.5	0	0	0	115	P506 S507 A511 T512	P506-N509 PolarHBondContact O-N 3.03Å; S507-N509 VanDerWaalsContact C-N 3.25Å; S507-N509 PolarHBondContact O-N 2.95Å; N509-A511 PolarHBondContact O-N 3.35Å; N509-A511 VanDerWaalsContact O-N 3.08Å; N509-T512 PolarHBondContact O-OG1 3.38Å
510	Q	47	Very low	52.1	Low	178 Å²	178	81.6 Å²	81.6	83%	0.832	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-84.3	67.3	175.5	-65.2	-171.3	5.1	0	0	112.6	S507 S508	S507-Q510 PolarHBondContact O-N 2.82Å; S508-Q510 VanDerWaalsContact C-N 3.32Å; S508-Q510 PolarHBondContact O-N 2.69Å
511	A	39	Very low	49.8	Very low	75 Å²	75	90.3 Å²	90.3	62%	0.62	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	144.9	54.7	178.5	0	0	0	0	0	115.5	N509 V513	N509-A511 PolarHBondContact O-N 3.35Å; N509-A511 VanDerWaalsContact O-N 3.08Å; A511-V513 PolarHBondContact O-N 3.17Å
512	T	36.8	Very low	47.6	Very low	133.5 Å²	133.5	98.4 Å²	98.4	82%	0.819	60%	0.598	S	S	*	*			trans	-65.3	97.6	161.9	32.8	0	0	0	0	111	N509 S514	N509-T512 PolarHBondContact O-OG1 3.38Å; T512-S514 PolarHBondContact O-N 2.88Å
513	V	32.6	Very low	45.8	Very low	131.5 Å²	131.5	103.4 Å²	103.4	80%	0.797	63%	0.626	S	S	*	*			trans	-79.4	123.3	169	-178.4	0	0	0	0	109.5	A511	A511-V513 PolarHBondContact O-N 3.17Å
514	S	29.5	Very low	43.8	Very low	91 Å²	91	104.3 Å²	104.3	64%	0.636	64%	0.644	S	S	*	*			trans	-60.3	131.8	-179	-49.8	0	0	0	0	111.9	T512 L516	T512-S514 PolarHBondContact O-N 2.88Å; S514-L516 PolarHBondContact O-N 3.31Å
515	P	30.6	Very low	41.4	Very low	120.5 Å²	120.5	107.2 Å²	107.2	78%	0.782	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	44.7	-174.5	32.9	-36.5	0	0	0	113.9
516	L	32.8	Very low	39.3	Very low	156 Å²	156	115.2 Å²	115.2	82%	0.817	72%	0.717	S	S	*	*	S	Bend	trans	-129	29	178.8	-91.6	88.7	0	0	0	113.9	S514	S514-L516 PolarHBondContact O-N 3.31Å
517	S	29.8	Very low	37.6	Very low	104.5 Å²	104.5	117.1 Å²	117.1	73%	0.731	73%	0.73	S	S	*	*			trans	-132.8	72.7	-179.7	-58.5	0	0	0	0	114.2	A519	S517-A519 PolarHBondContact O-N 2.82Å
518	A	32.4	Very low	36.3	Very low	98.5 Å²	98.5	116.8 Å²	116.8	81%	0.814	74%	0.739	S	S	*	*			trans	-14.4	50.9	171.6	0	0	0	0	0	116.3	S520	A518-S520 PolarHBondContact O-N 3.33Å
519	A	32	Very low	36.1	Very low	104 Å²	104	121.9 Å²	121.9	86%	0.86	77%	0.77	S	S	*	*	S	Bend	trans	-111.6	55.8	166.4	0	0	0	0	0	111	S517	S517-A519 PolarHBondContact O-N 2.82Å
520	S	36	Very low	37.2	Very low	99.5 Å²	99.5	123 Å²	123	70%	0.696	78%	0.775	S	S	*	*			trans	-154.6	130.4	176.1	0.3	0	0	0	0	111.1	A518	A518-S520 PolarHBondContact O-N 3.33Å
521	E	33.6	Very low	39	Very low	181 Å²	181	116.6 Å²	116.6	85%	0.846	74%	0.744	S	S	*	*			trans	-18.5	133.6	161.7	-57.2	179.8	134.9	0	0	115.2
522	E	33.2	Very low	41.3	Very low	178.5 Å²	178.5	114.5 Å²	114.5	83%	0.834	72%	0.724	S	S	*	*			trans	35.3	115.1	144.5	-41.2	-171.3	-153.2	0	0	120.1
523	T	35.9	Very low	43.7	Very low	128 Å²	128	108.1 Å²	108.1	79%	0.785	69%	0.685	S	S	*	*			trans	134.4	139.1	140.6	-59.4	0	0	0	0	114.6
524	S	32.3	Very low	46.3	Very low	121 Å²	121	103.5 Å²	103.5	85%	0.846	66%	0.657	S	S	*	*			trans	63.1	124.8	174.1	3.6	0	0	0	0	116.4
525	G	29.2	Very low	49	Very low	75 Å²	75	100 Å²	100	77%	0.773	63%	0.632	S	S	*	*			trans	-126	156.3	179.4	0	0	0	0	0	113.7
526	I	35.1	Very low	51.8	Low	174 Å²	174	94.7 Å²	94.7	89%	0.892	60%	0.598	S	S	*	*			trans	-142.5	146.5	159.1	-92.4	157.2	0	0	0	107.8	G528	I526-G528 PolarHBondContact O-N 2.92Å
527	C	33.1	Very low	54.2	Low	110 Å²	110	94.1 Å²	94.1	74%	0.743	59%	0.585	S	S	*	*			trans	-4	95.2	-179.1	-158.5	0	0	0	0	117.6
528	G	37.6	Very low	56.6	Low	68.5 Å²	68.5	90 Å²	90	71%	0.706	56%	0.557	S	S	*	*			trans	-84.4	109.3	162.6	0	0	0	0	0	111.6	I526 N530	I526-G528 PolarHBondContact O-N 2.92Å; G528-N530 PolarHBondContact O-N 3.28Å; G528-N530 VanDerWaalsContact O-N 3.15Å
529	T	58.7	Low	58.6	Low	122.5 Å²	122.5	91.5 Å²	91.5	75%	0.752	54%	0.541	S	S	*	.			trans	-78.9	103.8	-176.2	46.1	0	0	0	0	112.4	Y531	T529-Y531 PolarHBondContact O-N 3.38Å; T529-Y531 VanDerWaalsContact O-N 3.17Å
530	N	74.4	Confident	60.1	Low	131.5 Å²	131.5	89.3 Å²	89.3	70%	0.703	53%	0.529	S	S	*	.			trans	-63.2	115.5	172.4	-78.8	-78	0	0	0	111	G528	G528-N530 PolarHBondContact O-N 3.28Å; G528-N530 VanDerWaalsContact O-N 3.15Å
531	Y	84.8	Confident	60.9	Low	44.5 Å²	44.5	89 Å²	89	18%	0.175	53%	0.527	C	S	.	.			trans	-60.2	139	175.6	171.6	-102.9	0	0	0	111.9	S491 R492 C493 S494 V500 D505 S508 T529 C533	S491-Y531 VanDerWaalsContact CB-CD1 3.42Å; S491-Y531 WeakPolarHBondContact O-CE1 3.34Å; R492-Y531 WeakPolarHBondContact O-CD1 3.47Å; C493-Y531 HydrophobicContact CB-CE1 4.36Å; S494-Y531 VanDerWaalsContact CB-O 3.31Å; S494-Y531 WeakPolarHBondContact CB-O 3.42Å; S494-Y531 PolarHBondContact N-O 3.15Å; S494-Y531 PolarHBondContact OG-O 3.27Å; V500-Y531 HydrophobicContact CG2-CE1 4.04Å; V500-Y531 WeakPolarHBondContact CG2-OH 3.19Å; D505-Y531 WeakPolarHBondContact CB-OH 3.27Å; D505-Y531 VanDerWaalsContact OD2-CE2 3.28Å; D505-Y531 WeakPolarHBondContact OD2-CE2 3.42Å; D505-Y531 VanDerWaalsContact OD2-CZ 3.25Å; D505-Y531 PolarHBondContact OD2-OH 3.25Å; D505-Y531 VanDerWaalsContact OD2-OH 3.13Å; S508-Y531 VanDerWaalsContact CB-CE2 3.49Å; T529-Y531 PolarHBondContact O-N 3.38Å; T529-Y531 VanDerWaalsContact O-N 3.17Å; Y531-C533 HydrophobicContact CE1-CB 4.22Å; Y531-C533 WeakPolarHBondContact OH-CA 3.45Å
532	V	85.8	Confident	61.4	Low	31 Å²	31	82.5 Å²	82.5	19%	0.188	50%	0.5	C	S	.	.			trans	-134.3	122	177.4	-175.7	0	0	0	0	107.5	Q495 C536 R537	Q495-V532 HydrophobicContact CG-CG1 4.17Å; Q495-V532 HydrophobicContact CG-CG2 4.39Å; V532-C536 VanDerWaalsContact CG1-C 3.48Å; V532-C536 HydrophobicContact CG1-CB 3.4Å; V532-C536 VanDerWaalsContact CG1-CB 3.44Å; V532-R537 HydrophobicContact CB-CG 3.93Å; V532-R537 HydrophobicContact CG1-CB 4.26Å; V532-R537 HydrophobicContact CG1-CG 3.87Å; V532-R537 PolarHBondContact O-NE 3.26Å; V532-R537 VanDerWaalsContact O-NE 3.15Å; V532-R537 PolarHBondContact O-NH1 3.04Å; V532-R537 PolarHBondContact O-NH2 3.27Å
533	C	88.5	Confident	62.2	Low	0 Å²	0	77.7 Å²	77.7	0%	0	48%	0.483	C	S	.	.			trans	-66.1	159.5	-179.6	68.9	0	0	0	0	112.4	P461 C493 V500 Y531 V535 C536 R537	P461-C533 HydrophobicContact CG-CB 4.16Å; C493-C533 HydrophobicContact CB-CB 3.87Å; C493-C533 PolarHBondContact SG-N 3.19Å; C493-C533 VanDerWaalsContact SG-N 3.36Å; C493-C533 VanDerWaalsContact SG-SG 3.65Å; V500-C533 HydrophobicContact CG2-CB 3.44Å; V500-C533 VanDerWaalsContact CG2-CB 3.44Å; Y531-C533 HydrophobicContact CE1-CB 4.22Å; Y531-C533 WeakPolarHBondContact OH-CA 3.45Å; C533-V535 VanDerWaalsContact C-N 3.28Å; C533-V535 PolarHBondContact O-N 2.99Å; C533-V535 VanDerWaalsContact O-N 3.14Å; C533-C536 CarbonylContact O-C 3.57Å; C533-C536 WeakPolarHBondContact O-CA 3.33Å; C533-C536 PolarHBondContact O-N 3.26Å; C533-R537 PolarHBondContact O-N 2.9Å
534	P	86.4	Confident	62.6	Low	34.5 Å²	34.5	77.5 Å²	77.5	22%	0.224	48%	0.484	C	S	.	.	H	α-helix	trans	-53.6	-42.7	-175.5	-28.7	36.9	0	0	0	113.3	V462 D505 C536 R537 A538 L554	V462-P534 HydrophobicContact CG2-CG 4.37Å; D505-P534 HydrophobicContact CB-CG 4.07Å; D505-P534 WeakPolarHBondContact OD2-CD 3.19Å; P534-C536 VanDerWaalsContact C-N 3.34Å; P534-C536 PolarHBondContact O-N 2.94Å; P534-R537 PolarHBondContact O-N 3.17Å; P534-A538 PolarHBondContact O-N 3.15Å; P534-L554 HydrophobicContact CB-CD1 3.99Å
535	V	87.3	Confident	63.4	Low	16 Å²	16	76.2 Å²	76.2	10%	0.097	47%	0.474	C	S	.	.	H	α-helix	trans	-60.5	-39.5	175.8	173.7	0	0	0	0	112.5	P461 C533 R539 T551 L554	P461-V535 WeakPolarHBondContact O-CG2 3.46Å; C533-V535 VanDerWaalsContact C-N 3.28Å; C533-V535 PolarHBondContact O-N 2.99Å; C533-V535 VanDerWaalsContact O-N 3.14Å; V535-R539 HydrophobicContact CG1-CG 4.43Å; V535-R539 WeakPolarHBondContact O-CB 3.33Å; V535-R539 WeakPolarHBondContact O-CD 3.39Å; V535-R539 WeakPolarHBondContact O-CG 3.35Å; V535-R539 PolarHBondContact O-N 3.32Å; V535-T551 HydrophobicContact CG1-CG2 3.88Å; V535-T551 HydrophobicContact CG2-CG2 4.23Å; V535-L554 HydrophobicContact CG2-CD1 4.29Å
536	C	88	Confident	64.2	Low	10 Å²	10	77.1 Å²	77.1	7%	0.068	46%	0.458	C	S	.	.	H	α-helix	trans	-79.2	-30.2	176.6	-79	0	0	0	0	113	C493 Q495 C496 V532 C533 P534 A538 R539 G540	C493-C536 VanDerWaalsContact SG-CB 3.57Å; Q495-C536 HydrophobicContact CB-CB 4.03Å; Q495-C536 HydrophobicContact CG-CB 4.46Å; Q495-C536 PolarHBondContact OE1-O 3.07Å; C496-C536 VanDerWaalsContact CB-SG 3.54Å; C496-C536 VanDerWaalsContact SG-SG 3.62Å; V532-C536 VanDerWaalsContact CG1-C 3.48Å; V532-C536 HydrophobicContact CG1-CB 3.4Å; V532-C536 VanDerWaalsContact CG1-CB 3.44Å; C533-C536 CarbonylContact O-C 3.57Å; C533-C536 WeakPolarHBondContact O-CA 3.33Å; C533-C536 PolarHBondContact O-N 3.26Å; P534-C536 VanDerWaalsContact C-N 3.34Å; P534-C536 PolarHBondContact O-N 2.94Å; C536-A538 VanDerWaalsContact C-N 3.34Å; C536-R539 PolarHBondContact O-N 3.41Å; C536-G540 PolarHBondContact O-N 3.22Å
537	R	85.1	Confident	64.5	Low	144.5 Å²	144.5	69.3 Å²	69.3	55%	0.545	42%	0.42	S	S	.	.	H	α-helix	trans	-61.7	-46	172.2	-119	178.7	-179.2	143	-1.6	109.9	D505 V532 C533 P534 R539 G540 S541	D505-R537 IonicContact OD1-NH1 2.83Å; D505-R537 IonicContact OD2-CZ 2.64Å; D505-R537 IonicContact OD2-NH1 3.49Å; D505-R537 PolarHBondContact OD2-NH1 3Å; D505-R537 IonicContact OD2-NH2 3.89Å; V532-R537 HydrophobicContact CB-CG 3.93Å; V532-R537 HydrophobicContact CG1-CB 4.26Å; V532-R537 HydrophobicContact CG1-CG 3.87Å; V532-R537 PolarHBondContact O-NE 3.26Å; V532-R537 VanDerWaalsContact O-NE 3.15Å; V532-R537 PolarHBondContact O-NH1 3.04Å; V532-R537 PolarHBondContact O-NH2 3.27Å; C533-R537 PolarHBondContact O-N 2.9Å; P534-R537 PolarHBondContact O-N 3.17Å; R537-R539 PolarHBondContact O-N 3.03Å; R537-G540 PolarHBondContact O-N 3.44Å; R537-G540 VanDerWaalsContact O-N 3.11Å; R537-S541 PolarHBondContact O-N 2.94Å; R537-S541 PolarHBondContact O-OG 3.12Å
538	A	80.1	Confident	65.1	Low	18 Å²	18	66.9 Å²	66.9	15%	0.149	41%	0.408	C	S	.	.	H	α-helix	trans	-62.8	-42.3	173.6	0	0	0	0	0	113.3	P534 C536 G540 S541 T542 T550	P534-A538 PolarHBondContact O-N 3.15Å; C536-A538 VanDerWaalsContact C-N 3.34Å; A538-G540 VanDerWaalsContact C-N 3.35Å; A538-G540 PolarHBondContact O-N 2.65Å; A538-S541 WeakPolarHBondContact CA-OG 3.46Å; A538-S541 PolarHBondContact O-N 3.24Å; A538-S541 VanDerWaalsContact O-N 3.11Å; A538-S541 PolarHBondContact O-OG 3.19Å; A538-T542 PolarHBondContact O-N 2.98Å; A538-T542 PolarHBondContact O-OG1 2.95Å; A538-T550 HydrophobicContact CB-CG2 3.5Å
539	R	74.6	Confident	65.6	Low	128.5 Å²	128.5	66.9 Å²	66.9	49%	0.485	40%	0.398	S	S	.	.	H	α-helix	trans	-68.1	-22.8	176.8	-63.7	-153.1	172.7	-167.5	-3.1	113.6	V535 C536 R537 A547 T551	V535-R539 HydrophobicContact CG1-CG 4.43Å; V535-R539 WeakPolarHBondContact O-CB 3.33Å; V535-R539 WeakPolarHBondContact O-CD 3.39Å; V535-R539 WeakPolarHBondContact O-CG 3.35Å; V535-R539 PolarHBondContact O-N 3.32Å; C536-R539 PolarHBondContact O-N 3.41Å; R537-R539 PolarHBondContact O-N 3.03Å; R539-A547 HydrophobicContact CB-CB 4.38Å; R539-A547 HydrophobicContact CG-CB 4.03Å; R539-A547 PolarHBondContact NE-O 3.01Å; R539-A547 PolarHBondContact NH2-O 2.66Å; R539-T551 PolarHBondContact NH2-OG1 3.27Å
540	G	61.5	Low	64.8	Low	58.5 Å²	58.5	63.1 Å²	63.1	60%	0.603	37%	0.374	S	S	*	.	H	α-helix	trans	-82.1	-17.3	176.6	0	0	0	0	0	114.4	C536 R537 A538	C536-G540 PolarHBondContact O-N 3.22Å; R537-G540 PolarHBondContact O-N 3.44Å; R537-G540 VanDerWaalsContact O-N 3.11Å; A538-G540 VanDerWaalsContact C-N 3.35Å; A538-G540 PolarHBondContact O-N 2.65Å
541	S	54.1	Low	63.5	Low	93 Å²	93	57.7 Å²	57.7	65%	0.65	35%	0.346	S	S	*	.	H	α-helix	trans	-102.3	-8.3	-178.1	57	0	0	0	0	114.4	R537 A538	R537-S541 PolarHBondContact O-N 2.94Å; R537-S541 PolarHBondContact O-OG 3.12Å; A538-S541 WeakPolarHBondContact CA-OG 3.46Å; A538-S541 PolarHBondContact O-N 3.24Å; A538-S541 VanDerWaalsContact O-N 3.11Å; A538-S541 PolarHBondContact O-OG 3.19Å
542	T	43.7	Very low	61.6	Low	45.5 Å²	45.5	58.4 Å²	58.4	28%	0.279	36%	0.361	S	S	.	.	S	Bend	trans	-137.7	161.8	-168.6	57.4	0	0	0	0	112.7	A538 E546 A547	A538-T542 PolarHBondContact O-N 2.98Å; A538-T542 PolarHBondContact O-OG1 2.95Å; T542-E546 VanDerWaalsContact CB-CB 3.48Å; T542-E546 HydrophobicContact CG2-CB 4.22Å; T542-E546 WeakPolarHBondContact OG1-CB 3.38Å; T542-A547 PolarHBondContact OG1-N 2.8Å
543	T	49.4	Very low	59.8	Low	77.5 Å²	77.5	60.4 Å²	60.4	48%	0.475	38%	0.376	S	S	.	.			trans	-69	163.5	178.8	69.5	0	0	0	0	111.9	S545 E546 A547	T543-S545 PolarHBondContact O-N 3.27Å; T543-E546 WeakPolarHBondContact CA-OE2 3.42Å; T543-E546 VanDerWaalsContact CB-OE2 3.26Å; T543-E546 WeakPolarHBondContact CB-OE2 3.29Å; T543-E546 VanDerWaalsContact CG2-OE2 3.28Å; T543-E546 WeakPolarHBondContact CG2-OE2 3.28Å; T543-E546 PolarHBondContact N-OE2 3.07Å; T543-E546 PolarHBondContact O-N 2.8Å; T543-E546 PolarHBondContact OG1-OE2 3.39Å; T543-A547 WeakPolarHBondContact O-CB 3.4Å; T543-A547 PolarHBondContact O-N 2.96Å
544	P	45.8	Very low	57.7	Low	123.5 Å²	123.5	64.6 Å²	64.6	80%	0.802	40%	0.398	S	S	*	.	H	α-helix	trans	-56.9	-21.9	-179.5	-28.2	36.6	0	0	0	115.5	A548	P544-A548 PolarHBondContact O-N 3.19Å
545	S	47.5	Very low	55.4	Low	93 Å²	93	69.4 Å²	69.4	65%	0.65	41%	0.412	S	S	*	.	H	α-helix	trans	-79.9	-35.9	176.1	-163.4	0	0	0	0	112.7	T543 A547 A548 S549	T543-S545 PolarHBondContact O-N 3.27Å; S545-A547 VanDerWaalsContact C-N 3.27Å; S545-A547 PolarHBondContact O-N 2.77Å; S545-A548 WeakPolarHBondContact O-CB 3.44Å; S545-A548 PolarHBondContact O-N 3.26Å; S545-S549 PolarHBondContact O-N 2.88Å; S545-S549 PolarHBondContact O-OG 3.19Å
546	E	46	Very low	53.1	Low	94 Å²	94	72.3 Å²	72.3	44%	0.439	44%	0.437	S	S	.	.	H	α-helix	trans	-81.6	-31	179	-66.3	160	121.5	0	0	111.6	T542 T543 A548 S549 T550	T542-E546 VanDerWaalsContact CB-CB 3.48Å; T542-E546 HydrophobicContact CG2-CB 4.22Å; T542-E546 WeakPolarHBondContact OG1-CB 3.38Å; T543-E546 WeakPolarHBondContact CA-OE2 3.42Å; T543-E546 VanDerWaalsContact CB-OE2 3.26Å; T543-E546 WeakPolarHBondContact CB-OE2 3.29Å; T543-E546 VanDerWaalsContact CG2-OE2 3.28Å; T543-E546 WeakPolarHBondContact CG2-OE2 3.28Å; T543-E546 PolarHBondContact N-OE2 3.07Å; T543-E546 PolarHBondContact O-N 2.8Å; T543-E546 PolarHBondContact OG1-OE2 3.39Å; E546-A548 VanDerWaalsContact C-N 3.29Å; E546-A548 PolarHBondContact O-N 3.16Å; E546-A548 VanDerWaalsContact O-N 3.14Å; E546-S549 PolarHBondContact O-N 2.82Å; E546-S549 VanDerWaalsContact O-N 3.14Å; E546-T550 WeakPolarHBondContact O-CB 3.5Å; E546-T550 PolarHBondContact O-N 2.96Å; E546-T550 VanDerWaalsContact O-N 3.11Å; E546-T550 PolarHBondContact O-OG1 3.19Å; E546-T550 VanDerWaalsContact O-OG1 3.07Å
547	A	42.6	Very low	50.4	Low	10 Å²	10	75.8 Å²	75.8	8%	0.083	46%	0.462	C	S	.	.	H	α-helix	trans	-63.2	-23.9	174.5	0	0	0	0	0	113.4	R539 T542 T543 S545 T551	R539-A547 HydrophobicContact CB-CB 4.38Å; R539-A547 HydrophobicContact CG-CB 4.03Å; R539-A547 PolarHBondContact NE-O 3.01Å; R539-A547 PolarHBondContact NH2-O 2.66Å; T542-A547 PolarHBondContact OG1-N 2.8Å; T543-A547 WeakPolarHBondContact O-CB 3.4Å; T543-A547 PolarHBondContact O-N 2.96Å; S545-A547 VanDerWaalsContact C-N 3.27Å; S545-A547 PolarHBondContact O-N 2.77Å; A547-T551 WeakPolarHBondContact O-CB 3.37Å; A547-T551 PolarHBondContact O-N 3.05Å; A547-T551 VanDerWaalsContact O-N 3.16Å; A547-T551 PolarHBondContact O-OG1 2.82Å
548	A	44.6	Very low	47.8	Very low	59.5 Å²	59.5	73.7 Å²	73.7	49%	0.492	47%	0.467	S	S	.	.	H	α-helix	trans	-75.6	-50.6	171	0	0	0	0	0	110.9	P544 S545 E546 T550 T551 A552	P544-A548 PolarHBondContact O-N 3.19Å; S545-A548 WeakPolarHBondContact O-CB 3.44Å; S545-A548 PolarHBondContact O-N 3.26Å; E546-A548 VanDerWaalsContact C-N 3.29Å; E546-A548 PolarHBondContact O-N 3.16Å; E546-A548 VanDerWaalsContact O-N 3.14Å; A548-T550 PolarHBondContact O-N 3.36Å; A548-T551 CarbonylContact O-C 2.91Å; A548-T551 WeakPolarHBondContact O-CA 3.09Å; A548-T551 WeakPolarHBondContact O-CB 3.44Å; A548-T551 PolarHBondContact O-N 3Å; A548-T551 PolarHBondContact O-OG1 2.67Å; A548-A552 PolarHBondContact O-N 3.47Å
549	S	47.7	Very low	45.5	Very low	70 Å²	70	79.5 Å²	79.5	49%	0.49	49%	0.494	S	S	.	.	H	α-helix	trans	-59	-43.9	179.5	-53	0	0	0	0	112.7	S545 E546 T551 A552 S553	S545-S549 PolarHBondContact O-N 2.88Å; S545-S549 PolarHBondContact O-OG 3.19Å; E546-S549 PolarHBondContact O-N 2.82Å; E546-S549 VanDerWaalsContact O-N 3.14Å; S549-T551 VanDerWaalsContact C-N 3.3Å; S549-T551 PolarHBondContact O-N 2.88Å; S549-A552 CarbonylContact O-C 3.08Å; S549-A552 WeakPolarHBondContact O-CA 3.26Å; S549-A552 WeakPolarHBondContact O-CB 3.07Å; S549-A552 PolarHBondContact O-N 3.12Å; S549-S553 PolarHBondContact O-N 3.4Å; S549-S553 PolarHBondContact O-OG 3.18Å
550	T	43.6	Very low	43.5	Very low	43 Å²	43	81.5 Å²	81.5	26%	0.264	51%	0.509	S	S	.	.	H	α-helix	trans	-62.9	-32.4	178.1	-4	0	0	0	0	112.5	A538 E546 A548 A552 L554	A538-T550 HydrophobicContact CB-CG2 3.5Å; E546-T550 WeakPolarHBondContact O-CB 3.5Å; E546-T550 PolarHBondContact O-N 2.96Å; E546-T550 VanDerWaalsContact O-N 3.11Å; E546-T550 PolarHBondContact O-OG1 3.19Å; E546-T550 VanDerWaalsContact O-OG1 3.07Å; A548-T550 PolarHBondContact O-N 3.36Å; T550-A552 VanDerWaalsContact C-N 3.28Å; T550-A552 PolarHBondContact O-N 3.25Å; T550-L554 HydrophobicContact CG2-CD1 4.22Å; T550-L554 HydrophobicContact CG2-CG 4.46Å; T550-L554 WeakPolarHBondContact O-CB 3.45Å; T550-L554 VanDerWaalsContact O-CG 3.24Å; T550-L554 WeakPolarHBondContact O-CG 3.31Å; T550-L554 PolarHBondContact O-N 3.42Å; T550-L554 VanDerWaalsContact O-N 3.07Å
551	T	45.6	Very low	42	Very low	17 Å²	17	81.6 Å²	81.6	10%	0.104	51%	0.511	C	S	.	.	H	α-helix	trans	-70.3	-21.6	172.3	-16.6	0	0	0	0	113.2	V535 R539 A547 A548 S549 R555	V535-T551 HydrophobicContact CG1-CG2 3.88Å; V535-T551 HydrophobicContact CG2-CG2 4.23Å; R539-T551 PolarHBondContact NH2-OG1 3.27Å; A547-T551 WeakPolarHBondContact O-CB 3.37Å; A547-T551 PolarHBondContact O-N 3.05Å; A547-T551 VanDerWaalsContact O-N 3.16Å; A547-T551 PolarHBondContact O-OG1 2.82Å; A548-T551 CarbonylContact O-C 2.91Å; A548-T551 WeakPolarHBondContact O-CA 3.09Å; A548-T551 WeakPolarHBondContact O-CB 3.44Å; A548-T551 PolarHBondContact O-N 3Å; A548-T551 PolarHBondContact O-OG1 2.67Å; S549-T551 VanDerWaalsContact C-N 3.3Å; S549-T551 PolarHBondContact O-N 2.88Å; T551-R555 VanDerWaalsContact O-CD 3.25Å; T551-R555 WeakPolarHBondContact O-CD 3.36Å; T551-R555 VanDerWaalsContact O-CG 3.25Å; T551-R555 WeakPolarHBondContact O-CG 3.33Å; T551-R555 PolarHBondContact O-NE 3.02Å
552	A	45.7	Very low	40.8	Very low	59 Å²	59	80.6 Å²	80.6	49%	0.488	52%	0.515	S	S	.	.	H	α-helix	trans	-84.6	-43.8	172.5	0	0	0	0	0	111.9	A548 S549 T550 L554 R555 A556	A548-A552 PolarHBondContact O-N 3.47Å; S549-A552 CarbonylContact O-C 3.08Å; S549-A552 WeakPolarHBondContact O-CA 3.26Å; S549-A552 WeakPolarHBondContact O-CB 3.07Å; S549-A552 PolarHBondContact O-N 3.12Å; T550-A552 VanDerWaalsContact C-N 3.28Å; T550-A552 PolarHBondContact O-N 3.25Å; A552-L554 VanDerWaalsContact C-N 3.31Å; A552-L554 PolarHBondContact O-N 3.17Å; A552-R555 WeakPolarHBondContact O-CA 3.28Å; A552-R555 WeakPolarHBondContact O-CB 3.35Å; A552-R555 PolarHBondContact O-N 3.27Å; A552-A556 PolarHBondContact O-N 3.01Å
553	S	48.1	Very low	40.1	Very low	73 Å²	73	81.9 Å²	81.9	51%	0.51	54%	0.537	S	S	.	.	H	α-helix	trans	-58.8	-40.8	176.4	-54.8	0	0	0	0	112.3	S549 R555 A556 S557	S549-S553 PolarHBondContact O-N 3.4Å; S549-S553 PolarHBondContact O-OG 3.18Å; S553-R555 PolarHBondContact O-N 3.36Å; S553-A556 CarbonylContact O-C 3.6Å; S553-A556 PolarHBondContact O-N 3.43Å; S553-A556 VanDerWaalsContact O-N 3.1Å; S553-S557 PolarHBondContact O-N 2.72Å
554	L	44.3	Very low	39.2	Very low	89 Å²	89	85.7 Å²	85.7	47%	0.466	55%	0.554	S	S	.	*	H	α-helix	trans	-66.9	-0.3	174.1	-70.2	172.6	0	0	0	114.7	P534 V535 T550 A552	P534-L554 HydrophobicContact CB-CD1 3.99Å; V535-L554 HydrophobicContact CG2-CD1 4.29Å; T550-L554 HydrophobicContact CG2-CD1 4.22Å; T550-L554 HydrophobicContact CG2-CG 4.46Å; T550-L554 WeakPolarHBondContact O-CB 3.45Å; T550-L554 VanDerWaalsContact O-CG 3.24Å; T550-L554 WeakPolarHBondContact O-CG 3.31Å; T550-L554 PolarHBondContact O-N 3.42Å; T550-L554 VanDerWaalsContact O-N 3.07Å; A552-L554 VanDerWaalsContact C-N 3.31Å; A552-L554 PolarHBondContact O-N 3.17Å
555	R	38.7	Very low	38.6	Very low	134 Å²	134	84.9 Å²	84.9	51%	0.506	55%	0.552	S	S	.	*	H	α-helix	trans	-114.4	-4.7	173.3	-62	174.6	-172.2	-150.8	-7.3	113.1	E464 T551 A552 S553	E464-R555 VanDerWaalsContact CD-CZ 3.45Å; E464-R555 IonicContact OE1-CZ 3Å; E464-R555 IonicContact OE1-NH1 3.33Å; E464-R555 PolarHBondContact OE1-NH1 3.15Å; E464-R555 IonicContact OE1-NH2 3.34Å; E464-R555 PolarHBondContact OE1-NH2 3.23Å; E464-R555 IonicContact OE2-CZ 2.85Å; E464-R555 IonicContact OE2-NH1 3.04Å; E464-R555 PolarHBondContact OE2-NH1 3.03Å; E464-R555 IonicContact OE2-NH2 3.67Å; E464-R555 PolarHBondContact OE2-NH2 2.87Å; T551-R555 VanDerWaalsContact O-CD 3.25Å; T551-R555 WeakPolarHBondContact O-CD 3.36Å; T551-R555 VanDerWaalsContact O-CG 3.25Å; T551-R555 WeakPolarHBondContact O-CG 3.33Å; T551-R555 PolarHBondContact O-NE 3.02Å; A552-R555 WeakPolarHBondContact O-CA 3.28Å; A552-R555 WeakPolarHBondContact O-CB 3.35Å; A552-R555 PolarHBondContact O-N 3.27Å; S553-R555 PolarHBondContact O-N 3.36Å
556	A	37.6	Very low	38	Very low	77 Å²	77	85.9 Å²	85.9	64%	0.636	56%	0.559	S	S	*	*	H	α-helix	trans	-114.8	8.8	-178.2	0	0	0	0	0	110.8	A552 S553	A552-A556 PolarHBondContact O-N 3.01Å; S553-A556 CarbonylContact O-C 3.6Å; S553-A556 PolarHBondContact O-N 3.43Å; S553-A556 VanDerWaalsContact O-N 3.1Å
557	S	31.3	Very low	37.3	Very low	83.5 Å²	83.5	88.9 Å²	88.9	58%	0.584	58%	0.578	S	S	*	*	S	Bend	trans	-115.8	128.7	176.2	-65.3	0	0	0	0	111.6	S553 E907	S553-S557 PolarHBondContact O-N 2.72Å; S557-E907 WeakPolarHBondContact CA-OE1 3.45Å; S557-E907 WeakPolarHBondContact CB-OE1 3.48Å; S557-E907 PolarHBondContact OG-OE1 3.04Å
558	P	31	Very low	37	Very low	101.5 Å²	101.5	93.7 Å²	93.7	66%	0.659	61%	0.611	S	S	*	*			trans	-64.4	161.6	165.8	5.4	-0.3	0	0	0	111.2	Q560 E907	P558-Q560 PolarHBondContact O-N 2.95Å; P558-Q560 VanDerWaalsContact O-N 3.15Å; P558-E907 WeakPolarHBondContact CD-OE2 3.28Å
559	I	31.3	Very low	36.4	Very low	138.5 Å²	138.5	94.8 Å²	94.8	71%	0.71	63%	0.628	S	S	*	*			trans	-68.9	104.5	174.4	-63.4	171.3	0	0	0	108.6	E503 G561	E503-I559 WeakPolarHBondContact O-CG2 3.31Å; I559-G561 PolarHBondContact O-N 3.36Å
560	Q	33.2	Very low	35.7	Very low	171 Å²	171	94.9 Å²	94.9	80%	0.799	64%	0.64	S	S	*	*			trans	-80.4	109.5	171.2	-74.3	-169.8	-23.3	0	0	110.8	P558 G562	P558-Q560 PolarHBondContact O-N 2.95Å; P558-Q560 VanDerWaalsContact O-N 3.15Å; Q560-G562 PolarHBondContact O-N 2.8Å
561	G	29.6	Very low	35.3	Very low	62 Å²	62	100.4 Å²	100.4	64%	0.639	67%	0.668	S	S	*	*			trans	-71.8	120.3	148.7	0	0	0	0	0	109.3	I559	I559-G561 PolarHBondContact O-N 3.36Å
562	G	29.4	Very low	34.9	Very low	72 Å²	72	107.3 Å²	107.3	74%	0.742	70%	0.702	S	S	*	*			trans	-70.3	162.6	-179.4	0	0	0	0	0	113.2	Q560	Q560-G562 PolarHBondContact O-N 2.8Å
563	G	29.5	Very low	34.4	Very low	71 Å²	71	110.9 Å²	110.9	73%	0.732	71%	0.711	S	S	*	*				-160.7	107.9	-85.5	0	0	0	0	0	110.8
564	N	30.7	Very low	33.6	Very low	158 Å²	158	113.4 Å²	113.4	85%	0.845	72%	0.718	S	S	*	*				133	141.7	94.6	-71.3	-16.6	0	0	0	114.9
565	S	31.9	Very low	33.1	Very low	106.5 Å²	106.5	114.6 Å²	114.6	75%	0.745	73%	0.725	S	S	*	*				2.1	146.2	124.9	-46.1	0	0	0	0	115
566	S	35.7	Very low	32.8	Very low	114.5 Å²	114.5	113.6 Å²	113.6	80%	0.801	73%	0.73	S	S	*	*			trans	128	115.6	136.6	-69.8	0	0	0	0	115.9
567	N	30.5	Very low	32.5	Very low	156 Å²	156	117.6 Å²	117.6	83%	0.834	73%	0.733	S	S	*	*			trans	-136.5	131.6	141.5	-76.9	-19.2	0	0	0	110.7
568	S	37.2	Very low	32.6	Very low	112.5 Å²	112.5	118 Å²	118	79%	0.787	73%	0.732	S	S	*	*				134.3	130.2	89.9	70.4	0	0	0	0	111.5
569	G	33	Very low	32.7	Very low	82.5 Å²	82.5	121.9 Å²	121.9	85%	0.851	74%	0.742	S	S	*	*				100.2	105.8	81.5	0	0	0	0	0	115
570	G	31.6	Very low	32.7	Very low	71.5 Å²	71.5	119.5 Å²	119.5	74%	0.737	75%	0.751	S	S	*	*			trans	110.9	145.3	162.4	0	0	0	0	0	115.4
571	D	34.6	Very low	32.7	Very low	159 Å²	159	114.8 Å²	114.8	85%	0.85	75%	0.748	S	S	*	*				-112.9	152.4	-102	-72.8	-70.8	0	0	0	112.5
572	I	38.6	Very low	32.9	Very low	160.5 Å²	160.5	122.7 Å²	122.7	82%	0.823	76%	0.758	S	S	*	*			trans	-123.7	151.2	158.6	-77.8	152.8	0	0	0	110
573	M	34.5	Very low	33.1	Very low	136 Å²	136	125.5 Å²	125.5	67%	0.67	76%	0.757	S	S	*	*			trans	-123	134.2	179.3	-72.4	-164.7	175	0	0	115.1
574	D	31	Very low	33.4	Very low	124.5 Å²	124.5	129 Å²	129	67%	0.666	76%	0.758	S	S	*	*			trans	140.4	124.1	146.8	-90.7	-31	0	0	0	116.9
575	D	33.8	Very low	33.7	Very low	114.5 Å²	114.5	128.4 Å²	128.4	61%	0.612	75%	0.754	S	S	*	*	S	Bend		-6.5	156.7	52.2	-45.8	-87.6	0	0	0	116.2
576	N	33.6	Very low	33.7	Very low	113 Å²	113	130 Å²	130	60%	0.604	75%	0.754	S	S	*	*			cis	141.9	145.7	35	-110.9	-53.3	0	0	0	114.7
577	F	30.7	Very low	33.7	Very low	162 Å²	162	130.5 Å²	130.5	71%	0.711	75%	0.748	S	S	*	*			trans	83	94.6	157.8	-100.7	-117.4	0	0	0	124
578	T	33.4	Very low	34	Very low	91 Å²	91	128.8 Å²	128.8	56%	0.558	74%	0.743	S	S	*	*				84.8	135.5	119.2	51.6	0	0	0	0	124.9
579	Q	33.2	Very low	33.9	Very low	184 Å²	184	128.7 Å²	128.7	86%	0.86	74%	0.738	S	S	*	*			trans	77.4	81.3	139.2	-73	176.5	11	0	0	121.5
580	G	31.5	Very low	33.8	Very low	87.5 Å²	87.5	134.5 Å²	134.5	90%	0.902	73%	0.734	S	S	*	*				72.8	136.5	118	0	0	0	0	0	120.2
581	G	33.2	Very low	33.8	Very low	71.5 Å²	71.5	137.6 Å²	137.6	74%	0.737	73%	0.729	S	S	*	*				169.9	118.4	-95.9	0	0	0	0	0	114.7
582	R	33.4	Very low	33.6	Very low	228 Å²	228	134.9 Å²	134.9	86%	0.86	72%	0.721	S	S	*	*			trans	53.7	131.6	158.5	-61.8	179.7	-167.6	172	3.2	117.7
583	D	33.6	Very low	33.3	Very low	132 Å²	132	135.2 Å²	135.2	71%	0.706	72%	0.723	S	S	*	*				120.7	142.7	60.4	-62.6	-32.2	0	0	0	112.9
584	L	36.4	Very low	33.1	Very low	144.5 Å²	144.5	131.6 Å²	131.6	76%	0.757	72%	0.721	S	S	*	*				177.2	148.2	51.1	-98.3	170.5	0	0	0	111.8
585	L	36.1	Very low	33.2	Very low	145.5 Å²	145.5	132.2 Å²	132.2	76%	0.762	74%	0.735	S	S	*	*			trans	65.7	124.7	150.5	-62.3	171	0	0	0	121.1
586	D	32.2	Very low	33.1	Very low	140 Å²	140	130.2 Å²	130.2	75%	0.749	74%	0.741	S	S	*	*			cis	148.6	164	43.4	-149	8.5	0	0	0	116.9
587	D	36	Very low	32.9	Very low	125.5 Å²	125.5	130.3 Å²	130.3	67%	0.671	75%	0.75	S	S	*	*			trans	0.7	152.8	-177	-113.2	-30.7	0	0	0	120.5
588	T	37.2	Very low	33	Very low	120 Å²	120	130.7 Å²	130.7	74%	0.736	76%	0.759	S	S	*	*				-178.4	117.5	54.6	-92.4	0	0	0	0	112.1
589	V	34	Very low	32.8	Very low	110 Å²	110	132.3 Å²	132.3	67%	0.667	77%	0.768	S	S	*	*			trans	60.1	140.9	138.8	155.8	0	0	0	0	120.4
590	R	32	Very low	32.7	Very low	204 Å²	204	129.1 Å²	129.1	77%	0.77	77%	0.765	S	S	*	*				78.2	145	77	-64.9	171	-171.4	-87.7	4.6	119.6
591	Q	31.5	Very low	32.8	Very low	137 Å²	137	131 Å²	131	64%	0.64	76%	0.762	S	S	*	*			cis	-170.3	157.6	-14.3	-110.4	177.4	-94	0	0	107.8
592	C	30.2	Very low	32.5	Very low	101.5 Å²	101.5	131.2 Å²	131.2	69%	0.686	76%	0.763	S	S	*	*			cis	135.2	160.9	22.5	-102.1	0	0	0	0	114.5
593	I	31.1	Very low	32.4	Very low	167.5 Å²	167.5	124.9 Å²	124.9	86%	0.859	76%	0.76	S	S	*	*			trans	75.2	139.1	161.7	-55.8	164.1	0	0	0	117.4
594	G	30.5	Very low	32.1	Very low	60.5 Å²	60.5	126.2 Å²	126.2	62%	0.624	77%	0.767	S	S	*	*				168.2	-116.8	73.1	0	0	0	0	0	119.5
595	S	33.2	Very low	31.6	Very low	136.5 Å²	136.5	122.8 Å²	122.8	96%	0.955	77%	0.766	S	S	*	*			trans	73.3	149.8	-173.9	-32.4	0	0	0	0	115.3
596	G	32.1	Very low	31.2	Very low	72 Å²	72	120.8 Å²	120.8	74%	0.742	77%	0.765	S	S	*	*			cis	173.7	147.4	-1.9	0	0	0	0	0	109.7
597	S	29.6	Very low	31	Very low	115.5 Å²	115.5	119.9 Å²	119.9	81%	0.808	77%	0.765	S	S	*	*			cis	132.3	140.6	43.6	-163.4	0	0	0	0	112.2
598	L	32	Very low	30.6	Very low	170 Å²	170	119.4 Å²	119.4	89%	0.89	77%	0.771	S	S	*	*			trans	155.3	137.3	163.4	-72.4	179.8	0	0	0	115.3
599	V	30	Very low	30.1	Very low	124.5 Å²	124.5	118.2 Å²	118.2	76%	0.755	77%	0.773	S	S	*	*				-123.7	139.5	-117.3	175.2	0	0	0	0	110.8
600	C	30.9	Very low	29.8	Very low	117 Å²	117	120.6 Å²	120.6	79%	0.791	78%	0.782	S	S	*	*			trans	-140.3	165.6	146.7	-73.4	0	0	0	0	112.1
601	P	33	Very low	29.6	Very low	129 Å²	129	115.9 Å²	115.9	84%	0.838	78%	0.776	S	S	*	*				-132.8	169.7	104.4	29.6	-10.3	0	0	0	114.8
602	G	27.2	Very low	29.5	Very low	74 Å²	74	114.4 Å²	114.4	76%	0.763	78%	0.778	S	S	*	*			trans	133.1	125.8	135	0	0	0	0	0	114.6
603	A	31.8	Very low	29.4	Very low	96.3333 Å²	96.3333	113.7 Å²	113.7	80%	0.796	77%	0.774	S	S	*	*			trans	-159.8	108.2	165.3	0	0	0	0	0	112.7	G605	A603-G605 PolarHBondContact O-N 2.85Å
604	N	26.6	Very low	29.3	Very low	160.333 Å²	160.333	109.2 Å²	109.2	86%	0.857	76%	0.758	S	S	*	*			trans	-40	115.1	172.8	-51.7	-5.2	0	0	0	115.2	S606	N604-S606 PolarHBondContact O-N 2.74Å
605	G	27.1	Very low	29.1	Very low	71.6667 Å²	71.6667	111.1 Å²	111.1	74%	0.739	76%	0.762	S	S	*	*			trans	173.4	100	140.4	0	0	0	0	0	113.1	A603 T607	A603-G605 PolarHBondContact O-N 2.85Å; G605-T607 VanDerWaalsContact C-N 3.35Å; G605-T607 PolarHBondContact O-N 2.93Å
606	S	27.3	Very low	28.9	Very low	104.333 Å²	104.333	109 Å²	109	73%	0.73	74%	0.743	S	S	*	*			trans	-94.6	130.2	138	55.5	0	0	0	0	115.9	N604 S608	N604-S606 PolarHBondContact O-N 2.74Å; S606-S608 PolarHBondContact O-N 3.25Å
607	T	26.8	Very low	28.6	Very low	121.667 Å²	121.667	110.3 Å²	110.3	75%	0.746	74%	0.741	S	S	*	*			trans	30.7	111.6	158.4	45.7	0	0	0	0	117.7	G605 A609	G605-T607 VanDerWaalsContact C-N 3.35Å; G605-T607 PolarHBondContact O-N 2.93Å; T607-A609 VanDerWaalsContact C-N 3.34Å; T607-A609 PolarHBondContact O-N 2.99Å
608	S	27.7	Very low	28.5	Very low	114.667 Å²	114.667	111.3 Å²	111.3	80%	0.802	74%	0.737	S	S	*	*			trans	-119.4	116.9	152.3	-62	0	0	0	0	113.8	S606 N610	S606-S608 PolarHBondContact O-N 3.25Å; S608-N610 PolarHBondContact O-N 3.11Å
609	A	28.2	Very low	28.2	Very low	93.6667 Å²	93.6667	107.7 Å²	107.7	77%	0.774	73%	0.727	S	S	*	*			trans	-106.2	122.3	170.4	0	0	0	0	0	112.4	T607 T611	T607-A609 VanDerWaalsContact C-N 3.34Å; T607-A609 PolarHBondContact O-N 2.99Å; A609-T611 PolarHBondContact O-N 3.27Å
610	N	27.3	Very low	28.2	Very low	160.667 Å²	160.667	108 Å²	108	86%	0.859	73%	0.729	S	S	*	*			trans	-60.7	102	166.1	-67	-31.6	0	0	0	113.2	S608 P612	S608-N610 PolarHBondContact O-N 3.11Å; N610-P612 VanDerWaalsContact O-CD 3.3Å; N610-P612 WeakPolarHBondContact O-CD 3.47Å
611	T	27.1	Very low	28.2	Very low	105 Å²	105	108.1 Å²	108.1	64%	0.644	73%	0.726	S	S	*	*			trans	-92.3	119.5	159.2	49.2	0	0	0	0	110.1	A609 S613	A609-T611 PolarHBondContact O-N 3.27Å; T611-S613 PolarHBondContact O-N 2.96Å
612	P	28.8	Very low	28	Very low	106 Å²	106	107.1 Å²	107.1	69%	0.688	72%	0.719	S	S	*	*			trans	-80.9	101.8	178.2	31.7	-32.8	0	0	0	110.9	N610 S614	N610-P612 VanDerWaalsContact O-CD 3.3Å; N610-P612 WeakPolarHBondContact O-CD 3.47Å; P612-S614 PolarHBondContact O-N 3.27Å
613	S	28.2	Very low	28.1	Very low	86.3333 Å²	86.3333	111.2 Å²	111.2	60%	0.604	72%	0.724	S	S	*	*			trans	-76.1	90.6	171.6	-68.6	0	0	0	0	110.5	T611 S615	T611-S613 PolarHBondContact O-N 2.96Å; S613-S615 VanDerWaalsContact C-N 3.29Å; S613-S615 PolarHBondContact O-N 3.14Å
614	S	29.4	Very low	28.2	Very low	74 Å²	74	113 Å²	113	52%	0.517	73%	0.725	S	S	.	*			trans	-74.7	95.5	-176.1	61.5	0	0	0	0	112.6	D321 P612 T616	D321-S614 WeakPolarHBondContact CB-OG 3.48Å; D321-S614 PolarHBondContact N-OG 3.36Å; D321-S614 VanDerWaalsContact N-OG 3.08Å; P612-S614 PolarHBondContact O-N 3.27Å; S614-T616 VanDerWaalsContact C-N 3.31Å; S614-T616 PolarHBondContact O-N 2.82Å
615	S	26.9	Very low	28.5	Very low	99.6667 Å²	99.6667	113.4 Å²	113.4	70%	0.697	72%	0.722	S	S	*	*			trans	-116.7	75	157.8	54.9	0	0	0	0	112.4	S613	S613-S615 VanDerWaalsContact C-N 3.29Å; S613-S615 PolarHBondContact O-N 3.14Å
616	T	27.7	Very low	28.8	Very low	92.6667 Å²	92.6667	116 Å²	116	57%	0.569	73%	0.726	S	S	*	*			trans	-123.3	114.8	168.1	43.7	0	0	0	0	110.3	S614 N618 L903	S614-T616 VanDerWaalsContact C-N 3.31Å; S614-T616 PolarHBondContact O-N 2.82Å; T616-N618 PolarHBondContact O-N 3.32Å; T616-L903 HydrophobicContact CG2-CD2 3.8Å
617	S	27.1	Very low	28.9	Very low	100.333 Å²	100.333	114.4 Å²	114.4	70%	0.702	73%	0.726	S	S	*	*			trans	-126.2	77.4	-154.3	17.7	0	0	0	0	110.3	S619	S617-S619 VanDerWaalsContact C-N 3.28Å; S617-S619 PolarHBondContact O-N 3.07Å
618	N	26.8	Very low	29.1	Very low	134.667 Å²	134.667	118.5 Å²	118.5	72%	0.72	73%	0.733	S	S	*	*			trans	-100.2	77.3	174.3	-96.1	7.4	0	0	0	111.5	E341 T616 T620	E341-N618 PolarHBondContact OE2-ND2 3.23Å; T616-N618 PolarHBondContact O-N 3.32Å; N618-T620 VanDerWaalsContact C-N 3.29Å; N618-T620 PolarHBondContact O-N 3.24Å
619	S	26.6	Very low	29.2	Very low	96 Å²	96	121 Å²	121	67%	0.671	73%	0.732	S	S	*	*			trans	-121.3	88.8	164.4	-32.4	0	0	0	0	110.5	S617 T621	S617-S619 VanDerWaalsContact C-N 3.28Å; S617-S619 PolarHBondContact O-N 3.07Å; S619-T621 PolarHBondContact O-N 3.35Å
620	T	30.1	Very low	29.3	Very low	130.667 Å²	130.667	123.2 Å²	123.2	80%	0.802	73%	0.727	S	S	*	*			trans	-106.4	106.8	161.6	-57.8	0	0	0	0	110.5	N618 P622	N618-T620 VanDerWaalsContact C-N 3.29Å; N618-T620 PolarHBondContact O-N 3.24Å; T620-P622 WeakPolarHBondContact O-CD 3.25Å
621	T	30.6	Very low	29.4	Very low	118.333 Å²	118.333	121.8 Å²	121.8	73%	0.726	72%	0.718	S	S	*	*			trans	-49.8	123.9	166.4	49.6	0	0	0	0	113.7	S619	S619-T621 PolarHBondContact O-N 3.35Å
622	P	29.4	Very low	29.4	Very low	107.333 Å²	107.333	122.6 Å²	122.6	70%	0.697	71%	0.714	S	S	*	*			trans	-73.6	151.8	146.1	33.3	-32.2	0	0	0	109.7	T620 T624	T620-P622 WeakPolarHBondContact O-CD 3.25Å; P622-T624 PolarHBondContact O-N 2.69Å
623	N	28.3	Very low	29.5	Very low	161.333 Å²	161.333	124.4 Å²	124.4	86%	0.863	72%	0.717	S	S	*	*			trans	-99.8	98.4	171.3	-106.3	-6.4	0	0	0	111.6
624	T	33	Very low	29.5	Very low	133 Å²	133	125.2 Å²	125.2	82%	0.816	71%	0.714	S	S	*	*			trans	-151.8	134.2	163.6	-20.5	0	0	0	0	109	P622	P622-T624 PolarHBondContact O-N 2.69Å
625	E	34.3	Very low	29.5	Very low	168.667 Å²	168.667	127.7 Å²	127.7	79%	0.788	72%	0.722	S	S	*	*			trans	-83.5	160.5	-169.2	-61.9	-175.5	115.7	0	0	113.4	G627 K853	E625-G627 PolarHBondContact O-N 3.47Å; E625-K853 IonicContact OE1-NZ 3.75Å; E625-K853 PolarHBondContact OE1-NZ 3.15Å
626	P	32.6	Very low	29.7	Very low	127.333 Å²	127.333	130.8 Å²	130.8	83%	0.827	73%	0.725	S	S	*	*			trans	-107.2	126.5	-153	36.8	-30.1	0	0	0	113.6
627	G	30.4	Very low	29.8	Very low	70.6667 Å²	70.6667	132.5 Å²	132.5	73%	0.729	73%	0.731	S	S	*	*			trans	124.3	108.5	170.7	0	0	0	0	0	117.9	E625 Q629	E625-G627 PolarHBondContact O-N 3.47Å; G627-Q629 PolarHBondContact O-N 3.45Å; G627-Q629 VanDerWaalsContact O-N 3.13Å
628	K	30.6	Very low	30	Very low	206.667 Å²	206.667	137.5 Å²	137.5	90%	0.899	74%	0.736	S	S	*	*				-70.1	113.9	129.3	-65.2	177.8	179.1	173	0	113.6
629	Q	30.4	Very low	30.3	Very low	167.667 Å²	167.667	136.8 Å²	136.8	78%	0.783	74%	0.739	S	S	*	*			trans	-120.8	130.6	145.3	-87.2	176.9	-10.6	0	0	110	N372 G627 I631	N372-Q629 PolarHBondContact ND2-NE2 3.4Å; N372-Q629 WeakPolarHBondContact OD1-CG 3.42Å; N372-Q629 PolarHBondContact OD1-OE1 3.35Å; G627-Q629 PolarHBondContact O-N 3.45Å; G627-Q629 VanDerWaalsContact O-N 3.13Å; Q629-I631 PolarHBondContact O-N 3.36Å
630	Q	29.4	Very low	30.6	Very low	140.667 Å²	140.667	135.9 Å²	135.9	66%	0.657	74%	0.744	S	S	*	*			trans	-145.6	109.1	-179.9	179.8	-158.9	-6.1	0	0	114.4	H632 N1105 D1106	Q630-H632 HydrophobicContact CG-CB 4.17Å; Q630-H632 PolarHBondContact O-N 3.26Å; Q630-N1105 PolarHBondContact NE2-O 2.89Å; Q630-N1105 VanDerWaalsContact NE2-O 3.11Å; Q630-N1105 PolarHBondContact OE1-O 3.19Å; Q630-D1106 VanDerWaalsContact NE2-N 3.16Å; Q630-D1106 PolarHBondContact NE2-O 3.36Å
631	I	28.6	Very low	30.6	Very low	131.667 Å²	131.667	135.2 Å²	135.2	68%	0.675	75%	0.745	S	S	*	*			trans	-96.5	92.4	157.1	-52	174.3	0	0	0	113.2	I396 Q629 L633	I396-I631 HydrophobicContact CB-CG2 4.26Å; I396-I631 HydrophobicContact CD1-CD1 3.72Å; I396-I631 HydrophobicContact CD1-CG1 4.29Å; I396-I631 HydrophobicContact CD1-CG2 4.11Å; I396-I631 HydrophobicContact CG2-CG2 3.88Å; Q629-I631 PolarHBondContact O-N 3.36Å; I631-L633 HydrophobicContact CG2-CD1 4.28Å; I631-L633 PolarHBondContact O-N 3.36Å
632	H	28.5	Very low	30.9	Very low	121.333 Å²	121.333	135.3 Å²	135.3	56%	0.562	75%	0.748	S	S	*	*			trans	-7.3	92.2	144.2	-173.1	-78.9	0	0	0	117.1	Q630 N634	Q630-H632 HydrophobicContact CG-CB 4.17Å; Q630-H632 PolarHBondContact O-N 3.26Å; H632-N634 VanDerWaalsContact CE1-CB 3.4Å; H632-N634 WeakPolarHBondContact CE1-CB 3.4Å
633	L	29.8	Very low	31	Very low	143 Å²	143	141.3 Å²	141.3	75%	0.749	76%	0.756	S	S	*	*			trans	-110.6	134.9	142.7	-81.1	108.8	0	0	0	110.4	I631 K857	I631-L633 HydrophobicContact CG2-CD1 4.28Å; I631-L633 PolarHBondContact O-N 3.36Å; L633-K857 WeakPolarHBondContact O-CD 3.03Å
634	N	29	Very low	31.3	Very low	102.667 Å²	102.667	139.9 Å²	139.9	55%	0.549	75%	0.754	S	S	.	*			trans	-166.9	130.9	132.4	-178.1	16.2	0	0	0	114.2	K398 H632	K398-N634 HydrophobicContact CD-CB 3.91Å; K398-N634 WeakPolarHBondContact CD-O 3.06Å; K398-N634 PolarHBondContact NZ-ND2 2.81Å; H632-N634 VanDerWaalsContact CE1-CB 3.4Å; H632-N634 WeakPolarHBondContact CE1-CB 3.4Å
635	N	29.8	Very low	31.1	Very low	127.333 Å²	127.333	141.1 Å²	141.1	68%	0.681	75%	0.75	S	S	*	*			trans	-74.2	135.6	154.3	-85.1	-37.6	0	0	0	115
636	Q	29.9	Very low	31	Very low	165 Å²	165	139.1 Å²	139.1	77%	0.771	75%	0.753	S	S	*	*			trans	-176	145.7	134.9	-97.2	169	1	0	0	113.5
637	D	30.7	Very low	30.9	Very low	128 Å²	128	141 Å²	141	68%	0.684	75%	0.748	S	S	*	*			trans	-72.3	158.7	-173.2	-83.8	-77.5	0	0	0	118
638	Y	30.9	Very low	30.8	Very low	206 Å²	206	144.3 Å²	144.3	81%	0.808	75%	0.754	S	S	*	*			trans	172.8	144.8	136.5	-92.1	-80.5	0	0	0	114.3	F450	F450-Y638 HydrophobicContact CZ-CE1 4.25Å
639	P	34	Very low	30.7	Very low	119.667 Å²	119.667	139.6 Å²	139.6	78%	0.777	74%	0.743	S	S	*	*			trans	-113.5	162.6	-153.2	40	-33.3	0	0	0	116.7
640	G	32.1	Very low	30.8	Very low	76.6667 Å²	76.6667	136.6 Å²	136.6	79%	0.79	74%	0.74	S	S	*	*			trans	157.4	122.5	155.4	0	0	0	0	0	116.1	P642	G640-P642 WeakPolarHBondContact O-CD 2.99Å
641	S	31	Very low	30.9	Very low	116.667 Å²	116.667	136.7 Å²	136.7	82%	0.816	75%	0.745	S	S	*	*			trans	-111	142.3	174	-167.4	0	0	0	0	111.4	R643	S641-R643 PolarHBondContact O-N 3.41Å
642	P	36.8	Very low	30.9	Very low	120.667 Å²	120.667	137.7 Å²	137.7	78%	0.784	75%	0.752	S	S	*	*			trans	-114.9	146.3	144.4	21.8	-5.1	0	0	0	115.2	G640 V644	G640-P642 WeakPolarHBondContact O-CD 2.99Å; P642-V644 PolarHBondContact O-N 3.31Å; P642-V644 VanDerWaalsContact O-N 3.09Å
643	R	31.4	Very low	31.1	Very low	232.333 Å²	232.333	141.4 Å²	141.4	88%	0.877	77%	0.766	S	S	*	*			trans	-74.7	132	180	-95.8	176.1	-176	169.3	0.5	114	S641 H645	S641-R643 PolarHBondContact O-N 3.41Å; R643-H645 PolarHBondContact O-N 3.16Å; R643-H645 VanDerWaalsContact O-N 3.13Å
644	V	33.4	Very low	31.1	Very low	133 Å²	133	142.1 Å²	142.1	81%	0.806	77%	0.77	S	S	*	*			trans	-59.3	131.1	141.7	-174.6	0	0	0	0	112.9	P642	P642-V644 PolarHBondContact O-N 3.31Å; P642-V644 VanDerWaalsContact O-N 3.09Å
645	H	30.3	Very low	31.1	Very low	157.667 Å²	157.667	142.2 Å²	142.2	73%	0.73	78%	0.778	S	S	*	*			trans	-142	120.5	168	-161	-66.8	0	0	0	112.1	R643	R643-H645 PolarHBondContact O-N 3.16Å; R643-H645 VanDerWaalsContact O-N 3.13Å
646	C	31.7	Very low	31.1	Very low	126 Å²	126	142.3 Å²	142.3	85%	0.851	78%	0.784	S	S	*	*			trans	-136.3	141.3	162.1	-116.1	0	0	0	0	110.5
647	K	29.4	Very low	31.3	Very low	168 Å²	168	140.8 Å²	140.8	73%	0.73	79%	0.786	S	S	*	*			trans	-136.2	122.7	-142.6	176.1	174.1	177.6	174.6	0	110	T649	K647-T649 PolarHBondContact O-N 3.38Å
648	V	28.3	Very low	31.1	Very low	139.667 Å²	139.667	141.9 Å²	141.9	85%	0.846	79%	0.792	S	S	*	*			trans	-99.5	114.5	170.7	-179.3	0	0	0	0	110.6
649	T	29.2	Very low	31.3	Very low	108.667 Å²	108.667	137 Å²	137	67%	0.667	79%	0.788	S	S	*	*			trans	-169.8	130	151	-32	0	0	0	0	112.6	K647	K647-T649 PolarHBondContact O-N 3.38Å
650	S	32.5	Very low	31.2	Very low	103.333 Å²	103.333	137.1 Å²	137.1	72%	0.723	79%	0.786	S	S	*	*				-144.1	156.6	109.6	52.8	0	0	0	0	112.4
651	N	31.7	Very low	31.2	Very low	144.333 Å²	144.333	138.2 Å²	138.2	77%	0.772	78%	0.781	S	S	*	*			trans	-150.9	136.5	166.8	-77.8	-28.2	0	0	0	116.8
652	N	29.4	Very low	31.3	Very low	152.667 Å²	152.667	135.6 Å²	135.6	82%	0.816	77%	0.773	S	S	*	*			trans	29.6	138	145.2	-67.7	-35.1	0	0	0	117.5
653	K	31.5	Very low	31.1	Very low	197.667 Å²	197.667	141 Å²	141	86%	0.859	78%	0.778	S	S	*	*			trans	177.3	134	130.2	-129.4	170.3	-179.1	179.6	0	114.9
654	L	29.4	Very low	31.4	Very low	158.333 Å²	158.333	135.2 Å²	135.2	83%	0.829	77%	0.77	S	S	*	*			trans	-118.8	127.3	158.3	-70.2	134.2	0	0	0	111
655	S	30.3	Very low	31.3	Very low	103.667 Å²	103.667	132.9 Å²	132.9	73%	0.725	77%	0.766	S	S	*	*				148.5	106.9	124.7	62.2	0	0	0	0	111
656	V	29.7	Very low	31.5	Very low	131.333 Å²	131.333	132.5 Å²	132.5	80%	0.796	77%	0.767	S	S	*	*				85.9	118.2	94.1	170.9	0	0	0	0	111.2
657	T	32.7	Very low	31.6	Very low	132 Å²	132	133.4 Å²	133.4	81%	0.81	76%	0.763	S	S	*	*				-142.4	151	129.2	36.8	0	0	0	0	115.2
658	N	27.7	Very low	31.8	Very low	152 Å²	152	133.3 Å²	133.3	81%	0.813	77%	0.766	S	S	*	*			trans	-50.9	158.4	148.2	-89.8	-10.1	0	0	0	113.6
659	S	33.7	Very low	32.3	Very low	103 Å²	103	132.1 Å²	132.1	72%	0.72	76%	0.761	S	S	*	*				150.9	148.2	122.1	-53	0	0	0	0	111.1
660	T	33.4	Very low	32.3	Very low	121.667 Å²	121.667	131.3 Å²	131.3	75%	0.746	76%	0.76	S	S	*	*			cis	160.8	147.1	10.6	-10.4	0	0	0	0	109.6
661	S	32.4	Very low	32.4	Very low	99.3333 Å²	99.3333	133.9 Å²	133.9	70%	0.695	76%	0.764	S	S	*	*			trans	94.9	143.7	178.2	-68.2	0	0	0	0	115.9	L1198 T1199 S1200	S661-L1198 WeakPolarHBondContact CB-O 3.19Å; S661-L1198 PolarHBondContact OG-O 3.04Å; S661-T1199 CarbonylContact C-O 3.58Å; S661-T1199 VanDerWaalsContact CB-C 3.44Å; S661-T1199 WeakPolarHBondContact CB-O 3.29Å; S661-T1199 CarbonylContact O-C 3.25Å; S661-S1200 CarbonylContact O-C 3.58Å; S661-S1200 WeakPolarHBondContact O-CA 3.13Å; S661-S1200 PolarHBondContact O-N 2.93Å
662	G	31.9	Very low	32.3	Very low	62.6667 Å²	62.6667	133.9 Å²	133.9	65%	0.646	76%	0.764	S	S	*	*			cis	116.2	145.6	-10.5	0	0	0	0	0	117.8
663	R	32.7	Very low	32.4	Very low	233.667 Å²	233.667	133.7 Å²	133.7	88%	0.882	76%	0.761	S	S	*	*				119.7	151.5	127.1	-87.9	-176.7	176.5	-122.6	-1.8	116.3	S1200	R663-S1200 PolarHBondContact O-OG 2.9Å
664	P	38.4	Very low	32.5	Very low	110 Å²	110	129.3 Å²	129.3	71%	0.714	76%	0.755	S	S	*	*			trans	-131	-175.5	-145.6	42.6	-27.2	0	0	0	116
665	A	31.8	Very low	32.6	Very low	85.6667 Å²	85.6667	127.1 Å²	127.1	71%	0.708	75%	0.753	S	S	*	*			trans	115.5	152.2	152.7	0	0	0	0	0	116.2
666	I	32.8	Very low	32.7	Very low	149.333 Å²	149.333	125.7 Å²	125.7	77%	0.766	76%	0.755	S	S	*	*				109.9	120.5	90.8	-73.5	170.8	0	0	0	111.8
667	D	34	Very low	32.9	Very low	143.667 Å²	143.667	130.7 Å²	130.7	77%	0.768	76%	0.759	S	S	*	*				158.6	150.9	102.5	-103.8	-42.3	0	0	0	119.1
668	Q	33.9	Very low	33	Very low	167.333 Å²	167.333	134 Å²	134	78%	0.782	76%	0.757	S	S	*	*			trans	-169.5	150.1	156.4	-97.8	-163.6	52.6	0	0	114.6
669	P	38.5	Very low	33.2	Very low	113.667 Å²	113.667	137.6 Å²	137.6	74%	0.738	76%	0.759	S	S	*	*			trans	-130.2	169.8	151.7	25.2	-6.5	0	0	0	113.9
670	S	30.8	Very low	33.2	Very low	93 Å²	93	135.8 Å²	135.8	65%	0.65	76%	0.757	S	S	*	*			cis	114.5	153.3	47.5	-64.3	0	0	0	0	114.5
671	I	33.5	Very low	33.2	Very low	156 Å²	156	136.4 Å²	136.4	80%	0.8	76%	0.756	S	S	*	*			trans	78.8	126.9	173.4	-31.9	172.6	0	0	0	116.6
672	N	29.2	Very low	33.2	Very low	145.667 Å²	145.667	135.7 Å²	135.7	78%	0.779	75%	0.748	S	S	*	*			trans	85	162.9	137.7	-68.3	-30.9	0	0	0	116.5
673	I	31.8	Very low	33.3	Very low	147.667 Å²	147.667	139.9 Å²	139.9	76%	0.757	75%	0.75	S	S	*	*			trans	127.7	126.6	-174.9	-74.7	168.7	0	0	0	112.4
674	S	33.6	Very low	33.3	Very low	104.667 Å²	104.667	134.3 Å²	134.3	73%	0.732	74%	0.743	S	S	*	*				91.6	155.3	119.1	-73.7	0	0	0	0	117
675	S	31.9	Very low	33.1	Very low	113.667 Å²	113.667	133.5 Å²	133.5	80%	0.795	74%	0.739	S	S	*	*			cis	158.2	113.2	-13.3	-79.4	0	0	0	0	115.8
676	G	32.6	Very low	33.1	Very low	73 Å²	73	135.9 Å²	135.9	75%	0.753	74%	0.74	S	S	*	*			trans	101.5	161.3	144.9	0	0	0	0	0	118
677	R	34.4	Very low	33.4	Very low	237 Å²	237	135.6 Å²	135.6	89%	0.894	74%	0.74	S	S	*	*			cis	107.4	136.1	47.7	-64.7	-179	178.6	-157.6	-1	113.5
678	R	34.4	Very low	33.2	Very low	202 Å²	202	134.9 Å²	134.9	76%	0.762	74%	0.736	S	S	*	*			cis	-175.4	146.8	27.5	-89.8	-174.9	-166.3	-90	8.3	113.7
679	R	31.6	Very low	33.2	Very low	227 Å²	227	135.5 Å²	135.5	86%	0.857	74%	0.736	S	S	*	*				114.9	151	83.4	-93.9	-177.7	176.2	175.9	-2.5	116.8
680	G	32.9	Very low	32.8	Very low	66 Å²	66	135 Å²	135	68%	0.68	73%	0.731	S	S	*	*			trans	119.8	124.2	157.4	0	0	0	0	0	113.2
681	N	33.6	Very low	32.8	Very low	133 Å²	133	139.2 Å²	139.2	71%	0.711	74%	0.738	S	S	*	*				71.8	135.1	63.1	-120.7	46.8	0	0	0	115.5	P1084 C1085 G1086	N681-P1084 PolarHBondContact OD1-O 3.38Å; N681-C1085 PolarHBondContact N-O 3.01Å; N681-C1085 PolarHBondContact OD1-O 2.87Å; N681-C1085 VanDerWaalsContact OD1-O 3.12Å; N681-G1086 VanDerWaalsContact CA-N 3.34Å
682	T	33.6	Very low	32.6	Very low	85.3333 Å²	85.3333	137.5 Å²	137.5	52%	0.524	73%	0.734	S	S	.	*			cis	-162.8	162.8	25.3	-24.9	0	0	0	0	113.6	C1085 P1087	T682-C1085 HydrophobicContact CG2-CB 3.51Å; T682-P1087 VanDerWaalsContact C-CD 3.46Å
683	Q	33.9	Very low	32.6	Very low	150 Å²	150	137.3 Å²	137.3	70%	0.701	73%	0.733	S	S	*	*			trans	32.4	157.8	152.1	-76.1	155.4	5.5	0	0	119.9
684	T	32.7	Very low	32.6	Very low	117.667 Å²	117.667	135.4 Å²	135.4	72%	0.722	73%	0.733	S	S	*	*			cis	178.4	158.5	45.8	42	0	0	0	0	115.1
685	S	32.8	Very low	32.6	Very low	92.3333 Å²	92.3333	133.5 Å²	133.5	65%	0.646	73%	0.73	S	S	*	*				86.6	151	73.1	79.8	0	0	0	0	115.8
686	D	32.9	Very low	32.6	Very low	136.333 Å²	136.333	134.2 Å²	134.2	73%	0.729	73%	0.729	S	S	*	*			cis	172.8	162.4	28.5	-100.5	-54.6	0	0	0	115.9
687	L	38.2	Very low	32.5	Very low	143.333 Å²	143.333	141.5 Å²	141.5	75%	0.75	73%	0.734	S	S	*	*				99.4	158.9	118.5	-88.4	169.2	0	0	0	117.5
688	N	30.9	Very low	32.4	Very low	128.333 Å²	128.333	134.6 Å²	134.6	69%	0.686	72%	0.722	S	S	*	*			trans	-161.3	155.5	152.1	-91.3	-43.4	0	0	0	113
689	F	32.8	Very low	32.3	Very low	180 Å²	180	132 Å²	132	79%	0.789	72%	0.724	S	S	*	*			trans	154.5	108.4	139.9	-103.2	-97.5	0	0	0	115.1
690	T	30	Very low	32.3	Very low	102.333 Å²	102.333	128.4 Å²	128.4	63%	0.628	72%	0.722	S	S	*	*				49.6	123.1	104.4	72	0	0	0	0	122
691	K	30.8	Very low	32.3	Very low	182.333 Å²	182.333	129.2 Å²	129.2	79%	0.793	72%	0.721	S	S	*	*				106	140.8	117.5	-117.9	-174.4	-180	178.1	0	119.3
692	T	30.2	Very low	32.1	Very low	120 Å²	120	129.6 Å²	129.6	74%	0.736	72%	0.724	S	S	*	*			trans	81.6	144.5	148.2	61.7	0	0	0	0	119.7
693	N	29.7	Very low	32	Very low	141.333 Å²	141.333	130.7 Å²	130.7	76%	0.756	73%	0.73	S	S	*	*			cis	166.7	144.8	3.7	-131.6	16.6	0	0	0	115.9
694	S	31.4	Very low	31.9	Very low	108.333 Å²	108.333	131.1 Å²	131.1	76%	0.758	73%	0.732	S	S	*	*			trans	46.6	142.9	148.6	63.1	0	0	0	0	120.8
695	G	33.4	Very low	31.8	Very low	63.3333 Å²	63.3333	131.2 Å²	131.2	65%	0.653	73%	0.733	S	S	*	*			trans	156	101.2	139.1	0	0	0	0	0	115.7
696	T	31.4	Very low	31.8	Very low	128.667 Å²	128.667	130.7 Å²	130.7	79%	0.789	73%	0.729	S	S	*	*			trans	65.2	135.2	133.8	65.9	0	0	0	0	119.3
697	R	31.3	Very low	31.7	Very low	226.667 Å²	226.667	132.8 Å²	132.8	86%	0.855	73%	0.732	S	S	*	*			trans	79.6	127.7	137.2	-72.7	171.2	137.5	-168.5	-2.8	116.8
698	S	32.4	Very low	31.3	Very low	92 Å²	92	133.3 Å²	133.3	64%	0.643	73%	0.734	S	S	*	*			cis	115.9	139.9	37.1	-76.1	0	0	0	0	117.5
699	N	31.9	Very low	31.4	Very low	147.333 Å²	147.333	130.3 Å²	130.3	79%	0.788	73%	0.734	S	S	*	*			trans	76	140	146.6	-62.1	7.9	0	0	0	120.6
700	N	31.4	Very low	31.5	Very low	152.333 Å²	152.333	127.4 Å²	127.4	82%	0.815	73%	0.73	S	S	*	*			trans	111.8	145	132.7	-129.8	5.3	0	0	0	114.5
701	A	32.1	Very low	31.5	Very low	81.6667 Å²	81.6667	127.9 Å²	127.9	68%	0.675	73%	0.734	S	S	*	*			trans	66.9	105.2	146.1	0	0	0	0	0	117.7
702	N	31.5	Very low	31.7	Very low	142 Å²	142	128 Å²	128	76%	0.759	73%	0.734	S	S	*	*				96.6	134.7	97.1	-154.2	18.9	0	0	0	113.2
703	T	30.8	Very low	31.8	Very low	107.667 Å²	107.667	128.9 Å²	128.9	66%	0.661	74%	0.74	S	S	*	*				116.8	124.1	116.6	-51.2	0	0	0	0	114.9
704	Q	32	Very low	31.9	Very low	158.667 Å²	158.667	125.6 Å²	125.6	74%	0.741	74%	0.74	S	S	*	*			trans	45.3	151	157.1	-69.4	167.2	30.5	0	0	119.5
705	T	30.7	Very low	31.9	Very low	120.333 Å²	120.333	124.8 Å²	124.8	74%	0.738	74%	0.739	S	S	*	*			trans	97.9	118.4	132.5	39.7	0	0	0	0	119
706	S	31.1	Very low	32	Very low	82.3333 Å²	82.3333	129.4 Å²	129.4	58%	0.576	75%	0.748	S	S	*	*				80.3	155.7	87.4	60.9	0	0	0	0	118.8
707	F	31	Very low	32.1	Very low	180.667 Å²	180.667	131.5 Å²	131.5	79%	0.792	75%	0.746	S	S	*	*				107.8	148.6	119.4	-71.2	-69.2	0	0	0	117.8
708	I	30.5	Very low	32.3	Very low	154 Å²	154	130.8 Å²	130.8	79%	0.79	74%	0.744	S	S	*	*			trans	94.1	130.7	149.2	-89.2	163.9	0	0	0	114.7	T710	I708-T710 HydrophobicContact CG2-CG2 4.07Å
709	G	33.2	Very low	32.3	Very low	65 Å²	65	131.5 Å²	131.5	67%	0.67	74%	0.744	S	S	*	*			trans	133.3	132.2	138.2	0	0	0	0	0	114.4
710	T	34.1	Very low	32.3	Very low	117.667 Å²	117.667	131.2 Å²	131.2	72%	0.722	74%	0.743	S	S	*	*			cis	166.4	135.9	22.9	32.7	0	0	0	0	114.1	I708	I708-T710 HydrophobicContact CG2-CG2 4.07Å
711	T	31.6	Very low	32.6	Very low	114.333 Å²	114.333	128.7 Å²	128.7	70%	0.701	74%	0.737	S	S	*	*			trans	65.7	125.6	145.3	53.8	0	0	0	0	122.6
712	K	33.8	Very low	32.6	Very low	183.333 Å²	183.333	130.1 Å²	130.1	80%	0.797	74%	0.742	S	S	*	*				104.8	143.3	85.7	-89.1	175.9	-179.9	178	0	116.7
713	T	33	Very low	32.7	Very low	138.667 Å²	138.667	127.5 Å²	127.5	85%	0.851	74%	0.74	S	S	*	*				100.9	142.2	93.6	37.5	0	0	0	0	116.7
714	G	31.7	Very low	32.9	Very low	73.3333 Å²	73.3333	128.4 Å²	128.4	76%	0.756	75%	0.745	S	S	*	*				126.6	151.5	125.4	0	0	0	0	0	114
715	A	31.9	Very low	33.1	Very low	91.3333 Å²	91.3333	124.9 Å²	124.9	76%	0.755	74%	0.739	S	S	*	*			cis	162.2	153.8	8.7	0	0	0	0	0	112.4
716	L	34.3	Very low	33.2	Very low	160 Å²	160	125.6 Å²	125.6	84%	0.838	74%	0.738	S	S	*	*			trans	98.8	129.1	152.7	-92.5	79.9	0	0	0	113.7
717	K	33.9	Very low	33.3	Very low	172.333 Å²	172.333	127.8 Å²	127.8	75%	0.749	74%	0.743	S	S	*	*				111.8	138.5	52.7	-167.1	-166	176.9	-178.8	0	113.8	T719	K717-T719 HydrophobicContact CG-CG2 3.94Å
718	R	34.8	Very low	33.5	Very low	212 Å²	212	126.7 Å²	126.7	80%	0.8	74%	0.744	S	S	*	*			trans	-162.8	147.2	141.5	-67.9	176	-83.5	-156	-1.8	112.7
719	T	33.8	Very low	33.7	Very low	105.667 Å²	105.667	125.2 Å²	125.2	65%	0.648	74%	0.738	S	S	*	*				158.4	142.3	51.6	43	0	0	0	0	112.8	K717	K717-T719 HydrophobicContact CG-CG2 3.94Å
720	N	31.8	Very low	33.9	Very low	142 Å²	142	130.9 Å²	130.9	76%	0.759	74%	0.744	S	S	*	*				79.7	157.2	112	-78.3	25.8	0	0	0	117.2
721	S	36.2	Very low	34	Very low	98.6667 Å²	98.6667	130.7 Å²	130.7	69%	0.69	74%	0.743	S	S	*	*				166.1	133.5	51.2	-68.5	0	0	0	0	113.9
722	S	34	Very low	34.2	Very low	111.667 Å²	111.667	135.4 Å²	135.4	78%	0.781	75%	0.748	S	S	*	*				73.9	137	83.4	-50.2	0	0	0	0	117.8
723	A	33.6	Very low	34.3	Very low	87 Å²	87	136.9 Å²	136.9	72%	0.719	75%	0.748	S	S	*	*				142.6	153	91.7	0	0	0	0	0	114.9
724	T	34.8	Very low	34.5	Very low	127 Å²	127	137 Å²	137	78%	0.779	75%	0.749	S	S	*	*			cis	172.9	151.7	20.4	-5.2	0	0	0	0	113.5
725	S	34.5	Very low	34.7	Very low	85.6667 Å²	85.6667	142.7 Å²	142.7	60%	0.599	75%	0.753	S	S	*	*				62.2	149.3	119.3	61.3	0	0	0	0	119
726	N	34.8	Very low	34.9	Very low	134.667 Å²	134.667	144.5 Å²	144.5	72%	0.72	76%	0.755	S	S	*	*				163.4	133	67.1	-83.7	-40	0	0	0	113.6
727	N	32.9	Very low	35	Very low	128.333 Å²	128.333	148.6 Å²	148.6	69%	0.686	76%	0.759	S	S	*	*				39.5	124.7	97.8	-87.3	-35	0	0	0	118	N729	N727-N729 PolarHBondContact OD1-ND2 2.96Å
728	I	35.3	Very low	35.1	Very low	158.333 Å²	158.333	149.4 Å²	149.4	81%	0.812	76%	0.763	S	S	*	*				-158.7	139.6	101.4	-90.4	158.4	0	0	0	110.2
729	N	34.9	Very low	35.3	Very low	123 Å²	123	146.3 Å²	146.3	66%	0.658	76%	0.76	S	S	*	*			trans	-25.1	141.5	145.5	-69.1	-70.5	0	0	0	114.8	N727	N727-N729 PolarHBondContact OD1-ND2 2.96Å
730	K	36.3	Very low	35.3	Very low	184 Å²	184	146.8 Å²	146.8	80%	0.8	76%	0.763	S	S	*	*				-169.3	132.7	91.2	-114.7	161.3	-171.8	168.6	0	113.3
731	T	35.5	Very low	35.4	Very low	113.667 Å²	113.667	145 Å²	145	70%	0.697	76%	0.762	S	S	*	*			trans	35	150.8	137.4	59.3	0	0	0	0	119.8
732	R	35.7	Very low	35.2	Very low	213.667 Å²	213.667	149.3 Å²	149.3	81%	0.806	76%	0.764	S	S	*	*			cis	-162.9	124.3	13	-154.8	173	-133.1	-165.1	4.3	113.3
733	R	35.8	Very low	35.2	Very low	213.667 Å²	213.667	151.9 Å²	151.9	81%	0.806	76%	0.764	S	S	*	*			trans	40.8	113.7	134.4	-140.3	-169.5	-163.7	176	4.1	120.6
734	T	38.2	Very low	35.3	Very low	141.333 Å²	141.333	151.6 Å²	151.6	87%	0.867	76%	0.757	S	S	*	*				-138.7	148.9	128.5	23.5	0	0	0	0	114.4
735	K	35.8	Very low	35.4	Very low	193 Å²	193	155.3 Å²	155.3	84%	0.839	76%	0.762	S	S	*	*			trans	-133.4	158.7	174.7	-127.1	-179.6	178.1	-178.8	0	113.5
736	T	37	Very low	35.6	Very low	129 Å²	129	157.7 Å²	157.7	79%	0.791	77%	0.773	S	S	*	*			trans	-92.6	142.5	168.3	55.2	0	0	0	0	113.6
737	R	36.4	Very low	35.7	Very low	245.667 Å²	245.667	155.6 Å²	155.6	93%	0.927	77%	0.768	S	S	*	*			trans	-121.7	150.3	132.3	-86.5	179.9	176.8	-171.1	-1.9	113.1
738	K	36	Very low	36.4	Very low	190.333 Å²	190.333	158.7 Å²	158.7	83%	0.828	78%	0.779	S	S	*	*			trans	-85.1	130.8	165.5	-155	-178.6	-179.6	-177	0	114.2
739	I	38.5	Very low	37	Very low	145.667 Å²	145.667	157.8 Å²	157.8	75%	0.747	77%	0.769	S	S	*	*			trans	-135.4	115	156.8	-72.4	174.1	0	0	0	110.8	S741	I739-S741 PolarHBondContact O-N 3.02Å
740	T	34.3	Very low	37.6	Very low	116.667 Å²	116.667	159 Å²	159	72%	0.716	78%	0.776	S	S	*	*			trans	25.2	120.2	143.7	52.7	0	0	0	0	115.4	Y742	T740-Y742 PolarHBondContact O-N 3.22Å
741	S	32.8	Very low	38.4	Very low	105 Å²	105	156.1 Å²	156.1	73%	0.734	77%	0.769	S	S	*	*				-137.1	118.5	87.5	88.8	0	0	0	0	111.2	I739	I739-S741 PolarHBondContact O-N 3.02Å
742	Y	32.9	Very low	39.5	Very low	188 Å²	188	154.1 Å²	154.1	74%	0.737	75%	0.752	S	S	*	*			trans	-110.8	127.2	151.4	128.2	-87.7	0	0	0	111.3	T740 S744	T740-Y742 PolarHBondContact O-N 3.22Å; Y742-S744 VanDerWaalsContact C-N 3.34Å; Y742-S744 WeakPolarHBondContact CD1-OG 3.29Å; Y742-S744 VanDerWaalsContact CD2-OG 3.3Å; Y742-S744 WeakPolarHBondContact CD2-OG 3.45Å; Y742-S744 WeakPolarHBondContact CE1-OG 3.47Å; Y742-S744 WeakPolarHBondContact CE2-OG 3.4Å; Y742-S744 PolarHBondContact O-N 3.06Å
743	E	32.7	Very low	41	Very low	166 Å²	166	148.9 Å²	148.9	78%	0.776	75%	0.745	S	S	*	*			trans	-53.2	105.9	168.8	-84.8	172.2	144.1	0	0	112.8	K745	E743-K745 PolarHBondContact O-N 3.07Å
744	S	35.8	Very low	42.6	Very low	81 Å²	81	143.1 Å²	143.1	57%	0.566	74%	0.737	S	S	*	*			trans	-126	122	151.4	-70.4	0	0	0	0	113.1	Y742 V746	Y742-S744 VanDerWaalsContact C-N 3.34Å; Y742-S744 WeakPolarHBondContact CD1-OG 3.29Å; Y742-S744 VanDerWaalsContact CD2-OG 3.3Å; Y742-S744 WeakPolarHBondContact CD2-OG 3.45Å; Y742-S744 WeakPolarHBondContact CE1-OG 3.47Å; Y742-S744 WeakPolarHBondContact CE2-OG 3.4Å; Y742-S744 PolarHBondContact O-N 3.06Å; S744-V746 VanDerWaalsContact C-N 3.3Å; S744-V746 PolarHBondContact O-N 3.24Å
745	K	37	Very low	44.6	Very low	204 Å²	204	139.5 Å²	139.5	89%	0.887	72%	0.716	S	S	*	*			trans	-29.8	111.3	158.3	-61.6	178	-179.1	-177.8	0	112.1	E743 S747	E743-K745 PolarHBondContact O-N 3.07Å; K745-S747 PolarHBondContact O-N 3.09Å
746	V	39.1	Very low	46.8	Very low	135.667 Å²	135.667	135.3 Å²	135.3	82%	0.822	71%	0.706	S	S	*	*			trans	-87.6	123.9	163.3	-171.3	0	0	0	0	107.1	S744 E748	S744-V746 VanDerWaalsContact C-N 3.3Å; S744-V746 PolarHBondContact O-N 3.24Å; V746-E748 PolarHBondContact O-N 3.09Å
747	S	37.6	Very low	49	Very low	90.6667 Å²	90.6667	132 Å²	132	63%	0.634	69%	0.685	S	S	*	*			trans	-85.2	120.5	171.6	167.4	0	0	0	0	108.3	K745 K749	K745-S747 PolarHBondContact O-N 3.09Å; S747-K749 VanDerWaalsContact C-N 3.35Å; S747-K749 PolarHBondContact O-N 2.85Å
748	E	47.2	Very low	51.3	Low	193.667 Å²	193.667	128.6 Å²	128.6	91%	0.905	68%	0.678	S	S	*	*			trans	-63.5	118.6	153.3	-67.7	175.4	127.8	0	0	106.1	V746	V746-E748 PolarHBondContact O-N 3.09Å
749	K	47	Very low	53.7	Low	140.333 Å²	140.333	122.4 Å²	122.4	61%	0.61	66%	0.657	S	S	*	*			trans	-125.2	138.1	-179.1	-124.9	-169	179.4	-125.5	0	108.3	S747 D751 E830	S747-K749 VanDerWaalsContact C-N 3.35Å; S747-K749 PolarHBondContact O-N 2.85Å; K749-D751 PolarHBondContact O-N 2.88Å; K749-E830 IonicContact NZ-OE1 3.74Å; K749-E830 IonicContact NZ-OE2 2.92Å; K749-E830 PolarHBondContact NZ-OE2 3.41Å
750	D	47.4	Very low	56.1	Low	148 Å²	148	123.3 Å²	123.3	79%	0.791	65%	0.651	S	S	*	*			trans	-73.6	55.5	-178.7	-52.6	-82.5	0	0	0	112.4	H752	D750-H752 VanDerWaalsContact C-N 3.29Å; D750-H752 PolarHBondContact O-N 3Å; D750-H752 VanDerWaalsContact O-N 3.08Å
751	D	53.7	Low	58.7	Low	123.333 Å²	123.333	122.7 Å²	122.7	66%	0.66	66%	0.658	S	S	*	*			trans	-69.3	97.5	167.5	-75.3	-30	0	0	0	107.7	K749 R1162	K749-D751 PolarHBondContact O-N 2.88Å; D751-R1162 IonicContact OD1-CZ 2.75Å; D751-R1162 IonicContact OD1-NH1 3.87Å; D751-R1162 PolarHBondContact OD1-NH1 3.18Å; D751-R1162 IonicContact OD1-NH2 2.8Å; D751-R1162 PolarHBondContact OD1-NH2 2.55Å; D751-R1162 IonicContact OD2-NH2 3.22Å
752	H	58.8	Low	61.4	Low	72.3333 Å²	72.3333	122.4 Å²	122.4	34%	0.335	65%	0.648	S	S	.	*			trans	-50.8	136.7	178.1	-20.3	-65.2	0	0	0	111.3	D750 S754 Y794 L816 D817	D750-H752 VanDerWaalsContact C-N 3.29Å; D750-H752 PolarHBondContact O-N 3Å; D750-H752 VanDerWaalsContact O-N 3.08Å; H752-S754 PolarHBondContact O-N 3.14Å; H752-S754 VanDerWaalsContact O-N 3.07Å; H752-Y794 AromaticContact CD2-CE1 3.73Å; H752-Y794 PolarHBondContact CE1-OH 3.22Å; H752-Y794 AromaticContact NE2-CE1 3.76Å; H752-Y794 AromaticContact NE2-CZ 3.87Å; H752-Y794 PolarHBondContact NE2-OH 3.21Å; H752-Y794 VanDerWaalsContact NE2-OH 3.11Å; H752-L816 VanDerWaalsContact CE1-CD1 3.45Å; H752-L816 WeakPolarHBondContact CE1-CD1 3.49Å; H752-L816 WeakPolarHBondContact NE2-CD1 3.4Å; H752-D817 IonicContact CE1-OD1 3.01Å; H752-D817 PolarHBondContact CE1-OD1 3.12Å; H752-D817 VanDerWaalsContact CE1-OD1 3.24Å; H752-D817 IonicContact CE1-OD2 2.71Å; H752-D817 IonicContact ND1-OD1 2.6Å
753	P	66	Low	64.1	Low	103.667 Å²	103.667	116 Å²	116	67%	0.673	63%	0.627	S	S	*	*			trans	-65.5	107.9	-173.4	25.8	-34.3	0	0	0	111	T755 A774	P753-T755 PolarHBondContact O-N 3.09Å; P753-T755 VanDerWaalsContact O-N 3.09Å; P753-A774 CarbonylContact O-C 3.52Å; P753-A774 VanDerWaalsContact O-CA 3.29Å; P753-A774 WeakPolarHBondContact O-CA 3.18Å; P753-A774 VanDerWaalsContact O-O 3.09Å
754	S	71.3	Confident	66.8	Low	91.3333 Å²	91.3333	113.1 Å²	113.1	64%	0.639	62%	0.617	S	S	*	*			trans	-79.9	111.3	179.4	56.2	0	0	0	0	111	H752 V756 I773	H752-S754 PolarHBondContact O-N 3.14Å; H752-S754 VanDerWaalsContact O-N 3.07Å; S754-V756 PolarHBondContact O-N 3.31Å; S754-I773 WeakPolarHBondContact CA-O 3.15Å
755	T	78.3	Confident	69.2	Low	66.6667 Å²	66.6667	114.9 Å²	114.9	41%	0.409	61%	0.614	S	S	.	*			trans	-82.5	122.4	-178.9	-68.3	0	0	0	0	111.1	P753 V757 I773 A774	P753-T755 PolarHBondContact O-N 3.09Å; P753-T755 VanDerWaalsContact O-N 3.09Å; T755-V757 HydrophobicContact CG2-CG2 4.38Å; T755-V757 PolarHBondContact O-N 3.34Å; T755-I773 PolarHBondContact N-O 3.19Å; T755-I773 VanDerWaalsContact N-O 3.13Å; T755-A774 VanDerWaalsContact CB-O 3.3Å; T755-A774 WeakPolarHBondContact CB-O 3.4Å; T755-A774 PolarHBondContact OG1-O 3.21Å
756	V	82.7	Confident	71.5	Confident	104 Å²	104	107.3 Å²	107.3	63%	0.63	58%	0.583	S	S	*	*			trans	-90.7	108.3	177.9	-179	0	0	0	0	110.2	S754 F758	S754-V756 PolarHBondContact O-N 3.31Å; V756-F758 HydrophobicContact CB-CE2 4.5Å; V756-F758 HydrophobicContact CG1-CD2 4.43Å; V756-F758 HydrophobicContact CG1-CE2 3.88Å; V756-F758 HydrophobicContact CG1-CZ 4.09Å
757	V	83.1	Confident	73.7	Confident	59.6667 Å²	59.6667	105.9 Å²	105.9	36%	0.362	57%	0.57	S	S	.	*			trans	-86.8	132.8	177.1	-176.8	0	0	0	0	110.7	T755 M766 I771 G776	T755-V757 HydrophobicContact CG2-CG2 4.38Å; T755-V757 PolarHBondContact O-N 3.34Å; V757-M766 HydrophobicContact CG1-CE 4.29Å; V757-I771 HydrophobicContact CG2-CG2 4.23Å; V757-G776 WeakPolarHBondContact CG2-O 3.2Å
758	F	85.4	Confident	76	Confident	175 Å²	175	108.7 Å²	108.7	77%	0.768	57%	0.573	S	S	*	*			trans	-107.4	101.6	174	-68.5	-92.6	0	0	0	110.2	V756 F1226	V756-F758 HydrophobicContact CB-CE2 4.5Å; V756-F758 HydrophobicContact CG1-CD2 4.43Å; V756-F758 HydrophobicContact CG1-CE2 3.88Å; V756-F758 HydrophobicContact CG1-CZ 4.09Å; F758-F1226 HydrophobicContact CD1-CZ 4.36Å; F758-F1226 HydrophobicContact CE1-CD2 4.43Å; F758-F1226 HydrophobicContact CE1-CE1 4.15Å; F758-F1226 AromaticContact CE1-CE2 3.5Å; F758-F1226 HydrophobicContact CE1-CE2 3.5Å; F758-F1226 AromaticContact CE1-CZ 3.33Å; F758-F1226 HydrophobicContact CE1-CZ 3.33Å; F758-F1226 AromaticContact CZ-CE2 3.68Å; F758-F1226 HydrophobicContact CZ-CE2 3.68Å; F758-F1226 AromaticContact CZ-CZ 3.62Å; F758-F1226 HydrophobicContact CZ-CZ 3.62Å
759	C	85.2	Confident	77.8	Confident	59.6667 Å²	59.6667	103 Å²	103	40%	0.403	55%	0.546	S	S	.	.			trans	-100.7	167.7	169	59.5	0	0	0	0	111.1	M766	C759-M766 HydrophobicContact CB-CB 3.78Å; C759-M766 HydrophobicContact CB-CG 4.27Å
760	R	88.9	Confident	79.8	Confident	164.667 Å²	164.667	101.3 Å²	101.3	62%	0.621	54%	0.544	S	S	*	.			trans	-78.6	147.1	170.6	-58.6	165.5	51.4	154.8	-4.9	109.8	D762 D763	R760-D762 VanDerWaalsContact CB-OD1 3.24Å; R760-D762 WeakPolarHBondContact CB-OD1 3.4Å; R760-D762 IonicContact CZ-OD1 3.36Å; R760-D762 VanDerWaalsContact CZ-OD1 3.32Å; R760-D762 IonicContact CZ-OD2 3.05Å; R760-D762 IonicContact NE-OD1 2.78Å; R760-D762 PolarHBondContact NE-OD1 3.22Å; R760-D762 IonicContact NE-OD2 3.61Å; R760-D762 VanDerWaalsContact NH2-CG 3.3Å; R760-D762 IonicContact NH2-OD1 3.57Å; R760-D762 PolarHBondContact NH2-OD1 3.34Å; R760-D762 VanDerWaalsContact NH2-OD1 3.11Å; R760-D762 IonicContact NH2-OD2 2.8Å; R760-D762 PolarHBondContact NH2-OD2 3.16Å; R760-D762 PolarHBondContact O-N 3.13Å; R760-D762 VanDerWaalsContact O-N 3.08Å; R760-D763 HydrophobicContact CB-CB 4.11Å; R760-D763 WeakPolarHBondContact O-CB 3.45Å; R760-D763 PolarHBondContact O-N 3.12Å; R760-D763 VanDerWaalsContact O-N 3.08Å
761	A	88.8	Confident	81.8	Confident	103 Å²	103	96.4 Å²	96.4	85%	0.851	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-5.6	178	0	0	0	0	0	114.5
762	D	90	Very high	83.6	Confident	100.333 Å²	100.333	90.6 Å²	90.6	54%	0.537	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	8.8	174	62.7	-22.3	0	0	0	113.2	R760 N764	R760-D762 VanDerWaalsContact CB-OD1 3.24Å; R760-D762 WeakPolarHBondContact CB-OD1 3.4Å; R760-D762 IonicContact CZ-OD1 3.36Å; R760-D762 VanDerWaalsContact CZ-OD1 3.32Å; R760-D762 IonicContact CZ-OD2 3.05Å; R760-D762 IonicContact NE-OD1 2.78Å; R760-D762 PolarHBondContact NE-OD1 3.22Å; R760-D762 IonicContact NE-OD2 3.61Å; R760-D762 VanDerWaalsContact NH2-CG 3.3Å; R760-D762 IonicContact NH2-OD1 3.57Å; R760-D762 PolarHBondContact NH2-OD1 3.34Å; R760-D762 VanDerWaalsContact NH2-OD1 3.11Å; R760-D762 IonicContact NH2-OD2 2.8Å; R760-D762 PolarHBondContact NH2-OD2 3.16Å; R760-D762 PolarHBondContact O-N 3.13Å; R760-D762 VanDerWaalsContact O-N 3.08Å; D762-N764 PolarHBondContact O-N 3.47Å; D762-N764 VanDerWaalsContact O-N 3.14Å
763	D	90.4	Very high	85.1	Confident	52.3333 Å²	52.3333	89.8 Å²	89.8	28%	0.28	48%	0.484	S	S	.	.			trans	-88.9	82.4	175.7	-168.9	-24.1	0	0	0	110.4	R760 F765 M766 L767	R760-D763 HydrophobicContact CB-CB 4.11Å; R760-D763 WeakPolarHBondContact O-CB 3.45Å; R760-D763 PolarHBondContact O-N 3.12Å; R760-D763 VanDerWaalsContact O-N 3.08Å; D763-F765 PolarHBondContact O-N 3.16Å; D763-F765 WeakPolarHBondContact OD1-CB 3.43Å; D763-F765 PolarHBondContact OD1-N 3.29Å; D763-F765 VanDerWaalsContact OD1-N 3.13Å; D763-M766 HydrophobicContact CB-CB 4.27Å; D763-M766 HydrophobicContact CB-CG 4.41Å; D763-M766 VanDerWaalsContact CG-CG 3.47Å; D763-M766 PolarHBondContact O-N 2.95Å; D763-M766 WeakPolarHBondContact OD1-CB 3.47Å; D763-M766 WeakPolarHBondContact OD1-CG 3.46Å; D763-M766 PolarHBondContact OD1-N 3.17Å; D763-M766 VanDerWaalsContact OD1-N 3.16Å; D763-M766 WeakPolarHBondContact OD2-CG 3.3Å; D763-L767 VanDerWaalsContact O-CG 3.27Å; D763-L767 WeakPolarHBondContact O-CG 3.43Å; D763-L767 PolarHBondContact O-N 3.21Å; D763-L767 VanDerWaalsContact O-N 3.13Å
764	N	88	Confident	86.1	Confident	106 Å²	106	85.8 Å²	85.8	57%	0.567	46%	0.46	S	S	*	.	H	α-helix	trans	-56.5	-34.5	179	-73.2	-2	0	0	0	112.6	D762 L767 E768	D762-N764 PolarHBondContact O-N 3.47Å; D762-N764 VanDerWaalsContact O-N 3.14Å; N764-L767 CarbonylContact O-C 3.54Å; N764-L767 PolarHBondContact O-N 3.42Å; N764-L767 VanDerWaalsContact O-N 3.1Å; N764-E768 PolarHBondContact ND2-OE1 3.27Å; N764-E768 WeakPolarHBondContact O-CB 3.32Å; N764-E768 VanDerWaalsContact O-CG 3.29Å; N764-E768 WeakPolarHBondContact O-CG 3.24Å; N764-E768 PolarHBondContact O-N 3.19Å
765	F	87.5	Confident	87	Confident	118.667 Å²	118.667	83.9 Å²	83.9	52%	0.52	45%	0.445	S	S	.	.	H	α-helix	trans	-62.6	-52.2	179.9	175.9	-97.2	0	0	0	110.6	D763 L767 E768 Q769 I778	D763-F765 PolarHBondContact O-N 3.16Å; D763-F765 WeakPolarHBondContact OD1-CB 3.43Å; D763-F765 PolarHBondContact OD1-N 3.29Å; D763-F765 VanDerWaalsContact OD1-N 3.13Å; F765-L767 VanDerWaalsContact C-N 3.25Å; F765-L767 PolarHBondContact O-N 3.31Å; F765-L767 VanDerWaalsContact O-N 3.09Å; F765-E768 PolarHBondContact O-N 3.17Å; F765-E768 VanDerWaalsContact O-N 3.14Å; F765-Q769 HydrophobicContact CD1-CG 4.45Å; F765-Q769 HydrophobicContact CD2-CG 4.26Å; F765-Q769 HydrophobicContact CE1-CG 4.12Å; F765-Q769 HydrophobicContact CE2-CG 4.12Å; F765-Q769 HydrophobicContact CZ-CG 3.92Å; F765-Q769 WeakPolarHBondContact O-CG 3.31Å; F765-Q769 PolarHBondContact O-N 3.09Å; F765-I778 HydrophobicContact CE1-CD1 4.22Å; F765-I778 HydrophobicContact CZ-CD1 4.49Å
766	M	85.6	Confident	87.5	Confident	44.6667 Å²	44.6667	81.4 Å²	81.4	22%	0.22	43%	0.434	C	S	.	.	H	α-helix	trans	-65.7	-18.1	177.3	-70	-61.1	-57.2	0	0	114	V757 C759 D763 E768 I771 I778	V757-M766 HydrophobicContact CG1-CE 4.29Å; C759-M766 HydrophobicContact CB-CB 3.78Å; C759-M766 HydrophobicContact CB-CG 4.27Å; D763-M766 HydrophobicContact CB-CB 4.27Å; D763-M766 HydrophobicContact CB-CG 4.41Å; D763-M766 VanDerWaalsContact CG-CG 3.47Å; D763-M766 PolarHBondContact O-N 2.95Å; D763-M766 WeakPolarHBondContact OD1-CB 3.47Å; D763-M766 WeakPolarHBondContact OD1-CG 3.46Å; D763-M766 PolarHBondContact OD1-N 3.17Å; D763-M766 VanDerWaalsContact OD1-N 3.16Å; D763-M766 WeakPolarHBondContact OD2-CG 3.3Å; M766-E768 VanDerWaalsContact C-N 3.35Å; M766-I771 HydrophobicContact CE-CD1 4.07Å; M766-I778 HydrophobicContact CE-CD1 4.22Å; M766-I778 HydrophobicContact SD-CD1 3.86Å
767	L	84.1	Confident	87.8	Confident	106.333 Å²	106.333	79.1 Å²	79.1	56%	0.557	42%	0.422	S	S	*	.	H	α-helix	trans	-91.9	-14.1	176.4	-67	171	0	0	0	113.6	D763 N764 F765	D763-L767 VanDerWaalsContact O-CG 3.27Å; D763-L767 WeakPolarHBondContact O-CG 3.43Å; D763-L767 PolarHBondContact O-N 3.21Å; D763-L767 VanDerWaalsContact O-N 3.13Å; N764-L767 CarbonylContact O-C 3.54Å; N764-L767 PolarHBondContact O-N 3.42Å; N764-L767 VanDerWaalsContact O-N 3.1Å; F765-L767 VanDerWaalsContact C-N 3.25Å; F765-L767 PolarHBondContact O-N 3.31Å; F765-L767 VanDerWaalsContact O-N 3.09Å
768	E	86.4	Confident	87.9	Confident	149 Å²	149	78.1 Å²	78.1	70%	0.696	42%	0.415	S	S	*	.	H	α-helix	trans	-102.7	-14.7	179.7	-74.3	174.3	-169.1	0	0	113.4	N764 F765 M766	N764-E768 PolarHBondContact ND2-OE1 3.27Å; N764-E768 WeakPolarHBondContact O-CB 3.32Å; N764-E768 VanDerWaalsContact O-CG 3.29Å; N764-E768 WeakPolarHBondContact O-CG 3.24Å; N764-E768 PolarHBondContact O-N 3.19Å; F765-E768 PolarHBondContact O-N 3.17Å; F765-E768 VanDerWaalsContact O-N 3.14Å; M766-E768 VanDerWaalsContact C-N 3.35Å
769	Q	86.1	Confident	87.5	Confident	73 Å²	73	70.7 Å²	70.7	34%	0.341	39%	0.387	S	S	.	.	S	Bend	trans	-85.5	143.3	176.3	-60.5	-44.3	-77.5	0	0	112.8	F765 I778	F765-Q769 HydrophobicContact CD1-CG 4.45Å; F765-Q769 HydrophobicContact CD2-CG 4.26Å; F765-Q769 HydrophobicContact CE1-CG 4.12Å; F765-Q769 HydrophobicContact CE2-CG 4.12Å; F765-Q769 HydrophobicContact CZ-CG 3.92Å; F765-Q769 WeakPolarHBondContact O-CG 3.31Å; F765-Q769 PolarHBondContact O-N 3.09Å; Q769-I778 HydrophobicContact CB-CD1 3.99Å; Q769-I778 HydrophobicContact CB-CG1 4.04Å; Q769-I778 HydrophobicContact CB-CG2 4.24Å; Q769-I778 HydrophobicContact CG-CD1 3.96Å; Q769-I778 HydrophobicContact CG-CG1 4.37Å; Q769-I778 HydrophobicContact CG-CG2 4.27Å
770	D	89	Confident	86.8	Confident	105.333 Å²	105.333	74.5 Å²	74.5	56%	0.563	40%	0.403	S	S	*	.			trans	-69	138.2	160.8	-79.8	-53.4	0	0	0	110.2	L784 C793	D770-L784 VanDerWaalsContact C-CD1 3.44Å; D770-L784 HydrophobicContact CB-CD1 3.63Å; D770-L784 WeakPolarHBondContact O-CD1 3.42Å; D770-C793 HydrophobicContact CB-CB 4.41Å; D770-C793 PolarHBondContact OD1-SG 3.06Å
771	I	89.3	Confident	86	Confident	46.3333 Å²	46.3333	74.5 Å²	74.5	24%	0.238	42%	0.415	C	S	.	.			trans	-126.7	138.6	-176.4	-59.3	176.5	0	0	0	109	V757 M766 I773 G776 I778	V757-I771 HydrophobicContact CG2-CG2 4.23Å; M766-I771 HydrophobicContact CE-CD1 4.07Å; I771-I773 PolarHBondContact O-N 2.9Å; I771-G776 VanDerWaalsContact CG2-C 3.47Å; I771-G776 WeakPolarHBondContact CG2-O 3.32Å; I771-I778 HydrophobicContact CG1-CG1 4.05Å
772	C	91.7	Very high	85.1	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-69.1	118.6	173.5	175.7	0	0	0	0	111.4	A774 C775 G776 S777 L784 C793 H795 C798	C772-A774 VanDerWaalsContact C-N 3.31Å; C772-A774 PolarHBondContact O-N 3.34Å; C772-A774 VanDerWaalsContact O-N 3.14Å; C772-A774 PolarHBondContact SG-N 3.49Å; C772-A774 VanDerWaalsContact SG-N 3.41Å; C772-C775 VanDerWaalsContact CB-SG 3.6Å; C772-C775 PolarHBondContact O-N 3.17Å; C772-C775 PolarHBondContact SG-SG 2.94Å; C772-C775 VanDerWaalsContact SG-SG 3.63Å; C772-G776 VanDerWaalsContact O-CA 3.27Å; C772-G776 WeakPolarHBondContact O-CA 3.37Å; C772-G776 PolarHBondContact O-N 3.09Å; C772-S777 WeakPolarHBondContact CB-O 3.35Å; C772-S777 PolarHBondContact N-O 3.29Å; C772-L784 HydrophobicContact CB-CD2 3.87Å; C772-C793 CarbonylContact C-O 3.58Å; C772-C793 VanDerWaalsContact CA-O 3.28Å; C772-C793 WeakPolarHBondContact CA-O 3.37Å; C772-H795 VanDerWaalsContact CB-CE1 3.45Å; C772-H795 WeakPolarHBondContact CB-CE1 3.44Å; C772-H795 VanDerWaalsContact CB-ND1 3.31Å; C772-H795 WeakPolarHBondContact CB-ND1 3.38Å; C772-H795 PolarHBondContact SG-N 3.3Å; C772-H795 VanDerWaalsContact SG-N 3.4Å; C772-C798 VanDerWaalsContact SG-SG 3.69Å
773	I	89.5	Confident	84.7	Confident	56.6667 Å²	56.6667	71.7 Å²	71.7	29%	0.291	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.1	-178.9	-170	170.8	0	0	0	113.7	S754 T755 I771 Q792 C793 Y794	S754-I773 WeakPolarHBondContact CA-O 3.15Å; T755-I773 PolarHBondContact N-O 3.19Å; T755-I773 VanDerWaalsContact N-O 3.13Å; I771-I773 PolarHBondContact O-N 2.9Å; I773-Q792 HydrophobicContact CD1-CG 4.27Å; I773-Q792 HydrophobicContact CG2-CB 4.45Å; I773-C793 PolarHBondContact N-O 2.92Å; I773-Y794 HydrophobicContact CG2-CD1 3.78Å; I773-Y794 HydrophobicContact CG2-CD2 4.31Å; I773-Y794 HydrophobicContact CG2-CE1 3.35Å; I773-Y794 HydrophobicContact CG2-CE2 3.92Å; I773-Y794 HydrophobicContact CG2-CG 4.23Å; I773-Y794 VanDerWaalsContact CG2-CZ 3.44Å
774	A	87.8	Confident	84.6	Confident	20 Å²	20	71 Å²	71	17%	0.165	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-45.8	-179.3	0	0	0	0	0	113	P753 T755 C772 C798	P753-A774 CarbonylContact O-C 3.52Å; P753-A774 VanDerWaalsContact O-CA 3.29Å; P753-A774 WeakPolarHBondContact O-CA 3.18Å; P753-A774 VanDerWaalsContact O-O 3.09Å; T755-A774 VanDerWaalsContact CB-O 3.3Å; T755-A774 WeakPolarHBondContact CB-O 3.4Å; T755-A774 PolarHBondContact OG1-O 3.21Å; C772-A774 VanDerWaalsContact C-N 3.31Å; C772-A774 PolarHBondContact O-N 3.34Å; C772-A774 VanDerWaalsContact O-N 3.14Å; C772-A774 PolarHBondContact SG-N 3.49Å; C772-A774 VanDerWaalsContact SG-N 3.41Å; A774-C798 HydrophobicContact CB-CB 4Å
775	C	90	Very high	84.7	Confident	49.6667 Å²	49.6667	66.9 Å²	66.9	34%	0.336	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-6	-173.2	67.9	0	0	0	0	115.1	C772 S777 H795	C772-C775 VanDerWaalsContact CB-SG 3.6Å; C772-C775 PolarHBondContact O-N 3.17Å; C772-C775 PolarHBondContact SG-SG 2.94Å; C772-C775 VanDerWaalsContact SG-SG 3.63Å; C775-S777 VanDerWaalsContact C-N 3.31Å; C775-S777 PolarHBondContact O-N 3.23Å; C775-S777 PolarHBondContact SG-OG 3.26Å; C775-H795 VanDerWaalsContact SG-CE1 3.5Å; C775-H795 PolarHBondContact SG-ND1 3.22Å; C775-H795 VanDerWaalsContact SG-ND1 3.37Å
776	G	87.9	Confident	84.9	Confident	16 Å²	16	63.8 Å²	63.8	17%	0.165	36%	0.364	C	S	.	.			trans	72	8.5	177.2	0	0	0	0	0	116	V757 I771 C772	V757-G776 WeakPolarHBondContact CG2-O 3.2Å; I771-G776 VanDerWaalsContact CG2-C 3.47Å; I771-G776 WeakPolarHBondContact CG2-O 3.32Å; C772-G776 VanDerWaalsContact O-CA 3.27Å; C772-G776 WeakPolarHBondContact O-CA 3.37Å; C772-G776 PolarHBondContact O-N 3.09Å
777	S	88.7	Confident	85.2	Confident	55.3333 Å²	55.3333	61.9 Å²	61.9	39%	0.387	35%	0.354	S	S	.	.			trans	-104.1	159	179.2	62.3	0	0	0	0	113.4	C772 C775 H795	C772-S777 WeakPolarHBondContact CB-O 3.35Å; C772-S777 PolarHBondContact N-O 3.29Å; C775-S777 VanDerWaalsContact C-N 3.31Å; C775-S777 PolarHBondContact O-N 3.23Å; C775-S777 PolarHBondContact SG-OG 3.26Å; S777-H795 PolarHBondContact O-CE1 3.1Å; S777-H795 PolarHBondContact OG-CE1 3.07Å; S777-H795 VanDerWaalsContact OG-CE1 3.31Å
778	I	86.7	Confident	85.5	Confident	39 Å²	39	59.8 Å²	59.8	20%	0.2	35%	0.349	C	S	.	.			trans	-87.9	138.8	178.7	-62.2	157.1	0	0	0	109.1	F765 M766 Q769 I771 L780	F765-I778 HydrophobicContact CE1-CD1 4.22Å; F765-I778 HydrophobicContact CZ-CD1 4.49Å; M766-I778 HydrophobicContact CE-CD1 4.22Å; M766-I778 HydrophobicContact SD-CD1 3.86Å; Q769-I778 HydrophobicContact CB-CD1 3.99Å; Q769-I778 HydrophobicContact CB-CG1 4.04Å; Q769-I778 HydrophobicContact CB-CG2 4.24Å; Q769-I778 HydrophobicContact CG-CD1 3.96Å; Q769-I778 HydrophobicContact CG-CG1 4.37Å; Q769-I778 HydrophobicContact CG-CG2 4.27Å; I771-I778 HydrophobicContact CG1-CG1 4.05Å; I778-L780 VanDerWaalsContact C-N 3.33Å; I778-L780 HydrophobicContact CG2-CD2 4.15Å; I778-L780 HydrophobicContact CG2-CG 4.36Å; I778-L780 PolarHBondContact O-N 3.17Å; I778-L780 VanDerWaalsContact O-N 3.08Å
779	G	75.8	Confident	85.6	Confident	19 Å²	19	57.5 Å²	57.5	20%	0.196	34%	0.338	C	S	.	.			trans	-79.6	71.6	-179.2	0	0	0	0	0	113.9	T782 H795	G779-T782 CarbonylContact C-O 3.49Å; G779-T782 VanDerWaalsContact CA-O 3.26Å; G779-T782 WeakPolarHBondContact CA-O 3.25Å; G779-T782 CarbonylContact O-C 3.57Å; G779-T782 VanDerWaalsContact O-O 3.08Å; G779-H795 WeakPolarHBondContact CA-NE2 3.3Å; G779-H795 PolarHBondContact N-NE2 2.65Å
780	L	70.6	Confident	85.9	Confident	140 Å²	140	56 Å²	56	73%	0.733	34%	0.335	S	S	*	.	S	Bend	trans	-70.2	-46.6	178.5	-64.6	176.4	0	0	0	112.4	I778	I778-L780 VanDerWaalsContact C-N 3.33Å; I778-L780 HydrophobicContact CG2-CD2 4.15Å; I778-L780 HydrophobicContact CG2-CG 4.36Å; I778-L780 PolarHBondContact O-N 3.17Å; I778-L780 VanDerWaalsContact O-N 3.08Å
781	D	72.1	Confident	86	Confident	164 Å²	164	53 Å²	53	88%	0.877	33%	0.329	S	S	*	.	S	Bend	trans	-95.2	-15	-176.4	-55.2	-47.2	0	0	0	113.6
782	T	71.1	Confident	86.1	Confident	48.3333 Å²	48.3333	54.4 Å²	54.4	30%	0.297	34%	0.335	S	S	.	.	S	Bend	trans	-138	129.9	177.6	56.6	0	0	0	0	110.5	G779 L784 H795	G779-T782 CarbonylContact C-O 3.49Å; G779-T782 VanDerWaalsContact CA-O 3.26Å; G779-T782 WeakPolarHBondContact CA-O 3.25Å; G779-T782 CarbonylContact O-C 3.57Å; G779-T782 VanDerWaalsContact O-O 3.08Å; T782-L784 PolarHBondContact O-N 3.09Å; T782-H795 PolarHBondContact OG1-CD2 3.46Å
783	P	80.9	Confident	86.1	Confident	96.6667 Å²	96.6667	54.8 Å²	54.8	63%	0.628	34%	0.337	S	S	*	.			trans	-64.1	137.4	-179.9	26.9	-34.4	0	0	0	110.9
784	L	88.9	Confident	86.2	Confident	38 Å²	38	52.8 Å²	52.8	20%	0.199	33%	0.326	C	S	.	.			trans	-71.7	133.8	177.9	-70.8	169.5	0	0	0	111.2	D770 C772 T782 A786 C793 Y794 H795	D770-L784 VanDerWaalsContact C-CD1 3.44Å; D770-L784 HydrophobicContact CB-CD1 3.63Å; D770-L784 WeakPolarHBondContact O-CD1 3.42Å; C772-L784 HydrophobicContact CB-CD2 3.87Å; T782-L784 PolarHBondContact O-N 3.09Å; L784-A786 PolarHBondContact O-N 2.9Å; L784-C793 HydrophobicContact CB-CB 4.11Å; L784-C793 HydrophobicContact CD1-CB 4.19Å; L784-Y794 CarbonylContact C-O 3.31Å; L784-Y794 WeakPolarHBondContact CA-O 3.34Å; L784-Y794 VanDerWaalsContact CD2-C 3.47Å; L784-H795 VanDerWaalsContact CD2-CD2 3.41Å; L784-H795 WeakPolarHBondContact CD2-CD2 2.96Å
785	L	89.1	Confident	86.3	Confident	19 Å²	19	52.1 Å²	52.1	10%	0.099	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	105.6	174	-140.6	96.2	0	0	0	109	C793 Y794 V801 I804 M808 W813	L785-C793 WeakPolarHBondContact O-CA 3.39Å; L785-Y794 WeakPolarHBondContact CB-O 3.48Å; L785-Y794 PolarHBondContact N-O 3.12Å; L785-Y794 PolarHBondContact O-N 3.25Å; L785-V801 HydrophobicContact CD1-CB 3.88Å; L785-V801 HydrophobicContact CD1-CG1 4Å; L785-V801 HydrophobicContact CD1-CG2 3.79Å; L785-V801 HydrophobicContact CD2-CB 4.33Å; L785-V801 HydrophobicContact CD2-CG1 4.18Å; L785-V801 HydrophobicContact CD2-CG2 3.85Å; L785-I804 HydrophobicContact CD1-CD1 4.22Å; L785-I804 HydrophobicContact CD1-CG1 4.41Å; L785-I804 HydrophobicContact CD2-CD1 3.79Å; L785-I804 HydrophobicContact CD2-CG1 4.06Å; L785-I804 HydrophobicContact CD2-CG2 4.37Å; L785-I804 HydrophobicContact CG-CD1 4.39Å; L785-M808 HydrophobicContact CD1-SD 4.44Å; L785-M808 HydrophobicContact CD2-CE 3.95Å; L785-M808 HydrophobicContact CD2-SD 4.41Å; L785-W813 HydrophobicContact CB-CD2 4.15Å; L785-W813 HydrophobicContact CB-CE3 4.06Å; L785-W813 HydrophobicContact CB-CZ3 4.21Å; L785-W813 HydrophobicContact CD1-CB 4.24Å; L785-W813 HydrophobicContact CD1-CD2 4.4Å; L785-W813 HydrophobicContact CD1-CE3 4.45Å; L785-W813 HydrophobicContact CD1-CG 4.36Å; L785-W813 HydrophobicContact CD2-CB 4.44Å; L785-W813 HydrophobicContact CD2-CD2 3.46Å; L785-W813 HydrophobicContact CD2-CE3 3.82Å; L785-W813 HydrophobicContact CD2-CG 3.77Å; L785-W813 HydrophobicContact CD2-CH2 4.36Å; L785-W813 HydrophobicContact CD2-CZ2 4.08Å; L785-W813 HydrophobicContact CD2-CZ3 4.24Å; L785-W813 HydrophobicContact CG-CB 4.4Å; L785-W813 HydrophobicContact CG-CD2 3.69Å; L785-W813 HydrophobicContact CG-CE3 3.58Å; L785-W813 HydrophobicContact CG-CG 4.06Å; L785-W813 HydrophobicContact CG-CZ3 4.07Å; L785-W813 WeakPolarHBondContact O-CZ3 3.43Å
786	A	91.3	Very high	86.2	Confident	54.3333 Å²	54.3333	51.1 Å²	51.1	45%	0.449	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	129.4	177.3	0	0	0	0	0	111.3	L784 S788	L784-A786 PolarHBondContact O-N 2.9Å; A786-S788 PolarHBondContact O-N 3.04Å
787	C	92.5	Very high	86.2	Confident	4 Å²	4	56.7 Å²	56.7	3%	0.027	33%	0.333	C	S	.	.			trans	-71	123.6	175	173.2	0	0	0	0	111.5	Q789 C790 G791 Q792 W813 C815 C818	C787-Q789 PolarHBondContact O-N 3.06Å; C787-Q789 VanDerWaalsContact O-N 3.16Å; C787-Q789 PolarHBondContact SG-N 3.22Å; C787-C790 VanDerWaalsContact CB-SG 3.51Å; C787-C790 WeakPolarHBondContact CB-SG 3.42Å; C787-C790 PolarHBondContact O-N 2.75Å; C787-C790 PolarHBondContact SG-SG 2.93Å; C787-G791 VanDerWaalsContact O-CA 3.29Å; C787-G791 WeakPolarHBondContact O-CA 3.32Å; C787-G791 PolarHBondContact O-N 3.04Å; C787-Q792 PolarHBondContact N-O 2.82Å; C787-W813 HydrophobicContact CB-CE3 4.22Å; C787-W813 HydrophobicContact CB-CZ3 3.95Å; C787-C815 HydrophobicContact CB-CB 4.07Å; C787-C815 PolarHBondContact SG-N 3.2Å; C787-C815 VanDerWaalsContact SG-N 3.36Å; C787-C815 VanDerWaalsContact SG-SG 3.64Å; C787-C818 VanDerWaalsContact SG-CB 3.58Å
788	S	90.2	Very high	86.2	Confident	62.6667 Å²	62.6667	55.7 Å²	55.7	44%	0.438	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-6.9	-179.3	59.2	0	0	0	0	116.2	A786 G812 W813 R814	A786-S788 PolarHBondContact O-N 3.04Å; S788-G812 PolarHBondContact OG-O 2.93Å; S788-W813 VanDerWaalsContact CB-O 3.26Å; S788-W813 WeakPolarHBondContact CB-O 3.25Å; S788-W813 PolarHBondContact N-O 2.92Å; S788-W813 PolarHBondContact OG-O 3.07Å; S788-R814 WeakPolarHBondContact OG-CG 3.17Å; S788-R814 PolarHBondContact OG-NH1 3.15Å; S788-R814 VanDerWaalsContact OG-NH1 3.09Å
789	Q	87.9	Confident	86.2	Confident	99.3333 Å²	99.3333	54.6 Å²	54.6	46%	0.464	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-53	176.9	-63.5	-139.2	-4.6	0	0	113.1	C787 R814 C818	C787-Q789 PolarHBondContact O-N 3.06Å; C787-Q789 VanDerWaalsContact O-N 3.16Å; C787-Q789 PolarHBondContact SG-N 3.22Å; Q789-R814 HydrophobicContact CG-CG 4.4Å; Q789-C818 HydrophobicContact CB-CB 3.9Å; Q789-C818 HydrophobicContact CG-CB 4.25Å; Q789-C818 PolarHBondContact NE2-O 3.25Å; Q789-C818 PolarHBondContact OE1-O 3.08Å
790	C	93.4	Very high	86.6	Confident	43 Å²	43	61.7 Å²	61.7	29%	0.291	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-8.2	-174.8	66.1	0	0	0	0	114.5	C787 Q792 C815 C818	C787-C790 VanDerWaalsContact CB-SG 3.51Å; C787-C790 WeakPolarHBondContact CB-SG 3.42Å; C787-C790 PolarHBondContact O-N 2.75Å; C787-C790 PolarHBondContact SG-SG 2.93Å; C790-Q792 HydrophobicContact CB-CG 4.28Å; C790-Q792 PolarHBondContact O-N 3Å; C790-Q792 VanDerWaalsContact O-N 3.12Å; C790-Q792 PolarHBondContact O-NE2 3.01Å; C790-Q792 VanDerWaalsContact O-NE2 3.15Å; C790-Q792 VanDerWaalsContact SG-CG 3.59Å; C790-C815 VanDerWaalsContact SG-SG 3.62Å; C790-C818 VanDerWaalsContact SG-SG 3.64Å
791	G	91.5	Very high	87.3	Confident	42 Å²	42	55.2 Å²	55.2	43%	0.433	32%	0.316	S	S	.	.			trans	68.2	4.5	-177.5	0	0	0	0	0	114.9	C787	C787-G791 VanDerWaalsContact O-CA 3.29Å; C787-G791 WeakPolarHBondContact O-CA 3.32Å; C787-G791 PolarHBondContact O-N 3.04Å
792	Q	90.8	Very high	87.7	Confident	76.3333 Å²	76.3333	52.8 Å²	52.8	36%	0.357	31%	0.31	S	S	.	.			trans	-72.1	139.2	177.9	-60.3	-54.7	-48.8	0	0	110.7	I773 C787 C790 Y794	I773-Q792 HydrophobicContact CD1-CG 4.27Å; I773-Q792 HydrophobicContact CG2-CB 4.45Å; C787-Q792 PolarHBondContact N-O 2.82Å; C790-Q792 HydrophobicContact CB-CG 4.28Å; C790-Q792 PolarHBondContact O-N 3Å; C790-Q792 VanDerWaalsContact O-N 3.12Å; C790-Q792 PolarHBondContact O-NE2 3.01Å; C790-Q792 VanDerWaalsContact O-NE2 3.15Å; C790-Q792 VanDerWaalsContact SG-CG 3.59Å; Q792-Y794 HydrophobicContact CB-CE2 3.82Å; Q792-Y794 WeakPolarHBondContact O-CD2 3.28Å; Q792-Y794 WeakPolarHBondContact O-CE2 3.4Å
793	C	91.6	Very high	88.2	Confident	7 Å²	7	58.2 Å²	58.2	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	142.7	-174.6	-71.4	0	0	0	0	111.2	D770 C772 I773 L784 L785	D770-C793 HydrophobicContact CB-CB 4.41Å; D770-C793 PolarHBondContact OD1-SG 3.06Å; C772-C793 CarbonylContact C-O 3.58Å; C772-C793 VanDerWaalsContact CA-O 3.28Å; C772-C793 WeakPolarHBondContact CA-O 3.37Å; I773-C793 PolarHBondContact N-O 2.92Å; L784-C793 HydrophobicContact CB-CB 4.11Å; L784-C793 HydrophobicContact CD1-CB 4.19Å; L785-C793 WeakPolarHBondContact O-CA 3.39Å
794	Y	91.6	Very high	88.5	Confident	15.3333 Å²	15.3333	57 Å²	57	6%	0.06	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145.3	-178.5	-58.4	-110.3	0	0	0	109.7	H752 I773 L784 L785 Q792 A799 W813 C815 D817	H752-Y794 AromaticContact CD2-CE1 3.73Å; H752-Y794 PolarHBondContact CE1-OH 3.22Å; H752-Y794 AromaticContact NE2-CE1 3.76Å; H752-Y794 AromaticContact NE2-CZ 3.87Å; H752-Y794 PolarHBondContact NE2-OH 3.21Å; H752-Y794 VanDerWaalsContact NE2-OH 3.11Å; I773-Y794 HydrophobicContact CG2-CD1 3.78Å; I773-Y794 HydrophobicContact CG2-CD2 4.31Å; I773-Y794 HydrophobicContact CG2-CE1 3.35Å; I773-Y794 HydrophobicContact CG2-CE2 3.92Å; I773-Y794 HydrophobicContact CG2-CG 4.23Å; I773-Y794 VanDerWaalsContact CG2-CZ 3.44Å; L784-Y794 CarbonylContact C-O 3.31Å; L784-Y794 WeakPolarHBondContact CA-O 3.34Å; L784-Y794 VanDerWaalsContact CD2-C 3.47Å; L785-Y794 WeakPolarHBondContact CB-O 3.48Å; L785-Y794 PolarHBondContact N-O 3.12Å; L785-Y794 PolarHBondContact O-N 3.25Å; Q792-Y794 HydrophobicContact CB-CE2 3.82Å; Q792-Y794 WeakPolarHBondContact O-CD2 3.28Å; Q792-Y794 WeakPolarHBondContact O-CE2 3.4Å; Y794-A799 HydrophobicContact CD1-CB 4.27Å; Y794-A799 HydrophobicContact CG-CB 4.26Å; Y794-W813 AromaticContact CD2-CH2 3.57Å; Y794-W813 HydrophobicContact CD2-CH2 3.57Å; Y794-W813 AromaticContact CD2-CZ3 3.7Å; Y794-W813 HydrophobicContact CD2-CZ3 3.7Å; Y794-W813 AromaticContact CE2-CH2 3.94Å; Y794-W813 HydrophobicContact CE2-CH2 3.97Å; Y794-W813 HydrophobicContact CE2-CZ3 4.14Å; Y794-W813 AromaticContact CG-CH2 3.92Å; Y794-W813 HydrophobicContact CG-CH2 3.98Å; Y794-W813 HydrophobicContact CG-CZ3 4.38Å; Y794-C815 HydrophobicContact CD2-CB 4.41Å; Y794-C815 HydrophobicContact CE2-CB 3.55Å; Y794-C815 WeakPolarHBondContact OH-CB 3.4Å; Y794-C815 PolarHBondContact OH-SG 2.99Å; Y794-D817 PolarHBondContact OH-OD2 3.45Å
795	H	89.4	Confident	88.4	Confident	5.66667 Å²	5.66667	56.8 Å²	56.8	3%	0.026	32%	0.317	C	S	.	.			trans	-66.8	150.9	161.1	-60.7	105.7	0	0	0	109.6	C772 C775 S777 G779 T782 L784 F797 C798 A799	C772-H795 VanDerWaalsContact CB-CE1 3.45Å; C772-H795 WeakPolarHBondContact CB-CE1 3.44Å; C772-H795 VanDerWaalsContact CB-ND1 3.31Å; C772-H795 WeakPolarHBondContact CB-ND1 3.38Å; C772-H795 PolarHBondContact SG-N 3.3Å; C772-H795 VanDerWaalsContact SG-N 3.4Å; C775-H795 VanDerWaalsContact SG-CE1 3.5Å; C775-H795 PolarHBondContact SG-ND1 3.22Å; C775-H795 VanDerWaalsContact SG-ND1 3.37Å; S777-H795 PolarHBondContact O-CE1 3.1Å; S777-H795 PolarHBondContact OG-CE1 3.07Å; S777-H795 VanDerWaalsContact OG-CE1 3.31Å; G779-H795 WeakPolarHBondContact CA-NE2 3.3Å; G779-H795 PolarHBondContact N-NE2 2.65Å; T782-H795 PolarHBondContact OG1-CD2 3.46Å; L784-H795 VanDerWaalsContact CD2-CD2 3.41Å; L784-H795 WeakPolarHBondContact CD2-CD2 2.96Å; H795-F797 VanDerWaalsContact C-N 3.3Å; H795-F797 HydrophobicContact CB-CD1 3.75Å; H795-F797 HydrophobicContact CB-CD2 4.39Å; H795-F797 HydrophobicContact CB-CE1 3.42Å; H795-F797 VanDerWaalsContact CB-CE1 3.42Å; H795-F797 HydrophobicContact CB-CE2 4.1Å; H795-F797 HydrophobicContact CB-CG 4.23Å; H795-F797 HydrophobicContact CB-CZ 3.6Å; H795-F797 AromaticContact CG-CE1 3.72Å; H795-F797 AromaticContact CG-CZ 3.63Å; H795-F797 AromaticContact ND1-CZ 3.74Å; H795-F797 PolarHBondContact O-N 3.11Å; H795-C798 HydrophobicContact CB-CB 4.01Å; H795-C798 CarbonylContact O-C 3.51Å; H795-C798 WeakPolarHBondContact O-CA 3.26Å; H795-C798 WeakPolarHBondContact O-CB 3.32Å; H795-C798 PolarHBondContact O-N 2.96Å; H795-C798 VanDerWaalsContact O-N 3.08Å; H795-A799 WeakPolarHBondContact O-CB 3.37Å; H795-A799 PolarHBondContact O-N 3.25Å
796	S	88.5	Confident	88.3	Confident	28.3333 Å²	28.3333	64.6 Å²	64.6	20%	0.198	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-46.4	176.5	56.3	0	0	0	0	112	C798 A799 E800 V801	S796-C798 PolarHBondContact O-N 3.49Å; S796-A799 CarbonylContact O-C 3.44Å; S796-A799 PolarHBondContact O-N 3.04Å; S796-E800 PolarHBondContact O-N 3.05Å; S796-V801 CarbonylContact C-O 3.44Å; S796-V801 WeakPolarHBondContact CB-O 3.42Å; S796-V801 PolarHBondContact O-N 3.2Å
797	F	87.6	Confident	88.1	Confident	132.667 Å²	132.667	62.6 Å²	62.6	58%	0.582	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-68.1	-32.5	175.8	62.3	-93.7	0	0	0	113.7	H795 A799 E800	H795-F797 VanDerWaalsContact C-N 3.3Å; H795-F797 HydrophobicContact CB-CD1 3.75Å; H795-F797 HydrophobicContact CB-CD2 4.39Å; H795-F797 HydrophobicContact CB-CE1 3.42Å; H795-F797 VanDerWaalsContact CB-CE1 3.42Å; H795-F797 HydrophobicContact CB-CE2 4.1Å; H795-F797 HydrophobicContact CB-CG 4.23Å; H795-F797 HydrophobicContact CB-CZ 3.6Å; H795-F797 AromaticContact CG-CE1 3.72Å; H795-F797 AromaticContact CG-CZ 3.63Å; H795-F797 AromaticContact ND1-CZ 3.74Å; H795-F797 PolarHBondContact O-N 3.11Å; F797-A799 VanDerWaalsContact C-N 3.26Å; F797-A799 PolarHBondContact O-N 3.42Å; F797-E800 PolarHBondContact O-N 3.31Å
798	C	89.2	Confident	88	Confident	34 Å²	34	62.7 Å²	62.7	23%	0.23	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-74.5	-17.3	175.1	-74.1	0	0	0	0	113.9	C772 A774 H795 S796	C772-C798 VanDerWaalsContact SG-SG 3.69Å; A774-C798 HydrophobicContact CB-CB 4Å; H795-C798 HydrophobicContact CB-CB 4.01Å; H795-C798 CarbonylContact O-C 3.51Å; H795-C798 WeakPolarHBondContact O-CA 3.26Å; H795-C798 WeakPolarHBondContact O-CB 3.32Å; H795-C798 PolarHBondContact O-N 2.96Å; H795-C798 VanDerWaalsContact O-N 3.08Å; S796-C798 PolarHBondContact O-N 3.49Å
799	A	86.3	Confident	87.8	Confident	16.3333 Å²	16.3333	65.6 Å²	65.6	14%	0.135	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-101.8	9.6	173.4	0	0	0	0	0	112.5	Y794 H795 S796 F797 V801 W813	Y794-A799 HydrophobicContact CD1-CB 4.27Å; Y794-A799 HydrophobicContact CG-CB 4.26Å; H795-A799 WeakPolarHBondContact O-CB 3.37Å; H795-A799 PolarHBondContact O-N 3.25Å; S796-A799 CarbonylContact O-C 3.44Å; S796-A799 PolarHBondContact O-N 3.04Å; F797-A799 VanDerWaalsContact C-N 3.26Å; F797-A799 PolarHBondContact O-N 3.42Å; A799-V801 HydrophobicContact CB-CB 4.5Å; A799-V801 HydrophobicContact CB-CG2 4.07Å; A799-V801 PolarHBondContact O-N 3.19Å; A799-V801 VanDerWaalsContact O-N 3.16Å; A799-W813 HydrophobicContact CB-CH2 3.9Å; A799-W813 HydrophobicContact CB-CZ2 3.7Å
800	E	84.4	Confident	87.8	Confident	169 Å²	169	66.4 Å²	66.4	79%	0.79	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	31.2	-175.3	-57.3	-172.9	173.2	0	0	113.6	S796 F797 P802	S796-E800 PolarHBondContact O-N 3.05Å; F797-E800 PolarHBondContact O-N 3.31Å; E800-P802 VanDerWaalsContact O-CD 3.22Å; E800-P802 WeakPolarHBondContact O-CD 3.4Å
801	V	86.1	Confident	87.4	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.018	35%	0.35	C	S	.	.			trans	-93.6	101.1	174	176.2	0	0	0	0	108.6	L785 S796 A799 K803 I804 M808 W813	L785-V801 HydrophobicContact CD1-CB 3.88Å; L785-V801 HydrophobicContact CD1-CG1 4Å; L785-V801 HydrophobicContact CD1-CG2 3.79Å; L785-V801 HydrophobicContact CD2-CB 4.33Å; L785-V801 HydrophobicContact CD2-CG1 4.18Å; L785-V801 HydrophobicContact CD2-CG2 3.85Å; S796-V801 CarbonylContact C-O 3.44Å; S796-V801 WeakPolarHBondContact CB-O 3.42Å; S796-V801 PolarHBondContact O-N 3.2Å; A799-V801 HydrophobicContact CB-CB 4.5Å; A799-V801 HydrophobicContact CB-CG2 4.07Å; A799-V801 PolarHBondContact O-N 3.19Å; A799-V801 VanDerWaalsContact O-N 3.16Å; V801-K803 VanDerWaalsContact C-N 3.31Å; V801-K803 WeakPolarHBondContact CG1-O 3.39Å; V801-K803 PolarHBondContact O-N 2.84Å; V801-I804 HydrophobicContact CG1-CG1 4.43Å; V801-M808 HydrophobicContact CB-CE 4.43Å; V801-M808 HydrophobicContact CG1-CE 3.62Å; V801-M808 HydrophobicContact CG1-SD 3.9Å; V801-M808 HydrophobicContact CG2-CE 4.01Å; V801-W813 HydrophobicContact CG2-CZ2 4.42Å
802	P	78.6	Confident	87.3	Confident	112.75 Å²	112.75	69 Å²	69	73%	0.732	34%	0.343	S	S	*	.	S	Bend	trans	-71	-27.2	-176.3	28.5	-36	0	0	0	112.9	E800	E800-P802 VanDerWaalsContact O-CD 3.22Å; E800-P802 WeakPolarHBondContact O-CD 3.4Å
803	K	83.4	Confident	87.2	Confident	162 Å²	162	66.3 Å²	66.3	70%	0.704	33%	0.329	S	S	*	.	S	Bend	trans	-147.9	132.5	178.2	-62.5	-176.4	-177.4	177	0	109.8	V801 T805	V801-K803 VanDerWaalsContact C-N 3.31Å; V801-K803 WeakPolarHBondContact CG1-O 3.39Å; V801-K803 PolarHBondContact O-N 2.84Å; K803-T805 PolarHBondContact O-N 3.04Å
804	I	86.9	Confident	87.2	Confident	73 Å²	73	68.5 Å²	68.5	37%	0.374	34%	0.337	S	S	.	.			trans	-77.3	109	170.9	-55.3	175	0	0	0	107.4	L785 V801 M808 I809	L785-I804 HydrophobicContact CD1-CD1 4.22Å; L785-I804 HydrophobicContact CD1-CG1 4.41Å; L785-I804 HydrophobicContact CD2-CD1 3.79Å; L785-I804 HydrophobicContact CD2-CG1 4.06Å; L785-I804 HydrophobicContact CD2-CG2 4.37Å; L785-I804 HydrophobicContact CG-CD1 4.39Å; V801-I804 HydrophobicContact CG1-CG1 4.43Å; I804-M808 HydrophobicContact CG2-SD 4.35Å; I804-I809 HydrophobicContact CG2-CD1 4.11Å; I804-I809 HydrophobicContact CG2-CG1 3.92Å
805	T	86.4	Confident	87.2	Confident	33 Å²	33	67.9 Å²	67.9	20%	0.202	33%	0.334	C	S	.	.			trans	-91.5	157.9	-178.3	55.9	0	0	0	0	112.6	K803 T807 M808 I809 D838 C839	K803-T805 PolarHBondContact O-N 3.04Å; T805-T807 VanDerWaalsContact C-N 3.27Å; T805-T807 PolarHBondContact O-N 3.08Å; T805-T807 VanDerWaalsContact O-N 3.07Å; T805-M808 WeakPolarHBondContact O-CA 3.46Å; T805-M808 VanDerWaalsContact O-CB 3.31Å; T805-M808 WeakPolarHBondContact O-CB 3.4Å; T805-M808 PolarHBondContact O-N 2.98Å; T805-M808 WeakPolarHBondContact OG1-CG 3.22Å; T805-I809 PolarHBondContact O-N 3.13Å; T805-D838 VanDerWaalsContact CB-O 3.29Å; T805-D838 WeakPolarHBondContact CB-O 3.39Å; T805-D838 HydrophobicContact CG2-CB 4.34Å; T805-D838 WeakPolarHBondContact CG2-O 3.35Å; T805-D838 PolarHBondContact OG1-O 3.07Å; T805-C839 WeakPolarHBondContact OG1-CB 3.4Å
806	R	86.4	Confident	87	Confident	182 Å²	182	72.1 Å²	72.1	69%	0.687	36%	0.357	S	S	*	.	H	α-helix	trans	-52.5	-41.1	176.7	-180	175.2	172.1	160.3	4.1	112.3	M808 I809 E810	R806-M808 VanDerWaalsContact C-N 3.33Å; R806-M808 PolarHBondContact O-N 3.07Å; R806-I809 WeakPolarHBondContact O-CB 3.39Å; R806-I809 PolarHBondContact O-N 3.17Å; R806-I809 VanDerWaalsContact O-N 3.13Å; R806-E810 HydrophobicContact CG-CG 4.22Å; R806-E810 WeakPolarHBondContact CG-OE2 3.32Å; R806-E810 IonicContact CZ-OE1 3.2Å; R806-E810 VanDerWaalsContact CZ-OE1 3.22Å; R806-E810 IonicContact CZ-OE2 2.83Å; R806-E810 IonicContact NE-OE1 3.23Å; R806-E810 PolarHBondContact NE-OE1 3.04Å; R806-E810 IonicContact NE-OE2 3.5Å; R806-E810 PolarHBondContact NE-OE2 2.8Å; R806-E810 IonicContact NH2-OE1 3.41Å; R806-E810 PolarHBondContact NH2-OE1 3.16Å; R806-E810 IonicContact NH2-OE2 2.58Å; R806-E810 WeakPolarHBondContact O-CG 3.36Å; R806-E810 PolarHBondContact O-N 3.33Å
807	T	87.8	Confident	87	Confident	13.5 Å²	13.5	76.4 Å²	76.4	8%	0.083	38%	0.378	C	S	.	.	H	α-helix	trans	-61.6	-38.9	177.5	-42.1	0	0	0	0	112.5	T805 I809 E810 K811 C839 I841 D864 C865	T805-T807 VanDerWaalsContact C-N 3.27Å; T805-T807 PolarHBondContact O-N 3.08Å; T805-T807 VanDerWaalsContact O-N 3.07Å; T807-I809 VanDerWaalsContact C-N 3.3Å; T807-I809 PolarHBondContact O-N 2.96Å; T807-E810 PolarHBondContact O-N 2.85Å; T807-K811 HydrophobicContact CG2-CG 4.1Å; T807-K811 VanDerWaalsContact O-CB 3.27Å; T807-K811 WeakPolarHBondContact O-CB 3.44Å; T807-K811 VanDerWaalsContact O-CG 3.28Å; T807-K811 WeakPolarHBondContact O-CG 3.37Å; T807-K811 PolarHBondContact O-N 3.2Å; T807-C839 HydrophobicContact CG2-CB 4.29Å; T807-I841 HydrophobicContact CG2-CD1 3.75Å; T807-D864 HydrophobicContact CG2-CB 3.63Å; T807-C865 VanDerWaalsContact CB-SG 3.57Å; T807-C865 PolarHBondContact OG1-SG 3.06Å
808	M	89.4	Confident	87.2	Confident	6 Å²	6	71 Å²	71	3%	0.03	36%	0.356	C	S	.	.	H	α-helix	trans	-64.2	-35.1	174.9	-121.1	-179.7	-89	0	0	112.2	L785 V801 I804 T805 R806 G812 W813 C839 N840	L785-M808 HydrophobicContact CD1-SD 4.44Å; L785-M808 HydrophobicContact CD2-CE 3.95Å; L785-M808 HydrophobicContact CD2-SD 4.41Å; V801-M808 HydrophobicContact CB-CE 4.43Å; V801-M808 HydrophobicContact CG1-CE 3.62Å; V801-M808 HydrophobicContact CG1-SD 3.9Å; V801-M808 HydrophobicContact CG2-CE 4.01Å; I804-M808 HydrophobicContact CG2-SD 4.35Å; T805-M808 WeakPolarHBondContact O-CA 3.46Å; T805-M808 VanDerWaalsContact O-CB 3.31Å; T805-M808 WeakPolarHBondContact O-CB 3.4Å; T805-M808 PolarHBondContact O-N 2.98Å; T805-M808 WeakPolarHBondContact OG1-CG 3.22Å; R806-M808 VanDerWaalsContact C-N 3.33Å; R806-M808 PolarHBondContact O-N 3.07Å; M808-G812 CarbonylContact O-C 3.39Å; M808-G812 VanDerWaalsContact O-CA 3.25Å; M808-G812 WeakPolarHBondContact O-CA 3.33Å; M808-G812 PolarHBondContact O-N 3.08Å; M808-G812 VanDerWaalsContact O-N 3.1Å; M808-W813 HydrophobicContact CB-CB 4.46Å; M808-W813 HydrophobicContact CE-CB 4.19Å; M808-W813 HydrophobicContact CE-CG 3.81Å; M808-W813 HydrophobicContact CG-CB 3.68Å; M808-W813 HydrophobicContact CG-CG 4.04Å; M808-W813 PolarHBondContact O-N 3.15Å; M808-W813 VanDerWaalsContact O-N 3.17Å; M808-W813 HydrophobicContact SD-CB 4.14Å; M808-W813 HydrophobicContact SD-CG 3.95Å; M808-C839 HydrophobicContact CB-CB 4.46Å; M808-C839 WeakPolarHBondContact CE-O 3.47Å; M808-C839 HydrophobicContact CG-CB 3.91Å; M808-C839 WeakPolarHBondContact CG-O 3.2Å; M808-N840 HydrophobicContact CE-CB 4.05Å
809	I	87	Confident	87.2	Confident	123.75 Å²	123.75	70.1 Å²	70.1	64%	0.635	35%	0.35	S	S	*	.	H	α-helix	trans	-74.3	-46.3	177.8	-59.4	170.3	0	0	0	110.6	I804 T805 R806 T807 K811 G812	I804-I809 HydrophobicContact CG2-CD1 4.11Å; I804-I809 HydrophobicContact CG2-CG1 3.92Å; T805-I809 PolarHBondContact O-N 3.13Å; R806-I809 WeakPolarHBondContact O-CB 3.39Å; R806-I809 PolarHBondContact O-N 3.17Å; R806-I809 VanDerWaalsContact O-N 3.13Å; T807-I809 VanDerWaalsContact C-N 3.3Å; T807-I809 PolarHBondContact O-N 2.96Å; I809-K811 VanDerWaalsContact C-N 3.33Å; I809-K811 PolarHBondContact O-N 3.22Å; I809-G812 PolarHBondContact O-N 3.33Å
810	E	87.2	Confident	87.5	Confident	116.25 Å²	116.25	70.6 Å²	70.6	54%	0.543	35%	0.351	S	S	.	.	H	α-helix	trans	-71.6	-30.7	-176.5	-72.5	179.4	157.6	0	0	113.8	R806 T807	R806-E810 HydrophobicContact CG-CG 4.22Å; R806-E810 WeakPolarHBondContact CG-OE2 3.32Å; R806-E810 IonicContact CZ-OE1 3.2Å; R806-E810 VanDerWaalsContact CZ-OE1 3.22Å; R806-E810 IonicContact CZ-OE2 2.83Å; R806-E810 IonicContact NE-OE1 3.23Å; R806-E810 PolarHBondContact NE-OE1 3.04Å; R806-E810 IonicContact NE-OE2 3.5Å; R806-E810 PolarHBondContact NE-OE2 2.8Å; R806-E810 IonicContact NH2-OE1 3.41Å; R806-E810 PolarHBondContact NH2-OE1 3.16Å; R806-E810 IonicContact NH2-OE2 2.58Å; R806-E810 WeakPolarHBondContact O-CG 3.36Å; R806-E810 PolarHBondContact O-N 3.33Å; T807-E810 PolarHBondContact O-N 2.85Å
811	K	86.3	Confident	87.9	Confident	111.5 Å²	111.5	62.5 Å²	62.5	49%	0.485	31%	0.313	S	S	.	.	H	α-helix	trans	-97.4	-21.1	179.2	-55	-73.1	179.2	133.1	0	113	T807 I809 I841 D864	T807-K811 HydrophobicContact CG2-CG 4.1Å; T807-K811 VanDerWaalsContact O-CB 3.27Å; T807-K811 WeakPolarHBondContact O-CB 3.44Å; T807-K811 VanDerWaalsContact O-CG 3.28Å; T807-K811 WeakPolarHBondContact O-CG 3.37Å; T807-K811 PolarHBondContact O-N 3.2Å; I809-K811 VanDerWaalsContact C-N 3.33Å; I809-K811 PolarHBondContact O-N 3.22Å; K811-I841 HydrophobicContact CB-CD1 3.84Å; K811-I841 HydrophobicContact CG-CD1 3.7Å; K811-D864 WeakPolarHBondContact CE-OD2 3.29Å; K811-D864 VanDerWaalsContact NZ-CG 3.33Å; K811-D864 IonicContact NZ-OD1 2.65Å; K811-D864 PolarHBondContact NZ-OD1 3.11Å; K811-D864 IonicContact NZ-OD2 3.37Å; K811-D864 PolarHBondContact NZ-OD2 3.2Å
812	G	87.9	Confident	88.1	Confident	27.25 Å²	27.25	66.6 Å²	66.6	28%	0.281	33%	0.332	S	S	.	.			trans	81.8	122	-173.1	0	0	0	0	0	112.5	S788 M808 I809	S788-G812 PolarHBondContact OG-O 2.93Å; M808-G812 CarbonylContact O-C 3.39Å; M808-G812 VanDerWaalsContact O-CA 3.25Å; M808-G812 WeakPolarHBondContact O-CA 3.33Å; M808-G812 PolarHBondContact O-N 3.08Å; M808-G812 VanDerWaalsContact O-N 3.1Å; I809-G812 PolarHBondContact O-N 3.33Å
813	W	90	Very high	88.6	Confident	19.25 Å²	19.25	63.5 Å²	63.5	7%	0.073	32%	0.321	C	S	.	.			trans	-65.6	154.7	178.9	-177.3	71.8	0	0	0	113.2	L785 C787 S788 Y794 A799 V801 M808 C815	L785-W813 HydrophobicContact CB-CD2 4.15Å; L785-W813 HydrophobicContact CB-CE3 4.06Å; L785-W813 HydrophobicContact CB-CZ3 4.21Å; L785-W813 HydrophobicContact CD1-CB 4.24Å; L785-W813 HydrophobicContact CD1-CD2 4.4Å; L785-W813 HydrophobicContact CD1-CE3 4.45Å; L785-W813 HydrophobicContact CD1-CG 4.36Å; L785-W813 HydrophobicContact CD2-CB 4.44Å; L785-W813 HydrophobicContact CD2-CD2 3.46Å; L785-W813 HydrophobicContact CD2-CE3 3.82Å; L785-W813 HydrophobicContact CD2-CG 3.77Å; L785-W813 HydrophobicContact CD2-CH2 4.36Å; L785-W813 HydrophobicContact CD2-CZ2 4.08Å; L785-W813 HydrophobicContact CD2-CZ3 4.24Å; L785-W813 HydrophobicContact CG-CB 4.4Å; L785-W813 HydrophobicContact CG-CD2 3.69Å; L785-W813 HydrophobicContact CG-CE3 3.58Å; L785-W813 HydrophobicContact CG-CG 4.06Å; L785-W813 HydrophobicContact CG-CZ3 4.07Å; L785-W813 WeakPolarHBondContact O-CZ3 3.43Å; C787-W813 HydrophobicContact CB-CE3 4.22Å; C787-W813 HydrophobicContact CB-CZ3 3.95Å; S788-W813 VanDerWaalsContact CB-O 3.26Å; S788-W813 WeakPolarHBondContact CB-O 3.25Å; S788-W813 PolarHBondContact N-O 2.92Å; S788-W813 PolarHBondContact OG-O 3.07Å; Y794-W813 AromaticContact CD2-CH2 3.57Å; Y794-W813 HydrophobicContact CD2-CH2 3.57Å; Y794-W813 AromaticContact CD2-CZ3 3.7Å; Y794-W813 HydrophobicContact CD2-CZ3 3.7Å; Y794-W813 AromaticContact CE2-CH2 3.94Å; Y794-W813 HydrophobicContact CE2-CH2 3.97Å; Y794-W813 HydrophobicContact CE2-CZ3 4.14Å; Y794-W813 AromaticContact CG-CH2 3.92Å; Y794-W813 HydrophobicContact CG-CH2 3.98Å; Y794-W813 HydrophobicContact CG-CZ3 4.38Å; A799-W813 HydrophobicContact CB-CH2 3.9Å; A799-W813 HydrophobicContact CB-CZ2 3.7Å; V801-W813 HydrophobicContact CG2-CZ2 4.42Å; M808-W813 HydrophobicContact CB-CB 4.46Å; M808-W813 HydrophobicContact CE-CB 4.19Å; M808-W813 HydrophobicContact CE-CG 3.81Å; M808-W813 HydrophobicContact CG-CB 3.68Å; M808-W813 HydrophobicContact CG-CG 4.04Å; M808-W813 PolarHBondContact O-N 3.15Å; M808-W813 VanDerWaalsContact O-N 3.17Å; M808-W813 HydrophobicContact SD-CB 4.14Å; M808-W813 HydrophobicContact SD-CG 3.95Å; W813-C815 VanDerWaalsContact CH2-CA 3.46Å; W813-C815 HydrophobicContact CH2-CB 3.56Å; W813-C815 VanDerWaalsContact CH2-CB 3.49Å; W813-C815 HydrophobicContact CZ2-CB 4.18Å; W813-C815 HydrophobicContact CZ3-CB 4Å
814	R	91.1	Very high	89	Confident	54.25 Å²	54.25	59.2 Å²	59.2	21%	0.205	31%	0.31	C	S	.	.			trans	-132.9	137.3	173.7	-52.6	-173	-163.2	-60.3	5.6	108.9	S788 Q789 C818 E822	S788-R814 WeakPolarHBondContact OG-CG 3.17Å; S788-R814 PolarHBondContact OG-NH1 3.15Å; S788-R814 VanDerWaalsContact OG-NH1 3.09Å; Q789-R814 HydrophobicContact CG-CG 4.4Å; R814-C818 HydrophobicContact CB-CB 4.39Å; R814-C818 VanDerWaalsContact CD-O 3.28Å; R814-C818 WeakPolarHBondContact CD-O 3.42Å; R814-E822 IonicContact CZ-OE1 3.24Å; R814-E822 IonicContact NE-OE1 2.99Å; R814-E822 PolarHBondContact NE-OE1 3.01Å; R814-E822 VanDerWaalsContact NE-OE1 3.16Å; R814-E822 IonicContact NH2-OE1 3.35Å; R814-E822 PolarHBondContact NH2-OE1 3.09Å; R814-E822 IonicContact NH2-OE2 3.03Å; R814-E822 PolarHBondContact NH2-OE2 3.02Å
815	C	90.7	Very high	89.2	Confident	1.75 Å²	1.75	58.4 Å²	58.4	1%	0.012	32%	0.319	C	S	.	.			trans	-71.9	164.2	168.9	68.4	0	0	0	0	110.7	C787 C790 Y794 W813 D817 C818 T819	C787-C815 HydrophobicContact CB-CB 4.07Å; C787-C815 PolarHBondContact SG-N 3.2Å; C787-C815 VanDerWaalsContact SG-N 3.36Å; C787-C815 VanDerWaalsContact SG-SG 3.64Å; C790-C815 VanDerWaalsContact SG-SG 3.62Å; Y794-C815 HydrophobicContact CD2-CB 4.41Å; Y794-C815 HydrophobicContact CE2-CB 3.55Å; Y794-C815 WeakPolarHBondContact OH-CB 3.4Å; Y794-C815 PolarHBondContact OH-SG 2.99Å; W813-C815 VanDerWaalsContact CH2-CA 3.46Å; W813-C815 HydrophobicContact CH2-CB 3.56Å; W813-C815 VanDerWaalsContact CH2-CB 3.49Å; W813-C815 HydrophobicContact CZ2-CB 4.18Å; W813-C815 HydrophobicContact CZ3-CB 4Å; C815-D817 VanDerWaalsContact C-N 3.28Å; C815-D817 PolarHBondContact O-N 3.17Å; C815-D817 PolarHBondContact SG-OD2 3.13Å; C815-D817 VanDerWaalsContact SG-OD2 3.34Å; C815-C818 CarbonylContact O-C 3.5Å; C815-C818 WeakPolarHBondContact O-CA 3.38Å; C815-C818 PolarHBondContact O-N 3.28Å; C815-T819 PolarHBondContact O-N 3.19Å; C815-T819 VanDerWaalsContact O-N 3.1Å; C815-T819 PolarHBondContact O-OG1 2.89Å
816	L	86.1	Confident	89.2	Confident	94.75 Å²	94.75	57.8 Å²	57.8	50%	0.496	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-55.9	-42	-174.8	-62.4	177.7	0	0	0	112.5	H752 C818 T819 L835	H752-L816 VanDerWaalsContact CE1-CD1 3.45Å; H752-L816 WeakPolarHBondContact CE1-CD1 3.49Å; H752-L816 WeakPolarHBondContact NE2-CD1 3.4Å; L816-C818 PolarHBondContact O-N 3.23Å; L816-C818 VanDerWaalsContact O-N 3.16Å; L816-T819 WeakPolarHBondContact CA-OG1 3.18Å; L816-T819 VanDerWaalsContact O-CB 3.22Å; L816-T819 WeakPolarHBondContact O-CB 3.35Å; L816-T819 PolarHBondContact O-N 3.09Å; L816-T819 VanDerWaalsContact O-N 3.14Å; L816-T819 PolarHBondContact O-OG1 3.31Å; L816-L835 HydrophobicContact CD2-CD2 4.07Å
817	D	87.3	Confident	89.3	Confident	119 Å²	119	52.8 Å²	52.8	64%	0.636	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-59.5	-19.5	174.9	-49.1	-61.2	0	0	0	114.6	H752 Y794 C815	H752-D817 IonicContact CE1-OD1 3.01Å; H752-D817 PolarHBondContact CE1-OD1 3.12Å; H752-D817 VanDerWaalsContact CE1-OD1 3.24Å; H752-D817 IonicContact CE1-OD2 2.71Å; H752-D817 IonicContact ND1-OD1 2.6Å; Y794-D817 PolarHBondContact OH-OD2 3.45Å; C815-D817 VanDerWaalsContact C-N 3.28Å; C815-D817 PolarHBondContact O-N 3.17Å; C815-D817 PolarHBondContact SG-OD2 3.13Å; C815-D817 VanDerWaalsContact SG-OD2 3.34Å
818	C	91.9	Very high	89.2	Confident	19.25 Å²	19.25	55.3 Å²	55.3	13%	0.13	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-117	9.2	-176.3	-67.3	0	0	0	0	112.6	C787 Q789 C790 R814 C815 L816 V820	C787-C818 VanDerWaalsContact SG-CB 3.58Å; Q789-C818 HydrophobicContact CB-CB 3.9Å; Q789-C818 HydrophobicContact CG-CB 4.25Å; Q789-C818 PolarHBondContact NE2-O 3.25Å; Q789-C818 PolarHBondContact OE1-O 3.08Å; C790-C818 VanDerWaalsContact SG-SG 3.64Å; R814-C818 HydrophobicContact CB-CB 4.39Å; R814-C818 VanDerWaalsContact CD-O 3.28Å; R814-C818 WeakPolarHBondContact CD-O 3.42Å; C815-C818 CarbonylContact O-C 3.5Å; C815-C818 WeakPolarHBondContact O-CA 3.38Å; C815-C818 PolarHBondContact O-N 3.28Å; L816-C818 PolarHBondContact O-N 3.23Å; L816-C818 VanDerWaalsContact O-N 3.16Å; C818-V820 PolarHBondContact O-N 3.2Å
819	T	89.9	Confident	89	Confident	15 Å²	15	59.3 Å²	59.3	9%	0.092	35%	0.35	C	S	.	.			trans	-73.6	125.4	179.9	-67.9	0	0	0	0	109.8	C815 L816 L833 L835 S842	C815-T819 PolarHBondContact O-N 3.19Å; C815-T819 VanDerWaalsContact O-N 3.1Å; C815-T819 PolarHBondContact O-OG1 2.89Å; L816-T819 WeakPolarHBondContact CA-OG1 3.18Å; L816-T819 VanDerWaalsContact O-CB 3.22Å; L816-T819 WeakPolarHBondContact O-CB 3.35Å; L816-T819 PolarHBondContact O-N 3.09Å; L816-T819 VanDerWaalsContact O-N 3.14Å; L816-T819 PolarHBondContact O-OG1 3.31Å; T819-L833 HydrophobicContact CG2-CD2 4.14Å; T819-L835 HydrophobicContact CG2-CD1 4.29Å; T819-L835 HydrophobicContact CG2-CD2 4.31Å; T819-L835 HydrophobicContact CG2-CG 4.49Å; T819-S842 VanDerWaalsContact CG2-CB 3.47Å; T819-S842 VanDerWaalsContact CG2-OG 3.31Å; T819-S842 WeakPolarHBondContact CG2-OG 3.41Å
820	V	91.8	Very high	89	Confident	25.75 Å²	25.75	60 Å²	60	16%	0.156	35%	0.35	C	S	.	.			trans	-130.8	146.3	-179.1	-63.2	0	0	0	0	109.2	C818 E822 T827 S842	C818-V820 PolarHBondContact O-N 3.2Å; V820-E822 PolarHBondContact O-N 2.96Å; V820-E822 VanDerWaalsContact O-N 3.11Å; V820-T827 HydrophobicContact CG1-CG2 3.85Å; V820-S842 VanDerWaalsContact C-OG 3.3Å; V820-S842 PolarHBondContact N-OG 3.49Å; V820-S842 PolarHBondContact O-OG 3.41Å
821	C	93.4	Very high	89	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-64.5	113.7	173.3	170.1	0	0	0	0	110	G823 C824 G825 G826 L833 S842 H844 C847	C821-G823 PolarHBondContact O-N 3.09Å; C821-G823 VanDerWaalsContact O-N 3.09Å; C821-G823 PolarHBondContact SG-N 3.07Å; C821-G823 VanDerWaalsContact SG-N 3.42Å; C821-C824 PolarHBondContact O-N 3.27Å; C821-C824 VanDerWaalsContact O-N 3.14Å; C821-C824 VanDerWaalsContact SG-SG 3.65Å; C821-G825 VanDerWaalsContact O-CA 3.24Å; C821-G825 WeakPolarHBondContact O-CA 3.28Å; C821-G825 PolarHBondContact O-N 2.92Å; C821-G826 WeakPolarHBondContact CB-O 3.34Å; C821-G826 PolarHBondContact N-O 3.19Å; C821-G826 VanDerWaalsContact N-O 3.08Å; C821-L833 HydrophobicContact CB-CD1 3.77Å; C821-S842 CarbonylContact C-O 3.52Å; C821-S842 VanDerWaalsContact CA-O 3.3Å; C821-S842 WeakPolarHBondContact CA-O 3.33Å; C821-S842 PolarHBondContact N-OG 3.22Å; C821-H844 WeakPolarHBondContact CB-CE1 3.31Å; C821-H844 VanDerWaalsContact CB-ND1 3.29Å; C821-H844 WeakPolarHBondContact CB-ND1 3.16Å; C821-H844 PolarHBondContact SG-N 3.14Å; C821-H844 PolarHBondContact SG-ND1 3.25Å; C821-H844 VanDerWaalsContact SG-ND1 3.4Å; C821-C847 VanDerWaalsContact SG-CB 3.6Å; C821-C847 WeakPolarHBondContact SG-CB 3.2Å
822	E	90.8	Very high	89.1	Confident	89 Å²	89	57.1 Å²	57.1	42%	0.416	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.6	180	-67.3	-62.5	143.9	0	0	112.7	R814 V820 C824 I841 S842 F843	R814-E822 IonicContact CZ-OE1 3.24Å; R814-E822 IonicContact NE-OE1 2.99Å; R814-E822 PolarHBondContact NE-OE1 3.01Å; R814-E822 VanDerWaalsContact NE-OE1 3.16Å; R814-E822 IonicContact NH2-OE1 3.35Å; R814-E822 PolarHBondContact NH2-OE1 3.09Å; R814-E822 IonicContact NH2-OE2 3.03Å; R814-E822 PolarHBondContact NH2-OE2 3.02Å; V820-E822 PolarHBondContact O-N 2.96Å; V820-E822 VanDerWaalsContact O-N 3.11Å; E822-C824 PolarHBondContact O-N 3.1Å; E822-I841 HydrophobicContact CB-CG2 4.28Å; E822-I841 HydrophobicContact CG-CG2 3.58Å; E822-S842 PolarHBondContact N-O 3.06Å; E822-F843 HydrophobicContact CB-CE1 4.15Å; E822-F843 HydrophobicContact CB-CZ 4.29Å
823	G	88.6	Confident	89.2	Confident	48 Å²	48	57.2 Å²	57.2	50%	0.495	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-22.8	173.8	0	0	0	0	0	115.4	C821	C821-G823 PolarHBondContact O-N 3.09Å; C821-G823 VanDerWaalsContact O-N 3.09Å; C821-G823 PolarHBondContact SG-N 3.07Å; C821-G823 VanDerWaalsContact SG-N 3.42Å
824	C	92.2	Very high	89.2	Confident	71 Å²	71	57 Å²	57	48%	0.48	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.4	-5	-179.7	73.4	0	0	0	0	116.1	C821 E822 G826 H844	C821-C824 PolarHBondContact O-N 3.27Å; C821-C824 VanDerWaalsContact O-N 3.14Å; C821-C824 VanDerWaalsContact SG-SG 3.65Å; E822-C824 PolarHBondContact O-N 3.1Å; C824-G826 VanDerWaalsContact C-N 3.25Å; C824-G826 PolarHBondContact O-N 3.12Å; C824-H844 PolarHBondContact SG-CE1 3.1Å; C824-H844 VanDerWaalsContact SG-CE1 3.51Å; C824-H844 PolarHBondContact SG-ND1 2.95Å; C824-H844 VanDerWaalsContact SG-ND1 3.37Å
825	G	90.3	Very high	89.2	Confident	55.5 Å²	55.5	57.2 Å²	57.2	57%	0.572	35%	0.351	S	S	*	.	S	Bend	trans	71.7	4.5	-176.9	0	0	0	0	0	115.6	C821	C821-G825 VanDerWaalsContact O-CA 3.24Å; C821-G825 WeakPolarHBondContact O-CA 3.28Å; C821-G825 PolarHBondContact O-N 2.92Å
826	G	87.4	Confident	89.2	Confident	20.5 Å²	20.5	57.2 Å²	57.2	21%	0.211	35%	0.35	C	S	.	.			trans	-99.2	156.7	-175.1	0	0	0	0	0	114.7	C821 C824 H844	C821-G826 WeakPolarHBondContact CB-O 3.34Å; C821-G826 PolarHBondContact N-O 3.19Å; C821-G826 VanDerWaalsContact N-O 3.08Å; C824-G826 VanDerWaalsContact C-N 3.25Å; C824-G826 PolarHBondContact O-N 3.12Å; G826-H844 PolarHBondContact O-CE1 3.47Å
827	T	88.1	Confident	89.3	Confident	77.5 Å²	77.5	56.4 Å²	56.4	48%	0.475	35%	0.347	S	S	.	.			trans	-104.5	0.3	169.6	60	0	0	0	0	113.2	V820 N829 E830	V820-T827 HydrophobicContact CG1-CG2 3.85Å; T827-N829 PolarHBondContact O-N 3.43Å; T827-E830 VanDerWaalsContact O-CG 3.27Å; T827-E830 WeakPolarHBondContact O-CG 3.42Å
828	S	85.5	Confident	89.3	Confident	67 Å²	67	52.8 Å²	52.8	47%	0.469	33%	0.328	S	S	.	.			trans	-66.7	138.3	-179.4	54.9	0	0	0	0	112.1	H844 Y846	S828-H844 PolarHBondContact O-CE1 3.03Å; S828-H844 PolarHBondContact O-NE2 3.23Å; S828-Y846 PolarHBondContact O-OH 2.89Å
829	N	85.5	Confident	89.1	Confident	89.75 Å²	89.75	52 Å²	52	48%	0.48	32%	0.322	S	S	.	.			trans	69.5	51.2	-178.7	-45.4	-43.6	0	0	0	113	T827 S831 L832 L833 Y846	T827-N829 PolarHBondContact O-N 3.43Å; N829-S831 PolarHBondContact O-N 3.1Å; N829-S831 VanDerWaalsContact O-N 3.1Å; N829-L832 HydrophobicContact CB-CB 4.42Å; N829-L832 HydrophobicContact CB-CD1 4.45Å; N829-L832 WeakPolarHBondContact O-CA 3.37Å; N829-L832 PolarHBondContact O-N 3.07Å; N829-L833 PolarHBondContact O-N 3.26Å; N829-Y846 PolarHBondContact ND2-OH 3.11Å
830	E	86.9	Confident	89.1	Confident	137 Å²	137	52.9 Å²	52.9	64%	0.64	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-47	-37.1	176.2	-62.4	166.7	179.5	0	0	112.8	K749 T827 L832 L833	K749-E830 IonicContact NZ-OE1 3.74Å; K749-E830 IonicContact NZ-OE2 2.92Å; K749-E830 PolarHBondContact NZ-OE2 3.41Å; T827-E830 VanDerWaalsContact O-CG 3.27Å; T827-E830 WeakPolarHBondContact O-CG 3.42Å; E830-L832 VanDerWaalsContact C-N 3.27Å; E830-L832 PolarHBondContact O-N 3.25Å; E830-L832 VanDerWaalsContact O-N 3.14Å; E830-L833 VanDerWaalsContact O-CB 3.27Å; E830-L833 WeakPolarHBondContact O-CB 3.37Å; E830-L833 PolarHBondContact O-N 3.17Å
831	S	86.3	Confident	89	Confident	106.75 Å²	106.75	52.7 Å²	52.7	75%	0.747	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-69.2	-7.7	176.8	61.2	0	0	0	0	115.7	N829	N829-S831 PolarHBondContact O-N 3.1Å; N829-S831 VanDerWaalsContact O-N 3.1Å
832	L	89.4	Confident	88.9	Confident	60 Å²	60	52.8 Å²	52.8	31%	0.314	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-115.2	7.9	172.9	-63.1	178.8	0	0	0	111.8	N829 E830 L834 H844 T845 Y846	N829-L832 HydrophobicContact CB-CB 4.42Å; N829-L832 HydrophobicContact CB-CD1 4.45Å; N829-L832 WeakPolarHBondContact O-CA 3.37Å; N829-L832 PolarHBondContact O-N 3.07Å; E830-L832 VanDerWaalsContact C-N 3.27Å; E830-L832 PolarHBondContact O-N 3.25Å; E830-L832 VanDerWaalsContact O-N 3.14Å; L832-L834 PolarHBondContact O-N 3.16Å; L832-H844 CarbonylContact O-C 3.49Å; L832-H844 VanDerWaalsContact O-CA 3.27Å; L832-H844 WeakPolarHBondContact O-CA 3.34Å; L832-T845 PolarHBondContact O-N 3Å; L832-Y846 HydrophobicContact CB-CE1 4.44Å; L832-Y846 HydrophobicContact CD1-CD1 4.32Å; L832-Y846 HydrophobicContact CD1-CE1 4.18Å
833	L	90.5	Very high	89	Confident	29.75 Å²	29.75	50.1 Å²	50.1	16%	0.156	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	105	179.8	-168.7	66.2	0	0	0	109.5	T819 C821 N829 E830 L835 S842 F843 H844	T819-L833 HydrophobicContact CG2-CD2 4.14Å; C821-L833 HydrophobicContact CB-CD1 3.77Å; N829-L833 PolarHBondContact O-N 3.26Å; E830-L833 VanDerWaalsContact O-CB 3.27Å; E830-L833 WeakPolarHBondContact O-CB 3.37Å; E830-L833 PolarHBondContact O-N 3.17Å; L833-L835 HydrophobicContact CG-CD1 4.35Å; L833-S842 WeakPolarHBondContact CD1-OG 3.38Å; L833-F843 CarbonylContact C-O 3.57Å; L833-H844 VanDerWaalsContact CD1-CD2 3.49Å; L833-H844 WeakPolarHBondContact CD1-CD2 3.47Å
834	L	90.1	Very high	89.2	Confident	16 Å²	16	47.8 Å²	47.8	8%	0.084	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	124	178.8	-114.7	121.1	0	0	0	109.7	L832 S842 F843 T845 L848 L852 V855 P856 W860	L832-L834 PolarHBondContact O-N 3.16Å; L834-S842 CarbonylContact O-C 3.57Å; L834-S842 VanDerWaalsContact O-CA 3.29Å; L834-S842 WeakPolarHBondContact O-CA 3.43Å; L834-S842 WeakPolarHBondContact O-CB 3.34Å; L834-F843 WeakPolarHBondContact CA-O 3.46Å; L834-F843 VanDerWaalsContact CB-O 3.3Å; L834-F843 WeakPolarHBondContact CB-O 3.3Å; L834-F843 PolarHBondContact N-O 2.94Å; L834-F843 PolarHBondContact O-N 2.97Å; L834-T845 HydrophobicContact CD1-CG2 3.94Å; L834-T845 HydrophobicContact CD2-CG2 4.38Å; L834-T845 HydrophobicContact CG-CG2 4.01Å; L834-L848 HydrophobicContact CD1-CD1 3.9Å; L834-L848 HydrophobicContact CD2-CD1 4.12Å; L834-L852 HydrophobicContact CD1-CD1 4.03Å; L834-L852 HydrophobicContact CD2-CD1 4.36Å; L834-V855 HydrophobicContact CD1-CG1 4.04Å; L834-V855 HydrophobicContact CD2-CB 4.22Å; L834-V855 HydrophobicContact CD2-CG1 3.77Å; L834-V855 HydrophobicContact CD2-CG2 4.01Å; L834-P856 HydrophobicContact CD1-CG 4.23Å; L834-P856 HydrophobicContact CD2-CG 3.8Å; L834-W860 HydrophobicContact CB-CE3 4.17Å; L834-W860 HydrophobicContact CB-CZ3 4.15Å; L834-W860 HydrophobicContact CD1-CB 4.24Å; L834-W860 HydrophobicContact CD1-CD2 4.45Å; L834-W860 HydrophobicContact CD1-CE3 4.43Å; L834-W860 HydrophobicContact CD1-CG 4.39Å; L834-W860 HydrophobicContact CD2-CB 4.3Å; L834-W860 HydrophobicContact CD2-CD2 3.38Å; L834-W860 HydrophobicContact CD2-CE3 3.71Å; L834-W860 HydrophobicContact CD2-CG 3.63Å; L834-W860 HydrophobicContact CD2-CH2 4.44Å; L834-W860 HydrophobicContact CD2-CZ2 4.26Å; L834-W860 HydrophobicContact CD2-CZ3 4.24Å; L834-W860 HydrophobicContact CG-CB 4.47Å; L834-W860 HydrophobicContact CG-CD2 3.82Å; L834-W860 HydrophobicContact CG-CE3 3.62Å; L834-W860 HydrophobicContact CG-CG 4.18Å; L834-W860 HydrophobicContact CG-CZ3 4.15Å
835	L	91.1	Very high	89.2	Confident	58.75 Å²	58.75	44.6 Å²	44.6	31%	0.308	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	144	170.1	-73.6	76.8	0	0	0	109.5	L816 T819 L833 N840	L816-L835 HydrophobicContact CD2-CD2 4.07Å; T819-L835 HydrophobicContact CG2-CD1 4.29Å; T819-L835 HydrophobicContact CG2-CD2 4.31Å; T819-L835 HydrophobicContact CG2-CG 4.49Å; L833-L835 HydrophobicContact CG-CD1 4.35Å; L835-N840 HydrophobicContact CD2-CB 4.41Å
836	C	90.4	Very high	89.3	Confident	0.5 Å²	0.5	46.6 Å²	46.6	0%	0.003	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-84.1	123.8	173.8	168.2	0	0	0	0	111.8	D838 C839 N840 I841 W860 C862	C836-D838 PolarHBondContact O-N 3.12Å; C836-C839 PolarHBondContact O-N 3.3Å; C836-C839 VanDerWaalsContact O-N 3.11Å; C836-C839 PolarHBondContact SG-SG 2.75Å; C836-C839 VanDerWaalsContact SG-SG 3.62Å; C836-N840 WeakPolarHBondContact O-CA 3.33Å; C836-N840 PolarHBondContact O-N 3.31Å; C836-N840 PolarHBondContact O-OD1 3.24Å; C836-I841 PolarHBondContact N-O 3.31Å; C836-W860 WeakPolarHBondContact CA-O 3.38Å; C836-W860 HydrophobicContact CB-CE3 4.09Å; C836-W860 HydrophobicContact CB-CZ3 3.76Å; C836-C862 HydrophobicContact CB-CB 3.91Å; C836-C862 PolarHBondContact SG-N 3.16Å; C836-C862 VanDerWaalsContact SG-N 3.37Å; C836-C862 VanDerWaalsContact SG-SG 3.66Å
837	D	87.3	Confident	89.5	Confident	78.25 Å²	78.25	47.3 Å²	47.3	42%	0.418	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-30.2	-176.7	-51.5	-21.9	0	0	0	114.7	G859 W860	D837-G859 VanDerWaalsContact OD2-C 3.26Å; D837-G859 WeakPolarHBondContact OD2-CA 3.43Å; D837-W860 VanDerWaalsContact CG-O 3.26Å; D837-W860 PolarHBondContact N-O 3.15Å; D837-W860 PolarHBondContact OD1-N 3.09Å; D837-W860 PolarHBondContact OD2-N 3.18Å
838	D	86.9	Confident	89.6	Confident	44.25 Å²	44.25	44.9 Å²	44.9	24%	0.237	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-21.9	-176.4	-73.4	-25.2	0	0	0	113.9	T805 C836 K861 C865	T805-D838 VanDerWaalsContact CB-O 3.29Å; T805-D838 WeakPolarHBondContact CB-O 3.39Å; T805-D838 HydrophobicContact CG2-CB 4.34Å; T805-D838 WeakPolarHBondContact CG2-O 3.35Å; T805-D838 PolarHBondContact OG1-O 3.07Å; C836-D838 PolarHBondContact O-N 3.12Å; D838-K861 VanDerWaalsContact OD1-CE 3.28Å; D838-K861 WeakPolarHBondContact OD1-CE 3.48Å; D838-K861 IonicContact OD1-NZ 3.45Å; D838-K861 PolarHBondContact OD1-NZ 2.92Å; D838-K861 VanDerWaalsContact OD2-CD 3.29Å; D838-K861 WeakPolarHBondContact OD2-CD 3.31Å; D838-K861 VanDerWaalsContact OD2-CE 3.24Å; D838-K861 WeakPolarHBondContact OD2-CE 3.35Å; D838-K861 VanDerWaalsContact OD2-CG 3.31Å; D838-K861 WeakPolarHBondContact OD2-CG 3.35Å; D838-K861 IonicContact OD2-NZ 2.83Å; D838-K861 PolarHBondContact OD2-NZ 3.04Å; D838-C865 HydrophobicContact CB-CB 3.82Å
839	C	89.5	Confident	89.4	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.014	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.7	-2.6	-168.6	68.8	0	0	0	0	115.8	T805 T807 M808 C836 I841 C862 C865	T805-C839 WeakPolarHBondContact OG1-CB 3.4Å; T807-C839 HydrophobicContact CG2-CB 4.29Å; M808-C839 HydrophobicContact CB-CB 4.46Å; M808-C839 WeakPolarHBondContact CE-O 3.47Å; M808-C839 HydrophobicContact CG-CB 3.91Å; M808-C839 WeakPolarHBondContact CG-O 3.2Å; C836-C839 PolarHBondContact O-N 3.3Å; C836-C839 VanDerWaalsContact O-N 3.11Å; C836-C839 PolarHBondContact SG-SG 2.75Å; C836-C839 VanDerWaalsContact SG-SG 3.62Å; C839-I841 HydrophobicContact CB-CD1 4.42Å; C839-I841 HydrophobicContact CB-CG1 4.3Å; C839-I841 PolarHBondContact O-N 2.88Å; C839-I841 VanDerWaalsContact O-N 3.08Å; C839-C862 VanDerWaalsContact SG-SG 3.67Å; C839-C865 PolarHBondContact SG-SG 3.04Å
840	N	89	Confident	89.3	Confident	34.25 Å²	34.25	49 Å²	49	18%	0.183	26%	0.264	C	S	.	.			trans	53.5	14.5	-177.4	-61.5	1.5	0	0	0	114.9	M808 L835 C836 S842	M808-N840 HydrophobicContact CE-CB 4.05Å; L835-N840 HydrophobicContact CD2-CB 4.41Å; C836-N840 WeakPolarHBondContact O-CA 3.33Å; C836-N840 PolarHBondContact O-N 3.31Å; C836-N840 PolarHBondContact O-OD1 3.24Å; N840-S842 PolarHBondContact O-N 2.9Å
841	I	89.5	Confident	89.4	Confident	21 Å²	21	46.3 Å²	46.3	11%	0.108	26%	0.258	C	S	.	.			trans	-69.4	131.5	168.7	-60.9	177.3	0	0	0	108	T807 K811 E822 C836 C839 F843	T807-I841 HydrophobicContact CG2-CD1 3.75Å; K811-I841 HydrophobicContact CB-CD1 3.84Å; K811-I841 HydrophobicContact CG-CD1 3.7Å; E822-I841 HydrophobicContact CB-CG2 4.28Å; E822-I841 HydrophobicContact CG-CG2 3.58Å; C836-I841 PolarHBondContact N-O 3.31Å; C839-I841 HydrophobicContact CB-CD1 4.42Å; C839-I841 HydrophobicContact CB-CG1 4.3Å; C839-I841 PolarHBondContact O-N 2.88Å; C839-I841 VanDerWaalsContact O-N 3.08Å; I841-F843 HydrophobicContact CB-CE2 4.42Å; I841-F843 HydrophobicContact CG2-CD2 4.36Å; I841-F843 HydrophobicContact CG2-CE2 3.59Å; I841-F843 HydrophobicContact CG2-CZ 4.03Å
842	S	91	Very high	89.4	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.014	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	147	-173	70.4	0	0	0	0	113.7	T819 V820 C821 E822 L833 L834 N840	T819-S842 VanDerWaalsContact CG2-CB 3.47Å; T819-S842 VanDerWaalsContact CG2-OG 3.31Å; T819-S842 WeakPolarHBondContact CG2-OG 3.41Å; V820-S842 VanDerWaalsContact C-OG 3.3Å; V820-S842 PolarHBondContact N-OG 3.49Å; V820-S842 PolarHBondContact O-OG 3.41Å; C821-S842 CarbonylContact C-O 3.52Å; C821-S842 VanDerWaalsContact CA-O 3.3Å; C821-S842 WeakPolarHBondContact CA-O 3.33Å; C821-S842 PolarHBondContact N-OG 3.22Å; E822-S842 PolarHBondContact N-O 3.06Å; L833-S842 WeakPolarHBondContact CD1-OG 3.38Å; L834-S842 CarbonylContact O-C 3.57Å; L834-S842 VanDerWaalsContact O-CA 3.29Å; L834-S842 WeakPolarHBondContact O-CA 3.43Å; L834-S842 WeakPolarHBondContact O-CB 3.34Å; N840-S842 PolarHBondContact O-N 2.9Å
843	F	93.1	Very high	89.1	Confident	31.75 Å²	31.75	49.2 Å²	49.2	14%	0.139	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	139.4	176.3	-64.3	-94.4	0	0	0	109.1	E822 L833 L834 I841 L848 W860 C862	E822-F843 HydrophobicContact CB-CE1 4.15Å; E822-F843 HydrophobicContact CB-CZ 4.29Å; L833-F843 CarbonylContact C-O 3.57Å; L834-F843 WeakPolarHBondContact CA-O 3.46Å; L834-F843 VanDerWaalsContact CB-O 3.3Å; L834-F843 WeakPolarHBondContact CB-O 3.3Å; L834-F843 PolarHBondContact N-O 2.94Å; L834-F843 PolarHBondContact O-N 2.97Å; I841-F843 HydrophobicContact CB-CE2 4.42Å; I841-F843 HydrophobicContact CG2-CD2 4.36Å; I841-F843 HydrophobicContact CG2-CE2 3.59Å; I841-F843 HydrophobicContact CG2-CZ 4.03Å; F843-L848 HydrophobicContact CB-CD2 3.55Å; F843-L848 HydrophobicContact CB-CG 4.1Å; F843-L848 HydrophobicContact CD1-CD2 4.12Å; F843-L848 HydrophobicContact CD2-CD2 4.28Å; F843-L848 HydrophobicContact CG-CD2 3.74Å; F843-W860 HydrophobicContact CB-CH2 4.4Å; F843-W860 AromaticContact CD2-CH2 3.75Å; F843-W860 HydrophobicContact CD2-CH2 3.75Å; F843-W860 HydrophobicContact CD2-CZ3 4.27Å; F843-W860 HydrophobicContact CE2-CH2 4.4Å; F843-W860 HydrophobicContact CG-CH2 4.4Å; F843-C862 HydrophobicContact CD2-CB 4.36Å; F843-C862 HydrophobicContact CE2-CB 3.78Å
844	H	93.3	Very high	88.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	146.6	164.9	-58.4	119.3	0	0	0	109.9	C821 C824 G826 S828 L832 L833 Y846 C847 L848	C821-H844 WeakPolarHBondContact CB-CE1 3.31Å; C821-H844 VanDerWaalsContact CB-ND1 3.29Å; C821-H844 WeakPolarHBondContact CB-ND1 3.16Å; C821-H844 PolarHBondContact SG-N 3.14Å; C821-H844 PolarHBondContact SG-ND1 3.25Å; C821-H844 VanDerWaalsContact SG-ND1 3.4Å; C824-H844 PolarHBondContact SG-CE1 3.1Å; C824-H844 VanDerWaalsContact SG-CE1 3.51Å; C824-H844 PolarHBondContact SG-ND1 2.95Å; C824-H844 VanDerWaalsContact SG-ND1 3.37Å; G826-H844 PolarHBondContact O-CE1 3.47Å; S828-H844 PolarHBondContact O-CE1 3.03Å; S828-H844 PolarHBondContact O-NE2 3.23Å; L832-H844 CarbonylContact O-C 3.49Å; L832-H844 VanDerWaalsContact O-CA 3.27Å; L832-H844 WeakPolarHBondContact O-CA 3.34Å; L833-H844 VanDerWaalsContact CD1-CD2 3.49Å; L833-H844 WeakPolarHBondContact CD1-CD2 3.47Å; H844-Y846 HydrophobicContact CB-CD1 3.85Å; H844-Y846 HydrophobicContact CB-CD2 4.15Å; H844-Y846 HydrophobicContact CB-CE1 3.52Å; H844-Y846 VanDerWaalsContact CB-CE1 3.43Å; H844-Y846 HydrophobicContact CB-CE2 3.84Å; H844-Y846 HydrophobicContact CB-CG 4.16Å; H844-Y846 VanDerWaalsContact CB-CZ 3.47Å; H844-Y846 PolarHBondContact CE1-OH 3.04Å; H844-Y846 AromaticContact CG-CE1 3.79Å; H844-Y846 AromaticContact CG-CE2 3.8Å; H844-Y846 AromaticContact CG-CZ 3.49Å; H844-Y846 VanDerWaalsContact CG-CZ 3.46Å; H844-Y846 VanDerWaalsContact CG-OH 3.29Å; H844-Y846 AromaticContact ND1-CE2 3.8Å; H844-Y846 AromaticContact ND1-CZ 3.65Å; H844-Y846 PolarHBondContact ND1-OH 2.95Å; H844-Y846 VanDerWaalsContact ND1-OH 3.12Å; H844-Y846 PolarHBondContact O-N 2.92Å; H844-Y846 VanDerWaalsContact O-N 3.09Å; H844-C847 HydrophobicContact CB-CB 4.01Å; H844-C847 CarbonylContact O-C 3.56Å; H844-C847 WeakPolarHBondContact O-CA 3.38Å; H844-C847 WeakPolarHBondContact O-CB 3.5Å; H844-C847 PolarHBondContact O-N 2.86Å; H844-L848 PolarHBondContact O-N 3.12Å
845	T	92	Very high	88.6	Confident	3.75 Å²	3.75	56.4 Å²	56.4	2%	0.023	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-47.4	-42.1	173.3	54	0	0	0	0	112.4	L832 L834 C847 L848 L852 E854 V855	L832-T845 PolarHBondContact O-N 3Å; L834-T845 HydrophobicContact CD1-CG2 3.94Å; L834-T845 HydrophobicContact CD2-CG2 4.38Å; L834-T845 HydrophobicContact CG-CG2 4.01Å; T845-C847 VanDerWaalsContact C-N 3.33Å; T845-C847 PolarHBondContact O-N 2.89Å; T845-L848 PolarHBondContact O-N 3.22Å; T845-L852 CarbonylContact C-O 3.39Å; T845-L852 VanDerWaalsContact CB-O 3.28Å; T845-L852 WeakPolarHBondContact CB-O 3.33Å; T845-L852 HydrophobicContact CG2-CB 4.5Å; T845-L852 PolarHBondContact O-N 3.13Å; T845-L852 PolarHBondContact OG1-O 2.94Å; T845-E854 WeakPolarHBondContact CG2-O 3.44Å; T845-V855 HydrophobicContact CG2-CG2 4.12Å
846	Y	91.9	Very high	88.2	Confident	97.25 Å²	97.25	55.5 Å²	55.5	38%	0.381	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-83.2	-3.8	178.3	61	-96.7	0	0	0	115.5	S828 N829 L832 H844	S828-Y846 PolarHBondContact O-OH 2.89Å; N829-Y846 PolarHBondContact ND2-OH 3.11Å; L832-Y846 HydrophobicContact CB-CE1 4.44Å; L832-Y846 HydrophobicContact CD1-CD1 4.32Å; L832-Y846 HydrophobicContact CD1-CE1 4.18Å; H844-Y846 HydrophobicContact CB-CD1 3.85Å; H844-Y846 HydrophobicContact CB-CD2 4.15Å; H844-Y846 HydrophobicContact CB-CE1 3.52Å; H844-Y846 VanDerWaalsContact CB-CE1 3.43Å; H844-Y846 HydrophobicContact CB-CE2 3.84Å; H844-Y846 HydrophobicContact CB-CG 4.16Å; H844-Y846 VanDerWaalsContact CB-CZ 3.47Å; H844-Y846 PolarHBondContact CE1-OH 3.04Å; H844-Y846 AromaticContact CG-CE1 3.79Å; H844-Y846 AromaticContact CG-CE2 3.8Å; H844-Y846 AromaticContact CG-CZ 3.49Å; H844-Y846 VanDerWaalsContact CG-CZ 3.46Å; H844-Y846 VanDerWaalsContact CG-OH 3.29Å; H844-Y846 AromaticContact ND1-CE2 3.8Å; H844-Y846 AromaticContact ND1-CZ 3.65Å; H844-Y846 PolarHBondContact ND1-OH 2.95Å; H844-Y846 VanDerWaalsContact ND1-OH 3.12Å; H844-Y846 PolarHBondContact O-N 2.92Å; H844-Y846 VanDerWaalsContact O-N 3.09Å
847	C	92.2	Very high	87.5	Confident	35 Å²	35	63.5 Å²	63.5	24%	0.236	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-101.3	1	173.8	-71.1	0	0	0	0	113	C821 H844 T845	C821-C847 VanDerWaalsContact SG-CB 3.6Å; C821-C847 WeakPolarHBondContact SG-CB 3.2Å; H844-C847 HydrophobicContact CB-CB 4.01Å; H844-C847 CarbonylContact O-C 3.56Å; H844-C847 WeakPolarHBondContact O-CA 3.38Å; H844-C847 WeakPolarHBondContact O-CB 3.5Å; H844-C847 PolarHBondContact O-N 2.86Å; T845-C847 VanDerWaalsContact C-N 3.33Å; T845-C847 PolarHBondContact O-N 2.89Å
848	L	89.2	Confident	87.1	Confident	28.5 Å²	28.5	62.3 Å²	62.3	15%	0.149	33%	0.333	C	S	.	.	S	Bend	trans	-79.9	159.5	169.4	-65.1	173.6	0	0	0	110.9	L834 F843 H844 T845 P850 P851 L852 W860	L834-L848 HydrophobicContact CD1-CD1 3.9Å; L834-L848 HydrophobicContact CD2-CD1 4.12Å; F843-L848 HydrophobicContact CB-CD2 3.55Å; F843-L848 HydrophobicContact CB-CG 4.1Å; F843-L848 HydrophobicContact CD1-CD2 4.12Å; F843-L848 HydrophobicContact CD2-CD2 4.28Å; F843-L848 HydrophobicContact CG-CD2 3.74Å; H844-L848 PolarHBondContact O-N 3.12Å; T845-L848 PolarHBondContact O-N 3.22Å; L848-P850 CarbonylContact C-O 3.58Å; L848-P850 CarbonylContact O-C 3.38Å; L848-P850 VanDerWaalsContact O-C 3.29Å; L848-P851 VanDerWaalsContact O-CA 3.26Å; L848-P851 WeakPolarHBondContact O-CA 3.39Å; L848-P851 WeakPolarHBondContact O-CD 3.36Å; L848-P851 WeakPolarHBondContact O-CG 3.27Å; L848-P851 VanDerWaalsContact O-N 3.1Å; L848-L852 HydrophobicContact CD1-CD1 3.64Å; L848-L852 HydrophobicContact CD1-CG 3.89Å; L848-W860 HydrophobicContact CD1-CH2 4.4Å; L848-W860 HydrophobicContact CD1-CZ2 3.84Å; L848-W860 HydrophobicContact CD2-CH2 3.79Å; L848-W860 HydrophobicContact CD2-CZ2 3.57Å; L848-W860 HydrophobicContact CG-CZ2 4.38Å
849	D	81.4	Confident	86.8	Confident	155 Å²	155	62.3 Å²	62.3	83%	0.829	34%	0.344	S	S	*	.	S	Bend	trans	-121.3	114.2	169.7	-169.4	14.9	0	0	0	109.5
850	P	84.7	Confident	86.6	Confident	86.5 Å²	86.5	63.5 Å²	63.5	56%	0.562	35%	0.348	S	S	*	.	S	Bend	cis	-69.8	152.1	-7	31.1	-35.9	0	0	0	112.4	L848 L852	L848-P850 CarbonylContact C-O 3.58Å; L848-P850 CarbonylContact O-C 3.38Å; L848-P850 VanDerWaalsContact O-C 3.29Å; P850-L852 PolarHBondContact O-N 3.01Å
851	P	88.2	Confident	86.6	Confident	80.5 Å²	80.5	64.7 Å²	64.7	52%	0.523	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-66.7	130.7	179.5	13.5	-18.5	0	0	0	112.3	L848	L848-P851 VanDerWaalsContact O-CA 3.26Å; L848-P851 WeakPolarHBondContact O-CA 3.39Å; L848-P851 WeakPolarHBondContact O-CD 3.36Å; L848-P851 WeakPolarHBondContact O-CG 3.27Å; L848-P851 VanDerWaalsContact O-N 3.1Å
852	L	86.9	Confident	86.6	Confident	51 Å²	51	63.8 Å²	63.8	27%	0.267	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-83.9	141.6	175.5	-58.3	-176.8	0	0	0	110.7	L834 T845 L848 P850 E854 P856	L834-L852 HydrophobicContact CD1-CD1 4.03Å; L834-L852 HydrophobicContact CD2-CD1 4.36Å; T845-L852 CarbonylContact C-O 3.39Å; T845-L852 VanDerWaalsContact CB-O 3.28Å; T845-L852 WeakPolarHBondContact CB-O 3.33Å; T845-L852 HydrophobicContact CG2-CB 4.5Å; T845-L852 PolarHBondContact O-N 3.13Å; T845-L852 PolarHBondContact OG1-O 2.94Å; L848-L852 HydrophobicContact CD1-CD1 3.64Å; L848-L852 HydrophobicContact CD1-CG 3.89Å; P850-L852 PolarHBondContact O-N 3.01Å; L852-E854 VanDerWaalsContact C-N 3.27Å; L852-E854 WeakPolarHBondContact CB-O 3.45Å; L852-P856 HydrophobicContact CD1-CG 3.96Å
853	K	82.8	Confident	86.4	Confident	177.75 Å²	177.75	68.8 Å²	68.8	77%	0.773	38%	0.378	S	S	*	.	S	Bend	trans	-84.2	-29.2	176.2	-67.7	-179.1	-179.3	177.1	0	112.7	E625 V1101 D1102	E625-K853 IonicContact OE1-NZ 3.75Å; E625-K853 PolarHBondContact OE1-NZ 3.15Å; K853-V1101 HydrophobicContact CD-CG2 4.49Å; K853-V1101 VanDerWaalsContact CD-O 3.3Å; K853-V1101 WeakPolarHBondContact CD-O 3.17Å; K853-V1101 WeakPolarHBondContact CE-O 3.16Å; K853-V1101 HydrophobicContact CG-CG2 4.14Å; K853-V1101 PolarHBondContact NZ-O 3Å; K853-D1102 IonicContact NZ-OD1 3.83Å; K853-D1102 PolarHBondContact NZ-OD1 3.46Å
854	E	83.4	Confident	86.1	Confident	126.75 Å²	126.75	69.8 Å²	69.8	59%	0.592	38%	0.384	S	S	*	.	S	Bend	trans	-138.3	161.2	-174.6	-49.4	178.8	178.1	0	0	109.8	T845 L852 G1103 E1104	T845-E854 WeakPolarHBondContact CG2-O 3.44Å; L852-E854 VanDerWaalsContact C-N 3.27Å; L852-E854 WeakPolarHBondContact CB-O 3.45Å; E854-G1103 WeakPolarHBondContact OE1-CA 3.07Å; E854-G1103 WeakPolarHBondContact OE2-CA 3.49Å; E854-E1104 VanDerWaalsContact CD-CG 3.44Å; E854-E1104 HydrophobicContact CG-CG 4.48Å; E854-E1104 WeakPolarHBondContact OE1-CG 3.29Å; E854-E1104 PolarHBondContact OE1-N 3.46Å; E854-E1104 WeakPolarHBondContact OE2-CB 3.27Å; E854-E1104 VanDerWaalsContact OE2-CG 3.29Å; E854-E1104 WeakPolarHBondContact OE2-CG 3.18Å; E854-E1104 PolarHBondContact OE2-N 3.4Å
855	V	85.6	Confident	85.9	Confident	69.25 Å²	69.25	70.3 Å²	70.3	42%	0.42	39%	0.388	S	S	.	.			trans	-70	125.6	174.8	169.5	0	0	0	0	109.2	L834 T845	L834-V855 HydrophobicContact CD1-CG1 4.04Å; L834-V855 HydrophobicContact CD2-CB 4.22Å; L834-V855 HydrophobicContact CD2-CG1 3.77Å; L834-V855 HydrophobicContact CD2-CG2 4.01Å; T845-V855 HydrophobicContact CG2-CG2 4.12Å
856	P	82.7	Confident	85.8	Confident	40.75 Å²	40.75	70.5 Å²	70.5	27%	0.265	39%	0.389	S	S	.	.			trans	-59.5	143.8	177.9	-0.5	1.1	0	0	0	112.2	L834 L852 G858 W860	L834-P856 HydrophobicContact CD1-CG 4.23Å; L834-P856 HydrophobicContact CD2-CG 3.8Å; L852-P856 HydrophobicContact CD1-CG 3.96Å; P856-G858 PolarHBondContact O-N 3.42Å; P856-W860 HydrophobicContact CB-CB 4.28Å; P856-W860 HydrophobicContact CG-CB 4.16Å; P856-W860 HydrophobicContact CG-CG 4.2Å
857	K	76.8	Confident	85.7	Confident	167 Å²	167	69.5 Å²	69.5	73%	0.726	39%	0.389	S	S	*	.	S	Bend	trans	-95.1	114.7	179.9	-63.8	-175.2	-178.1	-179.4	0	110.5	L633 E1104	L633-K857 WeakPolarHBondContact O-CD 3.03Å; K857-E1104 WeakPolarHBondContact CE-OE1 3.3Å; K857-E1104 WeakPolarHBondContact CE-OE2 3.33Å; K857-E1104 VanDerWaalsContact NZ-CD 3.34Å; K857-E1104 IonicContact NZ-OE1 3.42Å; K857-E1104 IonicContact NZ-OE2 3.65Å; K857-E1104 PolarHBondContact NZ-OE2 2.95Å
858	G	78.5	Confident	85.8	Confident	54.5 Å²	54.5	67.9 Å²	67.9	56%	0.562	38%	0.379	S	S	*	.	S	Bend	trans	103.8	-174.2	-169.5	0	0	0	0	0	111.2	P856	P856-G858 PolarHBondContact O-N 3.42Å
859	G	80.6	Confident	85.9	Confident	44.25 Å²	44.25	71.2 Å²	71.2	46%	0.456	40%	0.401	S	S	.	.			trans	-63.1	146	-177.9	0	0	0	0	0	113.7	D837	D837-G859 VanDerWaalsContact OD2-C 3.26Å; D837-G859 WeakPolarHBondContact OD2-CA 3.43Å
860	W	86.8	Confident	86.4	Confident	26.75 Å²	26.75	68.7 Å²	68.7	10%	0.101	39%	0.387	C	S	.	.			trans	-131.7	138.5	178.4	179.8	78	0	0	0	112.2	L834 C836 D837 F843 L848 P856 C862 Y886	L834-W860 HydrophobicContact CB-CE3 4.17Å; L834-W860 HydrophobicContact CB-CZ3 4.15Å; L834-W860 HydrophobicContact CD1-CB 4.24Å; L834-W860 HydrophobicContact CD1-CD2 4.45Å; L834-W860 HydrophobicContact CD1-CE3 4.43Å; L834-W860 HydrophobicContact CD1-CG 4.39Å; L834-W860 HydrophobicContact CD2-CB 4.3Å; L834-W860 HydrophobicContact CD2-CD2 3.38Å; L834-W860 HydrophobicContact CD2-CE3 3.71Å; L834-W860 HydrophobicContact CD2-CG 3.63Å; L834-W860 HydrophobicContact CD2-CH2 4.44Å; L834-W860 HydrophobicContact CD2-CZ2 4.26Å; L834-W860 HydrophobicContact CD2-CZ3 4.24Å; L834-W860 HydrophobicContact CG-CB 4.47Å; L834-W860 HydrophobicContact CG-CD2 3.82Å; L834-W860 HydrophobicContact CG-CE3 3.62Å; L834-W860 HydrophobicContact CG-CG 4.18Å; L834-W860 HydrophobicContact CG-CZ3 4.15Å; C836-W860 WeakPolarHBondContact CA-O 3.38Å; C836-W860 HydrophobicContact CB-CE3 4.09Å; C836-W860 HydrophobicContact CB-CZ3 3.76Å; D837-W860 VanDerWaalsContact CG-O 3.26Å; D837-W860 PolarHBondContact N-O 3.15Å; D837-W860 PolarHBondContact OD1-N 3.09Å; D837-W860 PolarHBondContact OD2-N 3.18Å; F843-W860 HydrophobicContact CB-CH2 4.4Å; F843-W860 AromaticContact CD2-CH2 3.75Å; F843-W860 HydrophobicContact CD2-CH2 3.75Å; F843-W860 HydrophobicContact CD2-CZ3 4.27Å; F843-W860 HydrophobicContact CE2-CH2 4.4Å; F843-W860 HydrophobicContact CG-CH2 4.4Å; L848-W860 HydrophobicContact CD1-CH2 4.4Å; L848-W860 HydrophobicContact CD1-CZ2 3.84Å; L848-W860 HydrophobicContact CD2-CH2 3.79Å; L848-W860 HydrophobicContact CD2-CZ2 3.57Å; L848-W860 HydrophobicContact CG-CZ2 4.38Å; P856-W860 HydrophobicContact CB-CB 4.28Å; P856-W860 HydrophobicContact CG-CB 4.16Å; P856-W860 HydrophobicContact CG-CG 4.2Å; W860-C862 HydrophobicContact CH2-CB 3.59Å; W860-C862 HydrophobicContact CZ2-CB 4.22Å; W860-C862 HydrophobicContact CZ3-CB 4.05Å; W860-Y886 AromaticContact CD1-CE2 3.81Å
861	K	88	Confident	86.8	Confident	59.25 Å²	59.25	67.4 Å²	67.4	26%	0.258	38%	0.379	S	S	.	.			trans	-123.6	133.5	-179.4	-63.7	179.8	178.7	-117.3	0	110.3	D838 C865 V866	D838-K861 VanDerWaalsContact OD1-CE 3.28Å; D838-K861 WeakPolarHBondContact OD1-CE 3.48Å; D838-K861 IonicContact OD1-NZ 3.45Å; D838-K861 PolarHBondContact OD1-NZ 2.92Å; D838-K861 VanDerWaalsContact OD2-CD 3.29Å; D838-K861 WeakPolarHBondContact OD2-CD 3.31Å; D838-K861 VanDerWaalsContact OD2-CE 3.24Å; D838-K861 WeakPolarHBondContact OD2-CE 3.35Å; D838-K861 VanDerWaalsContact OD2-CG 3.31Å; D838-K861 WeakPolarHBondContact OD2-CG 3.35Å; D838-K861 IonicContact OD2-NZ 2.83Å; D838-K861 PolarHBondContact OD2-NZ 3.04Å; K861-C865 HydrophobicContact CB-CB 4.46Å; K861-V866 HydrophobicContact CB-CG2 3.69Å; K861-V866 WeakPolarHBondContact O-CG2 3.35Å
862	C	88.9	Confident	86.9	Confident	1.75 Å²	1.75	65.6 Å²	65.6	1%	0.012	38%	0.376	C	S	.	.			trans	-73.1	161.4	173.2	70.8	0	0	0	0	111.3	C836 C839 F843 W860 D864 C865 V866	C836-C862 HydrophobicContact CB-CB 3.91Å; C836-C862 PolarHBondContact SG-N 3.16Å; C836-C862 VanDerWaalsContact SG-N 3.37Å; C836-C862 VanDerWaalsContact SG-SG 3.66Å; C839-C862 VanDerWaalsContact SG-SG 3.67Å; F843-C862 HydrophobicContact CD2-CB 4.36Å; F843-C862 HydrophobicContact CE2-CB 3.78Å; W860-C862 HydrophobicContact CH2-CB 3.59Å; W860-C862 HydrophobicContact CZ2-CB 4.22Å; W860-C862 HydrophobicContact CZ3-CB 4.05Å; C862-D864 PolarHBondContact O-N 3Å; C862-D864 VanDerWaalsContact O-N 3.11Å; C862-C865 CarbonylContact O-C 3.41Å; C862-C865 WeakPolarHBondContact O-CA 3.3Å; C862-C865 PolarHBondContact O-N 2.93Å; C862-V866 WeakPolarHBondContact O-CG2 3.39Å; C862-V866 PolarHBondContact O-N 3.08Å
863	T	86.5	Confident	87.1	Confident	108 Å²	108	68.5 Å²	68.5	66%	0.663	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-32.4	-178.7	49.2	0	0	0	0	114.3	C865 K874	T863-C865 VanDerWaalsContact C-N 3.32Å; T863-C865 PolarHBondContact O-N 3.11Å; T863-K874 PolarHBondContact O-NZ 3.23Å
864	D	87.6	Confident	87.4	Confident	51.75 Å²	51.75	65.3 Å²	65.3	28%	0.277	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-25.5	179.8	-68.4	-17.1	0	0	0	112.5	T807 K811 C862 K874	T807-D864 HydrophobicContact CG2-CB 3.63Å; K811-D864 WeakPolarHBondContact CE-OD2 3.29Å; K811-D864 VanDerWaalsContact NZ-CG 3.33Å; K811-D864 IonicContact NZ-OD1 2.65Å; K811-D864 PolarHBondContact NZ-OD1 3.11Å; K811-D864 IonicContact NZ-OD2 3.37Å; K811-D864 PolarHBondContact NZ-OD2 3.2Å; C862-D864 PolarHBondContact O-N 3Å; C862-D864 VanDerWaalsContact O-N 3.11Å; D864-K874 VanDerWaalsContact C-NZ 3.27Å; D864-K874 PolarHBondContact O-NZ 3.1Å
865	C	89.8	Confident	87.7	Confident	11.25 Å²	11.25	64 Å²	64	8%	0.076	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-19.3	-177.8	-66.6	0	0	0	0	114.3	T807 D838 C839 K861 C862 T863 I867	T807-C865 VanDerWaalsContact CB-SG 3.57Å; T807-C865 PolarHBondContact OG1-SG 3.06Å; D838-C865 HydrophobicContact CB-CB 3.82Å; C839-C865 PolarHBondContact SG-SG 3.04Å; K861-C865 HydrophobicContact CB-CB 4.46Å; C862-C865 CarbonylContact O-C 3.41Å; C862-C865 WeakPolarHBondContact O-CA 3.3Å; C862-C865 PolarHBondContact O-N 2.93Å; T863-C865 VanDerWaalsContact C-N 3.32Å; T863-C865 PolarHBondContact O-N 3.11Å; C865-I867 PolarHBondContact O-N 3.28Å
866	V	89.5	Confident	87.9	Confident	7.5 Å²	7.5	61.7 Å²	61.7	5%	0.045	36%	0.358	C	S	.	.			trans	-59.2	126.8	172.9	169.9	0	0	0	0	109.8	K861 C862 K874 W882 Y886	K861-V866 HydrophobicContact CB-CG2 3.69Å; K861-V866 WeakPolarHBondContact O-CG2 3.35Å; C862-V866 WeakPolarHBondContact O-CG2 3.39Å; C862-V866 PolarHBondContact O-N 3.08Å; V866-K874 PolarHBondContact O-NZ 3.44Å; V866-W882 HydrophobicContact CG1-CD2 3.9Å; V866-W882 VanDerWaalsContact CG1-CE2 3.5Å; V866-W882 HydrophobicContact CG1-CE3 4.21Å; V866-W882 HydrophobicContact CG1-CG 4.43Å; V866-W882 HydrophobicContact CG1-CH2 3.71Å; V866-W882 HydrophobicContact CG1-CZ2 3.32Å; V866-W882 VanDerWaalsContact CG1-CZ2 3.42Å; V866-W882 HydrophobicContact CG1-CZ3 4.12Å; V866-Y886 HydrophobicContact CG2-CD1 4.37Å; V866-Y886 HydrophobicContact CG2-CG 4.49Å
867	I	90.4	Very high	88.2	Confident	75.5 Å²	75.5	60.9 Å²	60.9	39%	0.387	36%	0.357	S	S	.	.			trans	-154.6	138.9	-179.3	-170	170.2	0	0	0	109.1	C865 T869 G872 Q873 K874	C865-I867 PolarHBondContact O-N 3.28Å; I867-T869 PolarHBondContact O-N 3.04Å; I867-G872 WeakPolarHBondContact CD1-O 3.42Å; I867-G872 VanDerWaalsContact CG1-O 3.27Å; I867-G872 WeakPolarHBondContact CG1-O 3.35Å; I867-Q873 CarbonylContact C-O 3.54Å; I867-Q873 WeakPolarHBondContact CA-O 3.47Å; I867-K874 HydrophobicContact CG1-CG 4.49Å
868	C	93	Very high	88.7	Confident	1.75 Å²	1.75	57.6 Å²	57.6	1%	0.012	35%	0.346	C	S	.	.			trans	-71.2	118.3	174.7	-179.3	0	0	0	0	110.7	N870 C871 G872 Q873 W882 S887 C889	C868-N870 PolarHBondContact O-N 3.09Å; C868-N870 VanDerWaalsContact O-N 3.16Å; C868-N870 PolarHBondContact SG-N 2.6Å; C868-N870 VanDerWaalsContact SG-N 3.44Å; C868-C871 VanDerWaalsContact CB-SG 3.59Å; C868-C871 PolarHBondContact O-N 3.08Å; C868-C871 PolarHBondContact SG-SG 3.41Å; C868-G872 VanDerWaalsContact O-CA 3.28Å; C868-G872 WeakPolarHBondContact O-CA 3.29Å; C868-G872 PolarHBondContact O-N 3.05Å; C868-Q873 WeakPolarHBondContact CB-O 3.5Å; C868-Q873 PolarHBondContact N-O 3Å; C868-W882 HydrophobicContact CB-CH2 4.31Å; C868-W882 HydrophobicContact CB-CZ3 4.1Å; C868-S887 CarbonylContact C-O 3.5Å; C868-S887 VanDerWaalsContact CA-O 3.3Å; C868-S887 WeakPolarHBondContact CA-O 3.29Å; C868-C889 HydrophobicContact CB-CB 3.92Å; C868-C889 PolarHBondContact SG-N 3.29Å; C868-C889 VanDerWaalsContact SG-N 3.38Å; C868-C889 PolarHBondContact SG-SG 2.69Å; C868-C889 VanDerWaalsContact SG-SG 3.67Å
869	T	91.2	Very high	89	Confident	99 Å²	99	58.4 Å²	58.4	61%	0.607	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-22.8	179	52.2	0	0	0	0	113.9	I867 S887	I867-T869 PolarHBondContact O-N 3.04Å; T869-S887 PolarHBondContact N-O 3.12Å; T869-S887 PolarHBondContact OG1-O 3.2Å; T869-S887 VanDerWaalsContact OG1-O 3.1Å
870	N	91.8	Very high	89.2	Confident	101.25 Å²	101.25	57.2 Å²	57.2	54%	0.541	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-24.5	-179.1	-60.4	74.9	0	0	0	114.2	C868 C892	C868-N870 PolarHBondContact O-N 3.09Å; C868-N870 VanDerWaalsContact O-N 3.16Å; C868-N870 PolarHBondContact SG-N 2.6Å; C868-N870 VanDerWaalsContact SG-N 3.44Å; N870-C892 HydrophobicContact CB-CB 3.91Å
871	C	93.2	Very high	89.3	Confident	59.25 Å²	59.25	62.7 Å²	62.7	40%	0.4	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.6	-0.1	-173.3	71.1	0	0	0	0	116.2	C868 Q873 C892	C868-C871 VanDerWaalsContact CB-SG 3.59Å; C868-C871 PolarHBondContact O-N 3.08Å; C868-C871 PolarHBondContact SG-SG 3.41Å; C871-Q873 PolarHBondContact O-N 3.39Å; C871-Q873 VanDerWaalsContact O-N 3.13Å; C871-C892 VanDerWaalsContact CB-SG 3.59Å; C871-C892 PolarHBondContact SG-SG 3.04Å
872	G	91	Very high	89.3	Confident	44.25 Å²	44.25	62.3 Å²	62.3	46%	0.456	35%	0.347	S	S	.	.			trans	74	0.1	177.1	0	0	0	0	0	116.2	I867 C868	I867-G872 WeakPolarHBondContact CD1-O 3.42Å; I867-G872 VanDerWaalsContact CG1-O 3.27Å; I867-G872 WeakPolarHBondContact CG1-O 3.35Å; C868-G872 VanDerWaalsContact O-CA 3.28Å; C868-G872 WeakPolarHBondContact O-CA 3.29Å; C868-G872 PolarHBondContact O-N 3.05Å
873	Q	90.2	Very high	89.2	Confident	110 Å²	110	65 Å²	65	51%	0.514	36%	0.359	S	S	.	.			trans	-71.2	138.9	178	-67.4	-113.4	-28.3	0	0	112	I867 C868 C871 D875	I867-Q873 CarbonylContact C-O 3.54Å; I867-Q873 WeakPolarHBondContact CA-O 3.47Å; C868-Q873 WeakPolarHBondContact CB-O 3.5Å; C868-Q873 PolarHBondContact N-O 3Å; C871-Q873 PolarHBondContact O-N 3.39Å; C871-Q873 VanDerWaalsContact O-N 3.13Å; Q873-D875 VanDerWaalsContact C-N 3.28Å
874	K	89.8	Confident	89	Confident	112.25 Å²	112.25	62.6 Å²	62.6	49%	0.488	35%	0.351	S	S	.	.	S	Bend	trans	-87.9	-0.8	174.7	-68.7	-160.6	164.9	-147	0	114.2	T863 D864 V866 I867 W882	T863-K874 PolarHBondContact O-NZ 3.23Å; D864-K874 VanDerWaalsContact C-NZ 3.27Å; D864-K874 PolarHBondContact O-NZ 3.1Å; V866-K874 PolarHBondContact O-NZ 3.44Å; I867-K874 HydrophobicContact CG1-CG 4.49Å; K874-W882 WeakPolarHBondContact O-CZ2 3.32Å
875	D	89.4	Confident	88.7	Confident	99.75 Å²	99.75	65.8 Å²	65.8	53%	0.533	37%	0.368	S	S	.	.	S	Bend	trans	-116.3	149	179.7	-95.1	-77.5	0	0	0	111	Q873 G877 C889	Q873-D875 VanDerWaalsContact C-N 3.28Å; D875-G877 PolarHBondContact O-N 3.1Å; D875-G877 VanDerWaalsContact O-N 3.11Å; D875-G877 WeakPolarHBondContact OD1-CA 3.29Å; D875-G877 PolarHBondContact OD1-N 3.08Å; D875-C889 WeakPolarHBondContact O-CB 3.46Å
876	P	90.4	Very high	88.4	Confident	20 Å²	20	70 Å²	70	13%	0.13	38%	0.383	C	S	.	.			trans	-72.9	-3.6	178.4	29.5	-32.7	0	0	0	113.3	G880 K881 W882 A890 P891 L1097	P876-G880 WeakPolarHBondContact CB-O 2.98Å; P876-G880 VanDerWaalsContact CG-O 3.28Å; P876-G880 WeakPolarHBondContact CG-O 3.37Å; P876-K881 VanDerWaalsContact CB-C 3.49Å; P876-K881 WeakPolarHBondContact CB-O 3.17Å; P876-W882 HydrophobicContact CB-CD2 4.01Å; P876-W882 HydrophobicContact CB-CG 4.04Å; P876-W882 HydrophobicContact CB-CZ2 4.29Å; P876-W882 HydrophobicContact CG-CD2 4.49Å; P876-W882 HydrophobicContact CG-CG 4.29Å; P876-W882 VanDerWaalsContact N-CZ2 3.29Å; P876-A890 WeakPolarHBondContact O-CB 3.29Å; P876-A890 PolarHBondContact O-N 3.17Å; P876-P891 WeakPolarHBondContact O-CD 3.25Å; P876-L1097 HydrophobicContact CB-CD1 4.26Å; P876-L1097 HydrophobicContact CG-CD1 3.35Å; P876-L1097 HydrophobicContact CG-CG 4.29Å
877	G	88.4	Confident	88.3	Confident	24 Å²	24	71.1 Å²	71.1	25%	0.247	39%	0.391	C	S	.	.			trans	92	164.6	-176.8	0	0	0	0	0	113.3	D875 N879 G880	D875-G877 PolarHBondContact O-N 3.1Å; D875-G877 VanDerWaalsContact O-N 3.11Å; D875-G877 WeakPolarHBondContact OD1-CA 3.29Å; D875-G877 PolarHBondContact OD1-N 3.08Å; G877-N879 PolarHBondContact O-N 3.12Å; G877-G880 VanDerWaalsContact O-CA 3.28Å; G877-G880 WeakPolarHBondContact O-CA 3.31Å; G877-G880 PolarHBondContact O-N 3.24Å
878	L	88	Confident	88.3	Confident	97.25 Å²	97.25	68.3 Å²	68.3	51%	0.509	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	129.5	179.2	-176.2	68.3	0	0	0	110.7	G880 L916 C917	L878-G880 PolarHBondContact O-N 2.86Å; L878-G880 VanDerWaalsContact O-N 3.13Å; L878-L916 HydrophobicContact CD2-CB 4.25Å; L878-L916 WeakPolarHBondContact CD2-O 3.4Å; L878-C917 HydrophobicContact CB-CB 4.3Å; L878-C917 VanDerWaalsContact O-CB 3.24Å; L878-C917 WeakPolarHBondContact O-CB 3.37Å
879	N	83.9	Confident	88.4	Confident	72.5 Å²	72.5	68.3 Å²	68.3	39%	0.388	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	32.3	-172.7	-56.5	7.7	0	0	0	112.4	G877 R919 L950	G877-N879 PolarHBondContact O-N 3.12Å; N879-R919 PolarHBondContact O-NH2 3.07Å; N879-L950 HydrophobicContact CB-CD1 3.6Å; N879-L950 VanDerWaalsContact CG-CD1 3.45Å; N879-L950 WeakPolarHBondContact ND2-CD1 3.41Å
880	G	85.5	Confident	88.5	Confident	18.25 Å²	18.25	63.6 Å²	63.6	19%	0.188	35%	0.348	C	S	.	.			trans	-96	150.6	-178.3	0	0	0	0	0	112.7	P876 G877 L878 A890 L1097	P876-G880 WeakPolarHBondContact CB-O 2.98Å; P876-G880 VanDerWaalsContact CG-O 3.28Å; P876-G880 WeakPolarHBondContact CG-O 3.37Å; G877-G880 VanDerWaalsContact O-CA 3.28Å; G877-G880 WeakPolarHBondContact O-CA 3.31Å; G877-G880 PolarHBondContact O-N 3.24Å; L878-G880 PolarHBondContact O-N 2.86Å; L878-G880 VanDerWaalsContact O-N 3.13Å; G880-A890 VanDerWaalsContact CA-CB 3.48Å; G880-L1097 VanDerWaalsContact O-CD1 3.3Å; G880-L1097 WeakPolarHBondContact O-CD1 3.48Å; G880-L1097 WeakPolarHBondContact O-CD2 3.41Å; G880-L1097 VanDerWaalsContact O-CG 3.24Å; G880-L1097 WeakPolarHBondContact O-CG 3.49Å
881	K	88.3	Confident	88.6	Confident	141.75 Å²	141.75	59.6 Å²	59.6	62%	0.616	33%	0.328	S	S	*	.			trans	-118.2	158.2	159.5	-0.3	179.3	179	178.3	0	107.6	P876 H883 A890 L1097 H1098	P876-K881 VanDerWaalsContact CB-C 3.49Å; P876-K881 WeakPolarHBondContact CB-O 3.17Å; K881-H883 PolarHBondContact O-CD2 3.07Å; K881-H883 PolarHBondContact O-N 3.39Å; K881-A890 WeakPolarHBondContact O-CB 3.44Å; K881-L1097 HydrophobicContact CB-CD2 4.32Å; K881-L1097 HydrophobicContact CG-CD2 3.7Å; K881-H1098 VanDerWaalsContact CD-CE1 3.48Å; K881-H1098 WeakPolarHBondContact CD-CE1 3.48Å
882	W	88.2	Confident	88.7	Confident	50.5 Å²	50.5	57.6 Å²	57.6	19%	0.191	32%	0.315	C	S	.	.			trans	-69.5	136.3	172	-78.7	106	0	0	0	111	V866 C868 K874 P876 Y886 V888 C889	V866-W882 HydrophobicContact CG1-CD2 3.9Å; V866-W882 VanDerWaalsContact CG1-CE2 3.5Å; V866-W882 HydrophobicContact CG1-CE3 4.21Å; V866-W882 HydrophobicContact CG1-CG 4.43Å; V866-W882 HydrophobicContact CG1-CH2 3.71Å; V866-W882 HydrophobicContact CG1-CZ2 3.32Å; V866-W882 VanDerWaalsContact CG1-CZ2 3.42Å; V866-W882 HydrophobicContact CG1-CZ3 4.12Å; C868-W882 HydrophobicContact CB-CH2 4.31Å; C868-W882 HydrophobicContact CB-CZ3 4.1Å; K874-W882 WeakPolarHBondContact O-CZ2 3.32Å; P876-W882 HydrophobicContact CB-CD2 4.01Å; P876-W882 HydrophobicContact CB-CG 4.04Å; P876-W882 HydrophobicContact CB-CZ2 4.29Å; P876-W882 HydrophobicContact CG-CD2 4.49Å; P876-W882 HydrophobicContact CG-CG 4.29Å; P876-W882 VanDerWaalsContact N-CZ2 3.29Å; W882-Y886 HydrophobicContact CB-CD1 3.55Å; W882-Y886 VanDerWaalsContact CB-CD1 3.48Å; W882-Y886 HydrophobicContact CB-CE1 3.98Å; W882-Y886 HydrophobicContact CB-CG 4.13Å; W882-Y886 AromaticContact CD1-CD1 3.58Å; W882-Y886 VanDerWaalsContact CD1-CD1 3.41Å; W882-Y886 AromaticContact CD1-CE1 3.7Å; W882-Y886 HydrophobicContact CD2-CD1 4.18Å; W882-Y886 AromaticContact CG-CD1 3.53Å; W882-Y886 HydrophobicContact CG-CD1 3.53Å; W882-Y886 VanDerWaalsContact CG-CD1 3.41Å; W882-Y886 AromaticContact CG-CE1 3.92Å; W882-Y886 HydrophobicContact CG-CE1 4.15Å; W882-Y886 HydrophobicContact CG-CG 4.27Å; W882-V888 VanDerWaalsContact CE3-O 3.32Å; W882-C889 HydrophobicContact CH2-CB 4.23Å; W882-C889 HydrophobicContact CZ3-CB 4.01Å
883	H	86.3	Confident	88.8	Confident	58.25 Å²	58.25	56 Å²	56	27%	0.27	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-111.5	163.5	175	-68.7	-105.1	0	0	0	110.1	N482 K881 N885 Y886 S887 V888 A893	N482-H883 PolarHBondContact ND2-ND1 3.16Å; K881-H883 PolarHBondContact O-CD2 3.07Å; K881-H883 PolarHBondContact O-N 3.39Å; H883-N885 PolarHBondContact O-N 3.19Å; H883-Y886 PolarHBondContact O-N 3.09Å; H883-S887 PolarHBondContact O-N 3.05Å; H883-V888 HydrophobicContact CB-CB 4.4Å; H883-V888 PolarHBondContact N-O 3.04Å; H883-V888 PolarHBondContact O-N 3.2Å; H883-V888 VanDerWaalsContact O-N 3.07Å; H883-A893 HydrophobicContact CB-CB 3.54Å; H883-A893 VanDerWaalsContact CB-CB 3.48Å; H883-A893 VanDerWaalsContact CG-CB 3.49Å
884	A	83.8	Confident	89.1	Confident	59.5 Å²	59.5	50.9 Å²	50.9	49%	0.492	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	57.7	178.1	0	0	0	0	0	113.4	Y886 S887 V888	A884-Y886 PolarHBondContact O-N 3.02Å; A884-S887 WeakPolarHBondContact CB-OG 3.35Å; A884-S887 WeakPolarHBondContact O-CB 3.31Å; A884-S887 PolarHBondContact O-N 3.06Å; A884-S887 PolarHBondContact O-OG 3.05Å; A884-V888 HydrophobicContact CB-CB 4.48Å; A884-V888 HydrophobicContact CB-CG2 4.06Å
885	N	80.1	Confident	89.2	Confident	118.75 Å²	118.75	49.9 Å²	49.9	64%	0.635	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	52.5	178.3	-56.2	-13.9	0	0	0	113.5	H883 S887	H883-N885 PolarHBondContact O-N 3.19Å; N885-S887 VanDerWaalsContact C-N 3.27Å; N885-S887 PolarHBondContact O-N 2.94Å; N885-S887 VanDerWaalsContact O-N 3.13Å
886	Y	84.3	Confident	89.4	Confident	98.5 Å²	98.5	48.5 Å²	48.5	39%	0.386	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	23.5	178.7	-54	-94.5	0	0	0	115.2	W860 V866 W882 H883 A884	W860-Y886 AromaticContact CD1-CE2 3.81Å; V866-Y886 HydrophobicContact CG2-CD1 4.37Å; V866-Y886 HydrophobicContact CG2-CG 4.49Å; W882-Y886 HydrophobicContact CB-CD1 3.55Å; W882-Y886 VanDerWaalsContact CB-CD1 3.48Å; W882-Y886 HydrophobicContact CB-CE1 3.98Å; W882-Y886 HydrophobicContact CB-CG 4.13Å; W882-Y886 AromaticContact CD1-CD1 3.58Å; W882-Y886 VanDerWaalsContact CD1-CD1 3.41Å; W882-Y886 AromaticContact CD1-CE1 3.7Å; W882-Y886 HydrophobicContact CD2-CD1 4.18Å; W882-Y886 AromaticContact CG-CD1 3.53Å; W882-Y886 HydrophobicContact CG-CD1 3.53Å; W882-Y886 VanDerWaalsContact CG-CD1 3.41Å; W882-Y886 AromaticContact CG-CE1 3.92Å; W882-Y886 HydrophobicContact CG-CE1 4.15Å; W882-Y886 HydrophobicContact CG-CG 4.27Å; H883-Y886 PolarHBondContact O-N 3.09Å; A884-Y886 PolarHBondContact O-N 3.02Å
887	S	87	Confident	89.5	Confident	31.5 Å²	31.5	49.2 Å²	49.2	22%	0.22	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-17.2	174.7	68.4	0	0	0	0	114.6	C868 T869 H883 A884 N885	C868-S887 CarbonylContact C-O 3.5Å; C868-S887 VanDerWaalsContact CA-O 3.3Å; C868-S887 WeakPolarHBondContact CA-O 3.29Å; T869-S887 PolarHBondContact N-O 3.12Å; T869-S887 PolarHBondContact OG1-O 3.2Å; T869-S887 VanDerWaalsContact OG1-O 3.1Å; H883-S887 PolarHBondContact O-N 3.05Å; A884-S887 WeakPolarHBondContact CB-OG 3.35Å; A884-S887 WeakPolarHBondContact O-CB 3.31Å; A884-S887 PolarHBondContact O-N 3.06Å; A884-S887 PolarHBondContact O-OG 3.05Å; N885-S887 VanDerWaalsContact C-N 3.27Å; N885-S887 PolarHBondContact O-N 2.94Å; N885-S887 VanDerWaalsContact O-N 3.13Å
888	V	90.8	Very high	89.9	Confident	15 Å²	15	48 Å²	48	9%	0.091	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-133.4	128	-177.1	-170.1	0	0	0	0	111.4	W882 H883 A884 C892 A893	W882-V888 VanDerWaalsContact CE3-O 3.32Å; H883-V888 HydrophobicContact CB-CB 4.4Å; H883-V888 PolarHBondContact N-O 3.04Å; H883-V888 PolarHBondContact O-N 3.2Å; H883-V888 VanDerWaalsContact O-N 3.07Å; A884-V888 HydrophobicContact CB-CB 4.48Å; A884-V888 HydrophobicContact CB-CG2 4.06Å; V888-C892 HydrophobicContact CG1-CB 3.58Å; V888-A893 HydrophobicContact CB-CB 4.49Å; V888-A893 HydrophobicContact CG1-CB 3.94Å; V888-A893 VanDerWaalsContact CG1-N 3.34Å
889	C	94	Very high	90.1	Very high	2.25 Å²	2.25	44.4 Å²	44.4	2%	0.015	24%	0.243	C	C	.	.			trans	-73.9	159.9	174.6	69.4	0	0	0	0	111.2	C868 D875 W882 C892 A893	C868-C889 HydrophobicContact CB-CB 3.92Å; C868-C889 PolarHBondContact SG-N 3.29Å; C868-C889 VanDerWaalsContact SG-N 3.38Å; C868-C889 PolarHBondContact SG-SG 2.69Å; C868-C889 VanDerWaalsContact SG-SG 3.67Å; D875-C889 WeakPolarHBondContact O-CB 3.46Å; W882-C889 HydrophobicContact CH2-CB 4.23Å; W882-C889 HydrophobicContact CZ3-CB 4.01Å; C889-C892 PolarHBondContact O-N 2.8Å; C889-C892 VanDerWaalsContact O-N 3.15Å; C889-C892 VanDerWaalsContact SG-SG 3.67Å; C889-A893 VanDerWaalsContact O-CB 3.28Å; C889-A893 WeakPolarHBondContact O-CB 3.43Å; C889-A893 PolarHBondContact O-N 2.91Å
890	A	93.4	Very high	90.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-30.4	-170.9	0	0	0	0	0	115.5	P876 G880 K881 C892 A893 S894 R919	P876-A890 WeakPolarHBondContact O-CB 3.29Å; P876-A890 PolarHBondContact O-N 3.17Å; G880-A890 VanDerWaalsContact CA-CB 3.48Å; K881-A890 WeakPolarHBondContact O-CB 3.44Å; A890-C892 VanDerWaalsContact C-N 3.34Å; A890-C892 PolarHBondContact O-N 3.09Å; A890-A893 PolarHBondContact O-N 3.37Å; A890-S894 WeakPolarHBondContact O-CB 3.45Å; A890-S894 PolarHBondContact O-N 2.96Å; A890-S894 PolarHBondContact O-OG 3.2Å; A890-R919 VanDerWaalsContact CB-CZ 3.42Å; A890-R919 VanDerWaalsContact CB-NH1 3.3Å; A890-R919 VanDerWaalsContact CB-NH2 3.35Å; A890-R919 PolarHBondContact O-NH1 3.14Å
891	P	94.6	Very high	90.8	Very high	19 Å²	19	44.4 Å²	44.4	12%	0.123	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-49.3	166.9	-24.7	35.2	0	0	0	113	P876 A893 S894 L895 C917 T918	P876-P891 WeakPolarHBondContact O-CD 3.25Å; P891-A893 VanDerWaalsContact C-N 3.3Å; P891-A893 PolarHBondContact O-N 2.92Å; P891-S894 CarbonylContact O-C 3.43Å; P891-S894 WeakPolarHBondContact O-CA 3.37Å; P891-S894 WeakPolarHBondContact O-CB 3.36Å; P891-S894 PolarHBondContact O-N 3.03Å; P891-S894 PolarHBondContact O-OG 3.27Å; P891-L895 PolarHBondContact O-N 3.13Å; P891-C917 WeakPolarHBondContact CG-O 3.41Å; P891-T918 WeakPolarHBondContact CB-OG1 3.22Å; P891-T918 WeakPolarHBondContact CG-OG1 3.27Å
892	C	95.2	Very high	91	Very high	16.5 Å²	16.5	42.8 Å²	42.8	11%	0.111	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-66.4	-34.5	179.7	-70.8	0	0	0	0	112.7	N870 C871 V888 C889 A890 S894 L895 T896	N870-C892 HydrophobicContact CB-CB 3.91Å; C871-C892 VanDerWaalsContact CB-SG 3.59Å; C871-C892 PolarHBondContact SG-SG 3.04Å; V888-C892 HydrophobicContact CG1-CB 3.58Å; C889-C892 PolarHBondContact O-N 2.8Å; C889-C892 VanDerWaalsContact O-N 3.15Å; C889-C892 VanDerWaalsContact SG-SG 3.67Å; A890-C892 VanDerWaalsContact C-N 3.34Å; A890-C892 PolarHBondContact O-N 3.09Å; C892-S894 VanDerWaalsContact C-N 3.31Å; C892-S894 PolarHBondContact O-N 3.22Å; C892-L895 HydrophobicContact CB-CD1 4.34Å; C892-L895 VanDerWaalsContact O-CB 3.3Å; C892-L895 WeakPolarHBondContact O-CB 3.23Å; C892-L895 WeakPolarHBondContact O-CG 3.45Å; C892-L895 PolarHBondContact O-N 2.93Å; C892-T896 WeakPolarHBondContact O-CG2 3.35Å
893	A	94	Very high	91.1	Very high	11.5 Å²	11.5	44.1 Å²	44.1	10%	0.095	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-67.8	-18.6	172.5	0	0	0	0	0	112.7	N482 H883 V888 C889 A890 P891 L895 T896 T897	N482-A893 PolarHBondContact ND2-O 3.03Å; H883-A893 HydrophobicContact CB-CB 3.54Å; H883-A893 VanDerWaalsContact CB-CB 3.48Å; H883-A893 VanDerWaalsContact CG-CB 3.49Å; V888-A893 HydrophobicContact CB-CB 4.49Å; V888-A893 HydrophobicContact CG1-CB 3.94Å; V888-A893 VanDerWaalsContact CG1-N 3.34Å; C889-A893 VanDerWaalsContact O-CB 3.28Å; C889-A893 WeakPolarHBondContact O-CB 3.43Å; C889-A893 PolarHBondContact O-N 2.91Å; A890-A893 PolarHBondContact O-N 3.37Å; P891-A893 VanDerWaalsContact C-N 3.3Å; P891-A893 PolarHBondContact O-N 2.92Å; A893-L895 VanDerWaalsContact C-N 3.34Å; A893-L895 PolarHBondContact O-N 2.78Å; A893-T896 WeakPolarHBondContact O-CG2 3.19Å; A893-T896 PolarHBondContact O-N 2.9Å; A893-T896 PolarHBondContact O-OG1 2.95Å; A893-T896 VanDerWaalsContact O-OG1 3.11Å; A893-T897 PolarHBondContact O-N 3.4Å
894	S	94.8	Very high	91.4	Very high	1.5 Å²	1.5	43.7 Å²	43.7	1%	0.01	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-92.4	3.1	173.4	72.1	0	0	0	0	114.4	A890 P891 C892 T896 T897 Y905 R919 W920	A890-S894 WeakPolarHBondContact O-CB 3.45Å; A890-S894 PolarHBondContact O-N 2.96Å; A890-S894 PolarHBondContact O-OG 3.2Å; P891-S894 CarbonylContact O-C 3.43Å; P891-S894 WeakPolarHBondContact O-CA 3.37Å; P891-S894 WeakPolarHBondContact O-CB 3.36Å; P891-S894 PolarHBondContact O-N 3.03Å; P891-S894 PolarHBondContact O-OG 3.27Å; C892-S894 VanDerWaalsContact C-N 3.31Å; C892-S894 PolarHBondContact O-N 3.22Å; S894-T896 WeakPolarHBondContact CA-OG1 3.29Å; S894-T896 PolarHBondContact O-N 3.09Å; S894-T897 CarbonylContact C-O 3.12Å; S894-T897 WeakPolarHBondContact CA-O 3.32Å; S894-Y905 VanDerWaalsContact O-CE2 3.24Å; S894-Y905 WeakPolarHBondContact O-CE2 3.33Å; S894-Y905 PolarHBondContact O-OH 3.04Å; S894-Y905 VanDerWaalsContact O-OH 3.1Å; S894-R919 WeakPolarHBondContact OG-CA 3.4Å; S894-R919 VanDerWaalsContact OG-CB 3.28Å; S894-R919 WeakPolarHBondContact OG-CB 3.11Å; S894-W920 WeakPolarHBondContact O-CB 3.37Å; S894-W920 PolarHBondContact OG-N 3.06Å; S894-W920 VanDerWaalsContact OG-N 3.1Å
895	L	93.8	Very high	91.9	Very high	91 Å²	91	42.6 Å²	42.6	48%	0.476	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-12.6	170	-65.2	170.5	0	0	0	112.9	R479 P891 C892 A893 Y905	R479-L895 CarbonylContact O-C 3.31Å; R479-L895 VanDerWaalsContact O-O 3.05Å; P891-L895 PolarHBondContact O-N 3.13Å; C892-L895 HydrophobicContact CB-CD1 4.34Å; C892-L895 VanDerWaalsContact O-CB 3.3Å; C892-L895 WeakPolarHBondContact O-CB 3.23Å; C892-L895 WeakPolarHBondContact O-CG 3.45Å; C892-L895 PolarHBondContact O-N 2.93Å; A893-L895 VanDerWaalsContact C-N 3.34Å; A893-L895 PolarHBondContact O-N 2.78Å; L895-Y905 VanDerWaalsContact C-CE2 3.41Å; L895-Y905 WeakPolarHBondContact O-CD2 3.33Å; L895-Y905 WeakPolarHBondContact O-CE2 3.37Å
896	T	92.7	Very high	92.4	Very high	70.25 Å²	70.25	44.9 Å²	44.9	43%	0.431	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-39	-169.7	58.3	0	0	0	0	114	N480 P481 C892 A893 S894 A904 Y905	N480-T896 WeakPolarHBondContact CB-O 3.48Å; N480-T896 VanDerWaalsContact CG-O 3.24Å; N480-T896 PolarHBondContact ND2-O 3.22Å; N480-T896 WeakPolarHBondContact OD1-CB 3.32Å; P481-T896 HydrophobicContact CG-CG2 4.49Å; C892-T896 WeakPolarHBondContact O-CG2 3.35Å; A893-T896 WeakPolarHBondContact O-CG2 3.19Å; A893-T896 PolarHBondContact O-N 2.9Å; A893-T896 PolarHBondContact O-OG1 2.95Å; A893-T896 VanDerWaalsContact O-OG1 3.11Å; S894-T896 WeakPolarHBondContact CA-OG1 3.29Å; S894-T896 PolarHBondContact O-N 3.09Å; T896-A904 VanDerWaalsContact O-CA 3.28Å; T896-A904 WeakPolarHBondContact O-CA 3.33Å; T896-Y905 VanDerWaalsContact C-CD2 3.42Å; T896-Y905 VanDerWaalsContact O-CD2 3.25Å; T896-Y905 WeakPolarHBondContact O-CD2 3.24Å; T896-Y905 PolarHBondContact O-N 3.12Å; T896-Y905 VanDerWaalsContact O-N 3.11Å
897	T	93.5	Very high	92.5	Very high	34.5 Å²	34.5	47 Å²	47	21%	0.212	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-152.1	126.7	-165.4	4.7	0	0	0	0	113.9	N480 N482 S483 A893 S894 P899 L903 A904 Y905	N480-T897 WeakPolarHBondContact ND2-CG2 3.35Å; N480-T897 PolarHBondContact ND2-N 2.87Å; N480-T897 VanDerWaalsContact OD1-CG2 3.29Å; N480-T897 WeakPolarHBondContact OD1-CG2 3.49Å; N482-T897 HydrophobicContact CB-CG2 3.79Å; S483-T897 VanDerWaalsContact CA-CG2 3.42Å; A893-T897 PolarHBondContact O-N 3.4Å; S894-T897 CarbonylContact C-O 3.12Å; S894-T897 WeakPolarHBondContact CA-O 3.32Å; T897-P899 WeakPolarHBondContact O-CD 3.44Å; T897-L903 CarbonylContact C-O 3.47Å; T897-L903 VanDerWaalsContact CA-O 3.27Å; T897-L903 WeakPolarHBondContact CA-O 3.36Å; T897-L903 WeakPolarHBondContact CB-O 3.5Å; T897-L903 WeakPolarHBondContact CG2-O 3.42Å; T897-A904 HydrophobicContact CG2-CB 4.09Å; T897-Y905 VanDerWaalsContact C-CE1 3.45Å; T897-Y905 VanDerWaalsContact O-CZ 3.32Å; T897-Y905 PolarHBondContact O-OH 2.78Å
898	C	94.9	Very high	92.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.			trans	-65.2	122.2	170.1	178.5	0	0	0	0	110.3	I900 C901 N902 L903 Y905 A921 H922 C925	C898-I900 PolarHBondContact O-N 3.13Å; C898-I900 VanDerWaalsContact O-N 3.11Å; C898-I900 VanDerWaalsContact SG-CB 3.55Å; C898-C901 PolarHBondContact O-N 3.18Å; C898-N902 WeakPolarHBondContact O-CA 3.3Å; C898-N902 PolarHBondContact O-N 3.06Å; C898-L903 PolarHBondContact N-O 3.32Å; C898-Y905 WeakPolarHBondContact CA-OH 3.43Å; C898-Y905 HydrophobicContact CB-CD1 4.47Å; C898-Y905 HydrophobicContact CB-CE1 3.76Å; C898-Y905 PolarHBondContact N-OH 2.95Å; C898-A921 HydrophobicContact CB-CB 4.49Å; C898-A921 VanDerWaalsContact SG-CB 3.59Å; C898-H922 VanDerWaalsContact CB-CE1 3.4Å; C898-H922 WeakPolarHBondContact CB-CE1 3.15Å; C898-H922 WeakPolarHBondContact CB-ND1 3.43Å; C898-H922 PolarHBondContact SG-N 3.09Å; C898-H922 VanDerWaalsContact SG-N 3.42Å; C898-C925 VanDerWaalsContact SG-SG 3.68Å
899	P	92.4	Very high	92.5	Very high	21.75 Å²	21.75	57.7 Å²	57.7	14%	0.141	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	0.1	-177	33.4	-37.3	0	0	0	113.5	T897 R919 W920 L946	T897-P899 WeakPolarHBondContact O-CD 3.44Å; P899-R919 HydrophobicContact CG-CB 4.42Å; P899-W920 WeakPolarHBondContact CD-O 3.41Å; P899-W920 VanDerWaalsContact CG-O 3.26Å; P899-W920 WeakPolarHBondContact CG-O 3.43Å; P899-L946 HydrophobicContact CB-CD1 3.88Å; P899-L946 HydrophobicContact CG-CD1 4.1Å
900	I	92.3	Very high	92.5	Very high	46 Å²	46	59.7 Å²	59.7	24%	0.236	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-50.2	178.9	-54	170.5	0	0	0	110.2	C898 A921 C925 L945 L946	C898-I900 PolarHBondContact O-N 3.13Å; C898-I900 VanDerWaalsContact O-N 3.11Å; C898-I900 VanDerWaalsContact SG-CB 3.55Å; I900-A921 HydrophobicContact CD1-CB 3.73Å; I900-A921 HydrophobicContact CG1-CB 4.29Å; I900-C925 HydrophobicContact CB-CB 4.15Å; I900-C925 HydrophobicContact CD1-CB 4.02Å; I900-C925 HydrophobicContact CG2-CB 4.15Å; I900-L945 HydrophobicContact CD1-CB 4.22Å; I900-L945 HydrophobicContact CD1-CD1 4.2Å; I900-L945 HydrophobicContact CD1-CG 4.47Å; I900-L945 HydrophobicContact CG1-CB 4.47Å; I900-L945 HydrophobicContact CG2-CD1 3.98Å; I900-L946 HydrophobicContact CG1-CG 4.4Å
901	C	93.4	Very high	92.6	Very high	44 Å²	44	62 Å²	62	30%	0.297	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-7.3	-180	68.4	0	0	0	0	114.5	C898 L903 H922 C925	C898-C901 PolarHBondContact O-N 3.18Å; C901-L903 HydrophobicContact CB-CD1 4.36Å; C901-L903 HydrophobicContact CB-CG 4.39Å; C901-L903 PolarHBondContact O-N 2.9Å; C901-L903 VanDerWaalsContact O-N 3.08Å; C901-H922 PolarHBondContact SG-CE1 3.06Å; C901-H922 PolarHBondContact SG-ND1 3.14Å; C901-H922 VanDerWaalsContact SG-ND1 3.35Å; C901-C925 PolarHBondContact SG-SG 3.16Å
902	N	91.8	Very high	92.6	Very high	107.5 Å²	107.5	61.2 Å²	61.2	58%	0.575	32%	0.315	S	S	*	.			trans	59.4	14.6	-179	-53.6	-78.2	0	0	0	115.5	T484 C898	T484-N902 PolarHBondContact N-O 3.07Å; T484-N902 WeakPolarHBondContact OG1-CB 3.14Å; T484-N902 PolarHBondContact OG1-O 2.8Å; C898-N902 WeakPolarHBondContact O-CA 3.3Å; C898-N902 PolarHBondContact O-N 3.06Å
903	L	90.9	Very high	92.6	Very high	78.5 Å²	78.5	66.9 Å²	66.9	41%	0.411	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-80.8	145.4	169.5	-64.3	170.9	0	0	0	110.5	F485 T616 T897 C898 C901	F485-L903 HydrophobicContact CB-CD2 3.8Å; F485-L903 HydrophobicContact CB-CG 4Å; F485-L903 HydrophobicContact CD1-CD2 4.12Å; F485-L903 HydrophobicContact CG-CD2 4.44Å; F485-L903 WeakPolarHBondContact O-CD2 3.25Å; T616-L903 HydrophobicContact CG2-CD2 3.8Å; T897-L903 CarbonylContact C-O 3.47Å; T897-L903 VanDerWaalsContact CA-O 3.27Å; T897-L903 WeakPolarHBondContact CA-O 3.36Å; T897-L903 WeakPolarHBondContact CB-O 3.5Å; T897-L903 WeakPolarHBondContact CG2-O 3.42Å; C898-L903 PolarHBondContact N-O 3.32Å; C901-L903 HydrophobicContact CB-CD1 4.36Å; C901-L903 HydrophobicContact CB-CG 4.39Å; C901-L903 PolarHBondContact O-N 2.9Å; C901-L903 VanDerWaalsContact O-N 3.08Å
904	A	92.7	Very high	92.7	Very high	50.25 Å²	50.25	66.3 Å²	66.3	42%	0.415	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-69.5	144.8	168.9	0	0	0	0	0	111.1	N480 S483 T896 T897	N480-A904 VanDerWaalsContact ND2-CA 3.32Å; N480-A904 WeakPolarHBondContact ND2-CA 3.44Å; N480-A904 WeakPolarHBondContact ND2-CB 3.49Å; S483-A904 WeakPolarHBondContact OG-CB 3.23Å; T896-A904 VanDerWaalsContact O-CA 3.28Å; T896-A904 WeakPolarHBondContact O-CA 3.33Å; T897-A904 HydrophobicContact CG2-CB 4.09Å
905	Y	93.6	Very high	92.6	Very high	37.25 Å²	37.25	69.5 Å²	69.5	15%	0.146	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-67.2	149	173.6	-55.9	-51.7	0	0	0	111.4	S894 L895 T896 T897 C898 E909 L911 W920 A921 H922	S894-Y905 VanDerWaalsContact O-CE2 3.24Å; S894-Y905 WeakPolarHBondContact O-CE2 3.33Å; S894-Y905 PolarHBondContact O-OH 3.04Å; S894-Y905 VanDerWaalsContact O-OH 3.1Å; L895-Y905 VanDerWaalsContact C-CE2 3.41Å; L895-Y905 WeakPolarHBondContact O-CD2 3.33Å; L895-Y905 WeakPolarHBondContact O-CE2 3.37Å; T896-Y905 VanDerWaalsContact C-CD2 3.42Å; T896-Y905 VanDerWaalsContact O-CD2 3.25Å; T896-Y905 WeakPolarHBondContact O-CD2 3.24Å; T896-Y905 PolarHBondContact O-N 3.12Å; T896-Y905 VanDerWaalsContact O-N 3.11Å; T897-Y905 VanDerWaalsContact C-CE1 3.45Å; T897-Y905 VanDerWaalsContact O-CZ 3.32Å; T897-Y905 PolarHBondContact O-OH 2.78Å; C898-Y905 WeakPolarHBondContact CA-OH 3.43Å; C898-Y905 HydrophobicContact CB-CD1 4.47Å; C898-Y905 HydrophobicContact CB-CE1 3.76Å; C898-Y905 PolarHBondContact N-OH 2.95Å; Y905-E909 WeakPolarHBondContact CA-OE2 3.25Å; Y905-L911 HydrophobicContact CD1-CD1 3.97Å; Y905-L911 HydrophobicContact CD1-CD2 3.3Å; Y905-L911 HydrophobicContact CD1-CG 4.3Å; Y905-L911 HydrophobicContact CD2-CD1 3.95Å; Y905-L911 HydrophobicContact CD2-CD2 4.37Å; Y905-L911 HydrophobicContact CE1-CD1 4.23Å; Y905-L911 HydrophobicContact CE1-CD2 3.53Å; Y905-L911 VanDerWaalsContact CE1-CD2 3.45Å; Y905-L911 HydrophobicContact CE1-CG 4.42Å; Y905-L911 HydrophobicContact CE2-CD1 4.2Å; Y905-L911 HydrophobicContact CG-CD1 3.84Å; Y905-L911 HydrophobicContact CG-CD2 3.97Å; Y905-L911 HydrophobicContact CG-CG 4.36Å; Y905-W920 HydrophobicContact CE2-CB 4.16Å; Y905-W920 VanDerWaalsContact OH-CB 3.27Å; Y905-W920 WeakPolarHBondContact OH-CB 3.39Å; Y905-W920 PolarHBondContact OH-O 3.3Å; Y905-W920 VanDerWaalsContact OH-O 3.13Å; Y905-A921 WeakPolarHBondContact OH-CA 3.19Å; Y905-A921 PolarHBondContact OH-N 2.91Å; Y905-A921 VanDerWaalsContact OH-N 3.13Å; Y905-H922 AromaticContact CD1-CD2 3.52Å; Y905-H922 VanDerWaalsContact CD1-CD2 3.47Å; Y905-H922 WeakPolarHBondContact CD1-CD2 3.45Å; Y905-H922 AromaticContact CD1-NE2 3.32Å; Y905-H922 VanDerWaalsContact CD1-NE2 3.27Å; Y905-H922 WeakPolarHBondContact CD1-NE2 3.33Å; Y905-H922 AromaticContact CE1-CD2 3.69Å; Y905-H922 AromaticContact CE1-NE2 3.77Å
906	R	90	Very high	92.6	Very high	166.25 Å²	166.25	69 Å²	69	63%	0.627	35%	0.353	S	S	*	.			trans	-113.7	166.3	169.1	-52.4	177.4	-169.8	-103.6	-6.8	110	E909	R906-E909 HydrophobicContact CB-CG 4.03Å; R906-E909 VanDerWaalsContact CD-OE1 3.26Å; R906-E909 WeakPolarHBondContact CD-OE1 3.42Å; R906-E909 VanDerWaalsContact CG-OE1 3.3Å; R906-E909 WeakPolarHBondContact CG-OE1 3.39Å; R906-E909 PolarHBondContact N-OE2 2.82Å; R906-E909 IonicContact NE-OE1 3.21Å; R906-E909 PolarHBondContact NE-OE1 3.1Å
907	E	87.1	Confident	92.6	Very high	142.25 Å²	142.25	65.8 Å²	65.8	67%	0.665	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	151.7	160.2	-69.5	151.7	-146.2	0	0	109.8	N476 S557 P558 E909	N476-E907 PolarHBondContact ND2-OE1 2.7Å; S557-E907 WeakPolarHBondContact CA-OE1 3.45Å; S557-E907 WeakPolarHBondContact CB-OE1 3.48Å; S557-E907 PolarHBondContact OG-OE1 3.04Å; P558-E907 WeakPolarHBondContact CD-OE2 3.28Å; E907-E909 VanDerWaalsContact C-N 3.27Å; E907-E909 PolarHBondContact O-N 3.09Å; E907-E909 VanDerWaalsContact O-N 3.12Å
908	E	85.7	Confident	92.7	Very high	203.25 Å²	203.25	67.7 Å²	67.7	95%	0.95	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	-3.5	-177.4	-52.2	-178.4	171.5	0	0	117
909	E	91.8	Very high	92.7	Very high	67.5 Å²	67.5	68.6 Å²	68.6	32%	0.315	35%	0.349	S	S	.	.			trans	-79.1	125.9	173.6	-73.7	176.4	166.3	0	0	112.2	Y905 R906 E907 L911 H922	Y905-E909 WeakPolarHBondContact CA-OE2 3.25Å; R906-E909 HydrophobicContact CB-CG 4.03Å; R906-E909 VanDerWaalsContact CD-OE1 3.26Å; R906-E909 WeakPolarHBondContact CD-OE1 3.42Å; R906-E909 VanDerWaalsContact CG-OE1 3.3Å; R906-E909 WeakPolarHBondContact CG-OE1 3.39Å; R906-E909 PolarHBondContact N-OE2 2.82Å; R906-E909 IonicContact NE-OE1 3.21Å; R906-E909 PolarHBondContact NE-OE1 3.1Å; E907-E909 VanDerWaalsContact C-N 3.27Å; E907-E909 PolarHBondContact O-N 3.09Å; E907-E909 VanDerWaalsContact O-N 3.12Å; E909-L911 HydrophobicContact CB-CD2 4.43Å; E909-L911 WeakPolarHBondContact O-CD2 3.27Å; E909-L911 WeakPolarHBondContact O-CG 3.26Å; E909-L911 PolarHBondContact O-N 3.12Å; E909-H922 IonicContact OE2-CD2 3.51Å; E909-H922 IonicContact OE2-NE2 2.9Å; E909-H922 PolarHBondContact OE2-NE2 3.28Å
910	L	93.3	Very high	92.9	Very high	45.5 Å²	45.5	71.3 Å²	71.3	24%	0.238	36%	0.356	C	S	.	.			trans	-65.5	122.4	177.1	-70.1	178.9	0	0	0	111.5	H922 A923 E931 L934	L910-H922 CarbonylContact O-C 3.45Å; L910-H922 WeakPolarHBondContact O-CA 3.23Å; L910-A923 HydrophobicContact CB-CB 3.67Å; L910-A923 VanDerWaalsContact O-CB 3.29Å; L910-A923 WeakPolarHBondContact O-CB 3.45Å; L910-A923 PolarHBondContact O-N 3.3Å; L910-E931 HydrophobicContact CD2-CB 4.49Å; L910-L934 HydrophobicContact CB-CD2 4.22Å; L910-L934 HydrophobicContact CD2-CD2 4.06Å
911	L	95.6	Very high	93	Very high	48 Å²	48	69.2 Å²	69.2	25%	0.251	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.1	-178.2	-51.7	-170.5	0	0	0	112.5	Y905 E909 W920 A921 L934	Y905-L911 HydrophobicContact CD1-CD1 3.97Å; Y905-L911 HydrophobicContact CD1-CD2 3.3Å; Y905-L911 HydrophobicContact CD1-CG 4.3Å; Y905-L911 HydrophobicContact CD2-CD1 3.95Å; Y905-L911 HydrophobicContact CD2-CD2 4.37Å; Y905-L911 HydrophobicContact CE1-CD1 4.23Å; Y905-L911 HydrophobicContact CE1-CD2 3.53Å; Y905-L911 VanDerWaalsContact CE1-CD2 3.45Å; Y905-L911 HydrophobicContact CE1-CG 4.42Å; Y905-L911 HydrophobicContact CE2-CD1 4.2Å; Y905-L911 HydrophobicContact CG-CD1 3.84Å; Y905-L911 HydrophobicContact CG-CD2 3.97Å; Y905-L911 HydrophobicContact CG-CG 4.36Å; E909-L911 HydrophobicContact CB-CD2 4.43Å; E909-L911 WeakPolarHBondContact O-CD2 3.27Å; E909-L911 WeakPolarHBondContact O-CG 3.26Å; E909-L911 PolarHBondContact O-N 3.12Å; L911-W920 HydrophobicContact CB-CE3 3.99Å; L911-W920 HydrophobicContact CB-CZ3 4.36Å; L911-A921 CarbonylContact C-O 3.53Å; L911-A921 WeakPolarHBondContact CA-O 3.4Å; L911-L934 WeakPolarHBondContact O-CD2 3.36Å
912	V	95.2	Very high	93.1	Very high	1.25 Å²	1.25	67.7 Å²	67.7	1%	0.008	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.3	179.6	69	0	0	0	0	111.3	W920 A921 A923 L928 L934 Y942	V912-W920 CarbonylContact O-C 3.26Å; V912-W920 VanDerWaalsContact O-CA 3.3Å; V912-W920 WeakPolarHBondContact O-CA 3.35Å; V912-A921 HydrophobicContact CG1-CB 4.36Å; V912-A921 PolarHBondContact N-O 3.14Å; V912-A921 PolarHBondContact O-N 3.14Å; V912-A923 HydrophobicContact CB-CB 4.5Å; V912-L928 HydrophobicContact CB-CD1 4.43Å; V912-L928 HydrophobicContact CG1-CD1 4.48Å; V912-L928 HydrophobicContact CG2-CD1 4.1Å; V912-L934 HydrophobicContact CB-CD1 3.49Å; V912-L934 VanDerWaalsContact CB-CD1 3.48Å; V912-L934 HydrophobicContact CG2-CD1 3.55Å; V912-Y942 HydrophobicContact CB-CD1 4.38Å; V912-Y942 HydrophobicContact CB-CE1 4.19Å; V912-Y942 HydrophobicContact CG1-CD1 4.16Å; V912-Y942 HydrophobicContact CG1-CE1 3.49Å; V912-Y942 VanDerWaalsContact CG1-CE1 3.49Å; V912-Y942 HydrophobicContact CG1-CE2 4.11Å; V912-Y942 WeakPolarHBondContact CG1-OH 3.34Å; V912-Y942 HydrophobicContact CG2-CD1 3.4Å; V912-Y942 VanDerWaalsContact CG2-CD1 3.42Å; V912-Y942 HydrophobicContact CG2-CD2 3.84Å; V912-Y942 HydrophobicContact CG2-CE1 3.67Å; V912-Y942 HydrophobicContact CG2-CE2 4.08Å; V912-Y942 HydrophobicContact CG2-CG 3.5Å; V912-Y942 VanDerWaalsContact CG2-CG 3.49Å
913	R	95.3	Very high	93.2	Very high	136 Å²	136	62.6 Å²	62.6	51%	0.513	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.4	179.2	-171.7	-177	63	-163.8	-6.4	111.3	A915 T918 R919 W920	R913-A915 PolarHBondContact O-N 3.49Å; R913-T918 WeakPolarHBondContact CG-O 3.33Å; R913-R919 WeakPolarHBondContact CA-O 3.43Å; R913-W920 HydrophobicContact CB-CD2 3.86Å; R913-W920 HydrophobicContact CB-CE3 3.98Å; R913-W920 HydrophobicContact CB-CG 4.36Å; R913-W920 HydrophobicContact CB-CH2 4.42Å; R913-W920 HydrophobicContact CB-CZ2 4.31Å; R913-W920 HydrophobicContact CB-CZ3 4.26Å; R913-W920 HydrophobicContact CG-CD2 4.17Å; R913-W920 HydrophobicContact CG-CG 4.36Å; R913-W920 HydrophobicContact CG-CZ2 4.45Å
914	C	95.4	Very high	93.3	Very high	0.75 Å²	0.75	63.1 Å²	63.1	1%	0.005	31%	0.31	C	S	.	.			trans	-66.6	128.9	175.7	-173.3	0	0	0	0	111.9	L916 C917 T918 R919 Y942 C944 C947	C914-L916 VanDerWaalsContact C-N 3.28Å; C914-L916 PolarHBondContact O-N 3.24Å; C914-C917 VanDerWaalsContact CB-SG 3.54Å; C914-C917 PolarHBondContact SG-SG 3.23Å; C914-C917 VanDerWaalsContact SG-SG 3.65Å; C914-T918 VanDerWaalsContact O-CA 3.22Å; C914-T918 WeakPolarHBondContact O-CA 3.31Å; C914-T918 PolarHBondContact O-N 3.11Å; C914-T918 VanDerWaalsContact O-N 3.12Å; C914-R919 WeakPolarHBondContact CB-O 3.33Å; C914-R919 PolarHBondContact N-O 2.97Å; C914-Y942 CarbonylContact C-O 3.47Å; C914-Y942 WeakPolarHBondContact CA-O 3.39Å; C914-C944 HydrophobicContact CB-CB 3.93Å; C914-C944 PolarHBondContact SG-N 2.96Å; C914-C944 VanDerWaalsContact SG-N 3.37Å; C914-C944 VanDerWaalsContact SG-SG 3.64Å; C914-C947 VanDerWaalsContact SG-SG 3.65Å
915	A	93.1	Very high	93.3	Very high	67.5 Å²	67.5	62.4 Å²	62.4	56%	0.558	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-35.9	176.2	0	0	0	0	0	112.8	R913 Y942	R913-A915 PolarHBondContact O-N 3.49Å; A915-Y942 WeakPolarHBondContact CB-O 3.29Å; A915-Y942 PolarHBondContact N-O 3.27Å
916	L	92.8	Very high	93.2	Very high	80.25 Å²	80.25	60.9 Å²	60.9	42%	0.42	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-52.9	-175.9	-63.7	173	0	0	0	113.4	L878 C914 N943 C947 A952	L878-L916 HydrophobicContact CD2-CB 4.25Å; L878-L916 WeakPolarHBondContact CD2-O 3.4Å; C914-L916 VanDerWaalsContact C-N 3.28Å; C914-L916 PolarHBondContact O-N 3.24Å; L916-N943 HydrophobicContact CD1-CB 4.29Å; L916-N943 WeakPolarHBondContact CG-OD1 3.41Å; L916-C947 HydrophobicContact CD1-CB 4.3Å; L916-A952 HydrophobicContact CD1-CB 3.51Å; L916-A952 VanDerWaalsContact CD1-CB 3.48Å
917	C	94	Very high	93.1	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.02	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	3.2	-174	69.7	0	0	0	0	114.2	L878 P891 C914 R919 C944 C947	L878-C917 HydrophobicContact CB-CB 4.3Å; L878-C917 VanDerWaalsContact O-CB 3.24Å; L878-C917 WeakPolarHBondContact O-CB 3.37Å; P891-C917 WeakPolarHBondContact CG-O 3.41Å; C914-C917 VanDerWaalsContact CB-SG 3.54Å; C914-C917 PolarHBondContact SG-SG 3.23Å; C914-C917 VanDerWaalsContact SG-SG 3.65Å; C917-R919 HydrophobicContact CB-CG 4.41Å; C917-R919 PolarHBondContact O-N 3.12Å; C917-R919 VanDerWaalsContact SG-CG 3.59Å; C917-C944 VanDerWaalsContact SG-SG 3.68Å; C917-C947 PolarHBondContact SG-SG 3.16Å
918	T	94.8	Very high	93.3	Very high	75.5 Å²	75.5	51.3 Å²	51.3	46%	0.463	26%	0.259	S	S	.	.			trans	56.6	2.8	-178.5	66.3	0	0	0	0	116.4	P891 R913 C914	P891-T918 WeakPolarHBondContact CB-OG1 3.22Å; P891-T918 WeakPolarHBondContact CG-OG1 3.27Å; R913-T918 WeakPolarHBondContact CG-O 3.33Å; C914-T918 VanDerWaalsContact O-CA 3.22Å; C914-T918 WeakPolarHBondContact O-CA 3.31Å; C914-T918 PolarHBondContact O-N 3.11Å; C914-T918 VanDerWaalsContact O-N 3.12Å
919	R	95.2	Very high	93.5	Very high	18 Å²	18	48.2 Å²	48.2	7%	0.068	24%	0.238	C	C	.	.			trans	-66	142.7	175.4	-64.6	176.9	-176.2	-109.5	23.8	111.3	N879 A890 S894 P899 R913 C914 C917	N879-R919 PolarHBondContact O-NH2 3.07Å; A890-R919 VanDerWaalsContact CB-CZ 3.42Å; A890-R919 VanDerWaalsContact CB-NH1 3.3Å; A890-R919 VanDerWaalsContact CB-NH2 3.35Å; A890-R919 PolarHBondContact O-NH1 3.14Å; S894-R919 WeakPolarHBondContact OG-CA 3.4Å; S894-R919 VanDerWaalsContact OG-CB 3.28Å; S894-R919 WeakPolarHBondContact OG-CB 3.11Å; P899-R919 HydrophobicContact CG-CB 4.42Å; R913-R919 WeakPolarHBondContact CA-O 3.43Å; C914-R919 WeakPolarHBondContact CB-O 3.33Å; C914-R919 PolarHBondContact N-O 2.97Å; C917-R919 HydrophobicContact CB-CG 4.41Å; C917-R919 PolarHBondContact O-N 3.12Å; C917-R919 VanDerWaalsContact SG-CG 3.59Å
920	W	95.9	Very high	93.4	Very high	78 Å²	78	47.9 Å²	47.9	30%	0.295	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	161.1	166.3	-61.9	76.6	0	0	0	110.8	S894 P899 Y905 L911 V912 R913	S894-W920 WeakPolarHBondContact O-CB 3.37Å; S894-W920 PolarHBondContact OG-N 3.06Å; S894-W920 VanDerWaalsContact OG-N 3.1Å; P899-W920 WeakPolarHBondContact CD-O 3.41Å; P899-W920 VanDerWaalsContact CG-O 3.26Å; P899-W920 WeakPolarHBondContact CG-O 3.43Å; Y905-W920 HydrophobicContact CE2-CB 4.16Å; Y905-W920 VanDerWaalsContact OH-CB 3.27Å; Y905-W920 WeakPolarHBondContact OH-CB 3.39Å; Y905-W920 PolarHBondContact OH-O 3.3Å; Y905-W920 VanDerWaalsContact OH-O 3.13Å; L911-W920 HydrophobicContact CB-CE3 3.99Å; L911-W920 HydrophobicContact CB-CZ3 4.36Å; V912-W920 CarbonylContact O-C 3.26Å; V912-W920 VanDerWaalsContact O-CA 3.3Å; V912-W920 WeakPolarHBondContact O-CA 3.35Å; R913-W920 HydrophobicContact CB-CD2 3.86Å; R913-W920 HydrophobicContact CB-CE3 3.98Å; R913-W920 HydrophobicContact CB-CG 4.36Å; R913-W920 HydrophobicContact CB-CH2 4.42Å; R913-W920 HydrophobicContact CB-CZ2 4.31Å; R913-W920 HydrophobicContact CB-CZ3 4.26Å; R913-W920 HydrophobicContact CG-CD2 4.17Å; R913-W920 HydrophobicContact CG-CG 4.36Å; R913-W920 HydrophobicContact CG-CZ2 4.45Å
921	A	95.6	Very high	93.3	Very high	1.75 Å²	1.75	52.2 Å²	52.2	1%	0.014	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	164.2	172.7	0	0	0	0	0	109.3	C898 I900 Y905 L911 V912 A923	C898-A921 HydrophobicContact CB-CB 4.49Å; C898-A921 VanDerWaalsContact SG-CB 3.59Å; I900-A921 HydrophobicContact CD1-CB 3.73Å; I900-A921 HydrophobicContact CG1-CB 4.29Å; Y905-A921 WeakPolarHBondContact OH-CA 3.19Å; Y905-A921 PolarHBondContact OH-N 2.91Å; Y905-A921 VanDerWaalsContact OH-N 3.13Å; L911-A921 CarbonylContact C-O 3.53Å; L911-A921 WeakPolarHBondContact CA-O 3.4Å; V912-A921 HydrophobicContact CG1-CB 4.36Å; V912-A921 PolarHBondContact N-O 3.14Å; V912-A921 PolarHBondContact O-N 3.14Å; A921-A923 PolarHBondContact O-N 2.87Å
922	H	95.5	Very high	93.1	Very high	13.25 Å²	13.25	54.6 Å²	54.6	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	136.8	164.2	-50.5	118.3	0	0	0	109.2	C898 C901 Y905 E909 L910 N924 C925	C898-H922 VanDerWaalsContact CB-CE1 3.4Å; C898-H922 WeakPolarHBondContact CB-CE1 3.15Å; C898-H922 WeakPolarHBondContact CB-ND1 3.43Å; C898-H922 PolarHBondContact SG-N 3.09Å; C898-H922 VanDerWaalsContact SG-N 3.42Å; C901-H922 PolarHBondContact SG-CE1 3.06Å; C901-H922 PolarHBondContact SG-ND1 3.14Å; C901-H922 VanDerWaalsContact SG-ND1 3.35Å; Y905-H922 AromaticContact CD1-CD2 3.52Å; Y905-H922 VanDerWaalsContact CD1-CD2 3.47Å; Y905-H922 WeakPolarHBondContact CD1-CD2 3.45Å; Y905-H922 AromaticContact CD1-NE2 3.32Å; Y905-H922 VanDerWaalsContact CD1-NE2 3.27Å; Y905-H922 WeakPolarHBondContact CD1-NE2 3.33Å; Y905-H922 AromaticContact CE1-CD2 3.69Å; Y905-H922 AromaticContact CE1-NE2 3.77Å; E909-H922 IonicContact OE2-CD2 3.51Å; E909-H922 IonicContact OE2-NE2 2.9Å; E909-H922 PolarHBondContact OE2-NE2 3.28Å; L910-H922 CarbonylContact O-C 3.45Å; L910-H922 WeakPolarHBondContact O-CA 3.23Å; H922-N924 VanDerWaalsContact C-N 3.27Å; H922-N924 PolarHBondContact O-N 3.14Å; H922-C925 HydrophobicContact CB-CB 4.19Å; H922-C925 PolarHBondContact ND1-SG 3.02Å; H922-C925 VanDerWaalsContact ND1-SG 3.42Å; H922-C925 WeakPolarHBondContact O-CB 3.25Å; H922-C925 PolarHBondContact O-N 3.14Å; H922-C925 VanDerWaalsContact O-N 3.12Å
923	A	93.9	Very high	92.9	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-52.1	-46.6	168.8	0	0	0	0	0	110.3	L910 V912 A921 C925 D926 Q927 L928 L934	L910-A923 HydrophobicContact CB-CB 3.67Å; L910-A923 VanDerWaalsContact O-CB 3.29Å; L910-A923 WeakPolarHBondContact O-CB 3.45Å; L910-A923 PolarHBondContact O-N 3.3Å; V912-A923 HydrophobicContact CB-CB 4.5Å; A921-A923 PolarHBondContact O-N 2.87Å; A923-C925 VanDerWaalsContact C-N 3.26Å; A923-C925 PolarHBondContact O-N 3.1Å; A923-D926 CarbonylContact O-C 3.34Å; A923-D926 PolarHBondContact O-N 3.21Å; A923-Q927 PolarHBondContact O-N 3.18Å; A923-L928 CarbonylContact C-O 3.32Å; A923-L928 HydrophobicContact CB-CB 3.79Å; A923-L928 WeakPolarHBondContact CB-O 3.47Å; A923-L928 PolarHBondContact O-N 3.03Å; A923-L934 HydrophobicContact CB-CD1 4.2Å; A923-L934 HydrophobicContact CB-CD2 4.48Å
924	N	92	Very high	92.8	Very high	89.5 Å²	89.5	50.5 Å²	50.5	48%	0.479	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-63.4	-26	-178.6	-55.1	68.8	0	0	0	113.6	H922 D926 Q927 L928	H922-N924 VanDerWaalsContact C-N 3.27Å; H922-N924 PolarHBondContact O-N 3.14Å; N924-D926 PolarHBondContact O-N 3.22Å; N924-Q927 PolarHBondContact O-N 3.11Å; N924-Q927 VanDerWaalsContact O-N 3.12Å; N924-L928 VanDerWaalsContact CA-O 3.24Å; N924-L928 WeakPolarHBondContact CA-O 3.25Å; N924-L928 PolarHBondContact N-O 3.04Å; N924-L928 VanDerWaalsContact N-O 3.09Å
925	C	93.2	Very high	92.6	Very high	35.5 Å²	35.5	55.4 Å²	55.4	24%	0.24	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-68	-21.9	175.2	-75.6	0	0	0	0	113	C898 I900 C901 H922 A923 L945	C898-C925 VanDerWaalsContact SG-SG 3.68Å; I900-C925 HydrophobicContact CB-CB 4.15Å; I900-C925 HydrophobicContact CD1-CB 4.02Å; I900-C925 HydrophobicContact CG2-CB 4.15Å; C901-C925 PolarHBondContact SG-SG 3.16Å; H922-C925 HydrophobicContact CB-CB 4.19Å; H922-C925 PolarHBondContact ND1-SG 3.02Å; H922-C925 VanDerWaalsContact ND1-SG 3.42Å; H922-C925 WeakPolarHBondContact O-CB 3.25Å; H922-C925 PolarHBondContact O-N 3.14Å; H922-C925 VanDerWaalsContact O-N 3.12Å; A923-C925 VanDerWaalsContact C-N 3.26Å; A923-C925 PolarHBondContact O-N 3.1Å; C925-L945 WeakPolarHBondContact O-CD1 3.33Å
926	D	92.6	Very high	92.5	Very high	6.75 Å²	6.75	54.8 Å²	54.8	4%	0.036	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-113.9	29.2	170.4	-166.2	36.1	0	0	0	111.4	A923 N924 L928 Y942 L945 R948 H958	A923-D926 CarbonylContact O-C 3.34Å; A923-D926 PolarHBondContact O-N 3.21Å; N924-D926 PolarHBondContact O-N 3.22Å; D926-L928 PolarHBondContact O-N 3.08Å; D926-L928 VanDerWaalsContact O-N 3.11Å; D926-Y942 HydrophobicContact CB-CE2 4.25Å; D926-Y942 VanDerWaalsContact CB-OH 3.25Å; D926-Y942 WeakPolarHBondContact CB-OH 3.39Å; D926-Y942 VanDerWaalsContact CG-OH 3.31Å; D926-Y942 WeakPolarHBondContact OD2-CE2 3.3Å; D926-Y942 VanDerWaalsContact OD2-CZ 3.31Å; D926-Y942 PolarHBondContact OD2-OH 3.38Å; D926-Y942 VanDerWaalsContact OD2-OH 3.06Å; D926-L945 HydrophobicContact CB-CD1 4.3Å; D926-L945 HydrophobicContact CB-CG 4.44Å; D926-L945 WeakPolarHBondContact OD1-CD2 3.31Å; D926-L945 WeakPolarHBondContact OD1-CG 3.44Å; D926-R948 IonicContact OD1-CZ 3.52Å; D926-R948 VanDerWaalsContact OD1-CZ 3.29Å; D926-R948 IonicContact OD1-NH1 3.54Å; D926-R948 PolarHBondContact OD1-NH1 2.85Å; D926-R948 IonicContact OD1-NH2 2.89Å; D926-R948 PolarHBondContact OD1-NH2 3.14Å; D926-R948 VanDerWaalsContact OD1-NH2 3.07Å; D926-R948 IonicContact OD2-CZ 2.84Å; D926-R948 VanDerWaalsContact OD2-CZ 3.28Å; D926-R948 IonicContact OD2-NH1 3.18Å; D926-R948 PolarHBondContact OD2-NH1 3.12Å; D926-R948 IonicContact OD2-NH2 3.07Å; D926-R948 PolarHBondContact OD2-NH2 3.23Å; D926-H958 PolarHBondContact O-CE1 3.17Å; D926-H958 VanDerWaalsContact O-CE1 3.26Å; D926-H958 PolarHBondContact O-NE2 3.2Å; D926-H958 IonicContact OD1-CE1 3.21Å; D926-H958 PolarHBondContact OD1-CE1 3.43Å; D926-H958 IonicContact OD1-ND1 3.62Å; D926-H958 IonicContact OD2-CE1 3.19Å; D926-H958 PolarHBondContact OD2-CE1 3.23Å; D926-H958 VanDerWaalsContact OD2-CE1 3.23Å; D926-H958 IonicContact OD2-CG 3.28Å; D926-H958 IonicContact OD2-ND1 3.14Å; D926-H958 PolarHBondContact OD2-ND1 3.25Å
927	Q	87.9	Confident	92.5	Very high	106 Å²	106	50.9 Å²	50.9	50%	0.495	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	5.4	177.3	-48.3	-170.1	46.8	0	0	117	A923 N924 R929 R965	A923-Q927 PolarHBondContact O-N 3.18Å; N924-Q927 PolarHBondContact O-N 3.11Å; N924-Q927 VanDerWaalsContact O-N 3.12Å; Q927-R929 WeakPolarHBondContact O-CG 3.45Å; Q927-R929 PolarHBondContact O-N 3.04Å; Q927-R929 PolarHBondContact O-NH1 3.13Å; Q927-R965 PolarHBondContact O-NH1 2.98Å; Q927-R965 PolarHBondContact O-NH2 3.24Å
928	L	91.3	Very high	92.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.268	C	S	.	.			trans	-68.2	123.7	167.7	-60.6	173.9	0	0	0	107.7	V912 A923 N924 D926 E933 L934 A937 Y942 V961	V912-L928 HydrophobicContact CB-CD1 4.43Å; V912-L928 HydrophobicContact CG1-CD1 4.48Å; V912-L928 HydrophobicContact CG2-CD1 4.1Å; A923-L928 CarbonylContact C-O 3.32Å; A923-L928 HydrophobicContact CB-CB 3.79Å; A923-L928 WeakPolarHBondContact CB-O 3.47Å; A923-L928 PolarHBondContact O-N 3.03Å; N924-L928 VanDerWaalsContact CA-O 3.24Å; N924-L928 WeakPolarHBondContact CA-O 3.25Å; N924-L928 PolarHBondContact N-O 3.04Å; N924-L928 VanDerWaalsContact N-O 3.09Å; D926-L928 PolarHBondContact O-N 3.08Å; D926-L928 VanDerWaalsContact O-N 3.11Å; L928-E933 HydrophobicContact CD2-CB 4.38Å; L928-L934 HydrophobicContact CD1-CD1 4.26Å; L928-A937 HydrophobicContact CD1-CB 3.58Å; L928-A937 HydrophobicContact CD2-CB 3.85Å; L928-A937 HydrophobicContact CG-CB 4.39Å; L928-Y942 HydrophobicContact CD1-CD2 3.95Å; L928-Y942 HydrophobicContact CD1-CE2 3.85Å; L928-V961 HydrophobicContact CD2-CB 4.32Å; L928-V961 HydrophobicContact CD2-CG1 3.9Å; L928-V961 HydrophobicContact CD2-CG2 4.34Å
929	R	88.5	Confident	92.3	Very high	138.5 Å²	138.5	56.3 Å²	56.3	52%	0.523	28%	0.278	S	S	.	.			trans	-121.9	-23.9	-166.3	-76.3	178.8	-179.4	91.2	-0.4	114.6	Q927 E933 R965	Q927-R929 WeakPolarHBondContact O-CG 3.45Å; Q927-R929 PolarHBondContact O-N 3.04Å; Q927-R929 PolarHBondContact O-NH1 3.13Å; R929-E933 WeakPolarHBondContact CA-OE2 3.38Å; R929-E933 PolarHBondContact N-OE2 3.28Å; R929-R965 VanDerWaalsContact NH1-NH1 3.17Å
930	T	89.7	Confident	92.1	Very high	60 Å²	60	59.3 Å²	59.3	37%	0.368	30%	0.295	S	S	.	.	S	Bend	trans	-117.7	164.2	175.8	67.7	0	0	0	0	111	D932 E933 L934	T930-D932 VanDerWaalsContact C-N 3.35Å; T930-D932 WeakPolarHBondContact CB-OD2 3.01Å; T930-D932 PolarHBondContact OG1-OD2 3.34Å; T930-E933 PolarHBondContact N-OE2 3.04Å; T930-E933 VanDerWaalsContact N-OE2 3.15Å; T930-E933 PolarHBondContact O-N 2.98Å; T930-E933 WeakPolarHBondContact OG1-CB 3.27Å; T930-E933 WeakPolarHBondContact OG1-CG 3.31Å; T930-E933 PolarHBondContact OG1-N 3.09Å; T930-E933 PolarHBondContact OG1-OE2 3.08Å; T930-L934 WeakPolarHBondContact O-CB 3.35Å; T930-L934 PolarHBondContact O-N 2.96Å; T930-L934 VanDerWaalsContact O-N 3.12Å
931	E	92.3	Very high	91.9	Very high	136.5 Å²	136.5	56.7 Å²	56.7	64%	0.638	29%	0.292	S	S	*	.	H	α-helix	trans	-65	-42.4	176.2	-165	163.9	-161.4	0	0	111	L910 E933 L934 E935	L910-E931 HydrophobicContact CD2-CB 4.49Å; E931-E933 VanDerWaalsContact C-N 3.3Å; E931-E933 PolarHBondContact O-N 3.18Å; E931-L934 CarbonylContact O-C 3.48Å; E931-L934 WeakPolarHBondContact O-CA 3.4Å; E931-L934 WeakPolarHBondContact O-CB 3.44Å; E931-L934 PolarHBondContact O-N 2.98Å; E931-L934 VanDerWaalsContact O-N 3.09Å; E931-E935 PolarHBondContact O-N 3.22Å
932	D	90.3	Very high	91.9	Very high	99.5 Å²	99.5	56.7 Å²	56.7	53%	0.532	29%	0.292	S	S	.	.	H	α-helix	trans	-57.7	-42.4	174.8	-31.1	-52.3	0	0	0	112.6	T930 L934 E935 I936 F980	T930-D932 VanDerWaalsContact C-N 3.35Å; T930-D932 WeakPolarHBondContact CB-OD2 3.01Å; T930-D932 PolarHBondContact OG1-OD2 3.34Å; D932-L934 VanDerWaalsContact C-N 3.31Å; D932-L934 PolarHBondContact O-N 3.07Å; D932-E935 PolarHBondContact O-N 3.26Å; D932-I936 WeakPolarHBondContact O-CD1 3.34Å; D932-I936 VanDerWaalsContact O-CG1 3.25Å; D932-I936 WeakPolarHBondContact O-CG1 3.32Å; D932-I936 PolarHBondContact O-N 3.21Å; D932-I936 VanDerWaalsContact O-N 3.11Å; D932-F980 HydrophobicContact CB-CE1 3.8Å; D932-F980 HydrophobicContact CB-CZ 3.55Å
933	E	91.8	Very high	91.8	Very high	29.5 Å²	29.5	57 Å²	57	14%	0.138	29%	0.293	C	S	.	.	H	α-helix	trans	-66.2	-35.2	175.5	-72.1	175.8	153.8	0	0	112	L928 R929 T930 E931 A937 V961 R965	L928-E933 HydrophobicContact CD2-CB 4.38Å; R929-E933 WeakPolarHBondContact CA-OE2 3.38Å; R929-E933 PolarHBondContact N-OE2 3.28Å; T930-E933 PolarHBondContact N-OE2 3.04Å; T930-E933 VanDerWaalsContact N-OE2 3.15Å; T930-E933 PolarHBondContact O-N 2.98Å; T930-E933 WeakPolarHBondContact OG1-CB 3.27Å; T930-E933 WeakPolarHBondContact OG1-CG 3.31Å; T930-E933 PolarHBondContact OG1-N 3.09Å; T930-E933 PolarHBondContact OG1-OE2 3.08Å; E931-E933 VanDerWaalsContact C-N 3.3Å; E931-E933 PolarHBondContact O-N 3.18Å; E933-A937 WeakPolarHBondContact O-CB 3.27Å; E933-A937 PolarHBondContact O-N 2.78Å; E933-V961 HydrophobicContact CB-CG1 3.99Å; E933-V961 HydrophobicContact CB-CG2 4.12Å; E933-V961 HydrophobicContact CG-CG1 3.79Å; E933-V961 HydrophobicContact CG-CG2 4.39Å; E933-V961 WeakPolarHBondContact O-CG2 3.32Å; E933-R965 IonicContact OE1-CZ 3.36Å; E933-R965 IonicContact OE1-NE 3.17Å; E933-R965 PolarHBondContact OE1-NE 3.2Å; E933-R965 IonicContact OE1-NH2 3.22Å; E933-R965 PolarHBondContact OE1-NH2 3.03Å; E933-R965 IonicContact OE2-CZ 3.31Å; E933-R965 IonicContact OE2-NE 2.9Å; E933-R965 IonicContact OE2-NH2 2.7Å; E933-R965 PolarHBondContact OE2-NH2 2.98Å
934	L	92	Very high	91.8	Very high	21.25 Å²	21.25	57.2 Å²	57.2	11%	0.111	30%	0.295	C	S	.	.	H	α-helix	trans	-71.8	-39.2	177.6	176	61.2	0	0	0	111.8	L910 L911 V912 A923 L928 T930 E931 D932 A937 T938	L910-L934 HydrophobicContact CB-CD2 4.22Å; L910-L934 HydrophobicContact CD2-CD2 4.06Å; L911-L934 WeakPolarHBondContact O-CD2 3.36Å; V912-L934 HydrophobicContact CB-CD1 3.49Å; V912-L934 VanDerWaalsContact CB-CD1 3.48Å; V912-L934 HydrophobicContact CG2-CD1 3.55Å; A923-L934 HydrophobicContact CB-CD1 4.2Å; A923-L934 HydrophobicContact CB-CD2 4.48Å; L928-L934 HydrophobicContact CD1-CD1 4.26Å; T930-L934 WeakPolarHBondContact O-CB 3.35Å; T930-L934 PolarHBondContact O-N 2.96Å; T930-L934 VanDerWaalsContact O-N 3.12Å; E931-L934 CarbonylContact O-C 3.48Å; E931-L934 WeakPolarHBondContact O-CA 3.4Å; E931-L934 WeakPolarHBondContact O-CB 3.44Å; E931-L934 PolarHBondContact O-N 2.98Å; E931-L934 VanDerWaalsContact O-N 3.09Å; D932-L934 VanDerWaalsContact C-N 3.31Å; D932-L934 PolarHBondContact O-N 3.07Å; L934-A937 PolarHBondContact O-N 2.95Å; L934-T938 VanDerWaalsContact O-CB 3.28Å; L934-T938 WeakPolarHBondContact O-CB 3.41Å; L934-T938 PolarHBondContact O-N 3Å; L934-T938 PolarHBondContact O-OG1 3.06Å
935	E	92.9	Very high	91.8	Very high	104 Å²	104	55.1 Å²	55.1	49%	0.486	28%	0.283	S	S	.	.	H	α-helix	trans	-61.8	-54.4	173.7	-122.7	-175.8	-168.7	0	0	110.6	E931 D932 A937 T938 D939	E931-E935 PolarHBondContact O-N 3.22Å; D932-E935 PolarHBondContact O-N 3.26Å; E935-A937 VanDerWaalsContact C-N 3.28Å; E935-A937 PolarHBondContact O-N 3.05Å; E935-T938 PolarHBondContact O-N 2.93Å; E935-D939 PolarHBondContact O-N 3.27Å
936	I	90.3	Very high	91.8	Very high	53 Å²	53	55.4 Å²	55.4	27%	0.272	28%	0.282	S	S	.	.	H	α-helix	trans	-55.5	-44.5	176.8	-65.5	164.8	0	0	0	110.9	D932 T938 L940 G957 Q960 V961 Y964 F980	D932-I936 WeakPolarHBondContact O-CD1 3.34Å; D932-I936 VanDerWaalsContact O-CG1 3.25Å; D932-I936 WeakPolarHBondContact O-CG1 3.32Å; D932-I936 PolarHBondContact O-N 3.21Å; D932-I936 VanDerWaalsContact O-N 3.11Å; I936-T938 VanDerWaalsContact C-N 3.32Å; I936-T938 PolarHBondContact O-N 3.19Å; I936-L940 HydrophobicContact CG2-CD1 4.46Å; I936-L940 WeakPolarHBondContact O-CB 3.46Å; I936-L940 PolarHBondContact O-N 2.98Å; I936-G957 VanDerWaalsContact O-CA 3.24Å; I936-G957 WeakPolarHBondContact O-CA 3.39Å; I936-Q960 HydrophobicContact CG2-CB 4.37Å; I936-V961 HydrophobicContact CB-CG2 4.03Å; I936-V961 HydrophobicContact CG2-CG2 3.87Å; I936-Y964 HydrophobicContact CD1-CE2 4.43Å; I936-F980 HydrophobicContact CD1-CZ 4.47Å
937	A	92.9	Very high	91.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-36.2	177.5	0	0	0	0	0	112.9	L928 E933 L934 E935 G941 Y942 H958	L928-A937 HydrophobicContact CD1-CB 3.58Å; L928-A937 HydrophobicContact CD2-CB 3.85Å; L928-A937 HydrophobicContact CG-CB 4.39Å; E933-A937 WeakPolarHBondContact O-CB 3.27Å; E933-A937 PolarHBondContact O-N 2.78Å; L934-A937 PolarHBondContact O-N 2.95Å; E935-A937 VanDerWaalsContact C-N 3.28Å; E935-A937 PolarHBondContact O-N 3.05Å; A937-G941 CarbonylContact O-C 3.47Å; A937-G941 WeakPolarHBondContact O-CA 3.18Å; A937-G941 PolarHBondContact O-N 3.31Å; A937-Y942 HydrophobicContact CB-CD2 4.33Å; A937-Y942 WeakPolarHBondContact O-CA 3.37Å; A937-Y942 VanDerWaalsContact O-CB 3.28Å; A937-Y942 WeakPolarHBondContact O-CB 3.39Å; A937-Y942 PolarHBondContact O-N 2.84Å; A937-Y942 VanDerWaalsContact O-N 3.11Å; A937-H958 HydrophobicContact CB-CB 4.38Å
938	T	92.9	Very high	92.1	Very high	65.25 Å²	65.25	52.6 Å²	52.6	40%	0.4	27%	0.267	S	S	.	.	H	α-helix	trans	-79.5	-49.7	-176	-58.7	0	0	0	0	111.8	L934 E935 I936 L940 G941	L934-T938 VanDerWaalsContact O-CB 3.28Å; L934-T938 WeakPolarHBondContact O-CB 3.41Å; L934-T938 PolarHBondContact O-N 3Å; L934-T938 PolarHBondContact O-OG1 3.06Å; E935-T938 PolarHBondContact O-N 2.93Å; I936-T938 VanDerWaalsContact C-N 3.32Å; I936-T938 PolarHBondContact O-N 3.19Å; T938-L940 PolarHBondContact O-N 3.4Å; T938-G941 PolarHBondContact O-N 3.16Å; T938-G941 VanDerWaalsContact O-N 3.1Å
939	D	92.2	Very high	92.1	Very high	125.5 Å²	125.5	58.9 Å²	58.9	67%	0.671	30%	0.296	S	S	*	.	H	α-helix	trans	-67.5	-38.6	-174.4	-83.1	2.9	0	0	0	112.7	E935 G941	E935-D939 PolarHBondContact O-N 3.27Å; D939-G941 VanDerWaalsContact C-N 3.29Å; D939-G941 PolarHBondContact O-N 3.47Å
940	L	90.8	Very high	92.2	Very high	82 Å²	82	57.8 Å²	57.8	43%	0.429	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	15.6	175.4	-60.9	175.4	0	0	0	112.6	I936 T938 T956 G957	I936-L940 HydrophobicContact CG2-CD1 4.46Å; I936-L940 WeakPolarHBondContact O-CB 3.46Å; I936-L940 PolarHBondContact O-N 2.98Å; T938-L940 PolarHBondContact O-N 3.4Å; L940-T956 WeakPolarHBondContact O-CB 3.34Å; L940-T956 PolarHBondContact O-N 2.81Å; L940-T956 PolarHBondContact O-OG1 3Å; L940-G957 VanDerWaalsContact CB-CA 3.49Å; L940-G957 PolarHBondContact O-N 3.01Å; L940-G957 VanDerWaalsContact O-N 3.1Å
941	G	91.1	Very high	92.1	Very high	22.75 Å²	22.75	58.2 Å²	58.2	24%	0.235	32%	0.316	C	S	.	.			trans	83.3	126.2	173.4	0	0	0	0	0	114.6	A937 T938 D939 G955 T956 G957	A937-G941 CarbonylContact O-C 3.47Å; A937-G941 WeakPolarHBondContact O-CA 3.18Å; A937-G941 PolarHBondContact O-N 3.31Å; T938-G941 PolarHBondContact O-N 3.16Å; T938-G941 VanDerWaalsContact O-N 3.1Å; D939-G941 VanDerWaalsContact C-N 3.29Å; D939-G941 PolarHBondContact O-N 3.47Å; G941-G955 CarbonylContact O-C 3.44Å; G941-G955 WeakPolarHBondContact O-CA 3.4Å; G941-T956 PolarHBondContact O-N 3.16Å; G941-G957 PolarHBondContact O-N 3.12Å
942	Y	95.1	Very high	92.1	Very high	2.5 Å²	2.5	53.1 Å²	53.1	1%	0.01	30%	0.297	C	S	.	.			trans	-117.5	131.1	178.8	171.2	-95.2	0	0	0	112	V912 C914 A915 D926 L928 A937 C944 H958	V912-Y942 HydrophobicContact CB-CD1 4.38Å; V912-Y942 HydrophobicContact CB-CE1 4.19Å; V912-Y942 HydrophobicContact CG1-CD1 4.16Å; V912-Y942 HydrophobicContact CG1-CE1 3.49Å; V912-Y942 VanDerWaalsContact CG1-CE1 3.49Å; V912-Y942 HydrophobicContact CG1-CE2 4.11Å; V912-Y942 WeakPolarHBondContact CG1-OH 3.34Å; V912-Y942 HydrophobicContact CG2-CD1 3.4Å; V912-Y942 VanDerWaalsContact CG2-CD1 3.42Å; V912-Y942 HydrophobicContact CG2-CD2 3.84Å; V912-Y942 HydrophobicContact CG2-CE1 3.67Å; V912-Y942 HydrophobicContact CG2-CE2 4.08Å; V912-Y942 HydrophobicContact CG2-CG 3.5Å; V912-Y942 VanDerWaalsContact CG2-CG 3.49Å; C914-Y942 CarbonylContact C-O 3.47Å; C914-Y942 WeakPolarHBondContact CA-O 3.39Å; A915-Y942 WeakPolarHBondContact CB-O 3.29Å; A915-Y942 PolarHBondContact N-O 3.27Å; D926-Y942 HydrophobicContact CB-CE2 4.25Å; D926-Y942 VanDerWaalsContact CB-OH 3.25Å; D926-Y942 WeakPolarHBondContact CB-OH 3.39Å; D926-Y942 VanDerWaalsContact CG-OH 3.31Å; D926-Y942 WeakPolarHBondContact OD2-CE2 3.3Å; D926-Y942 VanDerWaalsContact OD2-CZ 3.31Å; D926-Y942 PolarHBondContact OD2-OH 3.38Å; D926-Y942 VanDerWaalsContact OD2-OH 3.06Å; L928-Y942 HydrophobicContact CD1-CD2 3.95Å; L928-Y942 HydrophobicContact CD1-CE2 3.85Å; A937-Y942 HydrophobicContact CB-CD2 4.33Å; A937-Y942 WeakPolarHBondContact O-CA 3.37Å; A937-Y942 VanDerWaalsContact O-CB 3.28Å; A937-Y942 WeakPolarHBondContact O-CB 3.39Å; A937-Y942 PolarHBondContact O-N 2.84Å; A937-Y942 VanDerWaalsContact O-N 3.11Å; Y942-C944 HydrophobicContact CE1-CB 3.76Å; Y942-C944 WeakPolarHBondContact OH-CA 3.26Å; Y942-H958 HydrophobicContact CD2-CB 4.22Å; Y942-H958 AromaticContact CE2-ND1 3.65Å
943	N	94.5	Very high	92.1	Very high	18.5 Å²	18.5	54.6 Å²	54.6	10%	0.099	31%	0.305	C	S	.	.			trans	-117	120.1	174.5	-65.8	-19	0	0	0	109.4	L916 R948 D953	L916-N943 HydrophobicContact CD1-CB 4.29Å; L916-N943 WeakPolarHBondContact CG-OD1 3.41Å; N943-R948 HydrophobicContact CB-CG 4.22Å; N943-R948 VanDerWaalsContact O-CD 3.32Å; N943-R948 WeakPolarHBondContact O-CD 3.44Å; N943-R948 VanDerWaalsContact O-CZ 3.24Å; N943-R948 PolarHBondContact O-NE 3.17Å; N943-R948 PolarHBondContact O-NH2 2.99Å; N943-D953 VanDerWaalsContact CB-O 3.29Å; N943-D953 WeakPolarHBondContact CB-O 3.44Å; N943-D953 PolarHBondContact ND2-O 3.2Å; N943-D953 PolarHBondContact ND2-OD1 2.99Å
944	C	93.7	Very high	92.1	Very high	3.75 Å²	3.75	56.3 Å²	56.3	3%	0.025	32%	0.315	C	S	.	.			trans	-70.1	163.5	-174.5	70.4	0	0	0	0	113.7	C914 C917 Y942 L946 C947 R948	C914-C944 HydrophobicContact CB-CB 3.93Å; C914-C944 PolarHBondContact SG-N 2.96Å; C914-C944 VanDerWaalsContact SG-N 3.37Å; C914-C944 VanDerWaalsContact SG-SG 3.64Å; C917-C944 VanDerWaalsContact SG-SG 3.68Å; Y942-C944 HydrophobicContact CE1-CB 3.76Å; Y942-C944 WeakPolarHBondContact OH-CA 3.26Å; C944-L946 VanDerWaalsContact C-N 3.3Å; C944-L946 PolarHBondContact O-N 3.17Å; C944-C947 PolarHBondContact O-N 3.14Å; C944-R948 PolarHBondContact O-N 2.99Å; C944-R948 VanDerWaalsContact O-N 3.14Å
945	L	92.4	Very high	92	Very high	45.75 Å²	45.75	55.5 Å²	55.5	24%	0.24	31%	0.312	C	S	.	.	H	α-helix	trans	-50.6	-48.5	-179.6	-79.5	170.9	0	0	0	112	I900 C925 D926 C947 R948 E949	I900-L945 HydrophobicContact CD1-CB 4.22Å; I900-L945 HydrophobicContact CD1-CD1 4.2Å; I900-L945 HydrophobicContact CD1-CG 4.47Å; I900-L945 HydrophobicContact CG1-CB 4.47Å; I900-L945 HydrophobicContact CG2-CD1 3.98Å; C925-L945 WeakPolarHBondContact O-CD1 3.33Å; D926-L945 HydrophobicContact CB-CD1 4.3Å; D926-L945 HydrophobicContact CB-CG 4.44Å; D926-L945 WeakPolarHBondContact OD1-CD2 3.31Å; D926-L945 WeakPolarHBondContact OD1-CG 3.44Å; L945-C947 VanDerWaalsContact C-N 3.33Å; L945-C947 PolarHBondContact O-N 3.1Å; L945-C947 VanDerWaalsContact O-N 3.14Å; L945-R948 VanDerWaalsContact N-NH2 3.12Å; L945-R948 CarbonylContact O-C 3.12Å; L945-R948 WeakPolarHBondContact O-CA 3.49Å; L945-R948 PolarHBondContact O-N 2.98Å; L945-R948 VanDerWaalsContact O-N 3.16Å; L945-E949 VanDerWaalsContact C-OE1 3.29Å; L945-E949 WeakPolarHBondContact CB-OE1 3.37Å; L945-E949 WeakPolarHBondContact O-CB 3.3Å; L945-E949 VanDerWaalsContact O-CG 3.31Å; L945-E949 WeakPolarHBondContact O-CG 3.38Å; L945-E949 PolarHBondContact O-N 3.09Å
946	L	93.4	Very high	91.9	Very high	42 Å²	42	55.1 Å²	55.1	22%	0.22	32%	0.316	C	S	.	.	H	α-helix	trans	-60.3	-23.4	179.3	-56.9	178.7	0	0	0	114.6	P899 I900 C944 E949 L950	P899-L946 HydrophobicContact CB-CD1 3.88Å; P899-L946 HydrophobicContact CG-CD1 4.1Å; I900-L946 HydrophobicContact CG1-CG 4.4Å; C944-L946 VanDerWaalsContact C-N 3.3Å; C944-L946 PolarHBondContact O-N 3.17Å; L946-E949 WeakPolarHBondContact CD2-OE2 3.36Å; L946-L950 WeakPolarHBondContact O-CD1 3.33Å; L946-L950 WeakPolarHBondContact O-CG 3.4Å
947	C	94.2	Very high	91.9	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.007	30%	0.303	C	S	.	.	H	α-helix	trans	-84.9	-38.9	172.8	-68.3	0	0	0	0	111.6	C914 L916 C917 C944 L945 L950 G951 A952	C914-C947 VanDerWaalsContact SG-SG 3.65Å; L916-C947 HydrophobicContact CD1-CB 4.3Å; C917-C947 PolarHBondContact SG-SG 3.16Å; C944-C947 PolarHBondContact O-N 3.14Å; L945-C947 VanDerWaalsContact C-N 3.33Å; L945-C947 PolarHBondContact O-N 3.1Å; L945-C947 VanDerWaalsContact O-N 3.14Å; C947-L950 CarbonylContact O-C 3.49Å; C947-L950 WeakPolarHBondContact O-CA 3.44Å; C947-L950 PolarHBondContact O-N 3.09Å; C947-L950 VanDerWaalsContact O-N 3.11Å; C947-G951 PolarHBondContact O-N 3.03Å; C947-A952 HydrophobicContact CB-CB 4Å; C947-A952 VanDerWaalsContact O-CB 3.27Å; C947-A952 WeakPolarHBondContact O-CB 3.3Å; C947-A952 PolarHBondContact O-N 3.24Å
948	R	92.6	Very high	91.9	Very high	52.75 Å²	52.75	52.7 Å²	52.7	20%	0.199	30%	0.304	C	S	.	.	H	α-helix	trans	-66.4	-38.5	175.7	-80	172.7	-71.5	159.7	3.2	112.6	D926 N943 C944 L945 L950 G951 A952 D953 H958	D926-R948 IonicContact OD1-CZ 3.52Å; D926-R948 VanDerWaalsContact OD1-CZ 3.29Å; D926-R948 IonicContact OD1-NH1 3.54Å; D926-R948 PolarHBondContact OD1-NH1 2.85Å; D926-R948 IonicContact OD1-NH2 2.89Å; D926-R948 PolarHBondContact OD1-NH2 3.14Å; D926-R948 VanDerWaalsContact OD1-NH2 3.07Å; D926-R948 IonicContact OD2-CZ 2.84Å; D926-R948 VanDerWaalsContact OD2-CZ 3.28Å; D926-R948 IonicContact OD2-NH1 3.18Å; D926-R948 PolarHBondContact OD2-NH1 3.12Å; D926-R948 IonicContact OD2-NH2 3.07Å; D926-R948 PolarHBondContact OD2-NH2 3.23Å; N943-R948 HydrophobicContact CB-CG 4.22Å; N943-R948 VanDerWaalsContact O-CD 3.32Å; N943-R948 WeakPolarHBondContact O-CD 3.44Å; N943-R948 VanDerWaalsContact O-CZ 3.24Å; N943-R948 PolarHBondContact O-NE 3.17Å; N943-R948 PolarHBondContact O-NH2 2.99Å; C944-R948 PolarHBondContact O-N 2.99Å; C944-R948 VanDerWaalsContact O-N 3.14Å; L945-R948 VanDerWaalsContact N-NH2 3.12Å; L945-R948 CarbonylContact O-C 3.12Å; L945-R948 WeakPolarHBondContact O-CA 3.49Å; L945-R948 PolarHBondContact O-N 2.98Å; L945-R948 VanDerWaalsContact O-N 3.16Å; R948-L950 PolarHBondContact O-N 3.12Å; R948-G951 PolarHBondContact O-N 3.31Å; R948-A952 WeakPolarHBondContact CA-O 3.34Å; R948-A952 VanDerWaalsContact CG-O 3.27Å; R948-A952 WeakPolarHBondContact CG-O 3.44Å; R948-D953 WeakPolarHBondContact CG-O 3.15Å; R948-H958 PolarHBondContact NH1-ND1 2.99Å; R948-H958 VanDerWaalsContact NH1-ND1 3.16Å
949	E	90.2	Very high	91.8	Very high	133 Å²	133	51.4 Å²	51.4	62%	0.621	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26	171	-73.8	165.7	-156.3	0	0	112.8	L945 L946 G951	L945-E949 VanDerWaalsContact C-OE1 3.29Å; L945-E949 WeakPolarHBondContact CB-OE1 3.37Å; L945-E949 WeakPolarHBondContact O-CB 3.3Å; L945-E949 VanDerWaalsContact O-CG 3.31Å; L945-E949 WeakPolarHBondContact O-CG 3.38Å; L945-E949 PolarHBondContact O-N 3.09Å; L946-E949 WeakPolarHBondContact CD2-OE2 3.36Å; E949-G951 VanDerWaalsContact C-N 3.34Å
950	L	90.1	Very high	91.7	Very high	116.25 Å²	116.25	48.8 Å²	48.8	61%	0.609	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	15.3	176.3	-64.5	173.2	0	0	0	113	N879 L946 C947 R948	N879-L950 HydrophobicContact CB-CD1 3.6Å; N879-L950 VanDerWaalsContact CG-CD1 3.45Å; N879-L950 WeakPolarHBondContact ND2-CD1 3.41Å; L946-L950 WeakPolarHBondContact O-CD1 3.33Å; L946-L950 WeakPolarHBondContact O-CG 3.4Å; C947-L950 CarbonylContact O-C 3.49Å; C947-L950 WeakPolarHBondContact O-CA 3.44Å; C947-L950 PolarHBondContact O-N 3.09Å; C947-L950 VanDerWaalsContact O-N 3.11Å; R948-L950 PolarHBondContact O-N 3.12Å
951	G	89.2	Confident	91.6	Very high	68.25 Å²	68.25	45.1 Å²	45.1	70%	0.704	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	11.4	171.7	0	0	0	0	0	116.1	C947 R948 E949	C947-G951 PolarHBondContact O-N 3.03Å; R948-G951 PolarHBondContact O-N 3.31Å; E949-G951 VanDerWaalsContact C-N 3.34Å
952	A	90.5	Very high	91.4	Very high	28.5 Å²	28.5	46.4 Å²	46.4	24%	0.236	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-73	146.6	167.8	0	0	0	0	0	111.4	L916 C947 R948	L916-A952 HydrophobicContact CD1-CB 3.51Å; L916-A952 VanDerWaalsContact CD1-CB 3.48Å; C947-A952 HydrophobicContact CB-CB 4Å; C947-A952 VanDerWaalsContact O-CB 3.27Å; C947-A952 WeakPolarHBondContact O-CB 3.3Å; C947-A952 PolarHBondContact O-N 3.24Å; R948-A952 WeakPolarHBondContact CA-O 3.34Å; R948-A952 VanDerWaalsContact CG-O 3.27Å; R948-A952 WeakPolarHBondContact CG-O 3.44Å
953	D	91.1	Very high	91	Very high	130.75 Å²	130.75	48.4 Å²	48.4	70%	0.699	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-63.7	157.5	173	-47	-49.6	0	0	0	112.2	N943 R948 G955	N943-D953 VanDerWaalsContact CB-O 3.29Å; N943-D953 WeakPolarHBondContact CB-O 3.44Å; N943-D953 PolarHBondContact ND2-O 3.2Å; N943-D953 PolarHBondContact ND2-OD1 2.99Å; R948-D953 WeakPolarHBondContact CG-O 3.15Å; D953-G955 PolarHBondContact O-N 3.06Å
954	I	91.3	Very high	90.6	Very high	65 Å²	65	52.5 Å²	52.5	33%	0.333	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-69.3	126.7	167.8	-175.3	165.5	0	0	0	109.4	T956 H958 A959 L962	I954-T956 PolarHBondContact O-N 3.4Å; I954-H958 HydrophobicContact CD1-CB 4.36Å; I954-H958 HydrophobicContact CG1-CB 4.23Å; I954-A959 HydrophobicContact CG1-CB 4.42Å; I954-A959 HydrophobicContact CG2-CB 4.13Å; I954-L962 HydrophobicContact CD1-CD1 3.56Å; I954-L962 HydrophobicContact CD1-CG 4.5Å
955	G	90.3	Very high	90	Very high	5.25 Å²	5.25	54.5 Å²	54.5	5%	0.054	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-58.8	139.3	179.3	0	0	0	0	0	111.4	G941 D953 G957 H958 A959	G941-G955 CarbonylContact O-C 3.44Å; G941-G955 WeakPolarHBondContact O-CA 3.4Å; D953-G955 PolarHBondContact O-N 3.06Å; G955-G957 VanDerWaalsContact C-N 3.27Å; G955-G957 PolarHBondContact O-N 3.23Å; G955-G957 VanDerWaalsContact O-N 3.11Å; G955-H958 PolarHBondContact O-N 3.1Å; G955-A959 PolarHBondContact O-N 3.08Å
956	T	91.3	Very high	89.4	Confident	94.5 Å²	94.5	58.9 Å²	58.9	58%	0.58	32%	0.324	S	S	*	.	H	α-helix	trans	-61.1	-32.9	-164.9	49.3	0	0	0	0	113.3	L940 G941 I954 A959 Q960	L940-T956 WeakPolarHBondContact O-CB 3.34Å; L940-T956 PolarHBondContact O-N 2.81Å; L940-T956 PolarHBondContact O-OG1 3Å; G941-T956 PolarHBondContact O-N 3.16Å; I954-T956 PolarHBondContact O-N 3.4Å; T956-A959 WeakPolarHBondContact O-CB 3.35Å; T956-A959 PolarHBondContact O-N 3.28Å; T956-Q960 PolarHBondContact O-N 3.05Å
957	G	90.3	Very high	88.6	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-47.2	172.9	0	0	0	0	0	113.5	I936 L940 G941 G955 A959 Q960 V961	I936-G957 VanDerWaalsContact O-CA 3.24Å; I936-G957 WeakPolarHBondContact O-CA 3.39Å; L940-G957 VanDerWaalsContact CB-CA 3.49Å; L940-G957 PolarHBondContact O-N 3.01Å; L940-G957 VanDerWaalsContact O-N 3.1Å; G941-G957 PolarHBondContact O-N 3.12Å; G955-G957 VanDerWaalsContact C-N 3.27Å; G955-G957 PolarHBondContact O-N 3.23Å; G955-G957 VanDerWaalsContact O-N 3.11Å; G957-A959 VanDerWaalsContact C-N 3.32Å; G957-A959 PolarHBondContact O-N 2.95Å; G957-Q960 WeakPolarHBondContact O-CB 3.38Å; G957-Q960 PolarHBondContact O-N 3.16Å; G957-Q960 VanDerWaalsContact O-N 3.14Å; G957-V961 WeakPolarHBondContact O-CG2 3.41Å; G957-V961 PolarHBondContact O-N 3.23Å
958	H	92	Very high	87.4	Confident	2.75 Å²	2.75	61.3 Å²	61.3	1%	0.013	35%	0.35	C	S	.	.	H	α-helix	trans	-67.5	-35.1	176.2	-170.5	-169.6	0	0	0	111.2	D926 A937 Y942 R948 I954 G955 Q960 V961 L962	D926-H958 PolarHBondContact O-CE1 3.17Å; D926-H958 VanDerWaalsContact O-CE1 3.26Å; D926-H958 PolarHBondContact O-NE2 3.2Å; D926-H958 IonicContact OD1-CE1 3.21Å; D926-H958 PolarHBondContact OD1-CE1 3.43Å; D926-H958 IonicContact OD1-ND1 3.62Å; D926-H958 IonicContact OD2-CE1 3.19Å; D926-H958 PolarHBondContact OD2-CE1 3.23Å; D926-H958 VanDerWaalsContact OD2-CE1 3.23Å; D926-H958 IonicContact OD2-CG 3.28Å; D926-H958 IonicContact OD2-ND1 3.14Å; D926-H958 PolarHBondContact OD2-ND1 3.25Å; A937-H958 HydrophobicContact CB-CB 4.38Å; Y942-H958 HydrophobicContact CD2-CB 4.22Å; Y942-H958 AromaticContact CE2-ND1 3.65Å; R948-H958 PolarHBondContact NH1-ND1 2.99Å; R948-H958 VanDerWaalsContact NH1-ND1 3.16Å; I954-H958 HydrophobicContact CD1-CB 4.36Å; I954-H958 HydrophobicContact CG1-CB 4.23Å; G955-H958 PolarHBondContact O-N 3.1Å; H958-Q960 VanDerWaalsContact C-N 3.29Å; H958-Q960 PolarHBondContact O-N 3.15Å; H958-V961 PolarHBondContact O-N 3.19Å; H958-L962 WeakPolarHBondContact NE2-CD2 3.33Å; H958-L962 WeakPolarHBondContact O-CG 3.39Å; H958-L962 PolarHBondContact O-N 3.23Å
959	A	91.3	Very high	85.8	Confident	38.25 Å²	38.25	66 Å²	66	32%	0.316	38%	0.379	S	S	.	.	H	α-helix	trans	-58.1	-41.5	171.5	0	0	0	0	0	112	I954 G955 T956 G957 L962 A963	I954-A959 HydrophobicContact CG1-CB 4.42Å; I954-A959 HydrophobicContact CG2-CB 4.13Å; G955-A959 PolarHBondContact O-N 3.08Å; T956-A959 WeakPolarHBondContact O-CB 3.35Å; T956-A959 PolarHBondContact O-N 3.28Å; G957-A959 VanDerWaalsContact C-N 3.32Å; G957-A959 PolarHBondContact O-N 2.95Å; A959-L962 PolarHBondContact O-N 2.93Å; A959-A963 WeakPolarHBondContact O-CB 3.4Å; A959-A963 PolarHBondContact O-N 3.11Å
960	Q	89.7	Confident	83.6	Confident	71 Å²	71	62.2 Å²	62.2	33%	0.332	38%	0.375	S	S	.	.	H	α-helix	trans	-67.3	-41	176.2	-167.5	179	4.2	0	0	112.7	I936 T956 G957 H958 L962 A963 Y964	I936-Q960 HydrophobicContact CG2-CB 4.37Å; T956-Q960 PolarHBondContact O-N 3.05Å; G957-Q960 WeakPolarHBondContact O-CB 3.38Å; G957-Q960 PolarHBondContact O-N 3.16Å; G957-Q960 VanDerWaalsContact O-N 3.14Å; H958-Q960 VanDerWaalsContact C-N 3.29Å; H958-Q960 PolarHBondContact O-N 3.15Å; Q960-L962 VanDerWaalsContact C-N 3.33Å; Q960-L962 PolarHBondContact O-N 2.97Å; Q960-A963 WeakPolarHBondContact O-CB 3.34Å; Q960-A963 PolarHBondContact O-N 3.13Å; Q960-A963 VanDerWaalsContact O-N 3.15Å; Q960-Y964 HydrophobicContact CG-CD2 3.95Å; Q960-Y964 HydrophobicContact CG-CE2 3.59Å; Q960-Y964 PolarHBondContact NE2-OH 3.38Å; Q960-Y964 VanDerWaalsContact NE2-OH 3.07Å; Q960-Y964 WeakPolarHBondContact O-CB 3.26Å; Q960-Y964 WeakPolarHBondContact O-CD2 3.22Å; Q960-Y964 PolarHBondContact O-N 3.22Å
961	V	89.2	Confident	81.3	Confident	3.75 Å²	3.75	62.7 Å²	62.7	2%	0.023	38%	0.379	C	S	.	.	H	α-helix	trans	-59.6	-43.4	174	168.1	0	0	0	0	111.6	L928 E933 I936 G957 H958 A963 Y964 R965	L928-V961 HydrophobicContact CD2-CB 4.32Å; L928-V961 HydrophobicContact CD2-CG1 3.9Å; L928-V961 HydrophobicContact CD2-CG2 4.34Å; E933-V961 HydrophobicContact CB-CG1 3.99Å; E933-V961 HydrophobicContact CB-CG2 4.12Å; E933-V961 HydrophobicContact CG-CG1 3.79Å; E933-V961 HydrophobicContact CG-CG2 4.39Å; E933-V961 WeakPolarHBondContact O-CG2 3.32Å; I936-V961 HydrophobicContact CB-CG2 4.03Å; I936-V961 HydrophobicContact CG2-CG2 3.87Å; G957-V961 WeakPolarHBondContact O-CG2 3.41Å; G957-V961 PolarHBondContact O-N 3.23Å; H958-V961 PolarHBondContact O-N 3.19Å; V961-A963 VanDerWaalsContact C-N 3.33Å; V961-A963 PolarHBondContact O-N 2.91Å; V961-Y964 PolarHBondContact O-N 3.13Å; V961-R965 WeakPolarHBondContact O-CG 3.27Å; V961-R965 PolarHBondContact O-N 2.92Å; V961-R965 VanDerWaalsContact O-N 3.11Å
962	L	88	Confident	78.9	Confident	51.5 Å²	51.5	66.3 Å²	66.3	27%	0.27	38%	0.381	S	S	.	.	H	α-helix	trans	-65.6	-38.1	175.9	-66.3	179.5	0	0	0	112	I954 H958 A959 Q960 Y964 R965 Q966	I954-L962 HydrophobicContact CD1-CD1 3.56Å; I954-L962 HydrophobicContact CD1-CG 4.5Å; H958-L962 WeakPolarHBondContact NE2-CD2 3.33Å; H958-L962 WeakPolarHBondContact O-CG 3.39Å; H958-L962 PolarHBondContact O-N 3.23Å; A959-L962 PolarHBondContact O-N 2.93Å; Q960-L962 VanDerWaalsContact C-N 3.33Å; Q960-L962 PolarHBondContact O-N 2.97Å; L962-Y964 VanDerWaalsContact C-N 3.35Å; L962-Y964 PolarHBondContact O-N 3.37Å; L962-R965 PolarHBondContact O-N 3.35Å; L962-Q966 VanDerWaalsContact O-CG 3.27Å; L962-Q966 WeakPolarHBondContact O-CG 3.39Å; L962-Q966 PolarHBondContact O-N 3.25Å; L962-Q966 VanDerWaalsContact O-N 3.11Å; L962-Q966 PolarHBondContact O-NE2 2.86Å
963	A	86.5	Confident	76.5	Confident	43 Å²	43	67.2 Å²	67.2	36%	0.355	39%	0.393	S	S	.	.	H	α-helix	trans	-65.5	-42.8	174.9	0	0	0	0	0	112.5	A959 Q960 V961 R965 Q966 A967 L978	A959-A963 WeakPolarHBondContact O-CB 3.4Å; A959-A963 PolarHBondContact O-N 3.11Å; Q960-A963 WeakPolarHBondContact O-CB 3.34Å; Q960-A963 PolarHBondContact O-N 3.13Å; Q960-A963 VanDerWaalsContact O-N 3.15Å; V961-A963 VanDerWaalsContact C-N 3.33Å; V961-A963 PolarHBondContact O-N 2.91Å; A963-R965 VanDerWaalsContact C-N 3.32Å; A963-R965 PolarHBondContact O-N 3.12Å; A963-Q966 WeakPolarHBondContact O-CB 3.48Å; A963-Q966 PolarHBondContact O-N 3.08Å; A963-Q966 VanDerWaalsContact O-N 3.13Å; A963-A967 PolarHBondContact O-N 3.12Å; A963-L978 HydrophobicContact CB-CD1 3.43Å; A963-L978 VanDerWaalsContact CB-CD1 3.43Å
964	Y	85.5	Confident	74.3	Confident	106.5 Å²	106.5	63.3 Å²	63.3	42%	0.418	38%	0.379	S	S	.	.	H	α-helix	trans	-60.1	-42	176	-127.8	-80.6	0	0	0	111.9	I936 Q960 V961 L962 Q966 A967 A968 L975	I936-Y964 HydrophobicContact CD1-CE2 4.43Å; Q960-Y964 HydrophobicContact CG-CD2 3.95Å; Q960-Y964 HydrophobicContact CG-CE2 3.59Å; Q960-Y964 PolarHBondContact NE2-OH 3.38Å; Q960-Y964 VanDerWaalsContact NE2-OH 3.07Å; Q960-Y964 WeakPolarHBondContact O-CB 3.26Å; Q960-Y964 WeakPolarHBondContact O-CD2 3.22Å; Q960-Y964 PolarHBondContact O-N 3.22Å; V961-Y964 PolarHBondContact O-N 3.13Å; L962-Y964 VanDerWaalsContact C-N 3.35Å; L962-Y964 PolarHBondContact O-N 3.37Å; Y964-Q966 PolarHBondContact O-N 3.42Å; Y964-A967 PolarHBondContact O-N 3.17Å; Y964-A968 WeakPolarHBondContact O-CB 3.34Å; Y964-A968 PolarHBondContact O-N 3.05Å; Y964-L975 HydrophobicContact CD1-CD2 4.34Å; Y964-L975 HydrophobicContact CE2-CD1 4.15Å; Y964-L975 HydrophobicContact CE2-CD2 4.48Å; Y964-L975 WeakPolarHBondContact OH-CD2 3.48Å
965	R	80.5	Confident	72.1	Confident	44.75 Å²	44.75	63.4 Å²	63.4	17%	0.169	38%	0.38	C	S	.	.	H	α-helix	trans	-65.8	-38.1	174.4	-72.5	169.6	167.5	-174	-5.1	113.6	Q927 R929 E933 V961 L962 A963 A967 A968 N969	Q927-R965 PolarHBondContact O-NH1 2.98Å; Q927-R965 PolarHBondContact O-NH2 3.24Å; R929-R965 VanDerWaalsContact NH1-NH1 3.17Å; E933-R965 IonicContact OE1-CZ 3.36Å; E933-R965 IonicContact OE1-NE 3.17Å; E933-R965 PolarHBondContact OE1-NE 3.2Å; E933-R965 IonicContact OE1-NH2 3.22Å; E933-R965 PolarHBondContact OE1-NH2 3.03Å; E933-R965 IonicContact OE2-CZ 3.31Å; E933-R965 IonicContact OE2-NE 2.9Å; E933-R965 IonicContact OE2-NH2 2.7Å; E933-R965 PolarHBondContact OE2-NH2 2.98Å; V961-R965 WeakPolarHBondContact O-CG 3.27Å; V961-R965 PolarHBondContact O-N 2.92Å; V961-R965 VanDerWaalsContact O-N 3.11Å; L962-R965 PolarHBondContact O-N 3.35Å; A963-R965 VanDerWaalsContact C-N 3.32Å; A963-R965 PolarHBondContact O-N 3.12Å; R965-A967 VanDerWaalsContact C-N 3.3Å; R965-A967 PolarHBondContact O-N 3.21Å; R965-A968 PolarHBondContact O-N 2.95Å; R965-N969 WeakPolarHBondContact O-CB 3.32Å; R965-N969 PolarHBondContact O-N 3Å; R965-N969 VanDerWaalsContact O-N 3.1Å
966	Q	79.2	Confident	69.7	Low	138.25 Å²	138.25	71.3 Å²	71.3	65%	0.646	42%	0.416	S	S	*	.	H	α-helix	trans	-63.4	-38.2	174.6	-73.6	170.2	26.7	0	0	111.4	L962 A963 Y964 G970 N971 A974	L962-Q966 VanDerWaalsContact O-CG 3.27Å; L962-Q966 WeakPolarHBondContact O-CG 3.39Å; L962-Q966 PolarHBondContact O-N 3.25Å; L962-Q966 VanDerWaalsContact O-N 3.11Å; L962-Q966 PolarHBondContact O-NE2 2.86Å; A963-Q966 WeakPolarHBondContact O-CB 3.48Å; A963-Q966 PolarHBondContact O-N 3.08Å; A963-Q966 VanDerWaalsContact O-N 3.13Å; Y964-Q966 PolarHBondContact O-N 3.42Å; Q966-G970 PolarHBondContact O-N 3.18Å; Q966-N971 WeakPolarHBondContact O-CB 3.41Å; Q966-A974 HydrophobicContact CB-CB 4.29Å
967	A	77.6	Confident	67.4	Low	36.25 Å²	36.25	73.6 Å²	73.6	30%	0.3	42%	0.424	S	S	.	.	H	α-helix	trans	-69	-42	172.7	0	0	0	0	0	112.7	A963 Y964 R965 N969 G970 L975	A963-A967 PolarHBondContact O-N 3.12Å; Y964-A967 PolarHBondContact O-N 3.17Å; R965-A967 VanDerWaalsContact C-N 3.3Å; R965-A967 PolarHBondContact O-N 3.21Å; A967-N969 VanDerWaalsContact C-N 3.34Å; A967-N969 PolarHBondContact O-N 3.25Å; A967-G970 CarbonylContact O-C 3.59Å; A967-G970 WeakPolarHBondContact O-CA 3Å; A967-G970 PolarHBondContact O-N 3.05Å; A967-L975 HydrophobicContact CB-CB 4.37Å; A967-L975 HydrophobicContact CB-CD1 4.07Å; A967-L975 HydrophobicContact CB-CG 4.32Å
968	A	68.1	Low	65.1	Low	56.75 Å²	56.75	77.7 Å²	77.7	47%	0.469	45%	0.446	S	S	.	.	H	α-helix	trans	-64.5	-36.5	-179.1	0	0	0	0	0	113.4	Y964 R965 G970 L975	Y964-A968 WeakPolarHBondContact O-CB 3.34Å; Y964-A968 PolarHBondContact O-N 3.05Å; R965-A968 PolarHBondContact O-N 2.95Å; A968-G970 PolarHBondContact O-N 2.98Å; A968-G970 VanDerWaalsContact O-N 3.14Å; A968-L975 HydrophobicContact CB-CD1 3.97Å
969	N	59.3	Low	62.5	Low	151.5 Å²	151.5	86 Å²	86	81%	0.81	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	0.9	173.9	-76.2	-11.6	0	0	0	113.5	R965 A967 N971	R965-N969 WeakPolarHBondContact O-CB 3.32Å; R965-N969 PolarHBondContact O-N 3Å; R965-N969 VanDerWaalsContact O-N 3.1Å; A967-N969 VanDerWaalsContact C-N 3.34Å; A967-N969 PolarHBondContact O-N 3.25Å; N969-N971 PolarHBondContact O-N 3.42Å; N969-N971 VanDerWaalsContact O-N 3.14Å
970	G	44.9	Very low	59.8	Low	53.25 Å²	53.25	91.7 Å²	91.7	55%	0.549	50%	0.5	S	S	.	.	S	Bend	trans	-95.8	36.4	-179.1	0	0	0	0	0	114.3	Q966 A967 A968 L972	Q966-G970 PolarHBondContact O-N 3.18Å; A967-G970 CarbonylContact O-C 3.59Å; A967-G970 WeakPolarHBondContact O-CA 3Å; A967-G970 PolarHBondContact O-N 3.05Å; A968-G970 PolarHBondContact O-N 2.98Å; A968-G970 VanDerWaalsContact O-N 3.14Å; G970-L972 VanDerWaalsContact C-N 3.27Å; G970-L972 PolarHBondContact O-N 3.12Å
971	N	41.9	Very low	57.3	Low	127.5 Å²	127.5	91.3 Å²	91.3	68%	0.682	52%	0.515	S	S	*	.			trans	-62.9	93.3	179.8	-168.9	17.7	0	0	0	113.8	Q966 N969 G973 A974	Q966-N971 WeakPolarHBondContact O-CB 3.41Å; N969-N971 PolarHBondContact O-N 3.42Å; N969-N971 VanDerWaalsContact O-N 3.14Å; N971-G973 VanDerWaalsContact C-N 3.26Å; N971-G973 PolarHBondContact O-N 3.09Å; N971-A974 WeakPolarHBondContact O-CB 3.02Å; N971-A974 PolarHBondContact O-N 2.87Å; N971-A974 VanDerWaalsContact O-N 3.12Å
972	L	38.8	Very low	54.7	Low	142.75 Å²	142.75	98.4 Å²	98.4	75%	0.747	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-58.1	-10.6	-169.2	-161	71.4	0	0	0	114.8	G970 A974 L975	G970-L972 VanDerWaalsContact C-N 3.27Å; G970-L972 PolarHBondContact O-N 3.12Å; L972-A974 VanDerWaalsContact C-N 3.29Å; L972-A974 PolarHBondContact O-N 3.09Å; L972-A974 VanDerWaalsContact O-N 3.11Å; L972-L975 PolarHBondContact O-N 2.9Å; L972-L975 VanDerWaalsContact O-N 3.08Å
973	G	39	Very low	52.4	Low	47.75 Å²	47.75	100 Å²	100	49%	0.492	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-87.4	-6.2	179.8	0	0	0	0	0	115.6	N971 N977	N971-G973 VanDerWaalsContact C-N 3.26Å; N971-G973 PolarHBondContact O-N 3.09Å; G973-N977 PolarHBondContact O-ND2 2.75Å
974	A	45.5	Very low	50.2	Low	49.75 Å²	49.75	103 Å²	103	41%	0.411	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-83.2	-28.1	175.1	0	0	0	0	0	113.3	Q966 N971 L972 E976 N977	Q966-A974 HydrophobicContact CB-CB 4.29Å; N971-A974 WeakPolarHBondContact O-CB 3.02Å; N971-A974 PolarHBondContact O-N 2.87Å; N971-A974 VanDerWaalsContact O-N 3.12Å; L972-A974 VanDerWaalsContact C-N 3.29Å; L972-A974 PolarHBondContact O-N 3.09Å; L972-A974 VanDerWaalsContact O-N 3.11Å; A974-E976 PolarHBondContact O-N 3.33Å; A974-N977 PolarHBondContact O-N 2.88Å
975	L	44.3	Very low	48	Very low	67.25 Å²	67.25	106 Å²	106	35%	0.352	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	-27.5	-169.5	-132.9	123.3	0	0	0	113.7	Y964 A967 A968 L972 N977 L978	Y964-L975 HydrophobicContact CD1-CD2 4.34Å; Y964-L975 HydrophobicContact CE2-CD1 4.15Å; Y964-L975 HydrophobicContact CE2-CD2 4.48Å; Y964-L975 WeakPolarHBondContact OH-CD2 3.48Å; A967-L975 HydrophobicContact CB-CB 4.37Å; A967-L975 HydrophobicContact CB-CD1 4.07Å; A967-L975 HydrophobicContact CB-CG 4.32Å; A968-L975 HydrophobicContact CB-CD1 3.97Å; L972-L975 PolarHBondContact O-N 2.9Å; L972-L975 VanDerWaalsContact O-N 3.08Å; L975-N977 PolarHBondContact O-N 2.97Å; L975-N977 VanDerWaalsContact O-N 3.16Å; L975-L978 HydrophobicContact CD2-CB 4.24Å; L975-L978 HydrophobicContact CD2-CD1 4.27Å; L975-L978 HydrophobicContact CG-CD1 4.37Å; L975-L978 PolarHBondContact O-N 2.98Å
976	E	41.5	Very low	45.9	Very low	170.25 Å²	170.25	109.8 Å²	109.8	80%	0.796	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-16	179.9	-65.5	-169	124.3	0	0	114	A974	A974-E976 PolarHBondContact O-N 3.33Å
977	N	42.1	Very low	44.1	Very low	142 Å²	142	109.2 Å²	109.2	76%	0.759	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-93.2	-8.9	175.5	-69.2	-75.7	0	0	0	113.4	G973 A974 L975 K979	G973-N977 PolarHBondContact O-ND2 2.75Å; A974-N977 PolarHBondContact O-N 2.88Å; L975-N977 PolarHBondContact O-N 2.97Å; L975-N977 VanDerWaalsContact O-N 3.16Å; N977-K979 VanDerWaalsContact C-N 3.29Å; N977-K979 PolarHBondContact O-N 3.12Å; N977-K979 VanDerWaalsContact O-N 3.13Å
978	L	42.3	Very low	42.2	Very low	87 Å²	87	116.9 Å²	116.9	46%	0.455	64%	0.639	S	S	.	*			trans	-92.5	65.6	178.2	-76	166.5	0	0	0	111.1	A963 L975 F980 I983	A963-L978 HydrophobicContact CB-CD1 3.43Å; A963-L978 VanDerWaalsContact CB-CD1 3.43Å; L975-L978 HydrophobicContact CD2-CB 4.24Å; L975-L978 HydrophobicContact CD2-CD1 4.27Å; L975-L978 HydrophobicContact CG-CD1 4.37Å; L975-L978 PolarHBondContact O-N 2.98Å; L978-F980 HydrophobicContact CB-CD2 4.47Å; L978-F980 HydrophobicContact CD2-CD2 3.91Å; L978-F980 HydrophobicContact CD2-CE2 3.76Å; L978-F980 PolarHBondContact O-N 3.13Å; L978-I983 HydrophobicContact CD2-CD1 3.85Å
979	K	36.9	Very low	40.7	Very low	176.25 Å²	176.25	117.7 Å²	117.7	77%	0.766	65%	0.645	S	S	*	*			trans	-73.9	94.6	178.7	-163.1	177.9	-178.1	178.8	0	111.2	N977 G981 E982	N977-K979 VanDerWaalsContact C-N 3.29Å; N977-K979 PolarHBondContact O-N 3.12Å; N977-K979 VanDerWaalsContact O-N 3.13Å; K979-G981 PolarHBondContact O-N 2.95Å; K979-G981 VanDerWaalsContact O-N 3.15Å; K979-E982 PolarHBondContact O-N 3.05Å
980	F	35.7	Very low	39.6	Very low	158 Å²	158	117.5 Å²	117.5	69%	0.693	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-36.9	31.6	179.9	-114.2	-101.1	0	0	0	116.3	D932 I936 L978 E982 I983	D932-F980 HydrophobicContact CB-CE1 3.8Å; D932-F980 HydrophobicContact CB-CZ 3.55Å; I936-F980 HydrophobicContact CD1-CZ 4.47Å; L978-F980 HydrophobicContact CB-CD2 4.47Å; L978-F980 HydrophobicContact CD2-CD2 3.91Å; L978-F980 HydrophobicContact CD2-CE2 3.76Å; L978-F980 PolarHBondContact O-N 3.13Å; F980-E982 VanDerWaalsContact C-N 3.31Å; F980-E982 PolarHBondContact O-N 3.42Å; F980-I983 HydrophobicContact CD1-CB 4.27Å; F980-I983 HydrophobicContact CD1-CD1 3.97Å; F980-I983 HydrophobicContact CE1-CB 4.38Å; F980-I983 HydrophobicContact CE1-CD1 3.62Å; F980-I983 HydrophobicContact CE1-CG2 4.35Å; F980-I983 HydrophobicContact CZ-CD1 4.09Å
981	G	35.8	Very low	39.2	Very low	63.75 Å²	63.75	123.6 Å²	123.6	66%	0.657	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.6	-5.4	-179.9	0	0	0	0	0	116.2	K979	K979-G981 PolarHBondContact O-N 2.95Å; K979-G981 VanDerWaalsContact O-N 3.15Å
982	E	36.4	Very low	38.7	Very low	153.25 Å²	153.25	124.4 Å²	124.4	72%	0.716	66%	0.659	S	S	*	*	S	Bend	trans	-123.3	13.1	-165.7	-152.1	163.7	-164.1	0	0	114.1	K979 F980 N986	K979-E982 PolarHBondContact O-N 3.05Å; F980-E982 VanDerWaalsContact C-N 3.31Å; F980-E982 PolarHBondContact O-N 3.42Å; E982-N986 PolarHBondContact O-ND2 3.14Å
983	I	39.3	Very low	38.5	Very low	85 Å²	85	122.8 Å²	122.8	44%	0.436	66%	0.657	S	S	.	*	S	Bend	trans	-109.2	-11.3	177.8	-57.7	175.7	0	0	0	111.7	L978 F980 E985 N986 L987	L978-I983 HydrophobicContact CD2-CD1 3.85Å; F980-I983 HydrophobicContact CD1-CB 4.27Å; F980-I983 HydrophobicContact CD1-CD1 3.97Å; F980-I983 HydrophobicContact CE1-CB 4.38Å; F980-I983 HydrophobicContact CE1-CD1 3.62Å; F980-I983 HydrophobicContact CE1-CG2 4.35Å; F980-I983 HydrophobicContact CZ-CD1 4.09Å; I983-E985 VanDerWaalsContact C-N 3.28Å; I983-E985 PolarHBondContact O-N 3.19Å; I983-N986 PolarHBondContact O-N 3.08Å; I983-L987 HydrophobicContact CG2-CD1 4.1Å; I983-L987 HydrophobicContact CG2-CG 4.15Å
984	T	40.1	Very low	38.3	Very low	106 Å²	106	125.7 Å²	125.7	65%	0.65	67%	0.671	S	S	*	*	S	Bend	trans	-83.8	-17.7	179.2	32.3	0	0	0	0	113.1
985	E	38.5	Very low	37.8	Very low	168.5 Å²	168.5	127.7 Å²	127.7	79%	0.787	68%	0.681	S	S	*	*	S	Bend	trans	-81	-1.9	178	-60.4	-163.1	163	0	0	114.2	I983 L987 F988 R1023	I983-E985 VanDerWaalsContact C-N 3.28Å; I983-E985 PolarHBondContact O-N 3.19Å; E985-L987 PolarHBondContact O-N 2.88Å; E985-F988 PolarHBondContact O-N 3.14Å; E985-R1023 IonicContact OE1-NH2 3.72Å; E985-R1023 IonicContact OE2-NH2 3.76Å
986	N	37	Very low	37.4	Very low	123.75 Å²	123.75	132.4 Å²	132.4	66%	0.662	71%	0.706	S	S	*	*	S	Bend	trans	-107.9	20.7	175.4	-81.3	-57.5	0	0	0	114	E982 I983	E982-N986 PolarHBondContact O-ND2 3.14Å; I983-N986 PolarHBondContact O-N 3.08Å
987	L	41.6	Very low	37.2	Very low	127 Å²	127	132.5 Å²	132.5	67%	0.665	70%	0.704	S	S	*	*	S	Bend	trans	-117.5	-9	174.1	-86.3	164.7	0	0	0	114.5	I983 E985 A989	I983-L987 HydrophobicContact CG2-CD1 4.1Å; I983-L987 HydrophobicContact CG2-CG 4.15Å; E985-L987 PolarHBondContact O-N 2.88Å; L987-A989 PolarHBondContact O-N 3.03Å
988	F	36.9	Very low	36.9	Very low	198.5 Å²	198.5	130.4 Å²	130.4	87%	0.871	70%	0.698	S	S	*	*	S	Bend	trans	-97.9	20.3	173.6	-78.1	-80.4	0	0	0	113.3	E985	E985-F988 PolarHBondContact O-N 3.14Å
989	A	37.5	Very low	36.5	Very low	71.75 Å²	71.75	135.9 Å²	135.9	59%	0.593	71%	0.714	S	S	*	*			trans	-123.4	122.3	175.4	0	0	0	0	0	112.1	L987 K991	L987-A989 PolarHBondContact O-N 3.03Å; A989-K991 PolarHBondContact O-N 2.75Å
990	D	34.6	Very low	36.4	Very low	149.25 Å²	149.25	132.7 Å²	132.7	80%	0.798	71%	0.714	S	S	*	*	S	Bend	trans	-49.9	94	173.6	-81.5	-42.7	0	0	0	115.8
991	K	37.4	Very low	36.5	Very low	180.5 Å²	180.5	130.4 Å²	130.4	79%	0.785	72%	0.718	S	S	*	*			trans	168.8	93.6	145.9	-99.2	159.4	-110.4	-46.9	0	116.1	A989 P993	A989-K991 PolarHBondContact O-N 2.75Å; K991-P993 VanDerWaalsContact O-CD 3.31Å; K991-P993 WeakPolarHBondContact O-CD 3.37Å
992	L	32.5	Very low	36.6	Very low	144.25 Å²	144.25	133.6 Å²	133.6	76%	0.755	72%	0.724	S	S	*	*			trans	-57.3	144.7	160.1	-73.8	153.6	0	0	0	112.5	S994	L992-S994 WeakPolarHBondContact CD2-OG 3.48Å; L992-S994 PolarHBondContact O-N 3.27Å; L992-S994 VanDerWaalsContact O-N 3.16Å
993	P	33	Very low	36.6	Very low	108 Å²	108	129.5 Å²	129.5	70%	0.701	72%	0.723	S	S	*	*			trans	-92.8	133.5	143.9	-4.2	19.2	0	0	0	113.7	K991 S995	K991-P993 VanDerWaalsContact O-CD 3.31Å; K991-P993 WeakPolarHBondContact O-CD 3.37Å; P993-S995 VanDerWaalsContact C-N 3.33Å; P993-S995 PolarHBondContact O-N 2.88Å
994	S	34.8	Very low	36.6	Very low	110.5 Å²	110.5	131.8 Å²	131.8	77%	0.773	74%	0.741	S	S	*	*			trans	-76.5	94.2	169.2	-53	0	0	0	0	111.6	L992	L992-S994 WeakPolarHBondContact CD2-OG 3.48Å; L992-S994 PolarHBondContact O-N 3.27Å; L992-S994 VanDerWaalsContact O-N 3.16Å
995	S	35.2	Very low	36.3	Very low	90.5 Å²	90.5	130.2 Å²	130.2	63%	0.633	74%	0.738	S	S	*	*			trans	-152.8	49	176.4	64.6	0	0	0	0	115.3	P993 F997	P993-S995 VanDerWaalsContact C-N 3.33Å; P993-S995 PolarHBondContact O-N 2.88Å; S995-F997 VanDerWaalsContact CB-CD2 3.46Å; S995-F997 WeakPolarHBondContact O-CD2 3.34Å; S995-F997 WeakPolarHBondContact OG-CE2 3.41Å
996	L	36.8	Very low	36.1	Very low	165.75 Å²	165.75	127 Å²	127	87%	0.868	73%	0.734	S	S	*	*	S	Bend	trans	-114.1	41.2	164.1	-66.2	178.1	0	0	0	113.1	P998	L996-P998 WeakPolarHBondContact O-CD 3.49Å
997	F	37.5	Very low	35.9	Very low	173.5 Å²	173.5	128.8 Å²	128.8	76%	0.761	74%	0.743	S	S	*	*			trans	-94.5	141.6	141.3	-79.2	-65.4	0	0	0	111	S995 Y999	S995-F997 VanDerWaalsContact CB-CD2 3.46Å; S995-F997 WeakPolarHBondContact O-CD2 3.34Å; S995-F997 WeakPolarHBondContact OG-CE2 3.41Å; F997-Y999 VanDerWaalsContact C-N 3.27Å; F997-Y999 PolarHBondContact O-N 3.23Å; F997-Y999 VanDerWaalsContact O-N 3.08Å
998	P	35.7	Very low	35.7	Very low	97 Å²	97	126.8 Å²	126.8	63%	0.63	75%	0.745	S	S	*	*			cis	-112	155.7	49.1	24.4	-7.6	0	0	0	113.3	L996	L996-P998 WeakPolarHBondContact O-CD 3.49Å
999	Y	33.5	Very low	35.4	Very low	203.5 Å²	203.5	127.8 Å²	127.8	80%	0.798	74%	0.743	S	S	*	*			cis	-142.5	130.2	46.2	-75.5	-88	0	0	0	113	F997	F997-Y999 VanDerWaalsContact C-N 3.27Å; F997-Y999 PolarHBondContact O-N 3.23Å; F997-Y999 VanDerWaalsContact O-N 3.08Å
1000	S	35	Very low	35.3	Very low	109 Å²	109	129.2 Å²	129.2	76%	0.762	75%	0.748	S	S	*	*			trans	-151.6	134.9	150.7	-77.1	0	0	0	0	111.6
1001	S	37.6	Very low	35.3	Very low	109.6 Å²	109.6	130.7 Å²	130.7	77%	0.766	75%	0.751	S	S	*	*			trans	-166.7	133	176.3	49.9	0	0	0	0	111.3
1002	T	38.5	Very low	35.2	Very low	131 Å²	131	125.6 Å²	125.6	80%	0.804	74%	0.742	S	S	*	*			trans	-142.6	144.2	140.1	34.1	0	0	0	0	111	E1034	T1002-E1034 WeakPolarHBondContact CB-OE2 3.49Å; T1002-E1034 HydrophobicContact CG2-CG 4.45Å; T1002-E1034 VanDerWaalsContact OG1-CD 3.31Å; T1002-E1034 PolarHBondContact OG1-OE2 3.43Å
1003	G	35.9	Very low	35.4	Very low	66.2 Å²	66.2	125.6 Å²	125.6	68%	0.682	74%	0.743	S	S	*	*			trans	136.6	129.8	138.3	0	0	0	0	0	116.7
1004	V	38.1	Very low	35.6	Very low	133.2 Å²	133.2	127.6 Å²	127.6	81%	0.807	75%	0.748	S	S	*	*			trans	97.2	150.3	144.9	-64.9	0	0	0	0	116.1	N1632 I1634	V1004-N1632 VanDerWaalsContact C-OD1 3.25Å; V1004-N1632 VanDerWaalsContact CB-OD1 3.26Å; V1004-N1632 WeakPolarHBondContact CB-OD1 3.45Å; V1004-N1632 WeakPolarHBondContact CG2-OD1 3.16Å; V1004-I1634 HydrophobicContact CG2-CG1 4.19Å
1005	A	35.3	Very low	35.8	Very low	72.2 Å²	72.2	129 Å²	129	60%	0.597	75%	0.747	S	S	*	*			cis	148.4	119.6	6	0	0	0	0	0	113.6	S1631 N1632	A1005-S1631 VanDerWaalsContact CB-C 3.49Å; A1005-S1631 WeakPolarHBondContact CB-O 3.39Å; A1005-N1632 WeakPolarHBondContact CA-OD1 3.47Å; A1005-N1632 HydrophobicContact CB-CB 4.25Å; A1005-N1632 WeakPolarHBondContact CB-OD1 3.44Å; A1005-N1632 PolarHBondContact N-OD1 3.49Å
1006	S	32.7	Very low	35.7	Very low	101.2 Å²	101.2	131.2 Å²	131.2	71%	0.708	75%	0.751	S	S	*	*				86.9	153.4	107.7	-92.3	0	0	0	0	118.7	N1632	S1006-N1632 PolarHBondContact O-ND2 3.12Å
1007	L	34.8	Very low	35.5	Very low	161.6 Å²	161.6	129.5 Å²	129.5	85%	0.846	74%	0.743	S	S	*	*			trans	111.2	144	148	-80.3	134.3	0	0	0	115.2	I1630	L1007-I1630 HydrophobicContact CG-CG2 4.34Å
1008	A	35.6	Very low	35.5	Very low	86.2 Å²	86.2	125.7 Å²	125.7	71%	0.712	74%	0.738	S	S	*	*			cis	158.2	155.5	-7	0	0	0	0	0	115.2
1009	R	31.5	Very low	35.5	Very low	219.8 Å²	219.8	126.3 Å²	126.3	83%	0.829	75%	0.745	S	S	*	*			trans	-147	139.6	167	-69.8	174.6	131.3	-175.2	-0.8	113.7	E1626	R1009-E1626 IonicContact CZ-OE1 3.87Å; R1009-E1626 IonicContact NH2-OE1 2.7Å; R1009-E1626 PolarHBondContact NH2-OE1 2.87Å
1010	S	35.8	Very low	35.7	Very low	100.2 Å²	100.2	121.8 Å²	121.8	70%	0.701	74%	0.743	S	S	*	*				-163.4	142.3	53.3	31.1	0	0	0	0	108.2
1011	Q	34.1	Very low	36.1	Very low	181.8 Å²	181.8	123 Å²	123	85%	0.85	74%	0.741	S	S	*	*				88.8	145.3	62.1	-134.8	168.3	-20.1	0	0	113.2
1012	A	35.2	Very low	36.7	Very low	73.2 Å²	73.2	124.2 Å²	124.2	61%	0.605	74%	0.743	S	S	*	*			trans	117.2	140.8	-179.9	0	0	0	0	0	115
1013	D	36.7	Very low	37.7	Very low	144.6 Å²	144.6	126.2 Å²	126.2	77%	0.773	74%	0.736	S	S	*	*			trans	78.1	128.8	130.5	-54.2	-28.5	0	0	0	118
1014	D	38	Very low	39.3	Very low	149 Å²	149	128.7 Å²	128.7	80%	0.797	73%	0.73	S	S	*	*				113.7	150.5	125.1	-79.6	-27.5	0	0	0	120.4
1015	D	37.3	Very low	41.1	Very low	140.6 Å²	140.6	124.4 Å²	124.4	75%	0.752	70%	0.701	S	S	*	*			trans	61.5	103.6	156.1	-77.8	-32.1	0	0	0	124.5
1016	N	34.8	Very low	43.2	Very low	135.6 Å²	135.6	127.3 Å²	127.3	73%	0.725	70%	0.7	S	S	*	*				63.4	109.4	120.8	-110.9	-32.5	0	0	0	122.1
1017	N	32.6	Very low	45.2	Very low	130 Å²	130	124.9 Å²	124.9	70%	0.695	68%	0.678	S	S	*	*				111.5	130.9	115.4	-154.8	6.6	0	0	0	117.7	N1618 N1619 Q1620	N1017-N1618 PolarHBondContact OD1-O 2.92Å; N1017-N1619 PolarHBondContact OD1-N 2.69Å; N1017-Q1620 HydrophobicContact CB-CB 3.95Å; N1017-Q1620 PolarHBondContact ND2-NE2 3.15Å
1018	S	36	Very low	46.9	Very low	95 Å²	95	124.6 Å²	124.6	66%	0.664	68%	0.678	S	S	*	*			trans	155.9	140.6	142.7	78.5	0	0	0	0	115.7	S1020 N1618 N1619 Q1620	S1018-S1020 PolarHBondContact O-N 3.36Å; S1018-N1618 WeakPolarHBondContact CB-O 3.39Å; S1018-N1618 PolarHBondContact N-O 3.41Å; S1018-N1618 PolarHBondContact OG-O 3.44Å; S1018-N1619 CarbonylContact O-C 3.06Å; S1018-N1619 WeakPolarHBondContact O-CA 3.24Å; S1018-N1619 PolarHBondContact O-OD1 3.13Å; S1018-N1619 VanDerWaalsContact O-OD1 3.04Å; S1018-Q1620 PolarHBondContact O-N 3.33Å
1019	S	36	Very low	48.7	Very low	109.2 Å²	109.2	124.3 Å²	124.3	76%	0.764	68%	0.683	S	S	*	*			trans	-105.5	135.6	172.5	53.1	0	0	0	0	111.8	D1021	S1019-D1021 PolarHBondContact O-N 2.8Å
1020	S	38.6	Very low	50.5	Low	108.4 Å²	108.4	117.9 Å²	117.9	76%	0.758	67%	0.668	S	S	*	*			trans	-128	120.2	167.6	-29.6	0	0	0	0	111.3	S1018 T1022	S1018-S1020 PolarHBondContact O-N 3.36Å; S1020-T1022 PolarHBondContact O-N 3.26Å
1021	D	43.2	Very low	52.6	Low	134.6 Å²	134.6	117.1 Å²	117.1	72%	0.72	66%	0.659	S	S	*	*			trans	-60.8	121.6	-177.8	-97.4	-20.9	0	0	0	113.3	S1019 R1023	S1019-D1021 PolarHBondContact O-N 2.8Å; D1021-R1023 VanDerWaalsContact C-N 3.29Å; D1021-R1023 HydrophobicContact CB-CG 4.23Å; D1021-R1023 PolarHBondContact O-N 3.08Å
1022	T	49.2	Very low	54.6	Low	133.8 Å²	133.8	109.8 Å²	109.8	82%	0.821	63%	0.625	S	S	*	*			trans	-75.3	84.3	171.4	31.7	0	0	0	0	110.4	S1020 Q1024	S1020-T1022 PolarHBondContact O-N 3.26Å; T1022-Q1024 PolarHBondContact O-N 3.08Å; T1022-Q1024 VanDerWaalsContact O-N 3.12Å
1023	R	59.8	Low	56.9	Low	173 Å²	173	110 Å²	110	65%	0.653	62%	0.622	S	S	*	*			trans	-58.8	115	174.9	-70.6	-178.9	171	-124.1	-9.3	110.7	E985 D1021 F1025	E985-R1023 IonicContact OE1-NH2 3.72Å; E985-R1023 IonicContact OE2-NH2 3.76Å; D1021-R1023 VanDerWaalsContact C-N 3.29Å; D1021-R1023 HydrophobicContact CB-CG 4.23Å; D1021-R1023 PolarHBondContact O-N 3.08Å; R1023-F1025 HydrophobicContact CB-CD1 4.38Å; R1023-F1025 HydrophobicContact CB-CD2 4.4Å; R1023-F1025 HydrophobicContact CB-CE1 4.09Å; R1023-F1025 HydrophobicContact CB-CE2 3.91Å; R1023-F1025 HydrophobicContact CB-CZ 3.79Å; R1023-F1025 HydrophobicContact CG-CZ 4.45Å; R1023-F1025 VanDerWaalsContact O-CD2 3.25Å; R1023-F1025 WeakPolarHBondContact O-CD2 3.39Å; R1023-F1025 VanDerWaalsContact O-CE2 3.28Å; R1023-F1025 WeakPolarHBondContact O-CE2 3.27Å
1024	Q	70	Confident	58.9	Low	120 Å²	120	108.4 Å²	108.4	56%	0.561	61%	0.61	S	S	*	*			trans	-73.6	139.9	165.7	-67.1	179.5	-5.9	0	0	109.1	T1022 F1026 V1031	T1022-Q1024 PolarHBondContact O-N 3.08Å; T1022-Q1024 VanDerWaalsContact O-N 3.12Å; Q1024-F1026 HydrophobicContact CB-CD2 4.43Å; Q1024-F1026 HydrophobicContact CB-CE2 3.85Å; Q1024-F1026 HydrophobicContact CB-CZ 4.4Å; Q1024-V1031 HydrophobicContact CB-CG1 4.19Å; Q1024-V1031 HydrophobicContact CG-CG1 4.3Å
1025	F	74.8	Confident	61	Low	41.6 Å²	41.6	105.6 Å²	105.6	18%	0.182	60%	0.601	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.5	107.3	-177.3	-66.9	-78.8	0	0	0	110.5	R1023 L1032 E1034 L1037	R1023-F1025 HydrophobicContact CB-CD1 4.38Å; R1023-F1025 HydrophobicContact CB-CD2 4.4Å; R1023-F1025 HydrophobicContact CB-CE1 4.09Å; R1023-F1025 HydrophobicContact CB-CE2 3.91Å; R1023-F1025 HydrophobicContact CB-CZ 3.79Å; R1023-F1025 HydrophobicContact CG-CZ 4.45Å; R1023-F1025 VanDerWaalsContact O-CD2 3.25Å; R1023-F1025 WeakPolarHBondContact O-CD2 3.39Å; R1023-F1025 VanDerWaalsContact O-CE2 3.28Å; R1023-F1025 WeakPolarHBondContact O-CE2 3.27Å; F1025-L1032 HydrophobicContact CB-CB 4.26Å; F1025-L1032 WeakPolarHBondContact CB-O 3.28Å; F1025-L1032 PolarHBondContact N-O 3.15Å; F1025-L1032 VanDerWaalsContact N-O 3.11Å; F1025-L1032 WeakPolarHBondContact O-CA 3.4Å; F1025-L1032 VanDerWaalsContact O-CB 3.26Å; F1025-L1032 WeakPolarHBondContact O-CB 3.42Å; F1025-L1032 PolarHBondContact O-N 3.13Å; F1025-E1034 HydrophobicContact CD2-CB 4.22Å; F1025-E1034 HydrophobicContact CD2-CG 4.46Å; F1025-E1034 HydrophobicContact CE2-CB 3.63Å; F1025-E1034 HydrophobicContact CE2-CG 3.92Å; F1025-E1034 HydrophobicContact CZ-CB 3.94Å; F1025-E1034 HydrophobicContact CZ-CG 4.13Å; F1025-L1037 HydrophobicContact CB-CB 3.96Å; F1025-L1037 HydrophobicContact CB-CD1 3.91Å; F1025-L1037 HydrophobicContact CB-CD2 4.22Å; F1025-L1037 HydrophobicContact CB-CG 4.29Å; F1025-L1037 HydrophobicContact CD1-CB 4.29Å; F1025-L1037 HydrophobicContact CD1-CD1 4.09Å; F1025-L1037 HydrophobicContact CD1-CD2 3.55Å; F1025-L1037 VanDerWaalsContact CD1-CD2 3.44Å; F1025-L1037 HydrophobicContact CD1-CG 4.25Å; F1025-L1037 HydrophobicContact CD2-CB 4.2Å; F1025-L1037 HydrophobicContact CD2-CD2 4.17Å; F1025-L1037 HydrophobicContact CD2-CG 4.43Å; F1025-L1037 HydrophobicContact CE1-CD2 3.85Å; F1025-L1037 HydrophobicContact CE2-CD2 3.99Å; F1025-L1037 HydrophobicContact CG-CB 4.1Å; F1025-L1037 HydrophobicContact CG-CD1 4.31Å; F1025-L1037 HydrophobicContact CG-CD2 3.85Å; F1025-L1037 VanDerWaalsContact CG-CD2 3.49Å; F1025-L1037 HydrophobicContact CG-CG 4.17Å; F1025-L1037 HydrophobicContact CZ-CD2 4.15Å
1026	F	79.5	Confident	63	Low	133 Å²	133	99.8 Å²	99.8	58%	0.583	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.3	134.6	178.7	-64.4	-99.1	0	0	0	110.7	Q1024 V1030 V1031	Q1024-F1026 HydrophobicContact CB-CD2 4.43Å; Q1024-F1026 HydrophobicContact CB-CE2 3.85Å; Q1024-F1026 HydrophobicContact CB-CZ 4.4Å; F1026-V1030 WeakPolarHBondContact CA-O 3.38Å; F1026-V1031 HydrophobicContact CD1-CG2 4.01Å; F1026-V1031 HydrophobicContact CE1-CG2 3.53Å; F1026-V1031 VanDerWaalsContact CE1-CG2 3.47Å; F1026-V1031 HydrophobicContact CZ-CG2 4.03Å
1027	M	75.7	Confident	65.4	Low	50.8 Å²	50.8	94.1 Å²	94.1	25%	0.25	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	133	168.3	-166.8	153.2	51.2	0	0	109	G1029 V1030 L1032 L1037 I1040 L1044	M1027-G1029 PolarHBondContact O-N 3.17Å; M1027-G1029 VanDerWaalsContact O-N 3.14Å; M1027-V1030 PolarHBondContact N-O 3.11Å; M1027-V1030 VanDerWaalsContact N-O 3.11Å; M1027-V1030 PolarHBondContact O-N 3.15Å; M1027-L1032 HydrophobicContact CB-CD1 3.82Å; M1027-L1032 HydrophobicContact CE-CD1 3.66Å; M1027-L1037 HydrophobicContact CE-CD1 4.04Å; M1027-L1037 HydrophobicContact SD-CD1 4.49Å; M1027-I1040 HydrophobicContact CE-CB 3.8Å; M1027-I1040 HydrophobicContact CE-CD1 3.99Å; M1027-I1040 HydrophobicContact CE-CG1 4.44Å; M1027-I1040 HydrophobicContact CE-CG2 3.44Å; M1027-I1040 VanDerWaalsContact CE-CG2 3.47Å; M1027-I1040 HydrophobicContact SD-CG2 4.31Å; M1027-L1044 HydrophobicContact SD-CD1 4.25Å
1028	D	71.4	Confident	67.6	Low	157.2 Å²	157.2	90.9 Å²	90.9	84%	0.841	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	39.2	-179.6	-51	-27.7	0	0	0	114.1	V1030	D1028-V1030 VanDerWaalsContact C-N 3.29Å; D1028-V1030 PolarHBondContact O-N 3.04Å
1029	G	71.7	Confident	69.8	Low	79.4 Å²	79.4	90.3 Å²	90.3	82%	0.819	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-6.1	-178.9	0	0	0	0	0	115.4	M1027	M1027-G1029 PolarHBondContact O-N 3.17Å; M1027-G1029 VanDerWaalsContact O-N 3.14Å
1030	V	70.7	Confident	71.9	Confident	84.6 Å²	84.6	88 Å²	88	51%	0.513	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	135.5	-176.9	-176.2	0	0	0	0	111.2	F1026 M1027 D1028 L1032	F1026-V1030 WeakPolarHBondContact CA-O 3.38Å; M1027-V1030 PolarHBondContact N-O 3.11Å; M1027-V1030 VanDerWaalsContact N-O 3.11Å; M1027-V1030 PolarHBondContact O-N 3.15Å; D1028-V1030 VanDerWaalsContact C-N 3.29Å; D1028-V1030 PolarHBondContact O-N 3.04Å; V1030-L1032 HydrophobicContact CG1-CD2 4.21Å; V1030-L1032 PolarHBondContact O-N 2.97Å
1031	V	79.6	Confident	73.9	Confident	84.2 Å²	84.2	87.6 Å²	87.6	51%	0.51	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	117.7	169.4	-176.8	0	0	0	0	109.4	Q1024 F1026	Q1024-V1031 HydrophobicContact CB-CG1 4.19Å; Q1024-V1031 HydrophobicContact CG-CG1 4.3Å; F1026-V1031 HydrophobicContact CD1-CG2 4.01Å; F1026-V1031 HydrophobicContact CE1-CG2 3.53Å; F1026-V1031 VanDerWaalsContact CE1-CG2 3.47Å; F1026-V1031 HydrophobicContact CZ-CG2 4.03Å
1032	L	76.2	Confident	75.6	Confident	28.6 Å²	28.6	86.7 Å²	86.7	15%	0.15	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	146.4	177.6	-56.9	168.9	0	0	0	110.6	F1025 M1027 V1030 L1037 I1040	F1025-L1032 HydrophobicContact CB-CB 4.26Å; F1025-L1032 WeakPolarHBondContact CB-O 3.28Å; F1025-L1032 PolarHBondContact N-O 3.15Å; F1025-L1032 VanDerWaalsContact N-O 3.11Å; F1025-L1032 WeakPolarHBondContact O-CA 3.4Å; F1025-L1032 VanDerWaalsContact O-CB 3.26Å; F1025-L1032 WeakPolarHBondContact O-CB 3.42Å; F1025-L1032 PolarHBondContact O-N 3.13Å; M1027-L1032 HydrophobicContact CB-CD1 3.82Å; M1027-L1032 HydrophobicContact CE-CD1 3.66Å; V1030-L1032 HydrophobicContact CG1-CD2 4.21Å; V1030-L1032 PolarHBondContact O-N 2.97Å; L1032-L1037 HydrophobicContact CB-CB 4.37Å; L1032-L1037 HydrophobicContact CD1-CB 4.3Å; L1032-L1037 HydrophobicContact CD1-CD1 4.37Å; L1032-I1040 HydrophobicContact CD1-CD1 3.72Å; L1032-I1040 HydrophobicContact CD2-CD1 3.92Å; L1032-I1040 HydrophobicContact CG-CD1 4.41Å
1033	S	82.3	Confident	76.8	Confident	75.8 Å²	75.8	82.6 Å²	82.6	53%	0.53	45%	0.454	S	S	.	.			trans	-71	163.9	161.1	65.8	0	0	0	0	110.6	C1035 G1036 L1037	S1033-C1035 PolarHBondContact O-N 3.02Å; S1033-C1035 VanDerWaalsContact O-N 3.15Å; S1033-G1036 CarbonylContact O-C 3.41Å; S1033-G1036 WeakPolarHBondContact O-CA 3.42Å; S1033-G1036 PolarHBondContact O-N 3.35Å; S1033-G1036 PolarHBondContact OG-N 3.12Å; S1033-G1036 VanDerWaalsContact OG-N 3.12Å; S1033-L1037 PolarHBondContact O-N 3.32Å
1034	E	80.1	Confident	77.6	Confident	112.8 Å²	112.8	79.1 Å²	79.1	53%	0.527	45%	0.448	S	S	.	.	H	α-helix	trans	-55.6	-36	173.6	-172.4	173.3	-167.4	0	0	112	T1002 F1025 N1038	T1002-E1034 WeakPolarHBondContact CB-OE2 3.49Å; T1002-E1034 HydrophobicContact CG2-CG 4.45Å; T1002-E1034 VanDerWaalsContact OG1-CD 3.31Å; T1002-E1034 PolarHBondContact OG1-OE2 3.43Å; F1025-E1034 HydrophobicContact CD2-CB 4.22Å; F1025-E1034 HydrophobicContact CD2-CG 4.46Å; F1025-E1034 HydrophobicContact CE2-CB 3.63Å; F1025-E1034 HydrophobicContact CE2-CG 3.92Å; F1025-E1034 HydrophobicContact CZ-CB 3.94Å; F1025-E1034 HydrophobicContact CZ-CG 4.13Å; E1034-N1038 VanDerWaalsContact CG-ND2 3.29Å; E1034-N1038 WeakPolarHBondContact CG-ND2 3.2Å; E1034-N1038 VanDerWaalsContact O-CB 3.28Å; E1034-N1038 WeakPolarHBondContact O-CB 3.28Å; E1034-N1038 PolarHBondContact O-N 3.3Å; E1034-N1038 PolarHBondContact O-ND2 3.18Å; E1034-N1038 VanDerWaalsContact O-ND2 3.16Å; E1034-N1038 PolarHBondContact OE1-ND2 3.39Å
1035	C	81	Confident	77.5	Confident	89 Å²	89	79.6 Å²	79.6	60%	0.601	45%	0.453	S	S	*	.	H	α-helix	trans	-65.8	-42.5	174	-171.5	0	0	0	0	111.9	S1033 N1038 T1039	S1033-C1035 PolarHBondContact O-N 3.02Å; S1033-C1035 VanDerWaalsContact O-N 3.15Å; C1035-N1038 PolarHBondContact O-N 2.99Å; C1035-T1039 VanDerWaalsContact O-CB 3.27Å; C1035-T1039 WeakPolarHBondContact O-CB 3.4Å; C1035-T1039 PolarHBondContact O-N 3.15Å; C1035-T1039 PolarHBondContact O-OG1 3.09Å
1036	G	79.2	Confident	76.7	Confident	19.4 Å²	19.4	85.3 Å²	85.3	20%	0.2	48%	0.478	C	S	.	.	H	α-helix	trans	-61	-50.7	174.8	0	0	0	0	0	112.3	S1033 N1038 T1039 I1040	S1033-G1036 CarbonylContact O-C 3.41Å; S1033-G1036 WeakPolarHBondContact O-CA 3.42Å; S1033-G1036 PolarHBondContact O-N 3.35Å; S1033-G1036 PolarHBondContact OG-N 3.12Å; S1033-G1036 VanDerWaalsContact OG-N 3.12Å; G1036-N1038 PolarHBondContact O-N 3.31Å; G1036-T1039 WeakPolarHBondContact O-CB 3.4Å; G1036-T1039 PolarHBondContact O-N 3.31Å; G1036-T1039 VanDerWaalsContact O-N 3.15Å; G1036-I1040 WeakPolarHBondContact O-CG1 3.4Å; G1036-I1040 PolarHBondContact O-N 3.15Å
1037	L	85	Confident	75.5	Confident	16.4 Å²	16.4	84.5 Å²	84.5	9%	0.086	48%	0.479	C	S	.	.	H	α-helix	trans	-63.1	-42.5	177.2	-177.6	106.5	0	0	0	112	F1025 M1027 L1032 S1033 T1039 I1040 K1041	F1025-L1037 HydrophobicContact CB-CB 3.96Å; F1025-L1037 HydrophobicContact CB-CD1 3.91Å; F1025-L1037 HydrophobicContact CB-CD2 4.22Å; F1025-L1037 HydrophobicContact CB-CG 4.29Å; F1025-L1037 HydrophobicContact CD1-CB 4.29Å; F1025-L1037 HydrophobicContact CD1-CD1 4.09Å; F1025-L1037 HydrophobicContact CD1-CD2 3.55Å; F1025-L1037 VanDerWaalsContact CD1-CD2 3.44Å; F1025-L1037 HydrophobicContact CD1-CG 4.25Å; F1025-L1037 HydrophobicContact CD2-CB 4.2Å; F1025-L1037 HydrophobicContact CD2-CD2 4.17Å; F1025-L1037 HydrophobicContact CD2-CG 4.43Å; F1025-L1037 HydrophobicContact CE1-CD2 3.85Å; F1025-L1037 HydrophobicContact CE2-CD2 3.99Å; F1025-L1037 HydrophobicContact CG-CB 4.1Å; F1025-L1037 HydrophobicContact CG-CD1 4.31Å; F1025-L1037 HydrophobicContact CG-CD2 3.85Å; F1025-L1037 VanDerWaalsContact CG-CD2 3.49Å; F1025-L1037 HydrophobicContact CG-CG 4.17Å; F1025-L1037 HydrophobicContact CZ-CD2 4.15Å; M1027-L1037 HydrophobicContact CE-CD1 4.04Å; M1027-L1037 HydrophobicContact SD-CD1 4.49Å; L1032-L1037 HydrophobicContact CB-CB 4.37Å; L1032-L1037 HydrophobicContact CD1-CB 4.3Å; L1032-L1037 HydrophobicContact CD1-CD1 4.37Å; S1033-L1037 PolarHBondContact O-N 3.32Å; L1037-T1039 VanDerWaalsContact C-N 3.31Å; L1037-T1039 PolarHBondContact O-N 3.08Å; L1037-I1040 PolarHBondContact O-N 3.07Å; L1037-K1041 HydrophobicContact CD1-CG 4.49Å; L1037-K1041 HydrophobicContact CD2-CD 3.98Å; L1037-K1041 VanDerWaalsContact CD2-CE 3.44Å; L1037-K1041 HydrophobicContact CD2-CG 4.44Å; L1037-K1041 VanDerWaalsContact CD2-NZ 3.33Å; L1037-K1041 HydrophobicContact CG-CD 4.18Å; L1037-K1041 HydrophobicContact CG-CG 4.22Å; L1037-K1041 VanDerWaalsContact O-CB 3.27Å; L1037-K1041 WeakPolarHBondContact O-CB 3.29Å; L1037-K1041 VanDerWaalsContact O-CG 3.25Å; L1037-K1041 WeakPolarHBondContact O-CG 3.43Å; L1037-K1041 PolarHBondContact O-N 2.94Å
1038	N	80.1	Confident	73.9	Confident	61.2 Å²	61.2	89 Å²	89	33%	0.327	50%	0.499	S	S	.	.	H	α-helix	trans	-68.1	-30.9	175.9	-80.1	-39.7	0	0	0	112.6	E1034 C1035 G1036 Q1042	E1034-N1038 VanDerWaalsContact CG-ND2 3.29Å; E1034-N1038 WeakPolarHBondContact CG-ND2 3.2Å; E1034-N1038 VanDerWaalsContact O-CB 3.28Å; E1034-N1038 WeakPolarHBondContact O-CB 3.28Å; E1034-N1038 PolarHBondContact O-N 3.3Å; E1034-N1038 PolarHBondContact O-ND2 3.18Å; E1034-N1038 VanDerWaalsContact O-ND2 3.16Å; E1034-N1038 PolarHBondContact OE1-ND2 3.39Å; C1035-N1038 PolarHBondContact O-N 2.99Å; G1036-N1038 PolarHBondContact O-N 3.31Å; N1038-Q1042 VanDerWaalsContact O-CB 3.29Å; N1038-Q1042 WeakPolarHBondContact O-CB 3.18Å; N1038-Q1042 VanDerWaalsContact O-CG 3.26Å; N1038-Q1042 WeakPolarHBondContact O-CG 3.31Å; N1038-Q1042 PolarHBondContact O-N 3.05Å; N1038-Q1042 PolarHBondContact O-NE2 3.45Å
1039	T	81.2	Confident	72.4	Confident	82.8 Å²	82.8	86.8 Å²	86.8	51%	0.508	49%	0.493	S	S	.	.	H	α-helix	trans	-67.6	-46.1	173	-61	0	0	0	0	111.1	C1035 G1036 L1037 K1041 Q1042 A1043	C1035-T1039 VanDerWaalsContact O-CB 3.27Å; C1035-T1039 WeakPolarHBondContact O-CB 3.4Å; C1035-T1039 PolarHBondContact O-N 3.15Å; C1035-T1039 PolarHBondContact O-OG1 3.09Å; G1036-T1039 WeakPolarHBondContact O-CB 3.4Å; G1036-T1039 PolarHBondContact O-N 3.31Å; G1036-T1039 VanDerWaalsContact O-N 3.15Å; L1037-T1039 VanDerWaalsContact C-N 3.31Å; L1037-T1039 PolarHBondContact O-N 3.08Å; T1039-K1041 PolarHBondContact O-N 2.92Å; T1039-Q1042 CarbonylContact O-C 3.4Å; T1039-Q1042 WeakPolarHBondContact O-CB 3.35Å; T1039-Q1042 PolarHBondContact O-N 3.01Å; T1039-Q1042 VanDerWaalsContact O-N 3.13Å; T1039-A1043 WeakPolarHBondContact O-CB 3.4Å; T1039-A1043 PolarHBondContact O-N 3.04Å
1040	I	80.4	Confident	70.7	Confident	62.4 Å²	62.4	91.8 Å²	91.8	32%	0.32	49%	0.493	S	S	.	.	H	α-helix	trans	-69.3	-38.5	177.8	-62.5	165.1	0	0	0	110.9	M1027 L1032 G1036 L1037 Q1042 A1043 L1044	M1027-I1040 HydrophobicContact CE-CB 3.8Å; M1027-I1040 HydrophobicContact CE-CD1 3.99Å; M1027-I1040 HydrophobicContact CE-CG1 4.44Å; M1027-I1040 HydrophobicContact CE-CG2 3.44Å; M1027-I1040 VanDerWaalsContact CE-CG2 3.47Å; M1027-I1040 HydrophobicContact SD-CG2 4.31Å; L1032-I1040 HydrophobicContact CD1-CD1 3.72Å; L1032-I1040 HydrophobicContact CD2-CD1 3.92Å; L1032-I1040 HydrophobicContact CG-CD1 4.41Å; G1036-I1040 WeakPolarHBondContact O-CG1 3.4Å; G1036-I1040 PolarHBondContact O-N 3.15Å; L1037-I1040 PolarHBondContact O-N 3.07Å; I1040-Q1042 VanDerWaalsContact C-N 3.32Å; I1040-Q1042 PolarHBondContact O-N 3.1Å; I1040-A1043 CarbonylContact O-C 3.56Å; I1040-A1043 WeakPolarHBondContact O-CA 3.07Å; I1040-A1043 WeakPolarHBondContact O-CB 3.17Å; I1040-A1043 PolarHBondContact O-N 2.96Å; I1040-A1043 VanDerWaalsContact O-N 3.11Å; I1040-L1044 HydrophobicContact CG2-CD1 3.93Å; I1040-L1044 HydrophobicContact CG2-CG 4.16Å; I1040-L1044 WeakPolarHBondContact O-CB 3.39Å; I1040-L1044 VanDerWaalsContact O-CG 3.29Å; I1040-L1044 WeakPolarHBondContact O-CG 3.21Å; I1040-L1044 PolarHBondContact O-N 3.18Å
1041	K	80.3	Confident	68.9	Low	99.6 Å²	99.6	99.2 Å²	99.2	43%	0.433	51%	0.511	S	S	.	.	H	α-helix	trans	-56.4	-44.7	168.7	-78.4	174.3	175.2	174.7	0	111.6	L1037 T1039 A1043 L1044 L1045	L1037-K1041 HydrophobicContact CD1-CG 4.49Å; L1037-K1041 HydrophobicContact CD2-CD 3.98Å; L1037-K1041 VanDerWaalsContact CD2-CE 3.44Å; L1037-K1041 HydrophobicContact CD2-CG 4.44Å; L1037-K1041 VanDerWaalsContact CD2-NZ 3.33Å; L1037-K1041 HydrophobicContact CG-CD 4.18Å; L1037-K1041 HydrophobicContact CG-CG 4.22Å; L1037-K1041 VanDerWaalsContact O-CB 3.27Å; L1037-K1041 WeakPolarHBondContact O-CB 3.29Å; L1037-K1041 VanDerWaalsContact O-CG 3.25Å; L1037-K1041 WeakPolarHBondContact O-CG 3.43Å; L1037-K1041 PolarHBondContact O-N 2.94Å; T1039-K1041 PolarHBondContact O-N 2.92Å; K1041-A1043 VanDerWaalsContact C-N 3.33Å; K1041-A1043 PolarHBondContact O-N 3.16Å; K1041-L1044 PolarHBondContact O-N 3Å; K1041-L1045 VanDerWaalsContact O-CB 3.28Å; K1041-L1045 WeakPolarHBondContact O-CB 3.27Å; K1041-L1045 WeakPolarHBondContact O-CD1 3.36Å; K1041-L1045 WeakPolarHBondContact O-CG 3.3Å; K1041-L1045 PolarHBondContact O-N 3.01Å
1042	Q	79.7	Confident	66.9	Low	115 Å²	115	103.2 Å²	103.2	54%	0.537	52%	0.524	S	S	.	.	H	α-helix	trans	-67.4	-28.1	175.4	-77	-176.1	49.4	0	0	113.5	N1038 T1039 I1040 K1046	N1038-Q1042 VanDerWaalsContact O-CB 3.29Å; N1038-Q1042 WeakPolarHBondContact O-CB 3.18Å; N1038-Q1042 VanDerWaalsContact O-CG 3.26Å; N1038-Q1042 WeakPolarHBondContact O-CG 3.31Å; N1038-Q1042 PolarHBondContact O-N 3.05Å; N1038-Q1042 PolarHBondContact O-NE2 3.45Å; T1039-Q1042 CarbonylContact O-C 3.4Å; T1039-Q1042 WeakPolarHBondContact O-CB 3.35Å; T1039-Q1042 PolarHBondContact O-N 3.01Å; T1039-Q1042 VanDerWaalsContact O-N 3.13Å; I1040-Q1042 VanDerWaalsContact C-N 3.32Å; I1040-Q1042 PolarHBondContact O-N 3.1Å; Q1042-K1046 VanDerWaalsContact O-CB 3.29Å; Q1042-K1046 WeakPolarHBondContact O-CB 3.36Å; Q1042-K1046 VanDerWaalsContact O-CD 3.22Å; Q1042-K1046 WeakPolarHBondContact O-CD 3.38Å; Q1042-K1046 WeakPolarHBondContact O-CE 3.37Å; Q1042-K1046 VanDerWaalsContact O-CG 3.25Å; Q1042-K1046 WeakPolarHBondContact O-CG 3.38Å; Q1042-K1046 PolarHBondContact O-N 3.1Å; Q1042-K1046 VanDerWaalsContact O-N 3.12Å
1043	A	74.2	Confident	65	Low	48.2 Å²	48.2	107.2 Å²	107.2	40%	0.398	55%	0.55	S	S	.	*	H	α-helix	trans	-72.6	-49.2	173	0	0	0	0	0	111.3	T1039 I1040 K1041 L1045 K1046 I1047	T1039-A1043 WeakPolarHBondContact O-CB 3.4Å; T1039-A1043 PolarHBondContact O-N 3.04Å; I1040-A1043 CarbonylContact O-C 3.56Å; I1040-A1043 WeakPolarHBondContact O-CA 3.07Å; I1040-A1043 WeakPolarHBondContact O-CB 3.17Å; I1040-A1043 PolarHBondContact O-N 2.96Å; I1040-A1043 VanDerWaalsContact O-N 3.11Å; K1041-A1043 VanDerWaalsContact C-N 3.33Å; K1041-A1043 PolarHBondContact O-N 3.16Å; A1043-L1045 VanDerWaalsContact C-N 3.3Å; A1043-L1045 PolarHBondContact O-N 2.94Å; A1043-K1046 CarbonylContact O-C 3.35Å; A1043-K1046 WeakPolarHBondContact O-CA 3.31Å; A1043-K1046 WeakPolarHBondContact O-CB 3.33Å; A1043-K1046 PolarHBondContact O-N 3.11Å; A1043-I1047 VanDerWaalsContact O-CG1 3.3Å; A1043-I1047 WeakPolarHBondContact O-CG1 3.34Å; A1043-I1047 PolarHBondContact O-N 3.13Å
1044	L	77	Confident	62.6	Low	99.4 Å²	99.4	110 Å²	110	52%	0.52	56%	0.559	S	S	.	*	H	α-helix	trans	-61.2	-40.1	177	-67.9	171.8	0	0	0	112.1	M1027 I1040 K1041 K1046 I1047 Q1048	M1027-L1044 HydrophobicContact SD-CD1 4.25Å; I1040-L1044 HydrophobicContact CG2-CD1 3.93Å; I1040-L1044 HydrophobicContact CG2-CG 4.16Å; I1040-L1044 WeakPolarHBondContact O-CB 3.39Å; I1040-L1044 VanDerWaalsContact O-CG 3.29Å; I1040-L1044 WeakPolarHBondContact O-CG 3.21Å; I1040-L1044 PolarHBondContact O-N 3.18Å; K1041-L1044 PolarHBondContact O-N 3Å; L1044-K1046 VanDerWaalsContact C-N 3.28Å; L1044-K1046 PolarHBondContact O-N 3.24Å; L1044-K1046 VanDerWaalsContact O-N 3.12Å; L1044-I1047 CarbonylContact O-C 3.48Å; L1044-I1047 WeakPolarHBondContact O-CA 3.34Å; L1044-I1047 WeakPolarHBondContact O-CB 3.19Å; L1044-I1047 PolarHBondContact O-N 2.99Å; L1044-Q1048 PolarHBondContact O-N 3.1Å; L1044-Q1048 VanDerWaalsContact O-N 3.07Å
1045	L	67.9	Low	60.6	Low	130.4 Å²	130.4	112.4 Å²	112.4	68%	0.683	57%	0.57	S	S	*	*	H	α-helix	trans	-67.8	-18.6	175.1	-72.4	168.7	0	0	0	113.8	K1041 A1043 I1047	K1041-L1045 VanDerWaalsContact O-CB 3.28Å; K1041-L1045 WeakPolarHBondContact O-CB 3.27Å; K1041-L1045 WeakPolarHBondContact O-CD1 3.36Å; K1041-L1045 WeakPolarHBondContact O-CG 3.3Å; K1041-L1045 PolarHBondContact O-N 3.01Å; A1043-L1045 VanDerWaalsContact C-N 3.3Å; A1043-L1045 PolarHBondContact O-N 2.94Å; L1045-I1047 VanDerWaalsContact C-N 3.34Å; L1045-I1047 PolarHBondContact O-N 3.21Å
1046	K	58.4	Low	58.5	Low	160.4 Å²	160.4	116.6 Å²	116.6	70%	0.697	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-12.4	172.7	-73.2	169.5	-171.9	166.3	0	113.2	Q1042 A1043 L1044 Q1048	Q1042-K1046 VanDerWaalsContact O-CB 3.29Å; Q1042-K1046 WeakPolarHBondContact O-CB 3.36Å; Q1042-K1046 VanDerWaalsContact O-CD 3.22Å; Q1042-K1046 WeakPolarHBondContact O-CD 3.38Å; Q1042-K1046 WeakPolarHBondContact O-CE 3.37Å; Q1042-K1046 VanDerWaalsContact O-CG 3.25Å; Q1042-K1046 WeakPolarHBondContact O-CG 3.38Å; Q1042-K1046 PolarHBondContact O-N 3.1Å; Q1042-K1046 VanDerWaalsContact O-N 3.12Å; A1043-K1046 CarbonylContact O-C 3.35Å; A1043-K1046 WeakPolarHBondContact O-CA 3.31Å; A1043-K1046 WeakPolarHBondContact O-CB 3.33Å; A1043-K1046 PolarHBondContact O-N 3.11Å; L1044-K1046 VanDerWaalsContact C-N 3.28Å; L1044-K1046 PolarHBondContact O-N 3.24Å; L1044-K1046 VanDerWaalsContact O-N 3.12Å; K1046-Q1048 VanDerWaalsContact C-N 3.27Å
1047	I	54	Low	56.2	Low	117.2 Å²	117.2	125.7 Å²	125.7	60%	0.601	61%	0.606	S	S	*	*			trans	-95.9	12.8	179	-59.5	170.7	0	0	0	111.5	A1043 L1044 L1045 P1049 T1083	A1043-I1047 VanDerWaalsContact O-CG1 3.3Å; A1043-I1047 WeakPolarHBondContact O-CG1 3.34Å; A1043-I1047 PolarHBondContact O-N 3.13Å; L1044-I1047 CarbonylContact O-C 3.48Å; L1044-I1047 WeakPolarHBondContact O-CA 3.34Å; L1044-I1047 WeakPolarHBondContact O-CB 3.19Å; L1044-I1047 PolarHBondContact O-N 2.99Å; L1045-I1047 VanDerWaalsContact C-N 3.34Å; L1045-I1047 PolarHBondContact O-N 3.21Å; I1047-P1049 VanDerWaalsContact O-CD 3.26Å; I1047-P1049 WeakPolarHBondContact O-CD 3.34Å; I1047-T1083 HydrophobicContact CD1-CG2 4.31Å
1048	Q	40.7	Very low	54	Low	144.6 Å²	144.6	131.5 Å²	131.5	68%	0.676	64%	0.637	S	S	*	*	S	Bend	trans	-77.3	117.9	171.4	-78.8	-66.9	-20	0	0	111.9	L1044 K1046 K1050	L1044-Q1048 PolarHBondContact O-N 3.1Å; L1044-Q1048 VanDerWaalsContact O-N 3.07Å; K1046-Q1048 VanDerWaalsContact C-N 3.27Å; Q1048-K1050 PolarHBondContact O-N 3.13Å; Q1048-K1050 VanDerWaalsContact O-N 3.17Å
1049	P	39.9	Very low	51.7	Low	111.4 Å²	111.4	132.8 Å²	132.8	72%	0.723	65%	0.651	S	S	*	*			trans	-77.2	114.4	-174	29.7	-34.1	0	0	0	112.1	I1047 R1051	I1047-P1049 VanDerWaalsContact O-CD 3.26Å; I1047-P1049 WeakPolarHBondContact O-CD 3.34Å; P1049-R1051 PolarHBondContact O-N 3.29Å
1050	K	36	Very low	49.7	Very low	184.2 Å²	184.2	134.7 Å²	134.7	80%	0.801	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-66.5	116	174.8	-73.9	-175.6	176	178.9	0	111.8	Q1048 H1052 V1080	Q1048-K1050 PolarHBondContact O-N 3.13Å; Q1048-K1050 VanDerWaalsContact O-N 3.17Å; K1050-H1052 WeakPolarHBondContact CB-NE2 3.35Å; K1050-H1052 PolarHBondContact O-CD2 3.4Å; K1050-H1052 PolarHBondContact O-N 2.75Å; K1050-H1052 VanDerWaalsContact O-N 3.12Å; K1050-V1080 HydrophobicContact CB-CG2 4.43Å; K1050-V1080 HydrophobicContact CD-CG2 4.15Å
1051	R	33.8	Very low	47.6	Very low	241.2 Å²	241.2	139.2 Å²	139.2	91%	0.91	68%	0.678	S	S	*	*			trans	-96.1	132.7	158.4	-72.6	-172.4	172.4	178.4	-1.7	110.2	P1049 T1053	P1049-R1051 PolarHBondContact O-N 3.29Å; R1051-T1053 PolarHBondContact O-N 3.34Å
1052	H	38.2	Very low	45.5	Very low	166.6 Å²	166.6	142.6 Å²	142.6	77%	0.771	70%	0.695	S	S	*	*			trans	-74.3	128.4	168	-75.6	-91	0	0	0	113	K1050 N1054	K1050-H1052 WeakPolarHBondContact CB-NE2 3.35Å; K1050-H1052 PolarHBondContact O-CD2 3.4Å; K1050-H1052 PolarHBondContact O-N 2.75Å; K1050-H1052 VanDerWaalsContact O-N 3.12Å; H1052-N1054 PolarHBondContact O-ND2 3.31Å
1053	T	35.3	Very low	43.3	Very low	114 Å²	114	140.8 Å²	140.8	70%	0.699	70%	0.695	S	S	*	*			trans	-136.6	135.1	133.8	-27.6	0	0	0	0	111.6	R1051 Q1055	R1051-T1053 PolarHBondContact O-N 3.34Å; T1053-Q1055 HydrophobicContact CG2-CG 4.36Å
1054	N	32.5	Very low	41.5	Very low	133.2 Å²	133.2	147 Å²	147	71%	0.712	72%	0.716	S	S	*	*			trans	-150.1	140.4	152	-83	-54.9	0	0	0	113.5	H1052	H1052-N1054 PolarHBondContact O-ND2 3.31Å
1055	Q	37.9	Very low	39.4	Very low	162.8 Å²	162.8	146.9 Å²	146.9	76%	0.761	72%	0.724	S	S	*	*				140.6	147.8	97.3	-85.6	-176.4	60.7	0	0	113.5	T1053	T1053-Q1055 HydrophobicContact CG2-CG 4.36Å
1056	K	36.2	Very low	37.9	Very low	179.2 Å²	179.2	146.5 Å²	146.5	78%	0.779	73%	0.726	S	S	*	*				156.2	130	121.2	-164.5	174.3	-176.3	175.3	0	114.4
1057	R	32	Very low	36.7	Very low	208.8 Å²	208.8	144.3 Å²	144.3	79%	0.788	73%	0.727	S	S	*	*			trans	90.9	140.6	131.5	-101.9	-175.1	-174.8	-121.3	2.8	114.4
1058	L	37.3	Very low	35.7	Very low	139.2 Å²	139.2	145.1 Å²	145.1	73%	0.729	73%	0.732	S	S	*	*				88.3	141.8	120.5	-65.9	169.3	0	0	0	114.5
1059	S	33.6	Very low	35.4	Very low	89 Å²	89	144.6 Å²	144.6	62%	0.622	74%	0.739	S	S	*	*			cis	-170.9	167.7	-1.5	40.1	0	0	0	0	113
1060	D	37.9	Very low	35.2	Very low	121.8 Å²	121.8	142.9 Å²	142.9	65%	0.651	74%	0.742	S	S	*	*				110.2	144.3	124.7	-79.2	-58	0	0	0	116.3
1061	Q	37.1	Very low	35.1	Very low	157.6 Å²	157.6	139.7 Å²	139.7	74%	0.736	74%	0.743	S	S	*	*				70.5	138.2	117.6	-73.6	168.2	86.8	0	0	115.9
1062	Q	36.1	Very low	35	Very low	169.4 Å²	169.4	133.4 Å²	133.4	79%	0.792	73%	0.734	S	S	*	*				148.4	158.7	72.6	-120.6	177.1	2.8	0	0	114.7
1063	S	33.5	Very low	34.7	Very low	78.8 Å²	78.8	130.6 Å²	130.6	55%	0.551	73%	0.733	S	S	*	*			cis	145.1	148.6	26.6	35.3	0	0	0	0	115.4
1064	Q	35.7	Very low	34.7	Very low	177.8 Å²	177.8	132 Å²	132	83%	0.831	74%	0.742	S	S	*	*			trans	76.7	151.5	137	-73.3	161.2	13.8	0	0	116
1065	S	33.8	Very low	34.8	Very low	97.8 Å²	97.8	129.1 Å²	129.1	68%	0.684	74%	0.743	S	S	*	*			cis	174.6	151	-9.1	56.6	0	0	0	0	111.3
1066	V	35.1	Very low	34.6	Very low	121.8 Å²	121.8	128.2 Å²	128.2	74%	0.738	74%	0.744	S	S	*	*				-172.7	149.4	115.2	-115.5	0	0	0	0	114.4
1067	T	33.6	Very low	34.5	Very low	114.6 Å²	114.6	123.6 Å²	123.6	70%	0.703	73%	0.734	S	S	*	*			trans	55	143.9	136.2	64	0	0	0	0	119.3
1068	D	34.5	Very low	34.7	Very low	132.8 Å²	132.8	119.6 Å²	119.6	71%	0.71	73%	0.733	S	S	*	*			cis	-177.2	154.4	-2	-108.4	-38.9	0	0	0	113.6
1069	T	33.2	Very low	34.7	Very low	133.6 Å²	133.6	118 Å²	118	82%	0.82	73%	0.731	S	S	*	*				27.6	147.3	123.7	53.6	0	0	0	0	117.9
1070	G	35.4	Very low	34.8	Very low	76.8 Å²	76.8	119.4 Å²	119.4	79%	0.792	74%	0.735	S	S	*	*			trans	146.4	114.4	153.6	0	0	0	0	0	114.3
1071	S	33.8	Very low	34.5	Very low	116.4 Å²	116.4	121 Å²	121	81%	0.814	74%	0.739	S	S	*	*			trans	-135.1	132	-165	-174.4	0	0	0	0	114.7
1072	C	31.3	Very low	34.3	Very low	108.4 Å²	108.4	120 Å²	120	73%	0.732	74%	0.738	S	S	*	*			trans	144.1	140.8	147.4	60.9	0	0	0	0	114.5
1073	S	33.7	Very low	34.2	Very low	108.2 Å²	108.2	117.1 Å²	117.1	76%	0.757	73%	0.732	S	S	*	*				109	139.6	81.4	-46.6	0	0	0	0	114.5
1074	V	35.4	Very low	34.4	Very low	144.8 Å²	144.8	117.7 Å²	117.7	88%	0.878	73%	0.734	S	S	*	*				-132.9	137.3	116.5	-152.9	0	0	0	0	115.4
1075	G	34.5	Very low	34.2	Very low	72.2 Å²	72.2	113.9 Å²	113.9	74%	0.744	73%	0.726	S	S	*	*			trans	96.8	138.1	155.4	0	0	0	0	0	117.7
1076	D	32.8	Very low	34.1	Very low	143.2 Å²	143.2	111.7 Å²	111.7	77%	0.766	72%	0.719	S	S	*	*			cis	167.8	156.3	17.9	-151.3	-10.5	0	0	0	114.8
1077	S	34.1	Very low	34.6	Very low	83.6 Å²	83.6	110.2 Å²	110.2	59%	0.585	71%	0.711	S	S	*	*			trans	63.4	141.8	163.1	-52.5	0	0	0	0	119.1
1078	T	36.4	Very low	34.6	Very low	124 Å²	124	112.8 Å²	112.8	76%	0.761	72%	0.716	S	S	*	*			trans	-148.6	167.4	159	52.6	0	0	0	0	112.6
1079	P	38.1	Very low	34.6	Very low	105.4 Å²	105.4	109.7 Å²	109.7	68%	0.684	72%	0.715	S	S	*	*			cis	-125.1	-176.9	-44.4	34	-16.2	0	0	0	114
1080	V	34.1	Very low	34.6	Very low	117.6 Å²	117.6	110.9 Å²	110.9	71%	0.713	71%	0.711	S	S	*	*			trans	74.7	118.1	138.9	-177.7	0	0	0	0	116.4	K1050	K1050-V1080 HydrophobicContact CB-CG2 4.43Å; K1050-V1080 HydrophobicContact CD-CG2 4.15Å
1081	E	31.6	Very low	34.5	Very low	157.2 Å²	157.2	115.8 Å²	115.8	74%	0.735	71%	0.711	S	S	*	*				136.4	143.8	92	-128.4	-176.3	118.8	0	0	114.6
1082	L	33.1	Very low	34.6	Very low	136.2 Å²	136.2	115.6 Å²	115.6	71%	0.713	70%	0.701	S	S	*	*				112.3	120.6	115.2	-73.4	172.6	0	0	0	116.8
1083	T	35.2	Very low	35	Very low	107.2 Å²	107.2	118.7 Å²	118.7	66%	0.658	71%	0.705	S	S	*	*			trans	117.9	171.8	137.7	-39.4	0	0	0	0	116.7	I1047	I1047-T1083 HydrophobicContact CD1-CG2 4.31Å
1084	P	37.3	Very low	35.2	Very low	92.8 Å²	92.8	119.5 Å²	119.5	60%	0.603	70%	0.7	S	S	*	*				-133.9	-161.3	-54.7	41.6	-24.2	0	0	0	117.1	N681	N681-P1084 PolarHBondContact OD1-O 3.38Å
1085	C	30.5	Very low	35.4	Very low	97.2 Å²	97.2	116.3 Å²	116.3	66%	0.657	69%	0.689	S	S	*	*			trans	93.1	136.7	159.5	-66.9	0	0	0	0	120.7	N681 T682	N681-C1085 PolarHBondContact N-O 3.01Å; N681-C1085 PolarHBondContact OD1-O 2.87Å; N681-C1085 VanDerWaalsContact OD1-O 3.12Å; T682-C1085 HydrophobicContact CG2-CB 3.51Å
1086	G	33.3	Very low	35.7	Very low	52.6 Å²	52.6	117.2 Å²	117.2	54%	0.542	69%	0.685	S	S	.	*			trans	-132.6	-161.7	151.7	0	0	0	0	0	114.1	N681	N681-G1086 VanDerWaalsContact CA-N 3.34Å
1087	P	43.8	Very low	35.9	Very low	88.8 Å²	88.8	116.3 Å²	116.3	58%	0.577	68%	0.679	S	S	*	*			cis	-130.2	-175.5	-30.1	32.7	-15.7	0	0	0	117.6	T682	T682-P1087 VanDerWaalsContact C-CD 3.46Å
1088	H	34.7	Very low	36	Very low	170.2 Å²	170.2	119.2 Å²	119.2	79%	0.788	68%	0.683	S	S	*	*			trans	83.4	139.5	164.1	-74.2	-69.7	0	0	0	119.4
1089	G	33.5	Very low	35.9	Very low	68.2 Å²	68.2	117.8 Å²	117.8	70%	0.703	68%	0.678	S	S	*	*			cis	148.6	175.9	31.1	0	0	0	0	0	114.1
1090	Q	34.8	Very low	35.8	Very low	157 Å²	157	115.9 Å²	115.9	73%	0.734	68%	0.678	S	S	*	*			trans	149.6	155.5	-170.4	-143.1	-178.3	-42.3	0	0	112.5	D1092	Q1090-D1092 PolarHBondContact NE2-OD2 3.15Å; Q1090-D1092 VanDerWaalsContact NE2-OD2 3.17Å
1091	F	33.2	Very low	35.9	Very low	180 Å²	180	116 Å²	116	79%	0.789	68%	0.678	S	S	*	*				-161.3	158.5	113	10.8	-95.9	0	0	0	113.8
1092	D	36	Very low	35.9	Very low	113.2 Å²	113.2	115.3 Å²	115.3	61%	0.605	68%	0.68	S	S	*	*			trans	177.6	163.4	-169.9	-55.7	-53.7	0	0	0	115.3	Q1090 R1389	Q1090-D1092 PolarHBondContact NE2-OD2 3.15Å; Q1090-D1092 VanDerWaalsContact NE2-OD2 3.17Å; D1092-R1389 IonicContact OD1-CZ 3.78Å; D1092-R1389 IonicContact OD1-NH1 2.72Å; D1092-R1389 PolarHBondContact OD1-NH1 3.24Å; D1092-R1389 IonicContact OD1-NH2 3.02Å; D1092-R1389 PolarHBondContact OD1-NH2 2.96Å
1093	E	39.7	Very low	36.2	Very low	172.4 Å²	172.4	112 Å²	112	81%	0.806	68%	0.679	S	S	*	*				98.7	136	120.4	-77.3	-178.2	132.9	0	0	119.1
1094	D	38.1	Very low	36.2	Very low	124.8 Å²	124.8	114.7 Å²	114.7	67%	0.667	68%	0.683	S	S	*	*				131.1	158.7	98.5	-106.5	5.6	0	0	0	122.2
1095	A	39.1	Very low	36.1	Very low	78.4 Å²	78.4	116.2 Å²	116.2	65%	0.648	69%	0.687	S	S	*	*			trans	77.8	152.8	135.8	0	0	0	0	0	121.3
1096	S	40.2	Very low	36.4	Very low	92 Å²	92	117.3 Å²	117.3	64%	0.643	69%	0.686	S	S	*	*			cis	-175	155.6	-30	-175.8	0	0	0	0	113.7
1097	L	38	Very low	36.5	Very low	123.2 Å²	123.2	121.5 Å²	121.5	65%	0.645	70%	0.695	S	S	*	*			trans	69.8	141.4	151.8	-63.2	175.6	0	0	0	120.3	P876 G880 K881	P876-L1097 HydrophobicContact CB-CD1 4.26Å; P876-L1097 HydrophobicContact CG-CD1 3.35Å; P876-L1097 HydrophobicContact CG-CG 4.29Å; G880-L1097 VanDerWaalsContact O-CD1 3.3Å; G880-L1097 WeakPolarHBondContact O-CD1 3.48Å; G880-L1097 WeakPolarHBondContact O-CD2 3.41Å; G880-L1097 VanDerWaalsContact O-CG 3.24Å; G880-L1097 WeakPolarHBondContact O-CG 3.49Å; K881-L1097 HydrophobicContact CB-CD2 4.32Å; K881-L1097 HydrophobicContact CG-CD2 3.7Å
1098	H	35	Very low	36.1	Very low	144.2 Å²	144.2	122.3 Å²	122.3	67%	0.668	70%	0.703	S	S	*	*				152.9	-178.6	98.8	-97.9	3	0	0	0	115.7	K881	K881-H1098 VanDerWaalsContact CD-CE1 3.48Å; K881-H1098 WeakPolarHBondContact CD-CE1 3.48Å
1099	S	34.1	Very low	36	Very low	95.8 Å²	95.8	121.2 Å²	121.2	67%	0.67	70%	0.703	S	S	*	*				-177.3	152.6	-69.2	59.7	0	0	0	0	113.8
1100	G	35.8	Very low	36	Very low	65 Å²	65	128 Å²	128	67%	0.67	71%	0.709	S	S	*	*			trans	132.3	145.7	153.2	0	0	0	0	0	115
1101	V	36.3	Very low	36.1	Very low	120 Å²	120	125.1 Å²	125.1	73%	0.727	70%	0.703	S	S	*	*			cis	159.2	152.5	29	-73.9	0	0	0	0	112.7	K853	K853-V1101 HydrophobicContact CD-CG2 4.49Å; K853-V1101 VanDerWaalsContact CD-O 3.3Å; K853-V1101 WeakPolarHBondContact CD-O 3.17Å; K853-V1101 WeakPolarHBondContact CE-O 3.16Å; K853-V1101 HydrophobicContact CG-CG2 4.14Å; K853-V1101 PolarHBondContact NZ-O 3Å
1102	D	32.9	Very low	36	Very low	143 Å²	143	121.9 Å²	121.9	77%	0.765	70%	0.695	S	S	*	*				161.2	154.7	121.4	-73.9	-42.2	0	0	0	113.6	K853	K853-D1102 IonicContact NZ-OD1 3.83Å; K853-D1102 PolarHBondContact NZ-OD1 3.46Å
1103	G	38.3	Very low	35.8	Very low	66.8 Å²	66.8	127.5 Å²	127.5	69%	0.689	71%	0.708	S	S	*	*			trans	137.5	143.8	174	0	0	0	0	0	117.7	E854	E854-G1103 WeakPolarHBondContact OE1-CA 3.07Å; E854-G1103 WeakPolarHBondContact OE2-CA 3.49Å
1104	E	36.1	Very low	35.4	Very low	162.2 Å²	162.2	127.1 Å²	127.1	76%	0.758	70%	0.703	S	S	*	*				-137.2	173.6	-114.2	64.2	-158.6	82.1	0	0	114	E854 K857	E854-E1104 VanDerWaalsContact CD-CG 3.44Å; E854-E1104 HydrophobicContact CG-CG 4.48Å; E854-E1104 WeakPolarHBondContact OE1-CG 3.29Å; E854-E1104 PolarHBondContact OE1-N 3.46Å; E854-E1104 WeakPolarHBondContact OE2-CB 3.27Å; E854-E1104 VanDerWaalsContact OE2-CG 3.29Å; E854-E1104 WeakPolarHBondContact OE2-CG 3.18Å; E854-E1104 PolarHBondContact OE2-N 3.4Å; K857-E1104 WeakPolarHBondContact CE-OE1 3.3Å; K857-E1104 WeakPolarHBondContact CE-OE2 3.33Å; K857-E1104 VanDerWaalsContact NZ-CD 3.34Å; K857-E1104 IonicContact NZ-OE1 3.42Å; K857-E1104 IonicContact NZ-OE2 3.65Å; K857-E1104 PolarHBondContact NZ-OE2 2.95Å
1105	N	35.5	Very low	35.1	Very low	125 Å²	125	126 Å²	126	67%	0.668	71%	0.705	S	S	*	*			trans	117.7	129	154.2	-152	65.7	0	0	0	115.9	Q630	Q630-N1105 PolarHBondContact NE2-O 2.89Å; Q630-N1105 VanDerWaalsContact NE2-O 3.11Å; Q630-N1105 PolarHBondContact OE1-O 3.19Å
1106	D	35.8	Very low	34.9	Very low	121.2 Å²	121.2	128.5 Å²	128.5	65%	0.648	72%	0.715	S	S	*	*				82	169.5	125.4	-109.3	-26.6	0	0	0	118.3	Q630	Q630-D1106 VanDerWaalsContact NE2-N 3.16Å; Q630-D1106 PolarHBondContact NE2-O 3.36Å
1107	L	36.6	Very low	34.4	Very low	139.8 Å²	139.8	129.2 Å²	129.2	73%	0.732	72%	0.72	S	S	*	*			cis	159.6	130.2	-9.9	-124.2	90.8	0	0	0	115.2
1108	S	34.1	Very low	34.2	Very low	105.2 Å²	105.2	130.7 Å²	130.7	74%	0.736	73%	0.727	S	S	*	*			trans	95.1	135.4	138.8	66.2	0	0	0	0	118
1109	N	33.2	Very low	34	Very low	148.8 Å²	148.8	131.9 Å²	131.9	80%	0.796	73%	0.734	S	S	*	*			trans	-158.1	146.2	140.2	-157.4	-1.4	0	0	0	114.2
1110	Y	34.1	Very low	33.9	Very low	210.4 Å²	210.4	131.5 Å²	131.5	83%	0.825	73%	0.731	S	S	*	*			trans	-127.1	157.3	155.6	-118.3	-115.4	0	0	0	113.1	D1112	Y1110-D1112 HydrophobicContact CD1-CB 4.49Å; Y1110-D1112 HydrophobicContact CE1-CB 4.43Å; Y1110-D1112 PolarHBondContact O-N 3.27Å
1111	P	35.9	Very low	33.8	Very low	94.8 Å²	94.8	136.4 Å²	136.4	62%	0.616	74%	0.736	S	S	*	*			trans	-121.4	151.7	-139.7	30.5	-17.4	0	0	0	116.8
1112	D	31.5	Very low	33.8	Very low	113.2 Å²	113.2	138.9 Å²	138.9	61%	0.605	74%	0.74	S	S	*	*			trans	-71.8	142.1	158.5	176.2	32.3	0	0	0	113.8	Y1110 K1114	Y1110-D1112 HydrophobicContact CD1-CB 4.49Å; Y1110-D1112 HydrophobicContact CE1-CB 4.43Å; Y1110-D1112 PolarHBondContact O-N 3.27Å; D1112-K1114 VanDerWaalsContact C-N 3.32Å; D1112-K1114 PolarHBondContact O-N 2.87Å; D1112-K1114 PolarHBondContact OD1-N 3.48Å; D1112-K1114 IonicContact OD1-NZ 2.84Å; D1112-K1114 VanDerWaalsContact OD2-CE 3.27Å; D1112-K1114 WeakPolarHBondContact OD2-CE 3.26Å; D1112-K1114 WeakPolarHBondContact OD2-CG 3.35Å; D1112-K1114 IonicContact OD2-NZ 3.52Å; D1112-K1114 PolarHBondContact OD2-NZ 3.04Å
1113	W	31	Very low	33.9	Very low	231.6 Å²	231.6	139.8 Å²	139.8	88%	0.877	75%	0.745	S	S	*	*			trans	-116.4	105.8	176.5	-60.4	40.2	0	0	0	112.6
1114	K	31	Very low	33.7	Very low	164.2 Å²	164.2	139.9 Å²	139.9	71%	0.714	75%	0.746	S	S	*	*			trans	-87.9	142.7	166.9	-79.3	175.5	175.6	136.1	0	114.7	D1112 P1116	D1112-K1114 VanDerWaalsContact C-N 3.32Å; D1112-K1114 PolarHBondContact O-N 2.87Å; D1112-K1114 PolarHBondContact OD1-N 3.48Å; D1112-K1114 IonicContact OD1-NZ 2.84Å; D1112-K1114 VanDerWaalsContact OD2-CE 3.27Å; D1112-K1114 WeakPolarHBondContact OD2-CE 3.26Å; D1112-K1114 WeakPolarHBondContact OD2-CG 3.35Å; D1112-K1114 IonicContact OD2-NZ 3.52Å; D1112-K1114 PolarHBondContact OD2-NZ 3.04Å; K1114-P1116 VanDerWaalsContact O-CD 3.29Å; K1114-P1116 WeakPolarHBondContact O-CD 3.48Å
1115	S	33.6	Very low	33.3	Very low	100.4 Å²	100.4	137.5 Å²	137.5	70%	0.702	75%	0.746	S	S	*	*			trans	-53.7	148.1	172.1	-45.5	0	0	0	0	114.6	S1117	S1115-S1117 VanDerWaalsContact C-N 3.32Å; S1115-S1117 PolarHBondContact O-N 3.23Å
1116	P	34.1	Very low	33.1	Very low	131.2 Å²	131.2	138.6 Å²	138.6	85%	0.852	75%	0.751	S	S	*	*			trans	-97	133	144.5	6	11.5	0	0	0	112.2	K1114	K1114-P1116 VanDerWaalsContact O-CD 3.29Å; K1114-P1116 WeakPolarHBondContact O-CD 3.48Å
1117	S	30.6	Very low	32.8	Very low	107.6 Å²	107.6	137.1 Å²	137.1	75%	0.752	75%	0.75	S	S	*	*			trans	-112.7	155.7	174.2	-91.9	0	0	0	0	111.6	S1115	S1115-S1117 VanDerWaalsContact C-N 3.32Å; S1115-S1117 PolarHBondContact O-N 3.23Å
1118	L	31.9	Very low	32.7	Very low	154.2 Å²	154.2	137.1 Å²	137.1	81%	0.807	75%	0.748	S	S	*	*			trans	83	153.1	170.2	-56.6	175.1	0	0	0	113.6
1119	Q	31	Very low	32.7	Very low	170.4 Å²	170.4	139.8 Å²	139.8	80%	0.796	75%	0.749	S	S	*	*				173.7	154.7	59.7	-109.9	161.2	3.5	0	0	114.8
1120	S	33.1	Very low	32.5	Very low	87.2 Å²	87.2	140 Å²	140	61%	0.61	75%	0.75	S	S	*	*			trans	-131.9	159.9	-167.8	44.8	0	0	0	0	113.8
1121	E	34	Very low	32.5	Very low	168.2 Å²	168.2	133.2 Å²	133.2	79%	0.786	74%	0.744	S	S	*	*				170.2	165.4	62.5	-15	-132.2	87.9	0	0	115.5
1122	E	36	Very low	32.3	Very low	171.4 Å²	171.4	134.3 Å²	134.3	80%	0.801	75%	0.749	S	S	*	*			trans	60.1	142.9	145.1	80	-155.5	123	0	0	118.7
1123	D	35.4	Very low	32.4	Very low	162.8 Å²	162.8	139.5 Å²	139.5	87%	0.871	76%	0.76	S	S	*	*				154	162.4	84.8	-121.4	-7.7	0	0	0	117.4
1124	G	32.3	Very low	32.3	Very low	69 Å²	69	134.1 Å²	134.1	71%	0.711	75%	0.753	S	S	*	*			trans	105	98.1	157.1	0	0	0	0	0	118.8
1125	C	29.6	Very low	32.4	Very low	111.4 Å²	111.4	131.2 Å²	131.2	75%	0.753	75%	0.754	S	S	*	*				-138.6	127.9	126.6	-162.9	0	0	0	0	115.9
1126	N	29.8	Very low	32.2	Very low	147.6 Å²	147.6	133.9 Å²	133.9	79%	0.789	76%	0.759	S	S	*	*			trans	83.1	146.7	143.9	-70.6	-51.1	0	0	0	119.7
1127	S	30.2	Very low	31.9	Very low	89.2 Å²	89.2	132.8 Å²	132.8	62%	0.624	75%	0.753	S	S	*	*			cis	163.7	159.1	34.3	-152.6	0	0	0	0	114
1128	M	34.7	Very low	31.9	Very low	139.4 Å²	139.4	134.4 Å²	134.4	69%	0.687	75%	0.752	S	S	*	*			trans	88.6	132.9	158.4	-59.8	-72.8	90.8	0	0	115.6
1129	Q	33	Very low	31.8	Very low	163.6 Å²	163.6	131.8 Å²	131.8	76%	0.764	75%	0.746	S	S	*	*				111.3	134	52.1	-94	173	-5.5	0	0	114.5
1130	D	30.3	Very low	31.8	Very low	152.8 Å²	152.8	133.8 Å²	133.8	82%	0.817	75%	0.747	S	S	*	*				101.1	170.1	95.4	-150.6	-16	0	0	0	115.3	T1132	D1130-T1132 PolarHBondContact OD1-N 2.71Å; D1130-T1132 PolarHBondContact OD1-OG1 2.7Å
1131	G	32.8	Very low	31.6	Very low	66.4 Å²	66.4	135.6 Å²	135.6	69%	0.685	75%	0.75	S	S	*	*			trans	145	49.9	171.2	0	0	0	0	0	117.9	R1133	G1131-R1133 PolarHBondContact O-N 3.24Å
1132	T	33.3	Very low	31.5	Very low	118 Å²	118	132.2 Å²	132.2	72%	0.724	74%	0.744	S	S	*	*			trans	-26.5	137.9	159.9	30.7	0	0	0	0	117.2	D1130	D1130-T1132 PolarHBondContact OD1-N 2.71Å; D1130-T1132 PolarHBondContact OD1-OG1 2.7Å
1133	R	33.3	Very low	31.5	Very low	222.6 Å²	222.6	129.3 Å²	129.3	84%	0.84	74%	0.743	S	S	*	*				173.1	135.4	86	-102.3	170.4	107.3	163.6	2.3	116.2	G1131	G1131-R1133 PolarHBondContact O-N 3.24Å
1134	T	29.3	Very low	31.4	Very low	119 Å²	119	126.6 Å²	126.6	73%	0.73	74%	0.743	S	S	*	*			trans	16.9	132.7	145.1	51.6	0	0	0	0	120.3
1135	S	31.2	Very low	31.4	Very low	103.6 Å²	103.6	126.7 Å²	126.7	72%	0.724	75%	0.745	S	S	*	*				150.4	139.4	114.7	158.1	0	0	0	0	114.5
1136	L	29.8	Very low	31.5	Very low	156.2 Å²	156.2	126.6 Å²	126.6	82%	0.818	75%	0.745	S	S	*	*			trans	55.4	133.6	141.9	-62.4	152.5	0	0	0	116.1	I1138	L1136-I1138 HydrophobicContact CD2-CD1 4.21Å
1137	C	27.9	Very low	31.7	Very low	108.4 Å²	108.4	126.3 Å²	126.3	73%	0.732	75%	0.748	S	S	*	*				-168	161.3	61.9	52.5	0	0	0	0	109.7
1138	I	30.2	Very low	31.7	Very low	141.6 Å²	141.6	127.3 Å²	127.3	73%	0.726	76%	0.755	S	S	*	*				74	105.5	90.2	-58	166.7	0	0	0	113.2	L1136	L1136-I1138 HydrophobicContact CD2-CD1 4.21Å
1139	S	30	Very low	31.8	Very low	98.4 Å²	98.4	125.1 Å²	125.1	69%	0.688	76%	0.759	S	S	*	*				96.9	148.1	68	-69	0	0	0	0	118.1
1140	R	31	Very low	31.7	Very low	213.4 Å²	213.4	125.1 Å²	125.1	81%	0.805	77%	0.765	S	S	*	*			trans	81.9	140.4	147.5	-62.5	-179.6	-177.4	-174	0.8	118.8
1141	N	30.5	Very low	31.9	Very low	125.6 Å²	125.6	121.4 Å²	121.4	67%	0.672	76%	0.763	S	S	*	*			cis	155.1	150.6	45.1	-113.7	47	0	0	0	115.8
1142	S	31.5	Very low	31.8	Very low	95.2 Å²	95.2	127.5 Å²	127.5	67%	0.666	77%	0.77	S	S	*	*			trans	48.1	152.6	137.3	-52.7	0	0	0	0	116.9
1143	S	35.9	Very low	31.7	Very low	110.4 Å²	110.4	127.9 Å²	127.9	77%	0.772	77%	0.772	S	S	*	*				-154.2	150.9	111.9	55.7	0	0	0	0	113.4
1144	A	33.3	Very low	31.7	Very low	106.6 Å²	106.6	123.3 Å²	123.3	88%	0.881	77%	0.769	S	S	*	*			trans	173.5	151.3	174.4	0	0	0	0	0	112.9
1145	G	31.1	Very low	31.8	Very low	72.2 Å²	72.2	123.4 Å²	123.4	74%	0.744	77%	0.77	S	S	*	*			trans	149	145.1	152.9	0	0	0	0	0	112.6
1146	S	32.3	Very low	31.8	Very low	109.2 Å²	109.2	126 Å²	126	76%	0.764	78%	0.776	S	S	*	*			cis	-142.2	144.8	27.5	55.3	0	0	0	0	111.6
1147	V	33.4	Very low	31.8	Very low	140 Å²	140	125.6 Å²	125.6	85%	0.848	77%	0.774	S	S	*	*				-161.2	157.8	84.6	-117.7	0	0	0	0	110.1
1148	S	31.6	Very low	32.1	Very low	110.2 Å²	110.2	125.2 Å²	125.2	77%	0.771	77%	0.773	S	S	*	*			trans	-158.5	130.4	-160.9	-60.1	0	0	0	0	114
1149	A	35.8	Very low	32.1	Very low	93.4 Å²	93.4	124.8 Å²	124.8	77%	0.772	77%	0.772	S	S	*	*			trans	128.6	124.6	130.4	0	0	0	0	0	113.9
1150	N	31.7	Very low	32.3	Very low	164.2 Å²	164.2	131.2 Å²	131.2	88%	0.878	78%	0.781	S	S	*	*				108.8	122.6	54.6	-124.6	-7.2	0	0	0	116.3
1151	G	33.4	Very low	32.4	Very low	75 Å²	75	128.1 Å²	128.1	77%	0.773	78%	0.78	S	S	*	*			trans	155	127.6	164.9	0	0	0	0	0	115.3
1152	K	32.2	Very low	32.5	Very low	195 Å²	195	132.6 Å²	132.6	85%	0.848	79%	0.788	S	S	*	*			trans	-121.6	138.6	-145	-111.1	176.5	-178.2	175.2	0	114
1153	T	31	Very low	32.6	Very low	124.8 Å²	124.8	132.5 Å²	132.5	77%	0.766	79%	0.785	S	S	*	*			trans	110.5	123.5	149.5	43.6	0	0	0	0	117
1154	T	32.7	Very low	32.8	Very low	126.2 Å²	126.2	135.5 Å²	135.5	77%	0.774	79%	0.791	S	S	*	*				175.7	130	113.8	36.5	0	0	0	0	115.2
1155	T	31.4	Very low	33.2	Very low	121.6 Å²	121.6	137.7 Å²	137.7	75%	0.746	78%	0.781	S	S	*	*				109.9	127.1	115.5	50.3	0	0	0	0	118
1156	N	30.9	Very low	33.5	Very low	159 Å²	159	140.8 Å²	140.8	85%	0.85	78%	0.781	S	S	*	*			trans	89.6	112.9	139.7	-85	-18.5	0	0	0	116.8
1157	N	30.6	Very low	33.7	Very low	146.8 Å²	146.8	143.1 Å²	143.1	79%	0.785	78%	0.784	S	S	*	*				-160.7	126.5	118.9	-166.1	2.8	0	0	0	112.1	N1159	N1157-N1159 PolarHBondContact OD1-N 3.31Å
1158	S	33.9	Very low	33.9	Very low	99.6 Å²	99.6	139.1 Å²	139.1	70%	0.697	77%	0.771	S	S	*	*			trans	-138.7	113.9	159.1	-158.4	0	0	0	0	112.8	R1160	S1158-R1160 PolarHBondContact O-N 3.34Å; S1158-R1160 VanDerWaalsContact O-N 3.15Å
1159	N	30.6	Very low	34.1	Very low	133 Å²	133	142.1 Å²	142.1	71%	0.711	78%	0.776	S	S	*	*			trans	-54.2	125.7	172.4	-117.1	-12.3	0	0	0	112.7	N1157	N1157-N1159 PolarHBondContact OD1-N 3.31Å
1160	R	34.2	Very low	34.2	Very low	233.4 Å²	233.4	140.7 Å²	140.7	88%	0.881	77%	0.771	S	S	*	*			trans	-133.9	76.7	166.8	-82.2	-166.2	166	-176.9	-2.9	112.3	S1158 R1162	S1158-R1160 PolarHBondContact O-N 3.34Å; S1158-R1160 VanDerWaalsContact O-N 3.15Å; R1160-R1162 PolarHBondContact O-N 3.32Å
1161	N	31.6	Very low	34.5	Very low	147.8 Å²	147.8	136.3 Å²	136.3	79%	0.79	76%	0.764	S	S	*	*			trans	-56.7	123.3	157.5	-69.7	3	0	0	0	109.3	P1163	N1161-P1163 WeakPolarHBondContact O-CD 3.49Å
1162	R	33.4	Very low	34.6	Very low	221.6 Å²	221.6	141.6 Å²	141.6	84%	0.836	77%	0.766	S	S	*	*			trans	-105	115.5	166.8	-166.7	176.2	-94	-155.7	-0.1	107.9	D751 R1160 L1164	D751-R1162 IonicContact OD1-CZ 2.75Å; D751-R1162 IonicContact OD1-NH1 3.87Å; D751-R1162 PolarHBondContact OD1-NH1 3.18Å; D751-R1162 IonicContact OD1-NH2 2.8Å; D751-R1162 PolarHBondContact OD1-NH2 2.55Å; D751-R1162 IonicContact OD2-NH2 3.22Å; R1160-R1162 PolarHBondContact O-N 3.32Å; R1162-L1164 PolarHBondContact O-N 2.87Å
1163	P	34.3	Very low	35	Very low	92.2 Å²	92.2	143 Å²	143	60%	0.599	77%	0.766	S	S	*	*			trans	-77.7	141.3	-174.5	30.6	-34.5	0	0	0	111.8	N1161 K1165	N1161-P1163 WeakPolarHBondContact O-CD 3.49Å; P1163-K1165 HydrophobicContact CB-CG 4.35Å; P1163-K1165 HydrophobicContact CG-CD 4.16Å; P1163-K1165 HydrophobicContact CG-CG 4.34Å; P1163-K1165 PolarHBondContact O-N 3.15Å; P1163-K1165 VanDerWaalsContact O-N 3.07Å
1164	L	39.9	Very low	35.4	Very low	173 Å²	173	141.3 Å²	141.3	91%	0.906	77%	0.765	S	S	*	*	S	Bend	trans	-73.8	105.8	171.7	-74.7	147.6	0	0	0	111	R1162 N1166 L1167	R1162-L1164 PolarHBondContact O-N 2.87Å; L1164-N1166 PolarHBondContact O-N 3.13Å; L1164-L1167 PolarHBondContact O-N 2.94Å
1165	K	40.8	Very low	35.7	Very low	153.2 Å²	153.2	144.7 Å²	144.7	67%	0.666	77%	0.769	S	S	*	*			trans	-132.8	130.8	177.2	-26.5	-170.8	179.3	-175.7	0	111.9	P1163	P1163-K1165 HydrophobicContact CB-CG 4.35Å; P1163-K1165 HydrophobicContact CG-CD 4.16Å; P1163-K1165 HydrophobicContact CG-CG 4.34Å; P1163-K1165 PolarHBondContact O-N 3.15Å; P1163-K1165 VanDerWaalsContact O-N 3.07Å
1166	N	37	Very low	36.2	Very low	137.2 Å²	137.2	144.6 Å²	144.6	73%	0.734	77%	0.771	S	S	*	*			trans	73.9	68.8	173.4	-58.4	-9.5	0	0	0	115.6	L1164 G1168	L1164-N1166 PolarHBondContact O-N 3.13Å; N1166-G1168 PolarHBondContact O-N 3.17Å
1167	L	37.8	Very low	36.4	Very low	158.8 Å²	158.8	144.6 Å²	144.6	83%	0.831	77%	0.77	S	S	*	*			trans	-103	125.6	151.3	-80.7	167.5	0	0	0	107.9	L1164 G1171	L1164-L1167 PolarHBondContact O-N 2.94Å; L1167-G1171 WeakPolarHBondContact CD2-O 3.09Å
1168	G	36.5	Very low	36.6	Very low	55.4 Å²	55.4	148.2 Å²	148.2	57%	0.571	77%	0.773	S	S	*	*			trans	-119.8	164	176.4	0	0	0	0	0	111.8	N1166 G1170 G1171 F1172	N1166-G1168 PolarHBondContact O-N 3.17Å; G1168-G1170 PolarHBondContact O-N 3.4Å; G1168-G1171 PolarHBondContact O-N 2.77Å; G1168-F1172 PolarHBondContact N-O 3.02Å
1169	I	36.8	Very low	36.6	Very low	172 Å²	172	153.9 Å²	153.9	88%	0.882	78%	0.779	S	S	*	*	S	Bend	trans	-30.7	134.9	179.2	-75.3	77.9	0	0	0	112.3
1170	G	37.4	Very low	36.9	Very low	65 Å²	65	155.1 Å²	155.1	67%	0.67	79%	0.785	S	S	*	*			trans	107.4	52.3	165.7	0	0	0	0	0	117.5	G1168 F1172	G1168-G1170 PolarHBondContact O-N 3.4Å; G1170-F1172 VanDerWaalsContact C-N 3.32Å; G1170-F1172 WeakPolarHBondContact O-CD2 3.42Å; G1170-F1172 PolarHBondContact O-N 3.24Å
1171	G	37.8	Very low	36.9	Very low	70.8 Å²	70.8	152.2 Å²	152.2	73%	0.73	78%	0.781	S	S	*	*			trans	79	5.1	168.2	0	0	0	0	0	118.9	L1167 G1168 R1173	L1167-G1171 WeakPolarHBondContact CD2-O 3.09Å; G1168-G1171 PolarHBondContact O-N 2.77Å; G1171-R1173 VanDerWaalsContact C-N 3.33Å; G1171-R1173 PolarHBondContact O-N 3.45Å
1172	F	36.2	Very low	37.2	Very low	187.4 Å²	187.4	151.2 Å²	151.2	82%	0.822	78%	0.781	S	S	*	*			trans	-82.6	112.5	-176.9	-71.6	-76.1	0	0	0	113.2	G1168 G1170 A1174	G1168-F1172 PolarHBondContact N-O 3.02Å; G1170-F1172 VanDerWaalsContact C-N 3.32Å; G1170-F1172 WeakPolarHBondContact O-CD2 3.42Å; G1170-F1172 PolarHBondContact O-N 3.24Å; F1172-A1174 PolarHBondContact O-N 3.1Å; F1172-A1174 VanDerWaalsContact O-N 3.14Å
1173	R	41.3	Very low	37.4	Very low	224.4 Å²	224.4	150.5 Å²	150.5	85%	0.847	78%	0.784	S	S	*	*			trans	-75.9	101.6	168.2	-77.9	-179.7	166.1	-101.1	0.2	110.4	G1171 K1175	G1171-R1173 VanDerWaalsContact C-N 3.33Å; G1171-R1173 PolarHBondContact O-N 3.45Å; R1173-K1175 PolarHBondContact O-N 3Å; R1173-K1175 VanDerWaalsContact O-N 3.15Å
1174	A	37.4	Very low	37.6	Very low	89 Å²	89	155.7 Å²	155.7	74%	0.736	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-54.2	118.8	166.7	0	0	0	0	0	110.3	F1172 P1176	F1172-A1174 PolarHBondContact O-N 3.1Å; F1172-A1174 VanDerWaalsContact O-N 3.14Å; A1174-P1176 VanDerWaalsContact O-CD 3.25Å; A1174-P1176 WeakPolarHBondContact O-CD 3.31Å
1175	K	39.6	Very low	37.5	Very low	197.2 Å²	197.2	154.8 Å²	154.8	86%	0.857	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-76	120.9	172.9	-71.4	173.3	-179.1	167	0	108.1	R1173 N1177	R1173-K1175 PolarHBondContact O-N 3Å; R1173-K1175 VanDerWaalsContact O-N 3.15Å; K1175-N1177 PolarHBondContact O-N 3.04Å
1176	P	41.7	Very low	37.2	Very low	120.4 Å²	120.4	156.2 Å²	156.2	78%	0.782	80%	0.801	S	S	*	*			trans	-65.6	126.2	174.4	27.3	-33.3	0	0	0	109.6	A1174 R1178	A1174-P1176 VanDerWaalsContact O-CD 3.25Å; A1174-P1176 WeakPolarHBondContact O-CD 3.31Å; P1176-R1178 PolarHBondContact O-N 3.19Å
1177	N	35.7	Very low	37.1	Very low	158 Å²	158	157.6 Å²	157.6	85%	0.845	81%	0.807	S	S	*	*			trans	-68.2	121.5	-174.2	-161.4	-5.8	0	0	0	110.9	K1175 W1179	K1175-N1177 PolarHBondContact O-N 3.04Å; N1177-W1179 VanDerWaalsContact C-N 3.27Å; N1177-W1179 PolarHBondContact O-N 3.14Å
1178	R	34	Very low	37	Very low	222.6 Å²	222.6	154.8 Å²	154.8	84%	0.84	81%	0.807	S	S	*	*	S	Bend	trans	-90.6	58.2	-162.3	-162.5	-172.3	-177.1	-164	-0.8	112.9	P1176 L1180	P1176-R1178 PolarHBondContact O-N 3.19Å; R1178-L1180 VanDerWaalsContact C-N 3.35Å; R1178-L1180 PolarHBondContact O-N 2.8Å
1179	W	33.8	Very low	37	Very low	219.6 Å²	219.6	156.8 Å²	156.8	83%	0.832	82%	0.818	S	S	*	*			trans	-108.1	77.6	174.9	-174.4	-84.5	0	0	0	111.3	N1177 Q1181	N1177-W1179 VanDerWaalsContact C-N 3.27Å; N1177-W1179 PolarHBondContact O-N 3.14Å; W1179-Q1181 VanDerWaalsContact C-N 3.32Å; W1179-Q1181 PolarHBondContact O-N 2.89Å; W1179-Q1181 VanDerWaalsContact O-N 3.12Å
1180	L	37.9	Very low	37.1	Very low	158 Å²	158	153.4 Å²	153.4	83%	0.827	82%	0.816	S	S	*	*			trans	-165.3	54.9	167.5	-103.5	102.7	0	0	0	114.3	R1178	R1178-L1180 VanDerWaalsContact C-N 3.35Å; R1178-L1180 PolarHBondContact O-N 2.8Å
1181	Q	33.7	Very low	37	Very low	171.6 Å²	171.6	155.2 Å²	155.2	80%	0.802	82%	0.818	S	S	*	*			trans	-109	63.1	174.7	-84.6	-173.4	-8.3	0	0	114.5	W1179	W1179-Q1181 VanDerWaalsContact C-N 3.32Å; W1179-Q1181 PolarHBondContact O-N 2.89Å; W1179-Q1181 VanDerWaalsContact O-N 3.12Å
1182	T	38.2	Very low	37	Very low	127.8 Å²	127.8	158.2 Å²	158.2	78%	0.784	82%	0.817	S	S	*	*			trans	-141	114.6	160.9	-39.5	0	0	0	0	111.3	K1184	T1182-K1184 PolarHBondContact O-N 3.45Å
1183	K	38	Very low	37	Very low	207 Å²	207	156.9 Å²	156.9	90%	0.9	81%	0.814	S	S	*	*	S	Bend	trans	-100.9	57.6	178.6	-88.3	177.4	-178.8	177.6	0	116.4
1184	K	37.2	Very low	36.6	Very low	201.4 Å²	201.4	155.5 Å²	155.5	88%	0.876	81%	0.814	S	S	*	*			trans	-154.9	55.1	156.1	-147.7	177.3	-178.5	178.8	0	115.4	T1182	T1182-K1184 PolarHBondContact O-N 3.45Å
1185	I	38.2	Very low	36.5	Very low	154.2 Å²	154.2	157 Å²	157	79%	0.791	81%	0.813	S	S	*	*			trans	-143.5	91.8	156.4	-61.4	177	0	0	0	109.3
1186	Q	35.7	Very low	36.2	Very low	183 Å²	183	150.7 Å²	150.7	86%	0.855	81%	0.805	S	S	*	*			trans	165.5	109.8	158.4	-99.4	166.6	31.4	0	0	111.4
1187	L	35	Very low	36	Very low	166.6 Å²	166.6	150.4 Å²	150.4	87%	0.872	80%	0.803	S	S	*	*			trans	-173.5	75.3	166.2	-110.4	159.3	0	0	0	110.8
1188	A	34.8	Very low	35.8	Very low	99.6 Å²	99.6	150.2 Å²	150.2	82%	0.823	80%	0.801	S	S	*	*			trans	-174.2	74.3	157.2	0	0	0	0	0	113.4
1189	A	36.1	Very low	35.9	Very low	97.4 Å²	97.4	145.2 Å²	145.2	81%	0.805	80%	0.795	S	S	*	*			trans	-169.8	122.3	144.7	0	0	0	0	0	111.6
1190	A	38.5	Very low	36.1	Very low	100.8 Å²	100.8	139.6 Å²	139.6	83%	0.833	79%	0.79	S	S	*	*			trans	171.2	123.8	173.6	0	0	0	0	0	112.5
1191	S	37.3	Very low	36	Very low	102.4 Å²	102.4	139 Å²	139	72%	0.716	79%	0.787	S	S	*	*			trans	-155.6	146.1	151.3	57.8	0	0	0	0	111.2
1192	D	35.9	Very low	36.1	Very low	134.4 Å²	134.4	138.1 Å²	138.1	72%	0.719	79%	0.788	S	S	*	*				115.9	160.1	117.3	-92.3	-63.6	0	0	0	117.4
1193	H	38	Very low	36.2	Very low	160.4 Å²	160.4	141.1 Å²	141.1	74%	0.743	79%	0.79	S	S	*	*			trans	83.9	143.4	176.4	-74.5	-37.8	0	0	0	116.3
1194	F	32.6	Very low	36	Very low	194.8 Å²	194.8	142.9 Å²	142.9	85%	0.854	79%	0.791	S	S	*	*				-167.7	158.1	102.4	-136.6	-113.3	0	0	0	113.3
1195	V	35.4	Very low	35.9	Very low	119.8 Å²	119.8	144.6 Å²	144.6	73%	0.726	79%	0.792	S	S	*	*			trans	-106	151	168.1	163.2	0	0	0	0	112.9
1196	G	33	Very low	35.7	Very low	65.2 Å²	65.2	148.6 Å²	148.6	67%	0.672	80%	0.797	S	S	*	*			trans	-145.9	-166.4	147.9	0	0	0	0	0	114.1
1197	P	37	Very low	36	Very low	114.4 Å²	114.4	148.7 Å²	148.7	74%	0.743	80%	0.798	S	S	*	*				-136.8	175.9	-125.2	44.4	-29.1	0	0	0	118.2
1198	L	32.3	Very low	36.2	Very low	153.8 Å²	153.8	148.3 Å²	148.3	81%	0.805	80%	0.796	S	S	*	*			trans	89.2	154.1	154.4	-72.9	167.5	0	0	0	119.4	S661	S661-L1198 WeakPolarHBondContact CB-O 3.19Å; S661-L1198 PolarHBondContact OG-O 3.04Å
1199	T	36.1	Very low	36.9	Very low	117.8 Å²	117.8	153.4 Å²	153.4	72%	0.723	80%	0.8	S	S	*	*				-176.9	141.4	129.5	43.7	0	0	0	0	117.7	S661	S661-T1199 CarbonylContact C-O 3.58Å; S661-T1199 VanDerWaalsContact CB-C 3.44Å; S661-T1199 WeakPolarHBondContact CB-O 3.29Å; S661-T1199 CarbonylContact O-C 3.25Å
1200	S	38.4	Very low	37.9	Very low	102.2 Å²	102.2	157.9 Å²	157.9	72%	0.715	80%	0.801	S	S	*	*				161.3	146.2	128.3	47.1	0	0	0	0	115.9	S661 R663	S661-S1200 CarbonylContact O-C 3.58Å; S661-S1200 WeakPolarHBondContact O-CA 3.13Å; S661-S1200 PolarHBondContact O-N 2.93Å; R663-S1200 PolarHBondContact O-OG 2.9Å
1201	D	34.9	Very low	39	Very low	143.4 Å²	143.4	158.6 Å²	158.6	77%	0.767	79%	0.785	S	S	*	*			trans	-59.4	141.3	145	-89.8	-80.2	0	0	0	115.7	K1203	D1201-K1203 VanDerWaalsContact C-N 3.25Å; D1201-K1203 PolarHBondContact O-N 3.49Å
1202	N	36.6	Very low	40.5	Very low	153.4 Å²	153.4	156.4 Å²	156.4	82%	0.82	77%	0.77	S	S	*	*			trans	-131.5	125.7	146.6	-113.5	-56.9	0	0	0	114.7	R1204	N1202-R1204 PolarHBondContact O-N 3.12Å
1203	K	39.8	Very low	42.1	Very low	190.4 Å²	190.4	157.2 Å²	157.2	83%	0.828	77%	0.77	S	S	*	*			trans	-166.3	99.9	158.2	-153.3	173.9	-175.5	172.2	0	116.9	D1201 R1205	D1201-K1203 VanDerWaalsContact C-N 3.25Å; D1201-K1203 PolarHBondContact O-N 3.49Å; K1203-R1205 PolarHBondContact O-N 2.94Å
1204	R	33.6	Very low	43.5	Very low	245.8 Å²	245.8	152.8 Å²	152.8	93%	0.928	75%	0.751	S	S	*	*			trans	-17.8	121.9	154.9	-81.9	173.7	147.3	-173.5	-3.9	117.7	N1202 R1206	N1202-R1204 PolarHBondContact O-N 3.12Å; R1204-R1206 PolarHBondContact O-N 3.42Å
1205	R	34.3	Very low	45.3	Very low	237.6 Å²	237.6	145.6 Å²	145.6	90%	0.897	72%	0.72	S	S	*	*			trans	-151.1	127.7	140.9	-163.3	172.6	165.4	-178.6	0.6	112.5	K1203	K1203-R1205 PolarHBondContact O-N 2.94Å
1206	R	34.2	Very low	47.1	Very low	237.4 Å²	237.4	144.6 Å²	144.6	90%	0.896	71%	0.711	S	S	*	*			trans	-72.1	139.8	174.8	-74.4	179.5	170.3	-179.1	-4.8	110.2	R1204	R1204-R1206 PolarHBondContact O-N 3.42Å
1207	Q	42.5	Very low	49.4	Very low	185.8 Å²	185.8	147.7 Å²	147.7	87%	0.868	71%	0.708	S	S	*	*			trans	-111.6	146.5	161	-78.7	-178.7	-27.4	0	0	109.4
1208	N	38.6	Very low	51.4	Low	157.6 Å²	157.6	148.2 Å²	148.2	84%	0.843	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-73.2	140.6	179.8	-70.8	-19.5	0	0	0	110.5	K1210	N1208-K1210 PolarHBondContact O-N 2.89Å
1209	K	48.9	Very low	53.9	Low	207.6 Å²	207.6	143.7 Å²	143.7	90%	0.903	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-66.3	126.6	169.9	-102.2	-178.7	175.5	-174.4	0	108.6	K1211	K1209-K1211 PolarHBondContact O-N 3.14Å
1210	K	57.6	Low	55.7	Low	190.2 Å²	190.2	142.8 Å²	142.8	83%	0.827	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-56.9	140	169.5	-70.8	-172.5	176.5	-174	0	109	N1208	N1208-K1210 PolarHBondContact O-N 2.89Å
1211	K	61	Low	57.7	Low	115.6 Å²	115.6	145.5 Å²	145.5	50%	0.503	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-62.8	155.5	165.1	-117.7	171.1	177.7	-145.9	0	108.8	K1209 E1215 D1216	K1209-K1211 PolarHBondContact O-N 3.14Å; K1211-E1215 HydrophobicContact CB-CB 4.04Å; K1211-E1215 HydrophobicContact CD-CB 4.03Å; K1211-E1215 WeakPolarHBondContact CD-OE2 3.34Å; K1211-E1215 WeakPolarHBondContact CE-O 3.39Å; K1211-E1215 WeakPolarHBondContact CE-OE2 3.44Å; K1211-E1215 HydrophobicContact CG-CB 3.91Å; K1211-E1215 PolarHBondContact NZ-O 3.06Å; K1211-D1216 WeakPolarHBondContact CB-OD2 3.44Å; K1211-D1216 VanDerWaalsContact CD-OD1 3.29Å; K1211-D1216 WeakPolarHBondContact CD-OD1 3.28Å; K1211-D1216 WeakPolarHBondContact CE-OD1 3.24Å; K1211-D1216 WeakPolarHBondContact CG-OD1 3.36Å; K1211-D1216 IonicContact NZ-OD1 3.07Å; K1211-D1216 PolarHBondContact NZ-OD1 3.17Å
1212	S	69.6	Low	59.9	Low	57.4 Å²	57.4	141.4 Å²	141.4	40%	0.401	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-75.8	140.9	170.6	54.9	0	0	0	0	109.8	L1214 E1215 D1216	S1212-L1214 PolarHBondContact O-N 3.27Å; S1212-L1214 VanDerWaalsContact O-N 3.07Å; S1212-E1215 WeakPolarHBondContact CB-OE2 3.4Å; S1212-E1215 PolarHBondContact N-OE2 2.87Å; S1212-E1215 WeakPolarHBondContact O-CA 3.39Å; S1212-E1215 WeakPolarHBondContact O-CB 3.41Å; S1212-E1215 PolarHBondContact O-N 3.29Å; S1212-E1215 WeakPolarHBondContact OG-CG 3.24Å; S1212-E1215 PolarHBondContact OG-N 2.89Å; S1212-E1215 PolarHBondContact OG-OE2 3.35Å; S1212-D1216 PolarHBondContact O-N 3.23Å
1213	E	70.1	Confident	62.1	Low	151.6 Å²	151.6	134.6 Å²	134.6	71%	0.708	60%	0.603	S	S	*	*	H	α-helix	trans	-47.6	-31.8	177.2	-168.7	166.8	-151	0	0	113.6	E1215 D1216 H1217	E1213-E1215 PolarHBondContact O-N 3.26Å; E1213-D1216 PolarHBondContact O-N 3.12Å; E1213-D1216 VanDerWaalsContact O-N 3.11Å; E1213-H1217 VanDerWaalsContact CG-CE1 3.4Å; E1213-H1217 WeakPolarHBondContact CG-CE1 3.27Å; E1213-H1217 VanDerWaalsContact CG-ND1 3.29Å; E1213-H1217 WeakPolarHBondContact CG-ND1 3.34Å; E1213-H1217 PolarHBondContact O-N 2.97Å; E1213-H1217 VanDerWaalsContact O-N 3.1Å; E1213-H1217 PolarHBondContact O-ND1 3.12Å; E1213-H1217 IonicContact OE1-CE1 2.96Å; E1213-H1217 PolarHBondContact OE1-CE1 3.15Å
1214	L	66.5	Low	64.1	Low	67.2 Å²	67.2	131.2 Å²	131.2	35%	0.352	59%	0.588	S	S	.	*	H	α-helix	trans	-68.1	-30.2	174.7	-167.6	70.8	0	0	0	114.3	S1212 D1216 Y1218 M1223 Y1227	S1212-L1214 PolarHBondContact O-N 3.27Å; S1212-L1214 VanDerWaalsContact O-N 3.07Å; L1214-D1216 VanDerWaalsContact C-N 3.3Å; L1214-D1216 PolarHBondContact O-N 2.91Å; L1214-Y1218 HydrophobicContact CD1-CD2 4.05Å; L1214-Y1218 HydrophobicContact CD1-CE2 4.1Å; L1214-M1223 HydrophobicContact CD2-CE 4.35Å; L1214-M1223 HydrophobicContact CG-CE 4.32Å; L1214-M1223 WeakPolarHBondContact O-CE 3.4Å; L1214-Y1227 HydrophobicContact CD1-CE2 4.38Å; L1214-Y1227 HydrophobicContact CD2-CE2 4.04Å; L1214-Y1227 HydrophobicContact CG-CE2 4.39Å
1215	E	71.5	Confident	66.2	Low	43 Å²	43	122.7 Å²	122.7	20%	0.201	57%	0.57	C	S	.	*	H	α-helix	trans	-80.4	-11.7	174.7	-72.5	-178.5	153.1	0	0	112.8	K1211 S1212 E1213 M1223 R1236	K1211-E1215 HydrophobicContact CB-CB 4.04Å; K1211-E1215 HydrophobicContact CD-CB 4.03Å; K1211-E1215 WeakPolarHBondContact CD-OE2 3.34Å; K1211-E1215 WeakPolarHBondContact CE-O 3.39Å; K1211-E1215 WeakPolarHBondContact CE-OE2 3.44Å; K1211-E1215 HydrophobicContact CG-CB 3.91Å; K1211-E1215 PolarHBondContact NZ-O 3.06Å; S1212-E1215 WeakPolarHBondContact CB-OE2 3.4Å; S1212-E1215 PolarHBondContact N-OE2 2.87Å; S1212-E1215 WeakPolarHBondContact O-CA 3.39Å; S1212-E1215 WeakPolarHBondContact O-CB 3.41Å; S1212-E1215 PolarHBondContact O-N 3.29Å; S1212-E1215 WeakPolarHBondContact OG-CG 3.24Å; S1212-E1215 PolarHBondContact OG-N 2.89Å; S1212-E1215 PolarHBondContact OG-OE2 3.35Å; E1213-E1215 PolarHBondContact O-N 3.26Å; E1215-M1223 HydrophobicContact CB-CE 4.33Å; E1215-M1223 HydrophobicContact CB-SD 4.44Å; E1215-M1223 HydrophobicContact CG-CE 3.76Å; E1215-M1223 HydrophobicContact CG-SD 4.14Å; E1215-R1236 IonicContact OE1-CZ 2.94Å; E1215-R1236 VanDerWaalsContact OE1-CZ 3.23Å; E1215-R1236 IonicContact OE1-NE 3.15Å; E1215-R1236 PolarHBondContact OE1-NE 3.31Å; E1215-R1236 IonicContact OE1-NH1 2.69Å; E1215-R1236 PolarHBondContact OE1-NH1 3.1Å; E1215-R1236 IonicContact OE1-NH2 3.24Å; E1215-R1236 PolarHBondContact OE1-NH2 3.08Å; E1215-R1236 IonicContact OE2-CZ 3.78Å; E1215-R1236 IonicContact OE2-NH2 3.08Å; E1215-R1236 PolarHBondContact OE2-NH2 3.21Å
1216	D	72.9	Confident	68.2	Low	98.6 Å²	98.6	118.1 Å²	118.1	53%	0.527	56%	0.557	S	S	.	*	H	α-helix	trans	-102.7	-25	-179.2	-67.3	-44.1	0	0	0	112.7	K1211 S1212 E1213 L1214	K1211-D1216 WeakPolarHBondContact CB-OD2 3.44Å; K1211-D1216 VanDerWaalsContact CD-OD1 3.29Å; K1211-D1216 WeakPolarHBondContact CD-OD1 3.28Å; K1211-D1216 WeakPolarHBondContact CE-OD1 3.24Å; K1211-D1216 WeakPolarHBondContact CG-OD1 3.36Å; K1211-D1216 IonicContact NZ-OD1 3.07Å; K1211-D1216 PolarHBondContact NZ-OD1 3.17Å; S1212-D1216 PolarHBondContact O-N 3.23Å; E1213-D1216 PolarHBondContact O-N 3.12Å; E1213-D1216 VanDerWaalsContact O-N 3.11Å; L1214-D1216 VanDerWaalsContact C-N 3.3Å; L1214-D1216 PolarHBondContact O-N 2.91Å
1217	H	81	Confident	70.4	Confident	131.8 Å²	131.8	111.7 Å²	111.7	61%	0.61	53%	0.534	S	S	*	.	H	α-helix	trans	-88	-18.9	176.4	-74	90.5	0	0	0	115.1	E1213	E1213-H1217 VanDerWaalsContact CG-CE1 3.4Å; E1213-H1217 WeakPolarHBondContact CG-CE1 3.27Å; E1213-H1217 VanDerWaalsContact CG-ND1 3.29Å; E1213-H1217 WeakPolarHBondContact CG-ND1 3.34Å; E1213-H1217 PolarHBondContact O-N 2.97Å; E1213-H1217 VanDerWaalsContact O-N 3.1Å; E1213-H1217 PolarHBondContact O-ND1 3.12Å; E1213-H1217 IonicContact OE1-CE1 2.96Å; E1213-H1217 PolarHBondContact OE1-CE1 3.15Å
1218	Y	79.2	Confident	72	Confident	124.2 Å²	124.2	104.2 Å²	104.2	49%	0.487	51%	0.507	S	S	.	.	S	Bend	trans	-126.5	131.6	-173.5	-66	-81.4	0	0	0	112.7	L1214 L1222 M1223	L1214-Y1218 HydrophobicContact CD1-CD2 4.05Å; L1214-Y1218 HydrophobicContact CD1-CE2 4.1Å; Y1218-L1222 HydrophobicContact CD1-CD1 4.39Å; Y1218-M1223 WeakPolarHBondContact O-CG 3.46Å
1219	P	84.5	Confident	73.8	Confident	59.8 Å²	59.8	99.4 Å²	99.4	39%	0.388	49%	0.489	S	S	.	.			trans	-56	147.2	172	-27.6	35.5	0	0	0	113.1	Y1221 L1222 M1223	P1219-Y1221 VanDerWaalsContact C-N 3.27Å; P1219-Y1221 HydrophobicContact CB-CD1 3.59Å; P1219-Y1221 HydrophobicContact CB-CE1 3.3Å; P1219-Y1221 HydrophobicContact CB-CG 4.47Å; P1219-Y1221 HydrophobicContact CG-CE1 3.95Å; P1219-Y1221 PolarHBondContact O-N 3.15Å; P1219-Y1221 VanDerWaalsContact O-N 3.08Å; P1219-L1222 HydrophobicContact CB-CB 4.47Å; P1219-L1222 HydrophobicContact CG-CD1 4.25Å; P1219-L1222 WeakPolarHBondContact O-CB 3.3Å; P1219-L1222 PolarHBondContact O-N 3.02Å; P1219-L1222 VanDerWaalsContact O-N 3.11Å; P1219-M1223 WeakPolarHBondContact O-CG 3.43Å; P1219-M1223 PolarHBondContact O-N 2.97Å
1220	N	73.6	Confident	75	Confident	97.6 Å²	97.6	94.6 Å²	94.6	52%	0.522	48%	0.48	S	S	.	.	H	α-helix	trans	-61.4	-25.3	-175.6	-116.4	-107.9	0	0	0	113.8	M1223 K1224	N1220-M1223 PolarHBondContact O-N 2.89Å; N1220-K1224 WeakPolarHBondContact O-CB 3.23Å; N1220-K1224 WeakPolarHBondContact O-CD 3.46Å; N1220-K1224 WeakPolarHBondContact O-CG 3.35Å; N1220-K1224 PolarHBondContact O-N 3.15Å; N1220-K1224 VanDerWaalsContact O-N 3.14Å
1221	Y	80.9	Confident	75.7	Confident	160 Å²	160	91 Å²	91	63%	0.627	47%	0.47	S	S	*	.	H	α-helix	trans	-73.2	-42.9	173.9	71.5	-93.6	0	0	0	112	P1219 M1223 K1224 A1225	P1219-Y1221 VanDerWaalsContact C-N 3.27Å; P1219-Y1221 HydrophobicContact CB-CD1 3.59Å; P1219-Y1221 HydrophobicContact CB-CE1 3.3Å; P1219-Y1221 HydrophobicContact CB-CG 4.47Å; P1219-Y1221 HydrophobicContact CG-CE1 3.95Å; P1219-Y1221 PolarHBondContact O-N 3.15Å; P1219-Y1221 VanDerWaalsContact O-N 3.08Å; Y1221-M1223 VanDerWaalsContact C-N 3.31Å; Y1221-M1223 PolarHBondContact O-N 3.28Å; Y1221-K1224 CarbonylContact O-C 3.58Å; Y1221-K1224 WeakPolarHBondContact O-CA 3.37Å; Y1221-K1224 WeakPolarHBondContact O-CB 3.24Å; Y1221-K1224 PolarHBondContact O-N 3.13Å; Y1221-K1224 VanDerWaalsContact O-N 3.12Å; Y1221-A1225 WeakPolarHBondContact O-CB 3.4Å; Y1221-A1225 PolarHBondContact O-N 3.2Å; Y1221-A1225 VanDerWaalsContact O-N 3.08Å
1222	L	80	Confident	76.3	Confident	57.6 Å²	57.6	87.3 Å²	87.3	30%	0.302	46%	0.455	S	S	.	.	H	α-helix	trans	-62.2	-45.4	173.5	-92.3	168	0	0	0	111.1	Y1218 P1219 K1224 A1225 F1226	Y1218-L1222 HydrophobicContact CD1-CD1 4.39Å; P1219-L1222 HydrophobicContact CB-CB 4.47Å; P1219-L1222 HydrophobicContact CG-CD1 4.25Å; P1219-L1222 WeakPolarHBondContact O-CB 3.3Å; P1219-L1222 PolarHBondContact O-N 3.02Å; P1219-L1222 VanDerWaalsContact O-N 3.11Å; L1222-K1224 PolarHBondContact O-N 2.92Å; L1222-A1225 WeakPolarHBondContact O-CA 3.45Å; L1222-A1225 WeakPolarHBondContact O-CB 3.5Å; L1222-A1225 PolarHBondContact O-N 3.24Å; L1222-F1226 HydrophobicContact CD2-CD2 4.17Å; L1222-F1226 HydrophobicContact CD2-CE2 4Å; L1222-F1226 WeakPolarHBondContact O-CD2 3.34Å; L1222-F1226 PolarHBondContact O-N 3.2Å
1223	M	83	Confident	76.2	Confident	8.8 Å²	8.8	87.5 Å²	87.5	4%	0.043	46%	0.457	C	S	.	.	H	α-helix	trans	-56.9	-41.9	173	-64.9	-175.7	74.1	0	0	112	L1214 E1215 Y1218 P1219 N1220 Y1221 A1225 F1226 Y1227 L1232	L1214-M1223 HydrophobicContact CD2-CE 4.35Å; L1214-M1223 HydrophobicContact CG-CE 4.32Å; L1214-M1223 WeakPolarHBondContact O-CE 3.4Å; E1215-M1223 HydrophobicContact CB-CE 4.33Å; E1215-M1223 HydrophobicContact CB-SD 4.44Å; E1215-M1223 HydrophobicContact CG-CE 3.76Å; E1215-M1223 HydrophobicContact CG-SD 4.14Å; Y1218-M1223 WeakPolarHBondContact O-CG 3.46Å; P1219-M1223 WeakPolarHBondContact O-CG 3.43Å; P1219-M1223 PolarHBondContact O-N 2.97Å; N1220-M1223 PolarHBondContact O-N 2.89Å; Y1221-M1223 VanDerWaalsContact C-N 3.31Å; Y1221-M1223 PolarHBondContact O-N 3.28Å; M1223-A1225 VanDerWaalsContact C-N 3.32Å; M1223-A1225 PolarHBondContact O-N 3.43Å; M1223-F1226 PolarHBondContact O-N 3.17Å; M1223-Y1227 HydrophobicContact CB-CD2 4.4Å; M1223-Y1227 HydrophobicContact CE-CE2 4.45Å; M1223-Y1227 WeakPolarHBondContact O-CB 3.37Å; M1223-Y1227 VanDerWaalsContact O-CD2 3.31Å; M1223-Y1227 WeakPolarHBondContact O-CD2 3.41Å; M1223-Y1227 PolarHBondContact O-N 3.18Å; M1223-Y1227 VanDerWaalsContact O-N 3.07Å; M1223-L1232 HydrophobicContact CB-CD1 3.92Å; M1223-L1232 HydrophobicContact CB-CD2 4.27Å; M1223-L1232 HydrophobicContact CE-CD1 4.36Å; M1223-L1232 HydrophobicContact CE-CD2 3.89Å
1224	K	82	Confident	76	Confident	120.8 Å²	120.8	83.4 Å²	83.4	53%	0.525	45%	0.448	S	S	.	.	H	α-helix	trans	-70.4	-30.9	180	-114.8	179.8	178.5	-171.7	0	112.6	N1220 Y1221 L1222 G1228 A1229 L1232	N1220-K1224 WeakPolarHBondContact O-CB 3.23Å; N1220-K1224 WeakPolarHBondContact O-CD 3.46Å; N1220-K1224 WeakPolarHBondContact O-CG 3.35Å; N1220-K1224 PolarHBondContact O-N 3.15Å; N1220-K1224 VanDerWaalsContact O-N 3.14Å; Y1221-K1224 CarbonylContact O-C 3.58Å; Y1221-K1224 WeakPolarHBondContact O-CA 3.37Å; Y1221-K1224 WeakPolarHBondContact O-CB 3.24Å; Y1221-K1224 PolarHBondContact O-N 3.13Å; Y1221-K1224 VanDerWaalsContact O-N 3.12Å; L1222-K1224 PolarHBondContact O-N 2.92Å; K1224-G1228 VanDerWaalsContact O-CA 3.24Å; K1224-G1228 WeakPolarHBondContact O-CA 3.35Å; K1224-G1228 PolarHBondContact O-N 3.06Å; K1224-G1228 VanDerWaalsContact O-N 3.12Å; K1224-A1229 HydrophobicContact CD-CB 4.43Å; K1224-A1229 HydrophobicContact CG-CB 4.12Å; K1224-L1232 HydrophobicContact CB-CD1 4.22Å; K1224-L1232 HydrophobicContact CG-CD1 3.88Å
1225	A	78.1	Confident	75.6	Confident	66 Å²	66	88.7 Å²	88.7	55%	0.545	47%	0.469	S	S	.	.	H	α-helix	trans	-69.6	-50.7	172.7	0	0	0	0	0	111.5	Y1221 L1222 M1223 Y1227	Y1221-A1225 WeakPolarHBondContact O-CB 3.4Å; Y1221-A1225 PolarHBondContact O-N 3.2Å; Y1221-A1225 VanDerWaalsContact O-N 3.08Å; L1222-A1225 WeakPolarHBondContact O-CA 3.45Å; L1222-A1225 WeakPolarHBondContact O-CB 3.5Å; L1222-A1225 PolarHBondContact O-N 3.24Å; M1223-A1225 VanDerWaalsContact C-N 3.32Å; M1223-A1225 PolarHBondContact O-N 3.43Å; A1225-Y1227 PolarHBondContact O-N 3.21Å
1226	F	75.7	Confident	74.7	Confident	142.4 Å²	142.4	94.8 Å²	94.8	63%	0.625	49%	0.49	S	S	*	.	H	α-helix	trans	-73.3	-38.4	-176.8	-87.7	-82.3	0	0	0	114.6	F758 L1222 M1223	F758-F1226 HydrophobicContact CD1-CZ 4.36Å; F758-F1226 HydrophobicContact CE1-CD2 4.43Å; F758-F1226 HydrophobicContact CE1-CE1 4.15Å; F758-F1226 AromaticContact CE1-CE2 3.5Å; F758-F1226 HydrophobicContact CE1-CE2 3.5Å; F758-F1226 AromaticContact CE1-CZ 3.33Å; F758-F1226 HydrophobicContact CE1-CZ 3.33Å; F758-F1226 AromaticContact CZ-CE2 3.68Å; F758-F1226 HydrophobicContact CZ-CE2 3.68Å; F758-F1226 AromaticContact CZ-CZ 3.62Å; F758-F1226 HydrophobicContact CZ-CZ 3.62Å; L1222-F1226 HydrophobicContact CD2-CD2 4.17Å; L1222-F1226 HydrophobicContact CD2-CE2 4Å; L1222-F1226 WeakPolarHBondContact O-CD2 3.34Å; L1222-F1226 PolarHBondContact O-N 3.2Å; M1223-F1226 PolarHBondContact O-N 3.17Å
1227	Y	82	Confident	73.3	Confident	101.2 Å²	101.2	97.8 Å²	97.8	40%	0.397	50%	0.498	S	S	.	.	H	α-helix	trans	-106.7	-8.8	-174.9	-58.7	-67.6	0	0	0	114	L1214 M1223 A1225 L1231 L1232	L1214-Y1227 HydrophobicContact CD1-CE2 4.38Å; L1214-Y1227 HydrophobicContact CD2-CE2 4.04Å; L1214-Y1227 HydrophobicContact CG-CE2 4.39Å; M1223-Y1227 HydrophobicContact CB-CD2 4.4Å; M1223-Y1227 HydrophobicContact CE-CE2 4.45Å; M1223-Y1227 WeakPolarHBondContact O-CB 3.37Å; M1223-Y1227 VanDerWaalsContact O-CD2 3.31Å; M1223-Y1227 WeakPolarHBondContact O-CD2 3.41Å; M1223-Y1227 PolarHBondContact O-N 3.18Å; M1223-Y1227 VanDerWaalsContact O-N 3.07Å; A1225-Y1227 PolarHBondContact O-N 3.21Å; Y1227-L1231 WeakPolarHBondContact O-CB 3.34Å; Y1227-L1231 WeakPolarHBondContact O-CD1 3.41Å; Y1227-L1231 WeakPolarHBondContact O-CG 3.34Å; Y1227-L1232 HydrophobicContact CD2-CD2 4.15Å; Y1227-L1232 HydrophobicContact CG-CD2 4.3Å
1228	G	74.7	Confident	71.4	Confident	29.8 Å²	29.8	97.4 Å²	97.4	31%	0.307	51%	0.507	S	S	.	.	H	α-helix	trans	69.3	151.7	-172.3	0	0	0	0	0	113.7	K1224 C1230 L1231 L1232	K1224-G1228 VanDerWaalsContact O-CA 3.24Å; K1224-G1228 WeakPolarHBondContact O-CA 3.35Å; K1224-G1228 PolarHBondContact O-N 3.06Å; K1224-G1228 VanDerWaalsContact O-N 3.12Å; G1228-C1230 VanDerWaalsContact C-N 3.26Å; G1228-C1230 PolarHBondContact O-N 3.15Å; G1228-C1230 VanDerWaalsContact O-N 3.14Å; G1228-L1231 PolarHBondContact O-N 3.07Å; G1228-L1231 VanDerWaalsContact O-N 3.15Å; G1228-L1232 WeakPolarHBondContact O-CG 3.35Å; G1228-L1232 PolarHBondContact O-N 3.22Å; G1228-L1232 VanDerWaalsContact O-N 3.17Å
1229	A	76.8	Confident	69.6	Low	55.6 Å²	55.6	99.3 Å²	99.3	46%	0.46	53%	0.525	S	S	.	.	H	α-helix	trans	-60.5	-32.4	179.4	0	0	0	0	0	113.2	K1224 S1233	K1224-A1229 HydrophobicContact CD-CB 4.43Å; K1224-A1229 HydrophobicContact CG-CB 4.12Å; A1229-S1233 VanDerWaalsContact O-CB 3.27Å; A1229-S1233 WeakPolarHBondContact O-CB 3.36Å; A1229-S1233 PolarHBondContact O-N 3.12Å; A1229-S1233 VanDerWaalsContact O-N 3.13Å; A1229-S1233 PolarHBondContact O-OG 3.28Å
1230	C	75.1	Confident	67.6	Low	108 Å²	108	107.9 Å²	107.9	73%	0.73	55%	0.549	S	S	*	.	H	α-helix	trans	-68.6	-43.4	-178	-63.4	0	0	0	0	113	G1228 L1232 S1233 A1234	G1228-C1230 VanDerWaalsContact C-N 3.26Å; G1228-C1230 PolarHBondContact O-N 3.15Å; G1228-C1230 VanDerWaalsContact O-N 3.14Å; C1230-L1232 PolarHBondContact O-N 3.21Å; C1230-S1233 WeakPolarHBondContact CA-OG 3.43Å; C1230-S1233 PolarHBondContact O-N 2.97Å; C1230-S1233 PolarHBondContact O-OG 3.2Å; C1230-S1233 VanDerWaalsContact O-OG 3.07Å; C1230-A1234 VanDerWaalsContact O-CB 3.29Å; C1230-A1234 WeakPolarHBondContact O-CB 3.4Å; C1230-A1234 PolarHBondContact O-N 3.12Å
1231	L	71.4	Confident	66.1	Low	114.4 Å²	114.4	113.1 Å²	113.1	60%	0.599	57%	0.567	S	S	*	*	H	α-helix	trans	-75.5	-36.8	-175.9	-103.4	174.7	0	0	0	111.7	Y1227 G1228 S1233 A1234	Y1227-L1231 WeakPolarHBondContact O-CB 3.34Å; Y1227-L1231 WeakPolarHBondContact O-CD1 3.41Å; Y1227-L1231 WeakPolarHBondContact O-CG 3.34Å; G1228-L1231 PolarHBondContact O-N 3.07Å; G1228-L1231 VanDerWaalsContact O-N 3.15Å; L1231-S1233 VanDerWaalsContact C-N 3.33Å; L1231-S1233 PolarHBondContact O-N 3.17Å; L1231-A1234 WeakPolarHBondContact O-CB 3.42Å; L1231-A1234 PolarHBondContact O-N 3.06Å
1232	L	72.7	Confident	64.1	Low	38.4 Å²	38.4	115.1 Å²	115.1	20%	0.201	58%	0.579	C	S	.	*	H	α-helix	trans	-62.1	-39.5	170.1	-64.7	179.5	0	0	0	112.3	M1223 K1224 Y1227 G1228 C1230 A1234 K1235	M1223-L1232 HydrophobicContact CB-CD1 3.92Å; M1223-L1232 HydrophobicContact CB-CD2 4.27Å; M1223-L1232 HydrophobicContact CE-CD1 4.36Å; M1223-L1232 HydrophobicContact CE-CD2 3.89Å; K1224-L1232 HydrophobicContact CB-CD1 4.22Å; K1224-L1232 HydrophobicContact CG-CD1 3.88Å; Y1227-L1232 HydrophobicContact CD2-CD2 4.15Å; Y1227-L1232 HydrophobicContact CG-CD2 4.3Å; G1228-L1232 WeakPolarHBondContact O-CG 3.35Å; G1228-L1232 PolarHBondContact O-N 3.22Å; G1228-L1232 VanDerWaalsContact O-N 3.17Å; C1230-L1232 PolarHBondContact O-N 3.21Å; L1232-A1234 VanDerWaalsContact C-N 3.27Å; L1232-A1234 PolarHBondContact O-N 3.03Å; L1232-K1235 PolarHBondContact O-N 3.12Å
1233	S	69.4	Low	62.1	Low	61.6 Å²	61.6	122 Å²	122	43%	0.431	61%	0.607	S	S	.	*	H	α-helix	trans	-75.7	-26.1	178.1	-20.3	0	0	0	0	113.2	A1229 C1230 L1231 K1235 R1236	A1229-S1233 VanDerWaalsContact O-CB 3.27Å; A1229-S1233 WeakPolarHBondContact O-CB 3.36Å; A1229-S1233 PolarHBondContact O-N 3.12Å; A1229-S1233 VanDerWaalsContact O-N 3.13Å; A1229-S1233 PolarHBondContact O-OG 3.28Å; C1230-S1233 WeakPolarHBondContact CA-OG 3.43Å; C1230-S1233 PolarHBondContact O-N 2.97Å; C1230-S1233 PolarHBondContact O-OG 3.2Å; C1230-S1233 VanDerWaalsContact O-OG 3.07Å; L1231-S1233 VanDerWaalsContact C-N 3.33Å; L1231-S1233 PolarHBondContact O-N 3.17Å; S1233-K1235 VanDerWaalsContact C-N 3.26Å; S1233-K1235 PolarHBondContact O-N 3.2Å; S1233-R1236 WeakPolarHBondContact O-CB 3.26Å; S1233-R1236 PolarHBondContact O-N 3.11Å; S1233-R1236 VanDerWaalsContact O-N 3.15Å
1234	A	65	Low	59.7	Low	64.2 Å²	64.2	132.3 Å²	132.3	53%	0.531	65%	0.645	S	S	.	*	H	α-helix	trans	-61.6	-38.3	179.2	0	0	0	0	0	112.8	C1230 L1231 L1232 R1236 K1237	C1230-A1234 VanDerWaalsContact O-CB 3.29Å; C1230-A1234 WeakPolarHBondContact O-CB 3.4Å; C1230-A1234 PolarHBondContact O-N 3.12Å; L1231-A1234 WeakPolarHBondContact O-CB 3.42Å; L1231-A1234 PolarHBondContact O-N 3.06Å; L1232-A1234 VanDerWaalsContact C-N 3.27Å; L1232-A1234 PolarHBondContact O-N 3.03Å; A1234-R1236 VanDerWaalsContact C-N 3.27Å; A1234-R1236 PolarHBondContact O-N 3.05Å; A1234-R1236 VanDerWaalsContact O-N 3.09Å; A1234-K1237 PolarHBondContact O-N 3.14Å
1235	K	57.3	Low	57.6	Low	179.6 Å²	179.6	134.1 Å²	134.1	78%	0.781	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-8.7	177.5	-77.2	-177.6	177.6	173.8	0	114.4	L1232 S1233	L1232-K1235 PolarHBondContact O-N 3.12Å; S1233-K1235 VanDerWaalsContact C-N 3.26Å; S1233-K1235 PolarHBondContact O-N 3.2Å
1236	R	53.5	Low	55.6	Low	170.2 Å²	170.2	141.3 Å²	141.3	64%	0.642	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	4.1	-175.1	-66.6	-175.6	154.1	150.9	-1.2	115.3	E1215 S1233 A1234 P1238	E1215-R1236 IonicContact OE1-CZ 2.94Å; E1215-R1236 VanDerWaalsContact OE1-CZ 3.23Å; E1215-R1236 IonicContact OE1-NE 3.15Å; E1215-R1236 PolarHBondContact OE1-NE 3.31Å; E1215-R1236 IonicContact OE1-NH1 2.69Å; E1215-R1236 PolarHBondContact OE1-NH1 3.1Å; E1215-R1236 IonicContact OE1-NH2 3.24Å; E1215-R1236 PolarHBondContact OE1-NH2 3.08Å; E1215-R1236 IonicContact OE2-CZ 3.78Å; E1215-R1236 IonicContact OE2-NH2 3.08Å; E1215-R1236 PolarHBondContact OE2-NH2 3.21Å; S1233-R1236 WeakPolarHBondContact O-CB 3.26Å; S1233-R1236 PolarHBondContact O-N 3.11Å; S1233-R1236 VanDerWaalsContact O-N 3.15Å; A1234-R1236 VanDerWaalsContact C-N 3.27Å; A1234-R1236 PolarHBondContact O-N 3.05Å; A1234-R1236 VanDerWaalsContact O-N 3.09Å; R1236-P1238 WeakPolarHBondContact O-CD 3.45Å
1237	K	44.3	Very low	53.7	Low	161.8 Å²	161.8	140.5 Å²	140.5	70%	0.703	68%	0.682	S	S	*	*			trans	-106.4	117.5	180	-70	-177.2	179.7	177.4	0	112.8	A1234 L1239	A1234-K1237 PolarHBondContact O-N 3.14Å; K1237-L1239 VanDerWaalsContact C-N 3.29Å; K1237-L1239 HydrophobicContact CB-CD1 3.96Å; K1237-L1239 PolarHBondContact O-N 3.05Å
1238	P	40.5	Very low	51.4	Low	124.2 Å²	124.2	143.3 Å²	143.3	81%	0.806	70%	0.702	S	S	*	*			trans	-77.4	102	175.6	6.4	2.8	0	0	0	111.7	R1236 R1240	R1236-P1238 WeakPolarHBondContact O-CD 3.45Å; P1238-R1240 VanDerWaalsContact C-N 3.29Å; P1238-R1240 PolarHBondContact O-N 3.17Å; P1238-R1240 VanDerWaalsContact O-N 3.07Å
1239	L	40.5	Very low	49.4	Very low	162.6 Å²	162.6	147.2 Å²	147.2	85%	0.851	72%	0.724	S	S	*	*			trans	-71.3	109.2	176.6	-83.1	113.6	0	0	0	112	K1237 K1241	K1237-L1239 VanDerWaalsContact C-N 3.29Å; K1237-L1239 HydrophobicContact CB-CD1 3.96Å; K1237-L1239 PolarHBondContact O-N 3.05Å; L1239-K1241 PolarHBondContact O-N 3.48Å
1240	R	43.5	Very low	47.4	Very low	240.2 Å²	240.2	149.8 Å²	149.8	91%	0.906	74%	0.739	S	S	*	*			trans	-68.1	131.6	161.2	-69	-178.3	129	-178.2	-2.6	111.1	P1238 K1242	P1238-R1240 VanDerWaalsContact C-N 3.29Å; P1238-R1240 PolarHBondContact O-N 3.17Å; P1238-R1240 VanDerWaalsContact O-N 3.07Å; R1240-K1242 VanDerWaalsContact C-N 3.32Å; R1240-K1242 PolarHBondContact O-N 3.1Å
1241	K	41.5	Very low	45.5	Very low	207.2 Å²	207.2	149.8 Å²	149.8	90%	0.901	74%	0.74	S	S	*	*			trans	-79.9	139.2	-174.8	-75.1	-178.8	175	177.9	0	113.2	L1239	L1239-K1241 PolarHBondContact O-N 3.48Å
1242	K	39.2	Very low	43.7	Very low	202.4 Å²	202.4	152.7 Å²	152.7	88%	0.88	75%	0.751	S	S	*	*			trans	33.5	122.2	166.7	-130.3	175.6	-179.1	177.9	0	115.1	R1240	R1240-K1242 VanDerWaalsContact C-N 3.32Å; R1240-K1242 PolarHBondContact O-N 3.1Å
1243	K	38	Very low	41.9	Very low	202.2 Å²	202.2	158.5 Å²	158.5	88%	0.879	78%	0.777	S	S	*	*				-125.7	148	123.1	-151.9	173.4	-178.6	178.8	0	111.4
1244	R	33.1	Very low	40.1	Very low	224.6 Å²	224.6	162.4 Å²	162.4	85%	0.848	79%	0.792	S	S	*	*			trans	-87.9	142.6	176.6	-103.4	179.2	173.7	176.7	-2.7	110.6
1245	I	37.8	Very low	38.6	Very low	158.8 Å²	158.8	166 Å²	166	81%	0.814	80%	0.801	S	S	*	*			trans	-142.3	151.2	131	-66.5	175.1	0	0	0	108.5
1246	R	36.5	Very low	37.5	Very low	217.2 Å²	217.2	164.1 Å²	164.1	82%	0.82	80%	0.804	S	S	*	*			trans	-83.9	149.1	-178.8	-55.5	-178.8	-150.4	-138.5	4.3	112.4
1247	P	34.3	Very low	36.6	Very low	127 Å²	127	158.9 Å²	158.9	83%	0.825	80%	0.803	S	S	*	*			trans	-75.2	151.3	165.2	33	-33.9	0	0	0	111.2
1248	I	34.3	Very low	36.6	Very low	160.2 Å²	160.2	156.9 Å²	156.9	82%	0.822	81%	0.807	S	S	*	*			trans	-129.7	140.9	167.3	-69.4	178.4	0	0	0	107
1249	S	33.2	Very low	36.3	Very low	111.2 Å²	111.2	159.3 Å²	159.3	78%	0.778	81%	0.807	S	S	*	*			trans	-98.4	136.8	177.3	62.7	0	0	0	0	112.5
1250	S	34	Very low	36.1	Very low	110 Å²	110	156.5 Å²	156.5	77%	0.769	80%	0.801	S	S	*	*			trans	-163.9	129.5	157.5	-114.6	0	0	0	0	108.9
1251	S	36.2	Very low	35.7	Very low	107.8 Å²	107.8	151.2 Å²	151.2	75%	0.754	80%	0.795	S	S	*	*			trans	20.2	146.9	151.2	-46.6	0	0	0	0	114.2
1252	Q	33.9	Very low	35.4	Very low	176.2 Å²	176.2	146.6 Å²	146.6	82%	0.823	79%	0.789	S	S	*	*				166.1	139.2	101.2	-117	172.3	-22.2	0	0	115.3
1253	E	33.5	Very low	35.2	Very low	160 Å²	160	140.2 Å²	140.2	75%	0.748	78%	0.781	S	S	*	*			trans	23.3	145.7	158.1	-62.2	-170.7	119.8	0	0	117.4
1254	L	32.4	Very low	35.1	Very low	142.8 Å²	142.8	138 Å²	138	75%	0.748	78%	0.777	S	S	*	*				150.8	134.1	126	-96.6	162.4	0	0	0	114
1255	I	32.9	Very low	35.3	Very low	140.2 Å²	140.2	135.2 Å²	135.2	72%	0.719	77%	0.771	S	S	*	*			trans	72.9	129.1	136.6	-48.5	166.4	0	0	0	114.2
1256	V	34.6	Very low	35.3	Very low	138.8 Å²	138.8	135.2 Å²	135.2	84%	0.841	77%	0.767	S	S	*	*				176	145.5	84	-169	0	0	0	0	112.9
1257	G	34.4	Very low	35.2	Very low	60.8 Å²	60.8	130.2 Å²	130.2	63%	0.627	76%	0.758	S	S	*	*			cis	-147.6	-167.2	45.1	0	0	0	0	0	111.2
1258	P	43.4	Very low	35.4	Very low	120.6 Å²	120.6	132.8 Å²	132.8	78%	0.783	76%	0.756	S	S	*	*				-116	-166.6	111.1	42.5	-31.9	0	0	0	113.5
1259	E	34.3	Very low	35.4	Very low	174.2 Å²	174.2	128.7 Å²	128.7	81%	0.814	75%	0.753	S	S	*	*				-161.1	146.2	116.4	-58.8	-145.5	123.9	0	0	113.8
1260	S	36.2	Very low	35.5	Very low	103.6 Å²	103.6	126.7 Å²	126.7	72%	0.724	75%	0.75	S	S	*	*				116.8	159.7	128.7	48.3	0	0	0	0	115.7
1261	V	36.7	Very low	35.5	Very low	128.6 Å²	128.6	128.8 Å²	128.8	78%	0.779	75%	0.752	S	S	*	*				168.3	138.2	69.1	-179.1	0	0	0	0	114.8
1262	S	35.4	Very low	35.3	Very low	111 Å²	111	129.1 Å²	129.1	78%	0.776	75%	0.749	S	S	*	*			trans	-6	140.7	159.2	-5.1	0	0	0	0	119.6
1263	G	33.8	Very low	35.2	Very low	69.2 Å²	69.2	128.1 Å²	128.1	71%	0.713	75%	0.748	S	S	*	*				151.9	152	59.1	0	0	0	0	0	116.8
1264	I	36.4	Very low	35.2	Very low	155.6 Å²	155.6	125.4 Å²	125.4	80%	0.798	75%	0.747	S	S	*	*			trans	82	120.3	145.1	-60	176	0	0	0	116.9
1265	K	37.2	Very low	35.2	Very low	166.2 Å²	166.2	124.3 Å²	124.3	72%	0.723	75%	0.746	S	S	*	*			trans	75.2	136.6	131.7	-82.2	177.2	-175.7	172.1	0	118.5
1266	Q	38.7	Very low	35.1	Very low	157 Å²	157	128.7 Å²	128.7	73%	0.734	75%	0.754	S	S	*	*				115.2	153.7	100.7	-88.4	-179.8	7.1	0	0	116.9
1267	N	34.4	Very low	35	Very low	114.2 Å²	114.2	127.6 Å²	127.6	61%	0.611	75%	0.752	S	S	*	*			cis	157.7	149.2	43.2	-125.7	-20.1	0	0	0	116
1268	K	37.5	Very low	35.1	Very low	180.8 Å²	180.8	130.7 Å²	130.7	79%	0.786	76%	0.764	S	S	*	*			trans	58	142.4	158.5	-73.8	166.9	-176	178.1	0	117.3	Q1862	K1268-Q1862 VanDerWaalsContact O-CG 3.28Å; K1268-Q1862 WeakPolarHBondContact O-CG 3.45Å; K1268-Q1862 PolarHBondContact O-NE2 2.75Å
1269	G	34.8	Very low	34.6	Very low	74 Å²	74	134.4 Å²	134.4	76%	0.763	77%	0.768	S	S	*	*				134.1	129.6	111	0	0	0	0	0	114.9	Q1862 Q1863	G1269-Q1862 CarbonylContact O-C 3.5Å; G1269-Q1862 WeakPolarHBondContact O-CA 2.93Å; G1269-Q1862 WeakPolarHBondContact O-CG 3.23Å; G1269-Q1863 CarbonylContact C-O 3.47Å; G1269-Q1863 CarbonylContact O-C 3.4Å; G1269-Q1863 VanDerWaalsContact O-CA 3.3Å; G1269-Q1863 WeakPolarHBondContact O-CA 3.29Å; G1269-Q1863 PolarHBondContact O-N 2.56Å
1270	G	35.3	Very low	35	Very low	69.4 Å²	69.4	131.5 Å²	131.5	72%	0.715	76%	0.764	S	S	*	*			trans	161	155.1	176.4	0	0	0	0	0	114.2	Q1862 Q1863	G1270-Q1862 CarbonylContact O-C 2.88Å; G1270-Q1862 WeakPolarHBondContact O-CA 3.28Å; G1270-Q1863 WeakPolarHBondContact CA-O 3.36Å; G1270-Q1863 PolarHBondContact O-N 3Å; G1270-Q1863 VanDerWaalsContact O-N 3.16Å
1271	L	33	Very low	34.9	Very low	153.2 Å²	153.2	132.2 Å²	132.2	80%	0.802	76%	0.764	S	S	*	*				165.9	153.7	128.1	-84.7	175.9	0	0	0	113.2	Q1863 R1864	L1271-Q1863 HydrophobicContact CD1-CB 3.75Å; L1271-Q1863 VanDerWaalsContact CG-C 3.42Å; L1271-Q1863 HydrophobicContact CG-CB 4.11Å; L1271-R1864 WeakPolarHBondContact CD1-O 3.39Å
1272	T	32.8	Very low	34.9	Very low	115 Å²	115	135.9 Å²	135.9	71%	0.706	77%	0.77	S	S	*	*			trans	-172.8	157.3	176.8	52.1	0	0	0	0	117
1273	L	32.2	Very low	34.9	Very low	154 Å²	154	134.6 Å²	134.6	81%	0.806	77%	0.773	S	S	*	*			trans	115	124.3	130.3	-85.8	165.4	0	0	0	117.1
1274	S	32	Very low	34.9	Very low	103.4 Å²	103.4	135 Å²	135	72%	0.723	78%	0.778	S	S	*	*				84.2	139	116.3	-104.3	0	0	0	0	119.5
1275	V	32.4	Very low	34.9	Very low	120.4 Å²	120.4	132.5 Å²	132.5	73%	0.73	78%	0.781	S	S	*	*				127.2	118.4	108.3	161.6	0	0	0	0	115.6
1276	R	31.9	Very low	34.7	Very low	233.4 Å²	233.4	131.7 Å²	131.7	88%	0.881	78%	0.783	S	S	*	*			trans	73	142.8	145	-74.4	169.8	-175	-163.6	-0.7	119.4
1277	S	31.5	Very low	34.5	Very low	115.4 Å²	115.4	131.3 Å²	131.3	81%	0.807	78%	0.783	S	S	*	*			trans	100.5	137.7	149	-56.2	0	0	0	0	116.4
1278	S	37.1	Very low	34.7	Very low	124.8 Å²	124.8	134.2 Å²	134.2	87%	0.873	79%	0.791	S	S	*	*			trans	-164.3	158.1	133.1	10.5	0	0	0	0	113.6
1279	K	33.3	Very low	34.6	Very low	199.6 Å²	199.6	134.1 Å²	134.1	87%	0.868	79%	0.79	S	S	*	*			trans	-103.7	174.6	173.9	-74.7	-178	179.8	-179.7	0	110.6
1280	P	41.3	Very low	34.6	Very low	112.2 Å²	112.2	135.9 Å²	135.9	73%	0.729	79%	0.79	S	S	*	*			cis	-122.9	-161.2	1.4	30.3	-8.4	0	0	0	112.7
1281	T	34.5	Very low	34.5	Very low	117.8 Å²	117.8	138.9 Å²	138.9	72%	0.723	79%	0.79	S	S	*	*				134.4	140.1	50.7	-5.9	0	0	0	0	119
1282	K	36.5	Very low	34.6	Very low	208.2 Å²	208.2	138.2 Å²	138.2	91%	0.905	79%	0.791	S	S	*	*			trans	41.5	135	155.6	-67.5	177.8	175.6	-179.7	0	120.3
1283	G	36.2	Very low	34.7	Very low	82.2 Å²	82.2	136.7 Å²	136.7	85%	0.847	79%	0.791	S	S	*	*				146.6	126.5	114.3	0	0	0	0	0	115.3
1284	G	34.6	Very low	34.6	Very low	78.6 Å²	78.6	139.3 Å²	139.3	81%	0.81	79%	0.79	S	S	*	*			trans	127.6	138	171.5	0	0	0	0	0	114.7
1285	A	36.4	Very low	34.7	Very low	103.6 Å²	103.6	142.4 Å²	142.4	86%	0.856	80%	0.797	S	S	*	*			trans	106.8	135.9	132.4	0	0	0	0	0	116.4
1286	L	33.2	Very low	34.8	Very low	148 Å²	148	140 Å²	140	78%	0.775	80%	0.796	S	S	*	*				164.4	121.8	101.7	-170.3	73.9	0	0	0	116.2
1287	M	34.4	Very low	34.9	Very low	149.2 Å²	149.2	136.5 Å²	136.5	74%	0.735	80%	0.795	S	S	*	*			trans	68.6	135.1	148.2	-66	-174.6	119.5	0	0	117.4
1288	K	36.8	Very low	35	Very low	176 Å²	176	141.9 Å²	141.9	77%	0.765	80%	0.798	S	S	*	*				-177.3	124.9	53	-102.2	172.2	179.4	174.2	0	113.8
1289	K	36.9	Very low	35.1	Very low	177.4 Å²	177.4	141.3 Å²	141.3	77%	0.771	79%	0.791	S	S	*	*			trans	28.9	141.3	142.7	-103.2	-175.1	176.9	-174.6	0	117.7	D1291	K1289-D1291 WeakPolarHBondContact CA-OD2 3.31Å; K1289-D1291 WeakPolarHBondContact CE-OD2 3.24Å; K1289-D1291 PolarHBondContact N-OD2 3.32Å; K1289-D1291 IonicContact NZ-OD2 2.89Å
1290	C	35.3	Very low	35.1	Very low	111.4 Å²	111.4	140.1 Å²	140.1	75%	0.753	79%	0.786	S	S	*	*			cis	171.6	124.1	39.5	-76.6	0	0	0	0	112
1291	D	33.3	Very low	34.8	Very low	134 Å²	134	138.9 Å²	138.9	72%	0.717	78%	0.78	S	S	*	*			trans	-159.7	141.3	174.4	-74.8	-58.3	0	0	0	110.7	K1289	K1289-D1291 WeakPolarHBondContact CA-OD2 3.31Å; K1289-D1291 WeakPolarHBondContact CE-OD2 3.24Å; K1289-D1291 PolarHBondContact N-OD2 3.32Å; K1289-D1291 IonicContact NZ-OD2 2.89Å
1292	V	34.6	Very low	34.9	Very low	137.2 Å²	137.2	139.4 Å²	139.4	83%	0.832	78%	0.779	S	S	*	*			trans	128.4	133.1	134.9	165.5	0	0	0	0	113
1293	A	33.4	Very low	34.9	Very low	84.4 Å²	84.4	135.2 Å²	135.2	70%	0.698	77%	0.766	S	S	*	*			trans	-166.4	172.8	175.9	0	0	0	0	0	116.9	D1343	A1293-D1343 WeakPolarHBondContact CB-OD1 3.12Å
1294	R	30.6	Very low	34.9	Very low	208.8 Å²	208.8	141 Å²	141	79%	0.788	76%	0.764	S	S	*	*			trans	103.2	134.2	140	-143.3	176.6	-170.1	179.6	2.1	117.5	E1341 E1342	R1294-E1341 IonicContact CZ-OE2 3.81Å; R1294-E1341 IonicContact NH1-OE1 2.95Å; R1294-E1341 IonicContact NH1-OE2 2.68Å; R1294-E1341 PolarHBondContact NH1-OE2 3.26Å; R1294-E1342 IonicContact CZ-OE2 3.42Å; R1294-E1342 IonicContact NH2-OE2 3.41Å; R1294-E1342 PolarHBondContact NH2-OE2 3.32Å
1295	L	34.1	Very low	34.9	Very low	168 Å²	168	141.9 Å²	141.9	88%	0.88	76%	0.758	S	S	*	*			trans	66.2	130.6	157.2	-57.3	172.5	0	0	0	120.3
1296	G	34.3	Very low	34.9	Very low	69.2 Å²	69.2	143.8 Å²	143.8	71%	0.713	75%	0.753	S	S	*	*			trans	149.6	131.4	152	0	0	0	0	0	116.6
1297	N	35.3	Very low	35	Very low	160.4 Å²	160.4	143.6 Å²	143.6	86%	0.858	75%	0.752	S	S	*	*			trans	-141.9	138.2	148.1	-77.9	-30.3	0	0	0	115.4
1298	R	32.8	Very low	35.1	Very low	228.2 Å²	228.2	139.7 Å²	139.7	86%	0.861	75%	0.751	S	S	*	*			trans	-166	154	144.2	-128.3	-168.8	-176.7	-131.7	1.6	115.4
1299	P	40.2	Very low	34.9	Very low	113.4 Å²	113.4	138.8 Å²	138.8	74%	0.736	75%	0.749	S	S	*	*			trans	-108.4	172.9	179.8	29.1	-18.6	0	0	0	114.1
1300	K	33.1	Very low	34.7	Very low	174.8 Å²	174.8	140.4 Å²	140.4	76%	0.76	75%	0.75	S	S	*	*			trans	161.8	150.9	150.9	-101.4	-164.1	168.4	-152.9	0	111.3	D1302	K1300-D1302 VanDerWaalsContact NZ-CG 3.34Å; K1300-D1302 IonicContact NZ-OD1 2.74Å; K1300-D1302 PolarHBondContact NZ-OD1 2.66Å; K1300-D1302 IonicContact NZ-OD2 3.19Å; K1300-D1302 PolarHBondContact NZ-OD2 2.86Å
1301	S	35.4	Very low	34.5	Very low	86.2 Å²	86.2	139.5 Å²	139.5	60%	0.603	74%	0.742	S	S	*	*			cis	165.4	169.9	10.3	53.8	0	0	0	0	111.4
1302	D	36.7	Very low	34.5	Very low	128.4 Å²	128.4	141.3 Å²	141.3	69%	0.687	75%	0.746	S	S	*	*			cis	158.4	144.3	-1.7	-63.5	-41.3	0	0	0	110.5	K1300	K1300-D1302 VanDerWaalsContact NZ-CG 3.34Å; K1300-D1302 IonicContact NZ-OD1 2.74Å; K1300-D1302 PolarHBondContact NZ-OD1 2.66Å; K1300-D1302 IonicContact NZ-OD2 3.19Å; K1300-D1302 PolarHBondContact NZ-OD2 2.86Å
1303	D	36.2	Very low	34.5	Very low	120.6 Å²	120.6	140.4 Å²	140.4	65%	0.645	75%	0.746	S	S	*	*			cis	171.9	-178.7	14.1	-133.2	-10.8	0	0	0	112
1304	Y	36.1	Very low	34.4	Very low	203.4 Å²	203.4	139.8 Å²	139.8	80%	0.798	75%	0.748	S	S	*	*			trans	91.3	146.2	157.8	-47.4	-69.6	0	0	0	117.6
1305	S	33.9	Very low	34.5	Very low	97.6 Å²	97.6	135.1 Å²	135.1	68%	0.683	75%	0.747	S	S	*	*			cis	153.5	158.6	-28.2	-165.3	0	0	0	0	112.5
1306	L	36.5	Very low	34.5	Very low	143.8 Å²	143.8	136.6 Å²	136.6	75%	0.753	74%	0.741	S	S	*	*			trans	85.8	148.3	168	-97.7	93.2	0	0	0	115.8
1307	D	35.1	Very low	34.5	Very low	142.4 Å²	142.4	138.5 Å²	138.5	76%	0.761	74%	0.735	S	S	*	*			cis	-178.5	153.9	-14	-70.9	-31.2	0	0	0	111.3
1308	G	36.1	Very low	34.8	Very low	68.4 Å²	68.4	139.8 Å²	139.8	71%	0.705	74%	0.736	S	S	*	*			trans	100.9	133.8	169.7	0	0	0	0	0	116.5
1309	E	32.9	Very low	35	Very low	156.8 Å²	156.8	136.6 Å²	136.6	73%	0.733	73%	0.73	S	S	*	*			cis	108.7	136	22.5	-149.6	-176.7	145	0	0	113
1310	W	33.3	Very low	34.8	Very low	210.4 Å²	210.4	139.9 Å²	139.9	80%	0.797	73%	0.733	S	S	*	*			trans	121	144.9	146.3	-62.5	95	0	0	0	115.1
1311	T	31.1	Very low	35.1	Very low	94 Å²	94	138.8 Å²	138.8	58%	0.577	73%	0.731	S	S	*	*				127.8	154.6	61.7	53.3	0	0	0	0	115.2
1312	E	33.6	Very low	35	Very low	170.2 Å²	170.2	141.9 Å²	141.9	80%	0.795	74%	0.739	S	S	*	*				101.2	144.1	98.9	-98.8	169.3	143.9	0	0	118.4
1313	S	32.8	Very low	34.9	Very low	119 Å²	119	138.9 Å²	138.9	83%	0.832	74%	0.739	S	S	*	*				82.8	149.4	125.1	-16.7	0	0	0	0	116.2
1314	G	31.2	Very low	34.8	Very low	71.2 Å²	71.2	139.2 Å²	139.2	73%	0.734	75%	0.745	S	S	*	*			trans	158.1	164.6	138.9	0	0	0	0	0	115.4
1315	S	33.6	Very low	35	Very low	110 Å²	110	137.2 Å²	137.2	77%	0.769	74%	0.743	S	S	*	*			trans	159.7	142.4	166.3	66.1	0	0	0	0	114.3
1316	R	34.7	Very low	35.3	Very low	200.8 Å²	200.8	140.3 Å²	140.3	76%	0.758	75%	0.747	S	S	*	*				92.5	140.2	84.7	-75.5	-177.9	73	154.1	10	115.3	E1319	R1316-E1319 IonicContact NH2-OE1 2.79Å
1317	D	33.9	Very low	35.7	Very low	109.2 Å²	109.2	139.3 Å²	139.3	58%	0.584	74%	0.741	S	S	*	*			cis	-173.4	157.3	48.9	-68.7	-33	0	0	0	115
1318	E	41.6	Very low	36	Very low	187.6 Å²	187.6	139 Å²	139	88%	0.877	74%	0.74	S	S	*	*			trans	170.7	125.8	135.1	-72.7	-159.2	167.1	0	0	112.8
1319	E	37.7	Very low	36.6	Very low	161.2 Å²	161.2	143.8 Å²	143.8	75%	0.753	74%	0.744	S	S	*	*			trans	-145.8	130.2	140.9	-77.8	173.5	147.1	0	0	112.4	R1316	R1316-E1319 IonicContact NH2-OE1 2.79Å
1320	F	36	Very low	37.3	Very low	181.2 Å²	181.2	143.3 Å²	143.3	80%	0.795	75%	0.746	S	S	*	*			trans	-170.1	124.4	130.7	-123.4	-95.9	0	0	0	110.4	I1322	F1320-I1322 HydrophobicContact CE1-CD1 4.24Å
1321	E	38	Very low	38	Very low	152.6 Å²	152.6	140 Å²	140	71%	0.713	74%	0.744	S	S	*	*				8.2	163.4	125.1	-80.4	-169.1	148.9	0	0	114.4
1322	I	34	Very low	38.7	Very low	150.4 Å²	150.4	142 Å²	142	77%	0.771	75%	0.751	S	S	*	*			trans	120.9	138.8	145.2	-67.4	160.7	0	0	0	111.4	F1320	F1320-I1322 HydrophobicContact CE1-CD1 4.24Å
1323	G	35.6	Very low	39.4	Very low	67 Å²	67	141 Å²	141	69%	0.691	75%	0.75	S	S	*	*			cis	173.2	131.7	15	0	0	0	0	0	115.5
1324	T	33.4	Very low	40.1	Very low	125 Å²	125	142.5 Å²	142.5	77%	0.767	75%	0.748	S	S	*	*			trans	-26.2	147.8	165.3	53	0	0	0	0	116.3
1325	E	39.8	Very low	40.7	Very low	162 Å²	162	147.9 Å²	147.9	76%	0.757	76%	0.755	S	S	*	*				-153.6	148.3	110.9	-62	-177.2	164.2	0	0	113	P1692	E1325-P1692 HydrophobicContact CB-CB 3.96Å; E1325-P1692 HydrophobicContact CB-CG 4.13Å
1326	E	39.7	Very low	41.3	Very low	162.4 Å²	162.4	146.3 Å²	146.3	76%	0.759	76%	0.755	S	S	*	*			trans	-109.6	161.9	-173.4	-71.7	170.9	168.1	0	0	111.2	S1691 P1692 Y1693 L1694	E1326-S1691 WeakPolarHBondContact O-CB 3.29Å; E1326-S1691 PolarHBondContact O-OG 2.93Å; E1326-P1692 VanDerWaalsContact C-CA 3.43Å; E1326-P1692 HydrophobicContact CB-CB 3.9Å; E1326-P1692 VanDerWaalsContact N-CB 3.29Å; E1326-P1692 WeakPolarHBondContact O-CA 3.3Å; E1326-Y1693 HydrophobicContact CG-CD1 4.14Å; E1326-Y1693 HydrophobicContact CG-CE1 4.09Å; E1326-Y1693 WeakPolarHBondContact OE1-CD1 3.44Å; E1326-Y1693 WeakPolarHBondContact OE1-CE1 3.5Å; E1326-Y1693 WeakPolarHBondContact OE2-CA 3.41Å; E1326-Y1693 VanDerWaalsContact OE2-CD1 3.23Å; E1326-Y1693 WeakPolarHBondContact OE2-CD1 3.45Å; E1326-L1694 PolarHBondContact OE2-N 3.19Å
1327	I	45.4	Very low	41.6	Very low	123 Å²	123	144 Å²	144	63%	0.631	76%	0.758	S	S	*	*			trans	177.2	112.6	168.2	-75.1	163.1	0	0	0	111.4	E1329 S1691 P1692	I1327-E1329 HydrophobicContact CG2-CG 3.95Å; I1327-S1691 VanDerWaalsContact CD1-C 3.48Å; I1327-S1691 VanDerWaalsContact CD1-O 3.3Å; I1327-S1691 WeakPolarHBondContact CD1-O 3.48Å; I1327-P1692 VanDerWaalsContact CD1-C 3.45Å
1328	D	41.1	Very low	42.2	Very low	137.2 Å²	137.2	147.7 Å²	147.7	73%	0.734	77%	0.771	S	S	*	*			trans	-52.1	137.3	136.9	-52.5	-57.3	0	0	0	112.6
1329	E	50.1	Low	42.3	Very low	168.8 Å²	168.8	146.9 Å²	146.9	79%	0.789	77%	0.768	S	S	*	*			trans	-169.5	101.6	150.2	-76.1	-169.8	164.7	0	0	109.6	I1327 S2006 P2007	I1327-E1329 HydrophobicContact CG2-CG 3.95Å; E1329-S2006 WeakPolarHBondContact OE2-CB 3.44Å; E1329-P2007 HydrophobicContact CB-CB 4.22Å; E1329-P2007 HydrophobicContact CB-CG 3.66Å; E1329-P2007 VanDerWaalsContact CD-CG 3.48Å; E1329-P2007 HydrophobicContact CG-CG 3.54Å; E1329-P2007 WeakPolarHBondContact OE1-CD 3.28Å; E1329-P2007 WeakPolarHBondContact OE1-CG 3.48Å; E1329-P2007 VanDerWaalsContact OE2-CD 3.27Å; E1329-P2007 WeakPolarHBondContact OE2-CD 3.45Å
1330	D	45.8	Very low	42.9	Very low	145.2 Å²	145.2	148.9 Å²	148.9	78%	0.776	77%	0.77	S	S	*	*			trans	-88.2	142.8	153	-70.9	-56.7	0	0	0	110.5	D1332 K2005 S2006	D1330-D1332 PolarHBondContact O-N 3.1Å; D1330-K2005 CarbonylContact C-O 3.59Å; D1330-K2005 WeakPolarHBondContact CA-O 3.47Å; D1330-K2005 WeakPolarHBondContact CB-O 3.42Å; D1330-S2006 WeakPolarHBondContact OD1-CA 3.34Å
1331	D	49.6	Very low	43.6	Very low	142.6 Å²	142.6	148.8 Å²	148.8	76%	0.763	77%	0.772	S	S	*	*			trans	-127.5	139.1	164.9	-113.7	-24.9	0	0	0	111.2	K2005 S2006 P2007 N2008	D1331-K2005 PolarHBondContact N-O 3.39Å; D1331-S2006 WeakPolarHBondContact CB-O 3.4Å; D1331-P2007 WeakPolarHBondContact OD2-CA 3.1Å; D1331-N2008 PolarHBondContact OD1-N 3.15Å; D1331-N2008 PolarHBondContact OD2-N 3.46Å; D1331-N2008 VanDerWaalsContact OD2-N 3.07Å; D1331-N2008 PolarHBondContact OD2-ND2 2.73Å
1332	D	46	Very low	44	Very low	136.4 Å²	136.4	149.2 Å²	149.2	73%	0.729	77%	0.773	S	S	*	*			trans	-109.1	164.6	174.7	-98.3	-43.3	0	0	0	112.3	D1330 K2005	D1330-D1332 PolarHBondContact O-N 3.1Å; D1332-K2005 VanDerWaalsContact OD2-CB 3.22Å; D1332-K2005 WeakPolarHBondContact OD2-CB 3.36Å
1333	I	46.6	Very low	44.7	Very low	148.6 Å²	148.6	148.8 Å²	148.8	76%	0.762	77%	0.773	S	S	*	*			trans	109.7	131.4	155.2	-64.7	161.3	0	0	0	113.6
1334	D	47.9	Very low	45.3	Very low	150.8 Å²	150.8	152.1 Å²	152.1	81%	0.806	78%	0.775	S	S	*	*				-150.5	140.3	96.9	-107.2	-23.9	0	0	0	113.6
1335	E	43.8	Very low	45.9	Very low	184.6 Å²	184.6	153.1 Å²	153.1	86%	0.863	78%	0.776	S	S	*	*			trans	-71.1	137.4	148.7	-66	-174	144.5	0	0	110.6
1336	G	47.1	Very low	46.5	Very low	74.8 Å²	74.8	151.8 Å²	151.8	77%	0.771	78%	0.779	S	S	*	*			trans	-150.1	75.2	-173.8	0	0	0	0	0	114.1	E1338	G1336-E1338 PolarHBondContact O-N 3.21Å
1337	D	40	Very low	46.7	Very low	153.2 Å²	153.2	151.1 Å²	151.1	82%	0.819	78%	0.78	S	S	*	*			trans	-61.7	122.6	162.1	-62.8	-43	0	0	0	113
1338	E	46.6	Very low	46.7	Very low	186.2 Å²	186.2	148.1 Å²	148.1	87%	0.87	78%	0.78	S	S	*	*			trans	-145.3	125.3	147.3	-82.2	-152.9	-179.5	0	0	113.2	G1336 Y1340	G1336-E1338 PolarHBondContact O-N 3.21Å; E1338-Y1340 PolarHBondContact O-N 3.4Å
1339	E	45	Very low	46.8	Very low	171.6 Å²	171.6	148.1 Å²	148.1	80%	0.802	78%	0.78	S	S	*	*			trans	-57.1	138.7	178.4	-66.1	178.3	124.4	0	0	114.9
1340	Y	49.1	Very low	46.8	Very low	202.4 Å²	202.4	147.2 Å²	147.2	79%	0.794	78%	0.779	S	S	*	*			trans	-46.2	139.6	144	-76.4	-87.2	0	0	0	114.1	E1338 E1342	E1338-Y1340 PolarHBondContact O-N 3.4Å; Y1340-E1342 PolarHBondContact O-N 2.88Å
1341	E	50.5	Low	46.6	Very low	179.8 Å²	179.8	145.1 Å²	145.1	84%	0.84	78%	0.775	S	S	*	*			trans	-116.1	139.2	136.9	-69.7	-149	148.1	0	0	113.2	R1294	R1294-E1341 IonicContact CZ-OE2 3.81Å; R1294-E1341 IonicContact NH1-OE1 2.95Å; R1294-E1341 IonicContact NH1-OE2 2.68Å; R1294-E1341 PolarHBondContact NH1-OE2 3.26Å
1342	E	46.2	Very low	46.2	Very low	160.2 Å²	160.2	144.7 Å²	144.7	75%	0.749	77%	0.773	S	S	*	*			trans	-99.5	134	176.3	-110.1	178.3	155.9	0	0	109.4	R1294 Y1340	R1294-E1342 IonicContact CZ-OE2 3.42Å; R1294-E1342 IonicContact NH2-OE2 3.41Å; R1294-E1342 PolarHBondContact NH2-OE2 3.32Å; Y1340-E1342 PolarHBondContact O-N 2.88Å
1343	D	49.7	Very low	46	Very low	143 Å²	143	146.5 Å²	146.5	77%	0.765	78%	0.775	S	S	*	*			trans	-158.4	129.7	162.2	-86.6	-32.8	0	0	0	109	A1293	A1293-D1343 WeakPolarHBondContact CB-OD1 3.12Å
1344	D	47.2	Very low	46	Very low	137.2 Å²	137.2	146 Å²	146	73%	0.734	77%	0.773	S	S	*	*				-110.5	156	60.7	-83.7	-48.9	0	0	0	113.2
1345	D	46.3	Very low	46.2	Very low	145 Å²	145	147.1 Å²	147.1	78%	0.775	77%	0.774	S	S	*	*			trans	-99.3	128.9	151.3	-78.4	-36.7	0	0	0	115.8
1346	V	52.2	Low	46.5	Very low	135.8 Å²	135.8	144.5 Å²	144.5	82%	0.823	77%	0.765	S	S	*	*			trans	-145	117.2	142.4	-129.5	0	0	0	0	114.2	G1348	V1346-G1348 PolarHBondContact O-N 3.2Å; V1346-G1348 VanDerWaalsContact O-N 3.11Å
1347	D	45.1	Very low	46.5	Very low	147 Å²	147	149 Å²	149	79%	0.786	76%	0.763	S	S	*	*			trans	-19.9	125.6	163.3	-67	-38.5	0	0	0	115.5	Q1703 I1704	D1347-Q1703 VanDerWaalsContact C-NE2 3.29Å; D1347-Q1703 PolarHBondContact O-NE2 2.91Å; D1347-I1704 HydrophobicContact CB-CD1 3.94Å; D1347-I1704 HydrophobicContact CB-CG1 4.33Å
1348	G	45.1	Very low	46.7	Very low	60.4 Å²	60.4	148.1 Å²	148.1	62%	0.623	76%	0.758	S	S	*	*				144.4	95.5	112.6	0	0	0	0	0	115.3	V1346 L1702 Q1703	V1346-G1348 PolarHBondContact O-N 3.2Å; V1346-G1348 VanDerWaalsContact O-N 3.11Å; G1348-L1702 WeakPolarHBondContact O-CB 3.43Å; G1348-Q1703 WeakPolarHBondContact O-CA 3.41Å; G1348-Q1703 WeakPolarHBondContact O-CB 3.2Å; G1348-Q1703 PolarHBondContact O-OE1 3.4Å; G1348-Q1703 VanDerWaalsContact O-OE1 3.12Å
1349	D	42.6	Very low	46.9	Very low	136.8 Å²	136.8	145.7 Å²	145.7	73%	0.732	75%	0.751	S	S	*	*			trans	131.7	131.4	132.3	-97.7	-19.9	0	0	0	111.7	L1702	D1349-L1702 HydrophobicContact CB-CB 3.93Å; D1349-L1702 VanDerWaalsContact CB-N 3.27Å; D1349-L1702 WeakPolarHBondContact OD2-CB 3.34Å; D1349-L1702 PolarHBondContact OD2-N 3.35Å
1350	L	50.1	Low	47.1	Very low	149.4 Å²	149.4	145.6 Å²	145.6	78%	0.782	75%	0.75	S	S	*	*				78.3	138.5	114.9	-77.2	146.3	0	0	0	113.1
1351	C	41.2	Very low	46.8	Very low	100.4 Å²	100.4	142.9 Å²	142.9	68%	0.678	75%	0.75	S	S	*	*			cis	-164.7	166.6	20.3	12.6	0	0	0	0	113.2
1352	D	42.5	Very low	46.8	Very low	135.6 Å²	135.6	142.3 Å²	142.3	73%	0.725	75%	0.747	S	S	*	*			trans	87.2	116.2	136.4	-59.9	-31.8	0	0	0	114.4
1353	F	41.9	Very low	47.1	Very low	174.6 Å²	174.6	142.9 Å²	142.9	77%	0.766	75%	0.752	S	S	*	*			trans	-141.3	57.3	151.1	-158.9	-99.1	0	0	0	111	E1355 L1356	F1353-E1355 PolarHBondContact O-N 3.14Å; F1353-E1355 VanDerWaalsContact O-N 3.16Å; F1353-L1356 HydrophobicContact CD2-CD1 4.23Å; F1353-L1356 HydrophobicContact CE1-CB 4.08Å; F1353-L1356 HydrophobicContact CE1-CD1 4.15Å; F1353-L1356 HydrophobicContact CE1-CG 4.12Å; F1353-L1356 HydrophobicContact CE2-CD1 3.64Å; F1353-L1356 VanDerWaalsContact CE2-CD1 3.46Å; F1353-L1356 HydrophobicContact CZ-CB 4.1Å; F1353-L1356 HydrophobicContact CZ-CD1 3.58Å; F1353-L1356 VanDerWaalsContact CZ-CD1 3.42Å; F1353-L1356 HydrophobicContact CZ-CG 4.07Å
1354	D	46.7	Very low	46.7	Very low	137.6 Å²	137.6	142.7 Å²	142.7	74%	0.736	75%	0.751	S	S	*	*			trans	-95.8	28.5	173.8	-76.6	-60.3	0	0	0	111.6	L1356 K1357	D1354-L1356 PolarHBondContact O-N 3.08Å; D1354-K1357 PolarHBondContact O-N 3.48Å; D1354-K1357 IonicContact OD1-NZ 2.88Å; D1354-K1357 PolarHBondContact OD1-NZ 3.47Å
1355	E	50.2	Low	46.3	Very low	173.8 Å²	173.8	142.9 Å²	142.9	81%	0.812	75%	0.752	S	S	*	*			trans	-125.6	41.3	161.5	-137.6	179.4	177.1	0	0	112.5	F1353	F1353-E1355 PolarHBondContact O-N 3.14Å; F1353-E1355 VanDerWaalsContact O-N 3.16Å
1356	L	50.8	Low	46.1	Very low	129 Å²	129	144.5 Å²	144.5	68%	0.675	76%	0.755	S	S	*	*			trans	-144.9	47.8	176.2	-69.6	175.6	0	0	0	113.8	F1353 D1354 L1359	F1353-L1356 HydrophobicContact CD2-CD1 4.23Å; F1353-L1356 HydrophobicContact CE1-CB 4.08Å; F1353-L1356 HydrophobicContact CE1-CD1 4.15Å; F1353-L1356 HydrophobicContact CE1-CG 4.12Å; F1353-L1356 HydrophobicContact CE2-CD1 3.64Å; F1353-L1356 VanDerWaalsContact CE2-CD1 3.46Å; F1353-L1356 HydrophobicContact CZ-CB 4.1Å; F1353-L1356 HydrophobicContact CZ-CD1 3.58Å; F1353-L1356 VanDerWaalsContact CZ-CD1 3.42Å; F1353-L1356 HydrophobicContact CZ-CG 4.07Å; D1354-L1356 PolarHBondContact O-N 3.08Å; L1356-L1359 HydrophobicContact CD2-CD1 4.18Å
1357	K	47	Very low	45.4	Very low	169.2 Å²	169.2	141.6 Å²	141.6	74%	0.736	75%	0.745	S	S	*	*	S	Bend	trans	-122	6.7	164.5	-153.7	-179.6	-175.7	173.6	0	112.8	D1354 L1359 E1360	D1354-K1357 PolarHBondContact O-N 3.48Å; D1354-K1357 IonicContact OD1-NZ 2.88Å; D1354-K1357 PolarHBondContact OD1-NZ 3.47Å; K1357-L1359 PolarHBondContact O-N 3.29Å; K1357-E1360 PolarHBondContact O-N 3.05Å
1358	D	45	Very low	45.1	Very low	134.8 Å²	134.8	143 Å²	143	72%	0.721	74%	0.744	S	S	*	*			trans	-110.4	28.6	-177.8	-61.9	-50	0	0	0	110.8	E1360 D1361 E1362	D1358-E1360 PolarHBondContact O-N 3.06Å; D1358-D1361 PolarHBondContact O-N 3.29Å; D1358-E1362 PolarHBondContact O-N 2.99Å
1359	L	50.2	Low	44.7	Very low	135.6 Å²	135.6	147.1 Å²	147.1	71%	0.71	75%	0.752	S	S	*	*	S	Bend	trans	-100.7	13.2	179.6	-82.8	158.7	0	0	0	116.5	L1356 K1357	L1356-L1359 HydrophobicContact CD2-CD1 4.18Å; K1357-L1359 PolarHBondContact O-N 3.29Å
1360	E	49.7	Very low	44.6	Very low	169.4 Å²	169.4	147.4 Å²	147.4	79%	0.792	75%	0.752	S	S	*	*	S	Bend	trans	-99.9	-8.6	161.6	-68.4	-169.6	147	0	0	111.8	K1357 D1358	K1357-E1360 PolarHBondContact O-N 3.05Å; D1358-E1360 PolarHBondContact O-N 3.06Å
1361	D	42.7	Very low	44.1	Very low	147 Å²	147	148.6 Å²	148.6	79%	0.786	75%	0.754	S	S	*	*	S	Bend	trans	-89.3	13.5	178.8	-74.3	-35.5	0	0	0	114.9	D1358 M1363 N1365	D1358-D1361 PolarHBondContact O-N 3.29Å; D1361-M1363 PolarHBondContact O-N 3.08Å; D1361-N1365 PolarHBondContact O-ND2 3.02Å
1362	E	50.4	Low	44.1	Very low	166.4 Å²	166.4	152.4 Å²	152.4	78%	0.778	76%	0.762	S	S	*	*	S	Bend	trans	-120.5	29.3	176.8	-145.8	176.3	-151.4	0	0	114.5	D1358	D1358-E1362 PolarHBondContact O-N 2.99Å
1363	M	52.1	Low	44.2	Very low	172.2 Å²	172.2	154.5 Å²	154.5	85%	0.848	77%	0.767	S	S	*	*	S	Bend	trans	-136.4	26.4	168.6	-144.5	173.8	60.7	0	0	115	D1361	D1361-M1363 PolarHBondContact O-N 3.08Å
1364	D	41.7	Very low	44	Very low	139.2 Å²	139.2	152.8 Å²	152.8	74%	0.744	77%	0.766	S	S	*	*	S	Bend	trans	-109.2	65	170.6	-94.9	-26.5	0	0	0	112
1365	N	39	Very low	43.6	Very low	141.2 Å²	141.2	154 Å²	154	76%	0.755	77%	0.772	S	S	*	*			trans	-175.1	149	176.8	-65.7	-78.7	0	0	0	113.7	D1361	D1361-N1365 PolarHBondContact O-ND2 3.02Å
1366	E	41.4	Very low	42.8	Very low	179.2 Å²	179.2	150.6 Å²	150.6	84%	0.837	77%	0.767	S	S	*	*			trans	88.2	86.8	-177.3	-61.2	-84.6	131.5	0	0	112.5
1367	A	37.8	Very low	42.1	Very low	75.4 Å²	75.4	148.8 Å²	148.8	62%	0.623	77%	0.77	S	S	*	*			trans	-136	118.3	131.7	0	0	0	0	0	113.3
1368	F	39.6	Very low	41.6	Very low	175 Å²	175	146.8 Å²	146.8	77%	0.768	77%	0.772	S	S	*	*			trans	100.9	132.2	164.5	-65	-69.6	0	0	0	113.3	I1370	F1368-I1370 HydrophobicContact CB-CD1 4.18Å; F1368-I1370 HydrophobicContact CB-CG1 3.98Å; F1368-I1370 HydrophobicContact CD1-CD1 3.55Å; F1368-I1370 HydrophobicContact CD1-CG1 3.55Å; F1368-I1370 HydrophobicContact CD2-CD1 3.85Å; F1368-I1370 HydrophobicContact CE1-CD1 3.74Å; F1368-I1370 HydrophobicContact CE1-CG1 4.12Å; F1368-I1370 HydrophobicContact CE2-CD1 4.02Å; F1368-I1370 HydrophobicContact CG-CD1 3.61Å; F1368-I1370 HydrophobicContact CG-CG1 3.8Å; F1368-I1370 HydrophobicContact CZ-CD1 3.97Å
1369	D	35.2	Very low	41.2	Very low	147.8 Å²	147.8	147.4 Å²	147.4	79%	0.79	78%	0.775	S	S	*	*			cis	-125.9	137.6	45.4	-78.4	-43.1	0	0	0	110
1370	I	40.5	Very low	40.5	Very low	142.8 Å²	142.8	148.1 Å²	148.1	73%	0.732	78%	0.779	S	S	*	*			trans	-163	115.8	152.4	-72.7	158.4	0	0	0	110.7	F1368 E1372	F1368-I1370 HydrophobicContact CB-CD1 4.18Å; F1368-I1370 HydrophobicContact CB-CG1 3.98Å; F1368-I1370 HydrophobicContact CD1-CD1 3.55Å; F1368-I1370 HydrophobicContact CD1-CG1 3.55Å; F1368-I1370 HydrophobicContact CD2-CD1 3.85Å; F1368-I1370 HydrophobicContact CE1-CD1 3.74Å; F1368-I1370 HydrophobicContact CE1-CG1 4.12Å; F1368-I1370 HydrophobicContact CE2-CD1 4.02Å; F1368-I1370 HydrophobicContact CG-CD1 3.61Å; F1368-I1370 HydrophobicContact CG-CG1 3.8Å; F1368-I1370 HydrophobicContact CZ-CD1 3.97Å; I1370-E1372 HydrophobicContact CG2-CG 4.05Å
1371	E	39.4	Very low	40	Very low	175 Å²	175	145.4 Å²	145.4	82%	0.818	78%	0.776	S	S	*	*				-2	130.8	128.1	-74.7	167.5	-174.3	0	0	114.1
1372	E	42	Very low	39.5	Very low	180.6 Å²	180.6	142.6 Å²	142.6	84%	0.844	77%	0.774	S	S	*	*				-62.1	137.1	95.7	-91.6	-178.7	157.4	0	0	110.9	I1370	I1370-E1372 HydrophobicContact CG2-CG 4.05Å
1373	E	44.1	Very low	38.8	Very low	179 Å²	179	139.2 Å²	139.2	84%	0.836	77%	0.774	S	S	*	*			trans	156.8	138.4	152	-94	-175.4	169.2	0	0	115.7
1374	D	38.2	Very low	38	Very low	137.6 Å²	137.6	139 Å²	139	74%	0.736	77%	0.771	S	S	*	*			trans	21	137.4	156.8	-90.7	-19.5	0	0	0	120.1
1375	L	38.6	Very low	37.6	Very low	164.8 Å²	164.8	139.8 Å²	139.8	86%	0.863	77%	0.77	S	S	*	*				-153.8	116.7	90.3	-74.6	170.1	0	0	0	115.9
1376	S	33.2	Very low	37.3	Very low	101.8 Å²	101.8	140.3 Å²	140.3	71%	0.712	77%	0.772	S	S	*	*			trans	-91.1	151.8	159.2	66.5	0	0	0	0	114.8
1377	A	36.5	Very low	36.9	Very low	90 Å²	90	137 Å²	137	74%	0.744	77%	0.765	S	S	*	*			trans	71.4	147.9	172.4	0	0	0	0	0	116.8
1378	T	36.9	Very low	36.7	Very low	127.8 Å²	127.8	139.2 Å²	139.2	78%	0.784	76%	0.762	S	S	*	*			cis	-155.4	135.2	37	-1.8	0	0	0	0	114.8
1379	L	36.6	Very low	36.4	Very low	148.2 Å²	148.2	140.4 Å²	140.4	78%	0.776	76%	0.761	S	S	*	*			trans	30.1	126.7	141.6	-62.6	162.9	0	0	0	116.9
1380	N	35.1	Very low	36.4	Very low	149.2 Å²	149.2	138.8 Å²	138.8	80%	0.798	76%	0.757	S	S	*	*				-174.8	139.1	106.3	-119.2	3	0	0	0	114.7
1381	P	38.5	Very low	36.1	Very low	112.6 Å²	112.6	136.9 Å²	136.9	73%	0.731	76%	0.756	S	S	*	*			trans	-108.1	155.3	-172.4	38.3	-31.2	0	0	0	114.6
1382	A	31.8	Very low	35.7	Very low	89.8 Å²	89.8	136.2 Å²	136.2	74%	0.742	75%	0.753	S	S	*	*			trans	-156.2	143.8	163.1	0	0	0	0	0	112.2	P2153	A1382-P2153 HydrophobicContact CB-CG 4.02Å
1383	A	37.4	Very low	35.2	Very low	94.4 Å²	94.4	135.2 Å²	135.2	78%	0.78	75%	0.752	S	S	*	*			trans	63.3	106.5	172.3	0	0	0	0	0	117.4
1384	H	34.1	Very low	34.7	Very low	167.8 Å²	167.8	134.8 Å²	134.8	78%	0.777	75%	0.747	S	S	*	*				75.5	141.1	69.9	-94.7	-71.1	0	0	0	115.6
1385	Q	33.8	Very low	34.3	Very low	155 Å²	155	136.2 Å²	136.2	72%	0.724	75%	0.751	S	S	*	*			trans	116.6	129.2	143.1	-80.8	170.4	93.4	0	0	114
1386	L	33.1	Very low	34.1	Very low	151.8 Å²	151.8	132.6 Å²	132.6	80%	0.795	74%	0.74	S	S	*	*				-128.2	148.6	90.8	-70.2	170.2	0	0	0	113.9
1387	T	32	Very low	33.9	Very low	111.4 Å²	111.4	137 Å²	137	68%	0.683	75%	0.749	S	S	*	*				178.2	144.9	119.1	-10	0	0	0	0	114.7
1388	E	34.2	Very low	33.7	Very low	121.6 Å²	121.6	136.4 Å²	136.4	57%	0.568	75%	0.752	S	S	*	*			trans	67.8	135.9	160.2	-71.9	-151.6	168.8	0	0	121.3
1389	R	33.3	Very low	33.5	Very low	199.2 Å²	199.2	135.4 Å²	135.4	75%	0.752	75%	0.75	S	S	*	*				161.4	142.2	82.2	-83.6	-161.1	-177.3	163.4	1.7	115.5	D1092	D1092-R1389 IonicContact OD1-CZ 3.78Å; D1092-R1389 IonicContact OD1-NH1 2.72Å; D1092-R1389 PolarHBondContact OD1-NH1 3.24Å; D1092-R1389 IonicContact OD1-NH2 3.02Å; D1092-R1389 PolarHBondContact OD1-NH2 2.96Å
1390	V	34.3	Very low	33.4	Very low	114.4 Å²	114.4	133.7 Å²	133.7	69%	0.693	75%	0.746	S	S	*	*			trans	-32.8	130.5	143.6	-157.1	0	0	0	0	114.8
1391	S	33.9	Very low	33.4	Very low	103.6 Å²	103.6	133.1 Å²	133.1	72%	0.724	74%	0.743	S	S	*	*				162.7	139.2	110.3	-50.8	0	0	0	0	114.6
1392	E	31.5	Very low	33.2	Very low	160.4 Å²	160.4	132 Å²	132	75%	0.75	74%	0.738	S	S	*	*				42	131.2	124.6	-87.2	179.2	163.6	0	0	116.1	S1675	E1392-S1675 PolarHBondContact O-OG 3.18Å
1393	I	31.4	Very low	33.3	Very low	158.8 Å²	158.8	134.6 Å²	134.6	81%	0.814	74%	0.739	S	S	*	*			trans	-154.9	112.9	137.4	-79.3	165.8	0	0	0	111.2	M1395 Q1674	I1393-M1395 HydrophobicContact CG2-CG 4.01Å; I1393-Q1674 PolarHBondContact O-OE1 3.29Å
1394	K	33.6	Very low	33.2	Very low	169.6 Å²	169.6	136.6 Å²	136.6	74%	0.737	74%	0.735	S	S	*	*			trans	42.5	123.6	142.4	-163.7	177.1	-179.1	176.3	0	115.3	S1396 Q1674	K1394-S1396 PolarHBondContact O-N 3.5Å; K1394-S1396 VanDerWaalsContact O-N 3.16Å; K1394-Q1674 PolarHBondContact O-OE1 2.94Å
1395	M	30.5	Very low	33.2	Very low	167.6 Å²	167.6	135.3 Å²	135.3	83%	0.826	73%	0.733	S	S	*	*			trans	-117.2	112.7	157.3	-62.1	-72.2	-79.6	0	0	110.3	I1393	I1393-M1395 HydrophobicContact CG2-CG 4.01Å
1396	S	33.4	Very low	33.2	Very low	88.6 Å²	88.6	136 Å²	136	62%	0.62	73%	0.734	S	S	*	*				-149.4	118	103.2	60.5	0	0	0	0	111.1	K1394 G1398	K1394-S1396 PolarHBondContact O-N 3.5Å; K1394-S1396 VanDerWaalsContact O-N 3.16Å; S1396-G1398 PolarHBondContact O-N 2.92Å
1397	E	30.2	Very low	33.2	Very low	194.4 Å²	194.4	134.5 Å²	134.5	91%	0.908	73%	0.731	S	S	*	*			trans	-23.6	142.5	131.4	-68.6	174.1	151	0	0	113.8
1398	G	32.4	Very low	33.3	Very low	77.6 Å²	77.6	136.9 Å²	136.9	80%	0.8	74%	0.735	S	S	*	*			trans	124.6	144.4	156.1	0	0	0	0	0	114	S1396	S1396-G1398 PolarHBondContact O-N 2.92Å
1399	S	32.9	Very low	33.4	Very low	107.4 Å²	107.4	138.8 Å²	138.8	75%	0.751	74%	0.741	S	S	*	*			cis	-158	141.7	16.5	-166.2	0	0	0	0	109.3
1400	T	33.3	Very low	33.6	Very low	111.6 Å²	111.6	134.3 Å²	134.3	69%	0.685	73%	0.732	S	S	*	*			trans	5	147.7	147.6	63.4	0	0	0	0	115.2
1401	D	34.9	Very low	33.6	Very low	138 Å²	138	135.8 Å²	135.8	74%	0.738	74%	0.736	S	S	*	*			cis	-149.7	157.1	32.8	-112.3	-47	0	0	0	109.3
1402	S	34.8	Very low	33.6	Very low	90 Å²	90	135.1 Å²	135.1	63%	0.629	74%	0.736	S	S	*	*				66.8	123.9	114.7	-58.6	0	0	0	0	116.3	I1404	S1402-I1404 WeakPolarHBondContact O-CD1 3.38Å; S1402-I1404 WeakPolarHBondContact O-CG1 3.24Å
1403	D	34.7	Very low	33.8	Very low	143.8 Å²	143.8	135.6 Å²	135.6	77%	0.769	74%	0.739	S	S	*	*			trans	103	152.9	135.4	-99.8	-32.6	0	0	0	113.1
1404	I	35.1	Very low	33.8	Very low	135.6 Å²	135.6	135.3 Å²	135.3	70%	0.695	74%	0.739	S	S	*	*				103.3	113.5	76.8	-73.6	162.1	0	0	0	112.9	S1402	S1402-I1404 WeakPolarHBondContact O-CD1 3.38Å; S1402-I1404 WeakPolarHBondContact O-CG1 3.24Å
1405	L	34.7	Very low	33.8	Very low	141.2 Å²	141.2	133.4 Å²	133.4	74%	0.739	74%	0.741	S	S	*	*				66.4	125.8	102.6	-89.4	174.4	0	0	0	116.3
1406	K	32.8	Very low	33.9	Very low	169.8 Å²	169.8	129.9 Å²	129.9	74%	0.738	73%	0.733	S	S	*	*			trans	153.4	152.7	-153.6	-104.3	155.8	179.8	165.7	0	112.5
1407	T	34.1	Very low	33.8	Very low	120.2 Å²	120.2	131.9 Å²	131.9	74%	0.737	74%	0.742	S	S	*	*			trans	76.5	132.2	145.6	56.6	0	0	0	0	117.8
1408	Q	33.3	Very low	33.8	Very low	161.4 Å²	161.4	129.9 Å²	129.9	75%	0.754	74%	0.737	S	S	*	*			cis	148	138.5	41.1	-145.8	-178.9	16.9	0	0	111	D1410	Q1408-D1410 PolarHBondContact NE2-OD2 3Å
1409	K	36.9	Very low	33.8	Very low	160.6 Å²	160.6	134.7 Å²	134.7	70%	0.698	74%	0.739	S	S	*	*				118.4	149	110.9	-152.5	177.2	162.5	-146.6	0	113.8
1410	D	36.9	Very low	33.7	Very low	106.4 Å²	106.4	134.6 Å²	134.6	57%	0.569	74%	0.737	S	S	*	*			trans	119.5	136.5	169.7	-79.8	-26.4	0	0	0	116.2	Q1408	Q1408-D1410 PolarHBondContact NE2-OD2 3Å
1411	N	33.5	Very low	33.5	Very low	146.2 Å²	146.2	135.8 Å²	135.8	78%	0.782	74%	0.744	S	S	*	*			trans	71.9	131.2	150.9	-54	-29.4	0	0	0	119
1412	A	35.1	Very low	33.3	Very low	87.8 Å²	87.8	134 Å²	134	73%	0.726	74%	0.742	S	S	*	*			cis	115.7	156.8	36.2	0	0	0	0	0	113.2
1413	E	35.9	Very low	33.1	Very low	170.6 Å²	170.6	140.8 Å²	140.8	80%	0.797	75%	0.754	S	S	*	*				-159.4	149.3	56.7	-64.9	-178.2	114.9	0	0	115.6
1414	N	30.6	Very low	33	Very low	153.4 Å²	153.4	142.1 Å²	142.1	82%	0.82	76%	0.755	S	S	*	*			trans	-48.8	137.4	151.7	-49.1	-46.9	0	0	0	115.4
1415	V	34	Very low	32.9	Very low	129.6 Å²	129.6	142.8 Å²	142.8	79%	0.785	76%	0.76	S	S	*	*			trans	-154	131.7	153	175.5	0	0	0	0	110.1
1416	S	31.6	Very low	32.8	Very low	94 Å²	94	141 Å²	141	66%	0.657	76%	0.759	S	S	*	*			trans	-89.7	129.5	176.2	-163.8	0	0	0	0	114.4
1417	V	32.6	Very low	32.8	Very low	131.2 Å²	131.2	137.2 Å²	137.2	80%	0.795	76%	0.759	S	S	*	*			trans	-126.9	123.2	154.8	-72.3	0	0	0	0	114.8
1418	D	30.4	Very low	32.7	Very low	150.6 Å²	150.6	137.9 Å²	137.9	81%	0.805	76%	0.763	S	S	*	*			trans	-91.7	154.8	158.1	-74.8	-69	0	0	0	113.5
1419	E	32.7	Very low	32.6	Very low	179 Å²	179	136.5 Å²	136.5	84%	0.836	76%	0.761	S	S	*	*			trans	98	129	153.6	-110.3	-174.8	98.8	0	0	117.9	V1421	E1419-V1421 HydrophobicContact CG-CG2 4.45Å
1420	C	29.1	Very low	32.5	Very low	106.2 Å²	106.2	139.1 Å²	139.1	72%	0.718	77%	0.767	S	S	*	*			trans	48.2	114	145.4	-77.9	0	0	0	0	118.7
1421	V	29.8	Very low	32.2	Very low	136.6 Å²	136.6	140.4 Å²	140.4	83%	0.828	77%	0.774	S	S	*	*			trans	-110.7	104.3	145.1	-156.9	0	0	0	0	114.3	E1419	E1419-V1421 HydrophobicContact CG-CG2 4.45Å
1422	S	29.9	Very low	32.2	Very low	100.2 Å²	100.2	139.2 Å²	139.2	70%	0.701	77%	0.768	S	S	*	*			trans	-156.7	134.1	151.3	-74	0	0	0	0	110.5
1423	R	30.5	Very low	32	Very low	233.2 Å²	233.2	140.6 Å²	140.6	88%	0.88	76%	0.763	S	S	*	*			trans	65.2	133	138.2	-65.4	171.6	136	163.7	1.7	114.3
1424	E	33.9	Very low	31.9	Very low	170.8 Å²	170.8	140.9 Å²	140.9	80%	0.798	77%	0.765	S	S	*	*				-138.9	145.3	78.8	-83.8	-163.4	116.9	0	0	109.4
1425	L	33.3	Very low	31.9	Very low	149.8 Å²	149.8	137.5 Å²	137.5	78%	0.784	76%	0.758	S	S	*	*				86.8	146	84.5	-60	175.7	0	0	0	114
1426	S	32.2	Very low	31.8	Very low	104.2 Å²	104.2	139.6 Å²	139.6	73%	0.729	76%	0.761	S	S	*	*			cis	-161	140.9	14.7	50.5	0	0	0	0	109.3
1427	A	31.3	Very low	31.9	Very low	89.2 Å²	89.2	140 Å²	140	74%	0.737	76%	0.764	S	S	*	*				81.2	137.2	105.5	0	0	0	0	0	114.6
1428	V	33.8	Very low	31.8	Very low	135.6 Å²	135.6	138.4 Å²	138.4	82%	0.822	76%	0.758	S	S	*	*				-132	133.2	105.2	-140.4	0	0	0	0	111.2
1429	D	30.9	Very low	31.9	Very low	131.8 Å²	131.8	142.5 Å²	142.5	71%	0.705	76%	0.763	S	S	*	*			trans	-78.5	168.5	162.4	-70.8	-64.1	0	0	0	113	N1431	D1429-N1431 PolarHBondContact O-N 3.04Å
1430	Y	34.3	Very low	31.8	Very low	214.4 Å²	214.4	139.9 Å²	139.9	84%	0.841	76%	0.759	S	S	*	*				-153.3	121.4	126.3	-94.5	-82.6	0	0	0	113.1
1431	N	31.3	Very low	32.1	Very low	133.4 Å²	133.4	139.9 Å²	139.9	71%	0.713	76%	0.759	S	S	*	*				-121.3	137.8	128.7	-165.7	53.1	0	0	0	113.4	D1429 N1433	D1429-N1431 PolarHBondContact O-N 3.04Å; N1431-N1433 PolarHBondContact OD1-N 3.18Å
1432	D	33.8	Very low	32.3	Very low	120.8 Å²	120.8	138.7 Å²	138.7	65%	0.646	75%	0.754	S	S	*	*			trans	-148	141	136.1	-115.9	-17.4	0	0	0	117.4
1433	N	30.4	Very low	32.5	Very low	118.6 Å²	118.6	139.5 Å²	139.5	63%	0.634	76%	0.757	S	S	*	*			trans	57.8	131.4	142.5	-80.3	-50.9	0	0	0	123	N1431	N1431-N1433 PolarHBondContact OD1-N 3.18Å
1434	Q	32.9	Very low	32.6	Very low	176.8 Å²	176.8	134.4 Å²	134.4	83%	0.826	75%	0.752	S	S	*	*			trans	75.2	130.5	146.3	-67.5	172.9	88.4	0	0	119.2
1435	A	31.8	Very low	32.3	Very low	81.2 Å²	81.2	132.9 Å²	132.9	67%	0.671	75%	0.749	S	S	*	*			cis	116.2	149.4	49.2	0	0	0	0	0	116.6
1436	M	31.9	Very low	32.2	Very low	174.8 Å²	174.8	130.4 Å²	130.4	86%	0.861	74%	0.744	S	S	*	*			trans	72.4	129.9	158.9	-54.3	-76.6	174.3	0	0	118.4
1437	S	32.4	Very low	32	Very low	102 Å²	102	132.9 Å²	132.9	71%	0.713	75%	0.749	S	S	*	*			cis	115.8	118.1	49.9	-100.3	0	0	0	0	115.5
1438	S	31.6	Very low	32	Very low	96.6 Å²	96.6	133.1 Å²	133.1	68%	0.676	75%	0.745	S	S	*	*			trans	73.9	132.6	139.5	49.4	0	0	0	0	114.7
1439	R	31.9	Very low	31.8	Very low	238 Å²	238	134.5 Å²	134.5	90%	0.898	74%	0.743	S	S	*	*			trans	-144.6	118.6	140.6	-90	174.5	-177.1	-131.9	0.5	110.5
1440	T	31.4	Very low	31.9	Very low	124 Å²	124	134.4 Å²	134.4	76%	0.761	74%	0.742	S	S	*	*			trans	67.2	117.5	144.6	-29.9	0	0	0	0	114.1
1441	C	33.8	Very low	31.8	Very low	106.6 Å²	106.6	130.3 Å²	130.3	72%	0.72	74%	0.735	S	S	*	*			trans	-63	150.1	149	-54.7	0	0	0	0	111.3
1442	P	35.1	Very low	31.7	Very low	109.8 Å²	109.8	134.4 Å²	134.4	71%	0.713	74%	0.742	S	S	*	*			trans	-111	167.8	157.4	19.2	-4.3	0	0	0	112.2	V1444	P1442-V1444 HydrophobicContact CB-CG2 3.95Å; P1442-V1444 HydrophobicContact CG-CG2 3.85Å; P1442-V1444 PolarHBondContact O-N 3.04Å; P1442-V1444 VanDerWaalsContact O-N 3.09Å
1443	P	34.8	Very low	31.4	Very low	118.2 Å²	118.2	138.4 Å²	138.4	77%	0.768	75%	0.748	S	S	*	*			trans	-87.6	145.8	-180	31.8	-26.1	0	0	0	111.2	N1445	P1443-N1445 PolarHBondContact O-N 3.29Å
1444	V	31.2	Very low	31.4	Very low	126.8 Å²	126.8	139.7 Å²	139.7	77%	0.768	75%	0.754	S	S	*	*			trans	-120.9	132.8	158.1	-162	0	0	0	0	110.9	P1442 S1446	P1442-V1444 HydrophobicContact CB-CG2 3.95Å; P1442-V1444 HydrophobicContact CG-CG2 3.85Å; P1442-V1444 PolarHBondContact O-N 3.04Å; P1442-V1444 VanDerWaalsContact O-N 3.09Å; V1444-S1446 PolarHBondContact O-N 3.06Å; V1444-S1446 VanDerWaalsContact O-N 3.15Å
1445	N	27.2	Very low	31.3	Very low	138.6 Å²	138.6	136.7 Å²	136.7	74%	0.741	75%	0.748	S	S	*	*			trans	-114.9	131	-162.8	-173.6	9.6	0	0	0	110.1	P1443 N1447	P1443-N1445 PolarHBondContact O-N 3.29Å; N1445-N1447 PolarHBondContact O-N 3.07Å
1446	S	31.6	Very low	31.2	Very low	97.6 Å²	97.6	137.5 Å²	137.5	68%	0.683	75%	0.748	S	S	*	*			trans	175.2	126.9	165.7	-67.4	0	0	0	0	114.2	V1444 S1448	V1444-S1446 PolarHBondContact O-N 3.06Å; V1444-S1446 VanDerWaalsContact O-N 3.15Å; S1446-S1448 VanDerWaalsContact C-N 3.29Å; S1446-S1448 PolarHBondContact O-N 2.99Å
1447	N	28.4	Very low	31.2	Very low	155.4 Å²	155.4	135.4 Å²	135.4	83%	0.831	75%	0.745	S	S	*	*			trans	-100.5	129.2	139.9	-98.9	-8.1	0	0	0	111.4	N1445	N1445-N1447 PolarHBondContact O-N 3.07Å
1448	S	31.3	Very low	31	Very low	93.8 Å²	93.8	135.2 Å²	135.2	66%	0.656	74%	0.744	S	S	*	*			trans	-149.9	131	153.3	-151.9	0	0	0	0	111.4	S1446 D1450	S1446-S1448 VanDerWaalsContact C-N 3.29Å; S1446-S1448 PolarHBondContact O-N 2.99Å; S1448-D1450 VanDerWaalsContact CB-OD2 3.31Å; S1448-D1450 WeakPolarHBondContact CB-OD2 3.4Å; S1448-D1450 PolarHBondContact O-N 3.42Å; S1448-D1450 PolarHBondContact OG-OD2 2.92Å
1449	Q	29.8	Very low	31	Very low	166.2 Å²	166.2	136.8 Å²	136.8	78%	0.777	75%	0.75	S	S	*	*			trans	-69.7	113.1	146.3	-65.7	-176	-76.1	0	0	112.6	N1451	Q1449-N1451 PolarHBondContact O-N 3.36Å; Q1449-N1451 PolarHBondContact O-ND2 3.22Å
1450	D	33.6	Very low	30.9	Very low	129.2 Å²	129.2	129.8 Å²	129.8	69%	0.691	74%	0.737	S	S	*	*			trans	-133	114	157.9	-78.2	-42.9	0	0	0	112.2	S1448 Y1452	S1448-D1450 VanDerWaalsContact CB-OD2 3.31Å; S1448-D1450 WeakPolarHBondContact CB-OD2 3.4Å; S1448-D1450 PolarHBondContact O-N 3.42Å; S1448-D1450 PolarHBondContact OG-OD2 2.92Å; D1450-Y1452 PolarHBondContact O-N 2.87Å; D1450-Y1452 VanDerWaalsContact O-N 3.11Å
1451	N	31.1	Very low	30.8	Very low	128.2 Å²	128.2	131.7 Å²	131.7	69%	0.686	74%	0.737	S	S	*	*				31	102.1	127.9	-89.4	-59.8	0	0	0	113.8	Q1449 R1453	Q1449-N1451 PolarHBondContact O-N 3.36Å; Q1449-N1451 PolarHBondContact O-ND2 3.22Å; N1451-R1453 PolarHBondContact O-N 3.07Å
1452	Y	30.4	Very low	30.6	Very low	219.4 Å²	219.4	134.1 Å²	134.1	86%	0.86	74%	0.742	S	S	*	*			trans	-54.3	104.6	146	-71.3	-78.1	0	0	0	112.6	D1450	D1450-Y1452 PolarHBondContact O-N 2.87Å; D1450-Y1452 VanDerWaalsContact O-N 3.11Å
1453	R	27.4	Very low	30.3	Very low	204.8 Å²	204.8	133.9 Å²	133.9	77%	0.773	74%	0.743	S	S	*	*				-135.7	135.7	117.2	-146.9	-178.7	-176.4	-136.6	0.4	111.2	N1451 T1455	N1451-R1453 PolarHBondContact O-N 3.07Å; R1453-T1455 VanDerWaalsContact C-N 3.28Å; R1453-T1455 WeakPolarHBondContact CD-OG1 3.39Å; R1453-T1455 HydrophobicContact CG-CG2 4.09Å; R1453-T1455 PolarHBondContact O-N 2.95Å
1454	L	30.9	Very low	30.4	Very low	146.2 Å²	146.2	132.7 Å²	132.7	77%	0.765	74%	0.735	S	S	*	*			trans	-56.1	123.2	155.5	-70.1	164	0	0	0	111.3
1455	T	29.7	Very low	30.4	Very low	113.2 Å²	113.2	134.8 Å²	134.8	69%	0.694	74%	0.735	S	S	*	*				-154.8	134.1	84	30.6	0	0	0	0	112.9	R1453	R1453-T1455 VanDerWaalsContact C-N 3.28Å; R1453-T1455 WeakPolarHBondContact CD-OG1 3.39Å; R1453-T1455 HydrophobicContact CG-CG2 4.09Å; R1453-T1455 PolarHBondContact O-N 2.95Å
1456	S	30.1	Very low	30.6	Very low	97.2 Å²	97.2	132 Å²	132	68%	0.68	73%	0.725	S	S	*	*			trans	-95.2	161.2	153.2	52.3	0	0	0	0	112	S1458	S1456-S1458 PolarHBondContact O-N 3.08Å; S1456-S1458 PolarHBondContact O-OG 2.7Å
1457	V	31.3	Very low	30.6	Very low	131.4 Å²	131.4	134.5 Å²	134.5	80%	0.796	73%	0.726	S	S	*	*				-142.5	117.4	129.8	-175.3	0	0	0	0	107.8	V1459	V1457-V1459 PolarHBondContact O-N 3.29Å
1458	S	29.4	Very low	30.6	Very low	98.6 Å²	98.6	133 Å²	133	69%	0.69	72%	0.719	S	S	*	*				51.1	125.2	90.6	-62.6	0	0	0	0	113.8	S1456 S1460	S1456-S1458 PolarHBondContact O-N 3.08Å; S1456-S1458 PolarHBondContact O-OG 2.7Å; S1458-S1460 PolarHBondContact O-N 2.79Å
1459	V	30.7	Very low	30.6	Very low	130.2 Å²	130.2	135.3 Å²	135.3	79%	0.789	72%	0.723	S	S	*	*			cis	-127.4	154	38	-159.6	0	0	0	0	111	V1457 Q1461	V1457-V1459 PolarHBondContact O-N 3.29Å; V1459-Q1461 HydrophobicContact CG1-CG 4.31Å
1460	S	29.4	Very low	30.6	Very low	91.4 Å²	91.4	132.4 Å²	132.4	64%	0.639	72%	0.716	S	S	*	*				-167.3	139.4	121.1	-98	0	0	0	0	111.9	S1458	S1458-S1460 PolarHBondContact O-N 2.79Å
1461	Q	29.3	Very low	30.4	Very low	162 Å²	162	132.3 Å²	132.3	76%	0.757	72%	0.715	S	S	*	*				73.5	136.5	65.8	-75.6	179.4	54.1	0	0	114.7	V1459	V1459-Q1461 HydrophobicContact CG1-CG 4.31Å
1462	L	30.7	Very low	30.3	Very low	157.2 Å²	157.2	130.5 Å²	130.5	82%	0.823	71%	0.713	S	S	*	*				159.2	139.3	106	-70.1	159	0	0	0	111.6
1463	S	27.9	Very low	30.4	Very low	105.8 Å²	105.8	127.6 Å²	127.6	74%	0.74	71%	0.712	S	S	*	*				115	150.2	59.4	-151.2	0	0	0	0	113.7
1464	P	37.6	Very low	30.8	Very low	93.2 Å²	93.2	124.7 Å²	124.7	61%	0.605	71%	0.712	S	S	*	*			trans	-114.4	-178.6	-156	40.8	-31.7	0	0	0	115.9
1465	K	30	Very low	31.4	Very low	172.2 Å²	172.2	122.7 Å²	122.7	75%	0.749	71%	0.707	S	S	*	*			trans	117.7	157.9	151.7	-84.4	163.6	-175.9	-177.7	0	114.8
1466	S	32.4	Very low	31.6	Very low	78.8 Å²	78.8	121.6 Å²	121.6	55%	0.551	70%	0.704	S	S	*	*			cis	-170.1	139	-35.2	21.2	0	0	0	0	116.7
1467	Q	31.6	Very low	31.8	Very low	149.2 Å²	149.2	122.7 Å²	122.7	70%	0.697	71%	0.706	S	S	*	*			trans	71.7	142.6	147.3	-68.8	163.6	12	0	0	118.7
1468	N	29	Very low	31.8	Very low	125.4 Å²	125.4	122.8 Å²	122.8	67%	0.671	70%	0.703	S	S	*	*				101.4	137	66.8	-79.8	-27.1	0	0	0	114.5
1469	L	29.9	Very low	32	Very low	141.8 Å²	141.8	123.2 Å²	123.2	74%	0.742	70%	0.701	S	S	*	*				167.1	141.6	70.1	-83.8	148.1	0	0	0	113.7	D1757	L1469-D1757 WeakPolarHBondContact O-CB 3.31Å
1470	V	29.6	Very low	32	Very low	104.4 Å²	104.4	123.2 Å²	123.2	63%	0.633	70%	0.701	S	S	*	*				2.8	145.7	115.8	-79.2	0	0	0	0	116	D1757 V1758 C1759	V1470-D1757 VanDerWaalsContact C-CB 3.47Å; V1470-D1757 VanDerWaalsContact C-OD2 3.26Å; V1470-D1757 WeakPolarHBondContact CA-OD2 2.94Å; V1470-D1757 PolarHBondContact N-OD2 3.41Å; V1470-D1757 CarbonylContact O-C 3.52Å; V1470-V1758 CarbonylContact O-C 3.41Å; V1470-V1758 WeakPolarHBondContact O-CA 3.26Å; V1470-V1758 PolarHBondContact O-N 3.3Å; V1470-C1759 HydrophobicContact CB-CB 3.77Å; V1470-C1759 HydrophobicContact CG2-CB 3.44Å; V1470-C1759 VanDerWaalsContact CG2-CB 3.44Å; V1470-C1759 PolarHBondContact O-N 3.26Å
1471	N	29.6	Very low	32	Very low	127 Å²	127	123.9 Å²	123.9	68%	0.679	71%	0.706	S	S	*	*				115.1	152.8	109.2	-90.1	4.7	0	0	0	118.4	D1757 V1758 C1759	N1471-D1757 VanDerWaalsContact CA-OD1 3.22Å; N1471-D1757 WeakPolarHBondContact CA-OD1 3.33Å; N1471-D1757 PolarHBondContact N-OD1 3.26Å; N1471-D1757 PolarHBondContact N-OD2 3.48Å; N1471-D1757 VanDerWaalsContact N-OD2 3.08Å; N1471-D1757 CarbonylContact O-C 3.58Å; N1471-D1757 VanDerWaalsContact O-CA 3.23Å; N1471-D1757 WeakPolarHBondContact O-CA 2.99Å; N1471-V1758 VanDerWaalsContact CB-C 3.47Å; N1471-V1758 VanDerWaalsContact CB-O 3.28Å; N1471-V1758 WeakPolarHBondContact CB-O 3.31Å; N1471-V1758 PolarHBondContact O-N 3.37Å; N1471-C1759 HydrophobicContact CB-CB 3.61Å; N1471-C1759 WeakPolarHBondContact OD1-CB 3.42Å; N1471-C1759 PolarHBondContact OD1-SG 2.69Å
1472	S	29.8	Very low	32.1	Very low	92 Å²	92	120 Å²	120	64%	0.643	70%	0.701	S	S	*	*				119.3	153.4	60.5	-141	0	0	0	0	115.9
1473	L	33.2	Very low	32.1	Very low	158 Å²	158	121.4 Å²	121.4	83%	0.827	70%	0.704	S	S	*	*			trans	117.2	117.9	139.5	-79.3	149.2	0	0	0	115.5
1474	D	34.8	Very low	32.3	Very low	144.2 Å²	144.2	120.4 Å²	120.4	77%	0.771	70%	0.701	S	S	*	*			trans	-50.6	157	135.3	-153.7	16.5	0	0	0	111.8	S1476	D1474-S1476 PolarHBondContact OD1-N 3.44Å
1475	P	43.3	Very low	32	Very low	103.8 Å²	103.8	120 Å²	120	67%	0.674	71%	0.706	S	S	*	*				-142.7	170.8	99.5	39.3	-21.3	0	0	0	115.6
1476	S	33.4	Very low	31.9	Very low	90 Å²	90	122.6 Å²	122.6	63%	0.629	71%	0.711	S	S	*	*				99.9	149.7	99.7	54	0	0	0	0	117.3	D1474	D1474-S1476 PolarHBondContact OD1-N 3.44Å
1477	V	34.5	Very low	31.9	Very low	120.4 Å²	120.4	124.3 Å²	124.3	73%	0.73	72%	0.718	S	S	*	*				50.1	151	114.6	-70.5	0	0	0	0	116.1
1478	D	32.7	Very low	31.8	Very low	134 Å²	134	121 Å²	121	72%	0.717	71%	0.711	S	S	*	*			cis	-149.9	155	45.7	-96.1	-36.7	0	0	0	112.4
1479	T	31.7	Very low	31.8	Very low	106.4 Å²	106.4	121.3 Å²	121.3	65%	0.653	71%	0.713	S	S	*	*			cis	103	146.6	41.2	-18.1	0	0	0	0	110.9
1480	V	31.4	Very low	31.8	Very low	130 Å²	130	120.5 Å²	120.5	79%	0.788	71%	0.714	S	S	*	*				170.9	154.9	88.1	-129.5	0	0	0	0	114.5
1481	S	29.7	Very low	31.7	Very low	106.6 Å²	106.6	120.7 Å²	120.7	75%	0.745	72%	0.715	S	S	*	*				-64	162.8	114.5	-76.7	0	0	0	0	115.4
1482	A	31.3	Very low	31.7	Very low	80 Å²	80	122.4 Å²	122.4	66%	0.661	72%	0.719	S	S	*	*			cis	153.3	158.4	33.6	0	0	0	0	0	111.4
1483	E	30.3	Very low	31.7	Very low	186.6 Å²	186.6	122.6 Å²	122.6	87%	0.872	72%	0.72	S	S	*	*			cis	167.7	155.6	48.9	-110.1	179.5	111.9	0	0	112.1
1484	A	31.4	Very low	31.6	Very low	83.4 Å²	83.4	119.7 Å²	119.7	69%	0.689	71%	0.713	S	S	*	*				-155.9	144.2	51.5	0	0	0	0	0	114.7
1485	A	31.3	Very low	31.3	Very low	85.2 Å²	85.2	119.4 Å²	119.4	70%	0.704	71%	0.711	S	S	*	*				65.9	147.8	106.4	0	0	0	0	0	117.7
1486	R	29.8	Very low	30.8	Very low	227.6 Å²	227.6	121.7 Å²	121.7	86%	0.859	71%	0.71	S	S	*	*				148.4	137.5	76.5	-86.8	-177.6	-176.2	-178.5	1.4	114.8
1487	V	31.5	Very low	30.8	Very low	113.4 Å²	113.4	123.2 Å²	123.2	69%	0.687	71%	0.708	S	S	*	*				48.1	130	123.5	-120.3	0	0	0	0	118.4	P1692	V1487-P1692 HydrophobicContact CB-CG 4.4Å; V1487-P1692 HydrophobicContact CG1-CG 4.03Å
1488	S	29.2	Very low	30.8	Very low	81 Å²	81	124.7 Å²	124.7	57%	0.566	71%	0.711	S	S	*	*				149.6	155.2	77	-64.7	0	0	0	0	113.3	S1691	S1488-S1691 WeakPolarHBondContact CA-OG 3.19Å; S1488-S1691 WeakPolarHBondContact CB-OG 3.41Å; S1488-S1691 PolarHBondContact OG-OG 3.35Å
1489	N	28.6	Very low	30.8	Very low	131.2 Å²	131.2	121.3 Å²	121.3	70%	0.702	71%	0.708	S	S	*	*				93.9	147.2	126.6	-68.6	-17.7	0	0	0	113.8
1490	V	29.8	Very low	31.4	Very low	124.4 Å²	124.4	121.7 Å²	121.7	75%	0.754	71%	0.712	S	S	*	*				88.6	133.9	60.1	-176	0	0	0	0	114.6
1491	V	28.7	Very low	31.4	Very low	109.8 Å²	109.8	123.2 Å²	123.2	67%	0.665	71%	0.71	S	S	*	*			trans	85.9	143.4	160.9	173	0	0	0	0	117
1492	H	29.1	Very low	31.6	Very low	162.6 Å²	162.6	124.2 Å²	124.2	75%	0.753	71%	0.706	S	S	*	*			trans	95.9	139.8	160.6	-72.3	-46.3	0	0	0	114.7
1493	S	30.3	Very low	31.6	Very low	96.8 Å²	96.8	126 Å²	126	68%	0.677	70%	0.704	S	S	*	*			cis	139	136.7	2.8	-84.9	0	0	0	0	112.4
1494	S	30.8	Very low	31.7	Very low	95.6 Å²	95.6	123.2 Å²	123.2	67%	0.669	69%	0.694	S	S	*	*			trans	146.9	141.7	140.4	-63	0	0	0	0	114.5
1495	N	29.5	Very low	31.8	Very low	137.6 Å²	137.6	126.2 Å²	126.2	74%	0.736	70%	0.698	S	S	*	*				72.1	145.4	61.4	-86.2	-24.1	0	0	0	114	D1672	N1495-D1672 CarbonylContact C-O 3.08Å
1496	K	32.9	Very low	31.8	Very low	152.4 Å²	152.4	127.1 Å²	127.1	66%	0.663	70%	0.699	S	S	*	*			trans	169.9	154	136	-75.8	173.3	172.2	-135.7	0	113.8	P1670 F1671 D1672	K1496-P1670 HydrophobicContact CB-CB 4.45Å; K1496-P1670 VanDerWaalsContact CD-C 3.45Å; K1496-P1670 HydrophobicContact CD-CB 4.35Å; K1496-P1670 WeakPolarHBondContact CD-O 3.4Å; K1496-P1670 WeakPolarHBondContact CE-O 3.38Å; K1496-P1670 HydrophobicContact CG-CB 3.94Å; K1496-P1670 PolarHBondContact NZ-O 2.65Å; K1496-F1671 VanDerWaalsContact CD-C 3.43Å; K1496-F1671 WeakPolarHBondContact CD-O 3.41Å; K1496-D1672 VanDerWaalsContact CB-N 3.26Å; K1496-D1672 PolarHBondContact N-O 3.47Å
1497	E	32.7	Very low	31.9	Very low	121.8 Å²	121.8	120.2 Å²	120.2	57%	0.569	69%	0.691	S	S	*	*				-128.5	159	111.9	-80.8	157.5	144	0	0	113.2	P1670 F1671 D1672 N1673 H1679 L1680	E1497-P1670 VanDerWaalsContact OE1-CB 3.28Å; E1497-P1670 WeakPolarHBondContact OE1-CB 3.16Å; E1497-P1670 WeakPolarHBondContact OE1-CG 3.16Å; E1497-F1671 PolarHBondContact OE1-N 3.04Å; E1497-F1671 WeakPolarHBondContact OE2-CA 3.39Å; E1497-F1671 PolarHBondContact OE2-N 3.05Å; E1497-D1672 PolarHBondContact OE2-N 3.41Å; E1497-N1673 WeakPolarHBondContact O-CA 3.4Å; E1497-N1673 PolarHBondContact O-OD1 3.19Å; E1497-H1679 VanDerWaalsContact CG-CE1 3.49Å; E1497-H1679 WeakPolarHBondContact CG-CE1 3.39Å; E1497-H1679 IonicContact OE1-CE1 3.36Å; E1497-H1679 PolarHBondContact OE1-CE1 3.08Å; E1497-H1679 IonicContact OE1-ND1 3.02Å; E1497-H1679 PolarHBondContact OE1-ND1 3.18Å; E1497-L1680 VanDerWaalsContact CD-CG 3.43Å; E1497-L1680 HydrophobicContact CG-CD2 4.37Å; E1497-L1680 HydrophobicContact CG-CG 4.02Å; E1497-L1680 WeakPolarHBondContact OE1-CD2 3.49Å; E1497-L1680 VanDerWaalsContact OE1-CG 3.29Å; E1497-L1680 WeakPolarHBondContact OE1-CG 3.33Å; E1497-L1680 WeakPolarHBondContact OE2-CD2 3.15Å
1498	L	33.4	Very low	31.9	Very low	152.4 Å²	152.4	123.5 Å²	123.5	80%	0.798	70%	0.699	S	S	*	*				-175.6	161.1	98.3	-82.5	149.4	0	0	0	115.7	N1673 H1679	L1498-N1673 VanDerWaalsContact CA-ND2 3.35Å; L1498-N1673 WeakPolarHBondContact CA-ND2 3.42Å; L1498-N1673 WeakPolarHBondContact CB-ND2 3.46Å; L1498-N1673 WeakPolarHBondContact CB-OD1 3.42Å; L1498-N1673 WeakPolarHBondContact CD2-ND2 3.15Å; L1498-N1673 PolarHBondContact N-ND2 3.41Å; L1498-N1673 VanDerWaalsContact N-ND2 3.16Å; L1498-N1673 PolarHBondContact N-OD1 2.86Å; L1498-N1673 VanDerWaalsContact N-OD1 3.13Å; L1498-H1679 WeakPolarHBondContact CD2-NE2 3.47Å; L1498-H1679 WeakPolarHBondContact CG-NE2 3.15Å
1499	G	33.6	Very low	32.1	Very low	63.4 Å²	63.4	124.4 Å²	124.4	65%	0.654	71%	0.705	S	S	*	*				-159	149	104.3	0	0	0	0	0	114.1	H1501	G1499-H1501 PolarHBondContact O-N 3.17Å
1500	P	43.2	Very low	32.4	Very low	113.4 Å²	113.4	123.3 Å²	123.3	74%	0.736	71%	0.705	S	S	*	*			trans	-98.5	157.4	-173.3	29.3	-23.2	0	0	0	114.2	I1502 P1677	P1500-I1502 PolarHBondContact O-N 2.96Å; P1500-P1677 HydrophobicContact CB-CB 3.93Å; P1500-P1677 HydrophobicContact CB-CG 3.49Å; P1500-P1677 VanDerWaalsContact CB-CG 3.49Å; P1500-P1677 HydrophobicContact CG-CG 3.95Å
1501	H	32.4	Very low	32.5	Very low	162.6 Å²	162.6	124.7 Å²	124.7	75%	0.753	70%	0.703	S	S	*	*			trans	-160.3	141.5	148.8	-118.3	-116.2	0	0	0	110.3	G1499 D1503	G1499-H1501 PolarHBondContact O-N 3.17Å; H1501-D1503 IonicContact CE1-OD1 2.67Å; H1501-D1503 PolarHBondContact CE1-OD1 3.12Å; H1501-D1503 IonicContact CE1-OD2 2.94Å; H1501-D1503 PolarHBondContact CE1-OD2 2.79Å; H1501-D1503 IonicContact CG-OD2 3.91Å; H1501-D1503 VanDerWaalsContact ND1-CG 3.3Å; H1501-D1503 IonicContact ND1-OD1 3.94Å; H1501-D1503 PolarHBondContact ND1-OD1 3.31Å; H1501-D1503 IonicContact ND1-OD2 3.78Å; H1501-D1503 PolarHBondContact ND1-OD2 3.18Å
1502	I	33.1	Very low	32.6	Very low	128 Å²	128	125.5 Å²	125.5	66%	0.656	70%	0.7	S	S	*	*				157.6	146.1	93.6	-89	-177.9	0	0	0	110.2	P1500 L1504	P1500-I1502 PolarHBondContact O-N 2.96Å; I1502-L1504 HydrophobicContact CG2-CD1 4.41Å
1503	D	32.1	Very low	32.7	Very low	117 Å²	117	124.7 Å²	124.7	63%	0.626	70%	0.696	S	S	*	*			cis	149.5	166.5	38.3	-97.9	-25.9	0	0	0	115.4	H1501	H1501-D1503 IonicContact CE1-OD1 2.67Å; H1501-D1503 PolarHBondContact CE1-OD1 3.12Å; H1501-D1503 IonicContact CE1-OD2 2.94Å; H1501-D1503 PolarHBondContact CE1-OD2 2.79Å; H1501-D1503 IonicContact CG-OD2 3.91Å; H1501-D1503 VanDerWaalsContact ND1-CG 3.3Å; H1501-D1503 IonicContact ND1-OD1 3.94Å; H1501-D1503 PolarHBondContact ND1-OD1 3.31Å; H1501-D1503 IonicContact ND1-OD2 3.78Å; H1501-D1503 PolarHBondContact ND1-OD2 3.18Å
1504	L	32.4	Very low	32.7	Very low	126.8 Å²	126.8	124.1 Å²	124.1	66%	0.664	69%	0.692	S	S	*	*			trans	120.1	148.6	164.5	-102	76.2	0	0	0	114.2	I1502	I1502-L1504 HydrophobicContact CG2-CD1 4.41Å
1505	L	33.4	Very low	32.7	Very low	148 Å²	148	125.3 Å²	125.3	78%	0.775	70%	0.696	S	S	*	*				111.3	143.2	116	-70.1	172.8	0	0	0	115.2
1506	S	30.9	Very low	32.8	Very low	104 Å²	104	125.5 Å²	125.5	73%	0.727	69%	0.692	S	S	*	*			cis	111.7	147.3	40.1	-93.9	0	0	0	0	114.5
1507	A	32.1	Very low	32.7	Very low	81.6 Å²	81.6	125.2 Å²	125.2	67%	0.674	70%	0.697	S	S	*	*				112.6	153.4	74.6	0	0	0	0	0	115.5
1508	Q	31.7	Very low	32.4	Very low	183.6 Å²	183.6	124 Å²	124	86%	0.858	70%	0.702	S	S	*	*			trans	87.1	133.8	162.4	-73.1	170.1	21.4	0	0	116.7
1509	S	33.1	Very low	32.2	Very low	99.4 Å²	99.4	122.5 Å²	122.5	70%	0.695	70%	0.699	S	S	*	*				65.5	139.5	64.6	154.6	0	0	0	0	115
1510	P	36.1	Very low	32	Very low	108.8 Å²	108.8	124.4 Å²	124.4	71%	0.706	70%	0.698	S	S	*	*			cis	-122.5	-175.8	47.9	33.7	-17.4	0	0	0	112.2
1511	Q	30.3	Very low	31.3	Very low	152.4 Å²	152.4	125.1 Å²	125.1	71%	0.712	70%	0.7	S	S	*	*				106.1	157.3	76.1	-130.7	-178.5	-59.8	0	0	111.7
1512	E	31.2	Very low	31.2	Very low	128 Å²	128	122.1 Å²	122.1	60%	0.598	70%	0.698	S	S	*	*				-164.4	162.3	73.4	-68.5	-127.2	88.3	0	0	113.5
1513	Q	30.9	Very low	31.1	Very low	145.6 Å²	145.6	123.5 Å²	123.5	68%	0.68	71%	0.706	S	S	*	*			trans	42.3	137.4	135.3	-76.6	172.6	52.4	0	0	117.6	T1515	Q1513-T1515 PolarHBondContact O-N 2.89Å
1514	S	30.6	Very low	31.1	Very low	83.4 Å²	83.4	124.2 Å²	124.2	58%	0.583	71%	0.714	S	S	*	*				85.3	123.4	55.6	-70.5	0	0	0	0	114.4	M1646 E1647	S1514-M1646 WeakPolarHBondContact OG-CG 3.41Å; S1514-E1647 WeakPolarHBondContact CB-OE2 3.2Å; S1514-E1647 PolarHBondContact OG-OE2 3.12Å
1515	T	31.5	Very low	30.9	Very low	121 Å²	121	121.1 Å²	121.1	74%	0.742	71%	0.713	S	S	*	*				165.9	131.3	128.7	32.2	0	0	0	0	114.3	Q1513	Q1513-T1515 PolarHBondContact O-N 2.89Å
1516	E	30.8	Very low	31	Very low	142 Å²	142	122.4 Å²	122.4	66%	0.664	72%	0.715	S	S	*	*			cis	84.6	132.5	38.4	-84.9	-162.6	169.2	0	0	115.4	R1645 M1646	E1516-R1645 VanDerWaalsContact CD-NH2 3.34Å; E1516-R1645 IonicContact OE1-CZ 3.51Å; E1516-R1645 IonicContact OE1-NE 2.82Å; E1516-R1645 PolarHBondContact OE1-NE 3.49Å; E1516-R1645 IonicContact OE1-NH2 2.72Å; E1516-R1645 PolarHBondContact OE1-NH2 3.05Å; E1516-R1645 IonicContact OE2-NH2 3.44Å; E1516-M1646 HydrophobicContact CG-CE 3.54Å; E1516-M1646 HydrophobicContact CG-SD 4.32Å
1517	L	31	Very low	30.9	Very low	146.6 Å²	146.6	124.3 Å²	124.3	77%	0.768	72%	0.717	S	S	*	*			trans	104.1	121	150.1	-73.4	158.3	0	0	0	114.3
1518	S	26.6	Very low	30.9	Very low	95.4 Å²	95.4	124.3 Å²	124.3	67%	0.667	72%	0.717	S	S	*	*				91.3	156.8	50.9	-71.1	0	0	0	0	115.2
1519	V	30	Very low	30.8	Very low	122.2 Å²	122.2	122.6 Å²	122.6	74%	0.741	71%	0.714	S	S	*	*			trans	95.2	120.3	160.5	-164	0	0	0	0	115.1
1520	T	28.4	Very low	30.8	Very low	102.8 Å²	102.8	123.3 Å²	123.3	63%	0.631	72%	0.719	S	S	*	*				-100.5	148.6	125.2	43.3	0	0	0	0	115.3
1521	T	29.9	Very low	30.6	Very low	127 Å²	127	122.3 Å²	122.3	78%	0.779	72%	0.72	S	S	*	*				107.2	147.5	126.4	37.1	0	0	0	0	116	L1523	T1521-L1523 HydrophobicContact CG2-CD1 4.2Å
1522	S	29.2	Very low	30.6	Very low	101.2 Å²	101.2	120.7 Å²	120.7	71%	0.708	72%	0.72	S	S	*	*			cis	-154.5	148.4	48.9	-167.1	0	0	0	0	112.4
1523	L	30.8	Very low	30.7	Very low	156.4 Å²	156.4	123.2 Å²	123.2	82%	0.819	73%	0.732	S	S	*	*			trans	89.6	142.3	152.1	-90.9	106.2	0	0	0	114.9	T1521	T1521-L1523 HydrophobicContact CG2-CD1 4.2Å
1524	V	31.5	Very low	30.7	Very low	132.2 Å²	132.2	120.7 Å²	120.7	80%	0.801	74%	0.737	S	S	*	*				153.1	143.3	105.6	175.4	0	0	0	0	112
1525	G	30.1	Very low	30.8	Very low	62.4 Å²	62.4	122.9 Å²	122.9	64%	0.643	75%	0.747	S	S	*	*			cis	131	137.2	-1	0	0	0	0	0	113.1
1526	Q	34.6	Very low	30.9	Very low	175.4 Å²	175.4	123 Å²	123	82%	0.82	75%	0.747	S	S	*	*			trans	83.7	131	165.4	-68	174.8	32.1	0	0	115.7
1527	N	28.3	Very low	31.3	Very low	142 Å²	142	122 Å²	122	76%	0.759	75%	0.753	S	S	*	*			cis	-174.8	148.7	9.7	-150.4	5.9	0	0	0	112.5
1528	A	33.4	Very low	31.5	Very low	82.4 Å²	82.4	119.7 Å²	119.7	68%	0.681	76%	0.755	S	S	*	*			trans	149.7	126.9	139.4	0	0	0	0	0	116.1
1529	N	29.6	Very low	31.8	Very low	148.4 Å²	148.4	118.5 Å²	118.5	79%	0.794	76%	0.757	S	S	*	*			trans	36.1	127.6	135.6	-60.1	-20.1	0	0	0	117.5
1530	S	31.9	Very low	32.1	Very low	113.4 Å²	113.4	120.5 Å²	120.5	79%	0.793	76%	0.763	S	S	*	*			trans	-179.1	139.4	133.8	-78.4	0	0	0	0	112.5
1531	A	31.6	Very low	32.7	Very low	88.2 Å²	88.2	122 Å²	122	73%	0.729	77%	0.768	S	S	*	*			trans	-32.5	150.5	130.4	0	0	0	0	0	114.6
1532	T	31.8	Very low	33.1	Very low	119 Å²	119	125.2 Å²	125.2	73%	0.73	77%	0.774	S	S	*	*			cis	-142.2	147.4	43	28.8	0	0	0	0	114.7
1533	Q	31.8	Very low	33.6	Very low	180.2 Å²	180.2	124.6 Å²	124.6	84%	0.842	78%	0.775	S	S	*	*			trans	40.3	120.1	132.2	-73	163.8	65.8	0	0	114.4
1534	A	30.6	Very low	34.1	Very low	93.8 Å²	93.8	120.9 Å²	120.9	78%	0.775	77%	0.767	S	S	*	*				118.1	129.1	84.1	0	0	0	0	0	113.1
1535	T	32.8	Very low	34.6	Very low	129.6 Å²	129.6	122.1 Å²	122.1	80%	0.795	77%	0.768	S	S	*	*			trans	-168.8	131.1	149.3	-73.2	0	0	0	0	109.8
1536	T	34.3	Very low	35.2	Very low	123.2 Å²	123.2	126.6 Å²	126.6	76%	0.756	78%	0.777	S	S	*	*			trans	-101.6	150.6	165.1	46.6	0	0	0	0	111.4	A1538	T1536-A1538 PolarHBondContact O-N 3.02Å
1537	P	38.7	Very low	35.4	Very low	120.2 Å²	120.2	125.4 Å²	125.4	78%	0.781	77%	0.773	S	S	*	*				-121.4	148.3	114.5	28.2	-14.5	0	0	0	111.8
1538	A	35.2	Very low	36.2	Very low	98 Å²	98	127.6 Å²	127.6	81%	0.81	78%	0.776	S	S	*	*				50.9	120.7	79.1	0	0	0	0	0	112.8	T1536	T1536-A1538 PolarHBondContact O-N 3.02Å
1539	G	32.6	Very low	36.7	Very low	69.8 Å²	69.8	132 Å²	132	72%	0.72	79%	0.785	S	S	*	*			trans	112.7	143	164.8	0	0	0	0	0	114.3
1540	L	37.9	Very low	37	Very low	164.4 Å²	164.4	131.8 Å²	131.8	86%	0.861	78%	0.784	S	S	*	*				-176.1	137.1	101.7	-80.6	173.4	0	0	0	112.3	A1543	L1540-A1543 HydrophobicContact CD2-CB 3.85Å
1541	N	39.6	Very low	37.4	Very low	135.8 Å²	135.8	133.6 Å²	133.6	73%	0.726	79%	0.785	S	S	*	*			trans	-151.3	95.9	146.5	70.6	-58.6	0	0	0	115.1	A1543	N1541-A1543 VanDerWaalsContact C-N 3.33Å; N1541-A1543 PolarHBondContact O-N 2.83Å
1542	E	39.4	Very low	37.8	Very low	193 Å²	193	139.9 Å²	139.9	90%	0.902	79%	0.791	S	S	*	*			trans	-98	106.6	162	-70.2	163	135.5	0	0	110.2
1543	A	39.8	Very low	38.2	Very low	89 Å²	89	141.9 Å²	141.9	74%	0.736	80%	0.797	S	S	*	*			trans	177.3	63.2	150.8	0	0	0	0	0	114.5	L1540 N1541	L1540-A1543 HydrophobicContact CD2-CB 3.85Å; N1541-A1543 VanDerWaalsContact C-N 3.33Å; N1541-A1543 PolarHBondContact O-N 2.83Å
1544	A	40.2	Very low	38.6	Very low	78.2 Å²	78.2	142.9 Å²	142.9	65%	0.646	80%	0.798	S	S	*	*			trans	-144	-54.2	168	0	0	0	0	0	116.6	L1546	A1544-L1546 VanDerWaalsContact C-N 3.26Å; A1544-L1546 PolarHBondContact O-N 3.37Å
1545	D	43.2	Very low	38.8	Very low	157 Å²	157	141.7 Å²	141.7	84%	0.84	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	42.6	173.9	-69.3	-18.3	0	0	0	118.2
1546	L	42.4	Very low	38.9	Very low	158.4 Å²	158.4	145.9 Å²	145.9	83%	0.829	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.2	63.5	163.3	-71.6	175	0	0	0	114.6	A1544	A1544-L1546 VanDerWaalsContact C-N 3.26Å; A1544-L1546 PolarHBondContact O-N 3.37Å
1547	M	38.3	Very low	39	Very low	149.2 Å²	149.2	143.4 Å²	143.4	74%	0.735	80%	0.801	S	S	*	*			trans	-146.4	113.2	163.9	-68.5	-102.8	-70.1	0	0	114.8
1548	F	44.4	Very low	38.9	Very low	187.8 Å²	187.8	145 Å²	145	82%	0.824	80%	0.803	S	S	*	*			trans	100.1	93.4	173.7	-65.8	-72.9	0	0	0	116.3
1549	M	43.6	Very low	38.9	Very low	175 Å²	175	148.3 Å²	148.3	86%	0.862	81%	0.806	S	S	*	*			trans	-158.2	44.9	156.6	-113.7	-168.2	69	0	0	113.4	D1551	M1549-D1551 PolarHBondContact O-N 2.77Å
1550	D	36.9	Very low	39	Very low	145.4 Å²	145.4	149.5 Å²	149.5	78%	0.778	81%	0.809	S	S	*	*			trans	-112.2	114.8	152.3	-68.8	-59.3	0	0	0	110.8
1551	D	39.6	Very low	38.8	Very low	150.4 Å²	150.4	146.8 Å²	146.8	80%	0.804	80%	0.804	S	S	*	*			trans	137.3	97.4	158.8	-85.5	-23.8	0	0	0	113.9	M1549	M1549-D1551 PolarHBondContact O-N 2.77Å
1552	Y	39.9	Very low	38.6	Very low	221.4 Å²	221.4	146 Å²	146	87%	0.868	81%	0.805	S	S	*	*			trans	-173.5	92.9	149.8	-86.5	-68.2	0	0	0	114	F1554	Y1552-F1554 AromaticContact CD1-CD2 4Å; Y1552-F1554 HydrophobicContact CD1-CD2 4Å; Y1552-F1554 HydrophobicContact CD1-CE2 4.1Å; Y1552-F1554 PolarHBondContact O-N 3.37Å; Y1552-F1554 VanDerWaalsContact O-N 3.08Å
1553	L	40.8	Very low	38.6	Very low	160.6 Å²	160.6	144 Å²	144	84%	0.841	80%	0.8	S	S	*	*			trans	-139.8	93.5	163	-131.4	126.8	0	0	0	112.7
1554	F	39.9	Very low	38.5	Very low	200.2 Å²	200.2	147.4 Å²	147.4	88%	0.878	80%	0.801	S	S	*	*			trans	172.6	129	168.6	-78.4	-77.5	0	0	0	112.6	Y1552 F1556	Y1552-F1554 AromaticContact CD1-CD2 4Å; Y1552-F1554 HydrophobicContact CD1-CD2 4Å; Y1552-F1554 HydrophobicContact CD1-CE2 4.1Å; Y1552-F1554 PolarHBondContact O-N 3.37Å; Y1552-F1554 VanDerWaalsContact O-N 3.08Å; F1554-F1556 PolarHBondContact O-N 3.37Å
1555	G	35	Very low	38.5	Very low	69.2 Å²	69.2	149.6 Å²	149.6	71%	0.713	81%	0.807	S	S	*	*			trans	171.8	111.1	162.6	0	0	0	0	0	111.8	G1557	G1555-G1557 PolarHBondContact O-N 2.94Å
1556	F	36.1	Very low	38.2	Very low	218.4 Å²	218.4	148.3 Å²	148.3	96%	0.958	80%	0.8	S	S	*	*			trans	-123.3	131	167.5	-84.4	-83.9	0	0	0	110.8	F1554	F1554-F1556 PolarHBondContact O-N 3.37Å
1557	G	35.4	Very low	38.2	Very low	69.8 Å²	69.8	147.9 Å²	147.9	72%	0.72	80%	0.798	S	S	*	*			trans	171	113.9	171	0	0	0	0	0	112.2	G1555	G1555-G1557 PolarHBondContact O-N 2.94Å
1558	D	36.6	Very low	38.1	Very low	153.4 Å²	153.4	147 Å²	147	82%	0.82	80%	0.796	S	S	*	*			trans	91.4	122.9	147.2	-92.5	-22.2	0	0	0	116.7
1559	L	35.3	Very low	37.6	Very low	167.2 Å²	167.2	144.6 Å²	144.6	88%	0.875	79%	0.792	S	S	*	*				106.3	114.5	128.4	-66.4	-174.5	0	0	0	115.1
1560	A	34	Very low	37.2	Very low	94.8 Å²	94.8	143.4 Å²	143.4	78%	0.783	79%	0.787	S	S	*	*			trans	169	139.5	154.6	0	0	0	0	0	114.9
1561	S	34.6	Very low	37	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	79%	0.787	S	S	*	*			trans	99.7	108.2	147.1	94.2	0	0	0	0	113.7
1562	T	35.9	Very low	36.9	Very low	119.8 Å²	119.8	140.7 Å²	140.7	74%	0.735	78%	0.784	S	S	*	*				152.7	144.8	92.4	47.6	0	0	0	0	110.4
1563	D	38.8	Very low	36.6	Very low	150.2 Å²	150.2	138.5 Å²	138.5	80%	0.803	78%	0.781	S	S	*	*				-176.6	153.4	99.7	-92.5	-16.6	0	0	0	111.2
1564	E	38	Very low	36.1	Very low	161 Å²	161	138.9 Å²	138.9	75%	0.752	78%	0.779	S	S	*	*			trans	-119.9	154.9	-176.8	-76.9	-105.5	107.8	0	0	111.8
1565	T	40.7	Very low	35.8	Very low	125.4 Å²	125.4	135.4 Å²	135.4	77%	0.769	77%	0.773	S	S	*	*			trans	150.6	141.5	148.5	11.2	0	0	0	0	113.7
1566	D	36.5	Very low	35.6	Very low	129 Å²	129	137.4 Å²	137.4	69%	0.69	78%	0.776	S	S	*	*				-107	160.1	53.6	-127.2	-19.3	0	0	0	112.3
1567	L	42.3	Very low	35.4	Very low	150.2 Å²	150.2	130.9 Å²	130.9	79%	0.786	76%	0.763	S	S	*	*				162.7	137.3	129.7	-80.7	109.1	0	0	0	114.3
1568	N	36.6	Very low	35.3	Very low	129 Å²	129	134.8 Å²	134.8	69%	0.69	77%	0.767	S	S	*	*				-153.9	155.3	125.5	-77.7	-37.2	0	0	0	114.1
1569	D	33.5	Very low	35.3	Very low	138.6 Å²	138.6	134.9 Å²	134.9	74%	0.741	76%	0.763	S	S	*	*				121.3	144.8	106	-118.6	-21.5	0	0	0	116.8
1570	I	34.4	Very low	35.2	Very low	148.8 Å²	148.8	132.6 Å²	132.6	76%	0.763	76%	0.756	S	S	*	*			trans	96.1	98.2	146.3	-58	166.1	0	0	0	115.2
1571	T	33.9	Very low	35.2	Very low	125.6 Å²	125.6	133.3 Å²	133.3	77%	0.771	75%	0.75	S	S	*	*			trans	50.2	150.1	134.6	1.7	0	0	0	0	118.7
1572	P	36.2	Very low	35.2	Very low	114.6 Å²	114.6	134.2 Å²	134.2	74%	0.744	75%	0.747	S	S	*	*			trans	-114.8	-179.6	-156.3	41.6	-32.9	0	0	0	115.7
1573	Q	34.3	Very low	35	Very low	174.8 Å²	174.8	135.4 Å²	135.4	82%	0.817	74%	0.744	S	S	*	*			trans	-155.3	132.5	160.9	-83.2	-178.6	-2.3	0	0	111.5
1574	Q	29.9	Very low	34.8	Very low	169.8 Å²	169.8	133.7 Å²	133.7	79%	0.793	73%	0.734	S	S	*	*				53.8	150	98.6	-95.7	178.4	-57	0	0	114
1575	V	33.1	Very low	34.5	Very low	125.2 Å²	125.2	133.3 Å²	133.3	76%	0.759	73%	0.732	S	S	*	*				156.2	135.9	112.2	-165.5	0	0	0	0	113.9
1576	S	30.9	Very low	34.2	Very low	111.6 Å²	111.6	131.1 Å²	131.1	78%	0.78	73%	0.726	S	S	*	*			trans	30.4	167.3	139.5	-24.1	0	0	0	0	119.2
1577	A	32.4	Very low	34.4	Very low	82.8 Å²	82.8	130.5 Å²	130.5	68%	0.684	73%	0.729	S	S	*	*			trans	-166.9	164.8	170.8	0	0	0	0	0	112
1578	D	34.1	Very low	34.1	Very low	150 Å²	150	128.4 Å²	128.4	80%	0.802	73%	0.727	S	S	*	*			trans	115.1	153	141.6	-71.9	-27.9	0	0	0	116.7
1579	H	35.3	Very low	34.2	Very low	156.2 Å²	156.2	127.5 Å²	127.5	72%	0.723	73%	0.729	S	S	*	*			cis	144.7	156.3	-42	-131.6	-24	0	0	0	113.3
1580	V	34.2	Very low	34	Very low	120.2 Å²	120.2	128.4 Å²	128.4	73%	0.728	73%	0.733	S	S	*	*			trans	82.4	120.6	159.9	178.3	0	0	0	0	113.6
1581	T	33.3	Very low	33.8	Very low	108.8 Å²	108.8	125.9 Å²	125.9	67%	0.667	73%	0.729	S	S	*	*				99.9	128.8	55	-60.9	0	0	0	0	114.2
1582	D	34.6	Very low	33.6	Very low	127 Å²	127	126 Å²	126	68%	0.679	73%	0.729	S	S	*	*				-149.5	155.6	113.7	-114.4	-12.8	0	0	0	113.9
1583	Q	33	Very low	33.4	Very low	143.6 Å²	143.6	123.8 Å²	123.8	67%	0.671	73%	0.726	S	S	*	*				105.3	133.8	117	-85	-173.5	105.1	0	0	116.8	Y1693	Q1583-Y1693 HydrophobicContact CG-CE1 4.38Å; Q1583-Y1693 WeakPolarHBondContact CG-OH 3.37Å; Q1583-Y1693 PolarHBondContact N-OH 2.96Å
1584	L	32.9	Very low	33.3	Very low	116.2 Å²	116.2	123.6 Å²	123.6	61%	0.608	73%	0.725	S	S	*	*				102.3	144	109.1	-76.3	175.5	0	0	0	115.5	K1690 Y1693	L1584-K1690 HydrophobicContact CB-CD 4.37Å; L1584-K1690 PolarHBondContact O-NZ 3.5Å; L1584-Y1693 HydrophobicContact CD2-CD1 4.12Å; L1584-Y1693 HydrophobicContact CD2-CD2 3.11Å; L1584-Y1693 HydrophobicContact CD2-CE1 4.32Å; L1584-Y1693 HydrophobicContact CD2-CE2 3.4Å; L1584-Y1693 HydrophobicContact CD2-CG 3.54Å; L1584-Y1693 HydrophobicContact CG-CD2 4.18Å; L1584-Y1693 HydrophobicContact CG-CE2 3.99Å
1585	Q	32.8	Very low	33.3	Very low	152.6 Å²	152.6	119.7 Å²	119.7	71%	0.713	72%	0.717	S	S	*	*				-176.4	148.7	62.1	-156.3	128	14.4	0	0	112.6	Q1689 K1690 S1691	Q1585-Q1689 CarbonylContact O-C 2.93Å; Q1585-Q1689 WeakPolarHBondContact O-CA 3.2Å; Q1585-K1690 VanDerWaalsContact C-C 3.45Å; Q1585-K1690 HydrophobicContact CB-CB 4.24Å; Q1585-K1690 HydrophobicContact CB-CD 3.75Å; Q1585-K1690 HydrophobicContact CG-CB 3.52Å; Q1585-K1690 HydrophobicContact CG-CD 3.68Å; Q1585-K1690 HydrophobicContact CG-CG 4.11Å; Q1585-K1690 WeakPolarHBondContact O-CA 3.18Å; Q1585-K1690 PolarHBondContact O-N 3.48Å; Q1585-S1691 VanDerWaalsContact CA-C 3.42Å; Q1585-S1691 WeakPolarHBondContact CB-O 3.5Å; Q1585-S1691 WeakPolarHBondContact CG-O 3.44Å; Q1585-S1691 PolarHBondContact NE2-O 3.31Å
1586	A	34.5	Very low	33.4	Very low	77.8 Å²	77.8	122.5 Å²	122.5	64%	0.643	72%	0.719	S	S	*	*			trans	-114.1	0	171.1	0	0	0	0	0	113	K1690 S1691	A1586-K1690 VanDerWaalsContact C-C 3.47Å; A1586-K1690 VanDerWaalsContact N-N 3.12Å; A1586-S1691 VanDerWaalsContact CA-N 3.29Å; A1586-S1691 WeakPolarHBondContact O-CB 3.48Å
1587	P	41.1	Very low	33.4	Very low	116.2 Å²	116.2	123.1 Å²	123.1	76%	0.755	71%	0.713	S	S	*	*				0	-175.7	0	40	-19.8	0	0	0	115.6	K1690	P1587-K1690 WeakPolarHBondContact CD-O 3.11Å; P1587-K1690 VanDerWaalsContact N-O 3.15Å
1588	S	34.8	Very low	33.3	Very low	106.4 Å²	106.4	126.5 Å²	126.5	74%	0.744	72%	0.715	S	S	*	*			trans	129.7	159.9	152.3	-43	0	0	0	0	115
1589	P	38.7	Very low	33.2	Very low	110.6 Å²	110.6	125.5 Å²	125.5	72%	0.718	71%	0.709	S	S	*	*			trans	-138.4	179.7	169.2	35.2	-14.2	0	0	0	116.8
1590	L	30.3	Very low	33	Very low	158.4 Å²	158.4	126.5 Å²	126.5	83%	0.829	71%	0.711	S	S	*	*			trans	89.7	144.1	148.4	-58.3	175.9	0	0	0	117.9
1591	S	30	Very low	33	Very low	96.4 Å²	96.4	128.7 Å²	128.7	67%	0.674	71%	0.713	S	S	*	*			cis	158.7	136.6	41.6	-103.3	0	0	0	0	118.6
1592	V	30.1	Very low	33.2	Very low	127.6 Å²	127.6	129 Å²	129	77%	0.773	72%	0.717	S	S	*	*			trans	58.9	124.4	137.9	180	0	0	0	0	120.4
1593	G	32	Very low	32.9	Very low	67 Å²	67	128.7 Å²	128.7	69%	0.691	72%	0.72	S	S	*	*				162.8	135.3	110.8	0	0	0	0	0	115.7
1594	H	31.5	Very low	32.8	Very low	171 Å²	171	127 Å²	127	79%	0.792	72%	0.724	S	S	*	*			trans	33.8	143.5	171.5	-63.5	-78.4	0	0	0	116.5
1595	S	30.7	Very low	32.7	Very low	88.8 Å²	88.8	126 Å²	126	62%	0.621	73%	0.727	S	S	*	*				168.5	133.9	54.7	-86.1	0	0	0	0	114.5
1596	K	33.9	Very low	32.6	Very low	182.6 Å²	182.6	126.4 Å²	126.4	79%	0.794	73%	0.729	S	S	*	*			trans	74.2	140.5	140.7	-68.7	161.2	-170.6	168.1	0	116.5
1597	N	30.9	Very low	32.6	Very low	125.6 Å²	125.6	127.4 Å²	127.4	67%	0.672	73%	0.731	S	S	*	*			cis	-172.9	140	47.4	-99.5	-13.6	0	0	0	113.6
1598	Q	31.5	Very low	32.5	Very low	154 Å²	154	127.1 Å²	127.1	72%	0.72	73%	0.729	S	S	*	*				69.2	145.7	122.3	-77.6	-175	97.1	0	0	118.5
1599	L	30.7	Very low	32.3	Very low	128.2 Å²	128.2	126.8 Å²	126.8	67%	0.671	73%	0.727	S	S	*	*				146.5	135.4	84.9	-137.1	57.1	0	0	0	115.4
1600	K	32.6	Very low	32	Very low	178.2 Å²	178.2	129.7 Å²	129.7	78%	0.775	73%	0.73	S	S	*	*				68.5	138.2	122.3	-86.7	171.6	-175.2	-179.4	0	117.3
1601	Q	32.7	Very low	31.9	Very low	165 Å²	165	128.1 Å²	128.1	77%	0.771	73%	0.727	S	S	*	*				111.3	161.7	108.8	-77.6	-132.5	-16.3	0	0	111.8	V1603	Q1601-V1603 VanDerWaalsContact OE1-CG2 3.27Å
1602	P	37.4	Very low	31.9	Very low	115 Å²	115	128 Å²	128	75%	0.747	73%	0.726	S	S	*	*			cis	-113.6	169	26.4	31.2	-17	0	0	0	114.5
1603	V	29.1	Very low	31.8	Very low	121.4 Å²	121.4	126.8 Å²	126.8	74%	0.736	72%	0.723	S	S	*	*				-148.5	150.1	108.9	-171.3	0	0	0	0	111.2	Q1601	Q1601-V1603 VanDerWaalsContact OE1-CG2 3.27Å
1604	S	30.3	Very low	31.7	Very low	107.2 Å²	107.2	130.9 Å²	130.9	75%	0.75	73%	0.728	S	S	*	*			trans	76.7	123.9	152	-58.2	0	0	0	0	113.6
1605	S	30.2	Very low	31.6	Very low	96.2 Å²	96.2	131.8 Å²	131.8	67%	0.673	73%	0.726	S	S	*	*				161.5	151.8	58.6	63.7	0	0	0	0	112.2
1606	E	30.8	Very low	31.5	Very low	161.2 Å²	161.2	132.1 Å²	132.1	75%	0.753	73%	0.728	S	S	*	*				159.9	151.5	94.5	-88.4	170.2	111.2	0	0	114.9	S2386 P2387	E1606-S2386 WeakPolarHBondContact OE1-CA 3.34Å; E1606-S2386 WeakPolarHBondContact OE1-CB 3.45Å; E1606-S2386 PolarHBondContact OE1-OG 3.45Å; E1606-S2386 VanDerWaalsContact OE2-CB 3.25Å; E1606-S2386 WeakPolarHBondContact OE2-CB 3.35Å; E1606-S2386 PolarHBondContact OE2-OG 3.08Å; E1606-P2387 WeakPolarHBondContact OE1-CD 3.45Å
1607	S	35.8	Very low	31.3	Very low	99.2 Å²	99.2	130.9 Å²	130.9	69%	0.694	73%	0.725	S	S	*	*			trans	-110.2	165	159.5	51.2	0	0	0	0	111
1608	P	37.7	Very low	31.2	Very low	109.2 Å²	109.2	130.1 Å²	130.1	71%	0.709	72%	0.721	S	S	*	*				-132	-174.8	114.2	40.8	-26.5	0	0	0	114.3
1609	S	31.6	Very low	31.1	Very low	100.2 Å²	100.2	128 Å²	128	70%	0.701	71%	0.714	S	S	*	*			trans	105.7	134.3	130.6	54.7	0	0	0	0	115.5
1610	H	31.8	Very low	31.1	Very low	170.4 Å²	170.4	128.8 Å²	128.8	79%	0.789	72%	0.715	S	S	*	*				-130.2	124.4	88.8	-113.8	-104.2	0	0	0	111.8
1611	V	29.3	Very low	31	Very low	124.8 Å²	124.8	126.1 Å²	126.1	76%	0.756	71%	0.709	S	S	*	*			trans	25.1	133.8	131.3	-175.2	0	0	0	0	114.2
1612	S	29.1	Very low	30.8	Very low	94.4 Å²	94.4	124.5 Å²	124.5	66%	0.66	70%	0.704	S	S	*	*			trans	-156	145.5	163.4	-79.4	0	0	0	0	112.7	I1614	S1612-I1614 PolarHBondContact O-N 3.4Å
1613	S	28.3	Very low	30.4	Very low	103 Å²	103	126.7 Å²	126.7	72%	0.72	70%	0.704	S	S	*	*			trans	133.5	155.8	157.5	-61.9	0	0	0	0	112.5
1614	I	30.4	Very low	30.4	Very low	152.6 Å²	152.6	126.1 Å²	126.1	78%	0.783	71%	0.706	S	S	*	*				-165.6	118	121.1	-77.4	172.3	0	0	0	111.4	S1612	S1612-I1614 PolarHBondContact O-N 3.4Å
1615	Y	28.5	Very low	30.3	Very low	190.4 Å²	190.4	126.3 Å²	126.3	75%	0.747	71%	0.707	S	S	*	*			trans	24.6	136	156	-81.3	-100.1	0	0	0	118.4	D1757 V1758	Y1615-D1757 WeakPolarHBondContact CE2-OD1 3.39Å; Y1615-V1758 HydrophobicContact CE2-CG2 4.44Å
1616	S	28.7	Very low	30.2	Very low	94.4 Å²	94.4	129.8 Å²	129.8	66%	0.66	71%	0.713	S	S	*	*			cis	-177.8	150.7	37.3	-120	0	0	0	0	114.7
1617	Q	30.6	Very low	30.1	Very low	158 Å²	158	132.7 Å²	132.7	74%	0.738	72%	0.717	S	S	*	*			trans	62.1	133.7	159.7	-65	-173.7	8	0	0	116.9	T1755	Q1617-T1755 PolarHBondContact NE2-OG1 2.72Å
1618	N	29.1	Very low	29.7	Very low	109.4 Å²	109.4	136.4 Å²	136.4	59%	0.585	72%	0.721	S	S	*	*				153.9	128.1	56	-145.6	4.8	0	0	0	114.4	N1017 S1018 V1753	N1017-N1618 PolarHBondContact OD1-O 2.92Å; S1018-N1618 WeakPolarHBondContact CB-O 3.39Å; S1018-N1618 PolarHBondContact N-O 3.41Å; S1018-N1618 PolarHBondContact OG-O 3.44Å; N1618-V1753 WeakPolarHBondContact ND2-CG1 3.46Å; N1618-V1753 VanDerWaalsContact OD1-CG2 3.28Å; N1618-V1753 WeakPolarHBondContact OD1-CG2 3.11Å
1619	N	29.6	Very low	29.3	Very low	109.4 Å²	109.4	137 Å²	137	59%	0.585	72%	0.722	S	S	*	*				117	140.3	124.5	-118.6	-16.8	0	0	0	117.5	N1017 S1018 Q1751 V1753	N1017-N1619 PolarHBondContact OD1-N 2.69Å; S1018-N1619 CarbonylContact O-C 3.06Å; S1018-N1619 WeakPolarHBondContact O-CA 3.24Å; S1018-N1619 PolarHBondContact O-OD1 3.13Å; S1018-N1619 VanDerWaalsContact O-OD1 3.04Å; N1619-Q1751 HydrophobicContact CB-CG 3.86Å; N1619-Q1751 VanDerWaalsContact CG-CG 3.43Å; N1619-V1753 VanDerWaalsContact ND2-CG2 3.28Å; N1619-V1753 WeakPolarHBondContact ND2-CG2 3.16Å
1620	Q	30.7	Very low	29.2	Very low	144.4 Å²	144.4	137.9 Å²	137.9	68%	0.675	72%	0.718	S	S	*	*			trans	93.8	122.3	148.1	-68.9	-111.8	19.6	0	0	115.5	N1017 S1018	N1017-Q1620 HydrophobicContact CB-CB 3.95Å; N1017-Q1620 PolarHBondContact ND2-NE2 3.15Å; S1018-Q1620 PolarHBondContact O-N 3.33Å
1621	N	29	Very low	29.2	Very low	121.8 Å²	121.8	134.3 Å²	134.3	65%	0.651	71%	0.712	S	S	*	*				111.7	151.6	62.3	-142.7	-7.9	0	0	0	115
1622	I	29.5	Very low	29.3	Very low	131 Å²	131	134.5 Å²	134.5	67%	0.672	71%	0.709	S	S	*	*				78.1	145.4	116.4	-63.4	171.9	0	0	0	116.2
1623	Q	29.3	Very low	29.5	Very low	161.2 Å²	161.2	138.5 Å²	138.5	75%	0.753	71%	0.714	S	S	*	*			trans	-166.3	130.5	-179.2	-118.9	170.1	2	0	0	112.6
1624	S	27.8	Very low	29.6	Very low	109.2 Å²	109.2	139.6 Å²	139.6	76%	0.764	71%	0.711	S	S	*	*			trans	115.1	132.5	137.1	39.1	0	0	0	0	117.3
1625	S	29.3	Very low	29.6	Very low	112.4 Å²	112.4	138.2 Å²	138.2	79%	0.786	71%	0.709	S	S	*	*			trans	-152.4	121.4	158.7	-77.7	0	0	0	0	113.7
1626	E	28.3	Very low	29.6	Very low	168.2 Å²	168.2	139 Å²	139	79%	0.786	71%	0.712	S	S	*	*			trans	-121.7	144.2	151.5	-75	-173.9	122.6	0	0	115.7	R1009 F1628	R1009-E1626 IonicContact CZ-OE1 3.87Å; R1009-E1626 IonicContact NH2-OE1 2.7Å; R1009-E1626 PolarHBondContact NH2-OE1 2.87Å; E1626-F1628 PolarHBondContact O-N 3.17Å
1627	R	27.7	Very low	29.7	Very low	223.4 Å²	223.4	142.1 Å²	142.1	84%	0.843	72%	0.716	S	S	*	*			trans	-110.5	121.8	155.8	-114.8	-179.1	-137.1	-177.3	-0.4	112.6	V1629	R1627-V1629 VanDerWaalsContact C-N 3.28Å; R1627-V1629 HydrophobicContact CB-CG2 4.33Å; R1627-V1629 VanDerWaalsContact CD-CG2 3.48Å; R1627-V1629 HydrophobicContact CG-CG2 3.7Å; R1627-V1629 PolarHBondContact O-N 2.7Å
1628	F	27.4	Very low	29.7	Very low	176.8 Å²	176.8	139.2 Å²	139.2	78%	0.775	71%	0.713	S	S	*	*			trans	34	107.2	149.9	-85.5	-94.5	0	0	0	114	E1626 I1630	E1626-F1628 PolarHBondContact O-N 3.17Å; F1628-I1630 HydrophobicContact CD1-CD1 3.66Å; F1628-I1630 VanDerWaalsContact CD1-CD1 3.46Å; F1628-I1630 HydrophobicContact CD1-CG1 3.93Å; F1628-I1630 HydrophobicContact CE1-CD1 3.77Å; F1628-I1630 HydrophobicContact CE1-CG1 4.17Å; F1628-I1630 PolarHBondContact O-N 3.17Å
1629	V	29	Very low	29.8	Very low	122.2 Å²	122.2	142 Å²	142	74%	0.741	72%	0.723	S	S	*	*			trans	-120.1	121.8	151.5	164.2	0	0	0	0	107.8	R1627 S1631	R1627-V1629 VanDerWaalsContact C-N 3.28Å; R1627-V1629 HydrophobicContact CB-CG2 4.33Å; R1627-V1629 VanDerWaalsContact CD-CG2 3.48Å; R1627-V1629 HydrophobicContact CG-CG2 3.7Å; R1627-V1629 PolarHBondContact O-N 2.7Å; V1629-S1631 VanDerWaalsContact C-N 3.25Å; V1629-S1631 PolarHBondContact O-N 3.26Å
1630	I	30.6	Very low	29.8	Very low	118.2 Å²	118.2	142.7 Å²	142.7	61%	0.606	73%	0.731	S	S	*	*			trans	-57.9	104.8	155.1	-58.3	175.6	0	0	0	110.3	L1007 F1628 N1632	L1007-I1630 HydrophobicContact CG-CG2 4.34Å; F1628-I1630 HydrophobicContact CD1-CD1 3.66Å; F1628-I1630 VanDerWaalsContact CD1-CD1 3.46Å; F1628-I1630 HydrophobicContact CD1-CG1 3.93Å; F1628-I1630 HydrophobicContact CE1-CD1 3.77Å; F1628-I1630 HydrophobicContact CE1-CG1 4.17Å; F1628-I1630 PolarHBondContact O-N 3.17Å; I1630-N1632 HydrophobicContact CG2-CB 4.12Å
1631	S	30.1	Very low	29.9	Very low	95.4 Å²	95.4	140.7 Å²	140.7	67%	0.667	73%	0.733	S	S	*	*			trans	-121.9	95.9	159.2	-115.3	0	0	0	0	110.6	A1005 V1629 K1633	A1005-S1631 VanDerWaalsContact CB-C 3.49Å; A1005-S1631 WeakPolarHBondContact CB-O 3.39Å; V1629-S1631 VanDerWaalsContact C-N 3.25Å; V1629-S1631 PolarHBondContact O-N 3.26Å; S1631-K1633 PolarHBondContact O-N 3.07Å
1632	N	31.7	Very low	30	Very low	128 Å²	128	141.8 Å²	141.8	68%	0.684	73%	0.734	S	S	*	*			trans	-72	109.5	169.9	-75	-18.4	0	0	0	110.2	V1004 A1005 S1006 I1630 I1634	V1004-N1632 VanDerWaalsContact C-OD1 3.25Å; V1004-N1632 VanDerWaalsContact CB-OD1 3.26Å; V1004-N1632 WeakPolarHBondContact CB-OD1 3.45Å; V1004-N1632 WeakPolarHBondContact CG2-OD1 3.16Å; A1005-N1632 WeakPolarHBondContact CA-OD1 3.47Å; A1005-N1632 HydrophobicContact CB-CB 4.25Å; A1005-N1632 WeakPolarHBondContact CB-OD1 3.44Å; A1005-N1632 PolarHBondContact N-OD1 3.49Å; S1006-N1632 PolarHBondContact O-ND2 3.12Å; I1630-N1632 HydrophobicContact CG2-CB 4.12Å; N1632-I1634 VanDerWaalsContact O-CD1 3.26Å; N1632-I1634 WeakPolarHBondContact O-CD1 3.43Å; N1632-I1634 WeakPolarHBondContact O-CG1 3.39Å; N1632-I1634 PolarHBondContact O-N 2.9Å
1633	K	33	Very low	30.3	Very low	179 Å²	179	140.7 Å²	140.7	78%	0.778	74%	0.736	S	S	*	*			trans	-97.8	118.4	152.6	-81.6	-174.6	175.6	-174.8	0	109	S1631 V1635	S1631-K1633 PolarHBondContact O-N 3.07Å; K1633-V1635 VanDerWaalsContact C-N 3.31Å; K1633-V1635 HydrophobicContact CB-CG2 4.45Å; K1633-V1635 PolarHBondContact O-N 3.22Å; K1633-V1635 VanDerWaalsContact O-N 3.09Å
1634	I	31.2	Very low	30.3	Very low	125.6 Å²	125.6	139.5 Å²	139.5	64%	0.644	73%	0.733	S	S	*	*				25.5	94.9	118.9	-56.1	171.8	0	0	0	110.9	V1004 N1632 Y1636	V1004-I1634 HydrophobicContact CG2-CG1 4.19Å; N1632-I1634 VanDerWaalsContact O-CD1 3.26Å; N1632-I1634 WeakPolarHBondContact O-CD1 3.43Å; N1632-I1634 WeakPolarHBondContact O-CG1 3.39Å; N1632-I1634 PolarHBondContact O-N 2.9Å; I1634-Y1636 HydrophobicContact CG2-CD1 4.36Å; I1634-Y1636 HydrophobicContact CG2-CD2 3.84Å; I1634-Y1636 HydrophobicContact CG2-CE1 4.39Å; I1634-Y1636 HydrophobicContact CG2-CE2 3.61Å; I1634-Y1636 HydrophobicContact CG2-CG 4.16Å
1635	V	30.2	Very low	30.3	Very low	124.2 Å²	124.2	142 Å²	142	75%	0.753	73%	0.726	S	S	*	*			trans	-116.8	127.9	140	177.4	0	0	0	0	107.7	K1633 Q1637	K1633-V1635 VanDerWaalsContact C-N 3.31Å; K1633-V1635 HydrophobicContact CB-CG2 4.45Å; K1633-V1635 PolarHBondContact O-N 3.22Å; K1633-V1635 VanDerWaalsContact O-N 3.09Å; V1635-Q1637 HydrophobicContact CG1-CB 4.37Å; V1635-Q1637 PolarHBondContact O-N 3.28Å
1636	Y	28.9	Very low	30.3	Very low	207.4 Å²	207.4	143.2 Å²	143.2	81%	0.813	72%	0.721	S	S	*	*			trans	-77.2	116.9	170.6	-97.2	-87.6	0	0	0	109.7	I1634 S1638	I1634-Y1636 HydrophobicContact CG2-CD1 4.36Å; I1634-Y1636 HydrophobicContact CG2-CD2 3.84Å; I1634-Y1636 HydrophobicContact CG2-CE1 4.39Å; I1634-Y1636 HydrophobicContact CG2-CE2 3.61Å; I1634-Y1636 HydrophobicContact CG2-CG 4.16Å; Y1636-S1638 PolarHBondContact O-N 3.24Å
1637	Q	30.3	Very low	30.4	Very low	159.2 Å²	159.2	141.3 Å²	141.3	74%	0.744	71%	0.712	S	S	*	*			trans	-110.6	108.9	131.4	-171.1	176.1	54.6	0	0	111.4	V1635 Q1639	V1635-Q1637 HydrophobicContact CG1-CB 4.37Å; V1635-Q1637 PolarHBondContact O-N 3.28Å; Q1637-Q1639 VanDerWaalsContact C-N 3.3Å; Q1637-Q1639 HydrophobicContact CG-CG 4.09Å; Q1637-Q1639 PolarHBondContact O-N 3.05Å
1638	S	30.4	Very low	30.6	Very low	96.4 Å²	96.4	138.1 Å²	138.1	67%	0.674	71%	0.707	S	S	*	*			trans	-34.6	136.9	151.6	-116.9	0	0	0	0	113.7	Y1636 V1640	Y1636-S1638 PolarHBondContact O-N 3.24Å; S1638-V1640 PolarHBondContact O-N 3.06Å
1639	Q	31.4	Very low	30.8	Very low	168.4 Å²	168.4	134.9 Å²	134.9	79%	0.787	70%	0.702	S	S	*	*			trans	-116.9	122.9	158.4	-61.7	-127.1	15.8	0	0	109.7	Q1637 S1641	Q1637-Q1639 VanDerWaalsContact C-N 3.3Å; Q1637-Q1639 HydrophobicContact CG-CG 4.09Å; Q1637-Q1639 PolarHBondContact O-N 3.05Å; Q1639-S1641 PolarHBondContact O-N 2.98Å; Q1639-S1641 VanDerWaalsContact O-N 3.1Å
1640	V	30.5	Very low	30.8	Very low	123.4 Å²	123.4	133.8 Å²	133.8	75%	0.748	70%	0.695	S	S	*	*			trans	-53.1	111.7	154.3	-175.4	0	0	0	0	110.2	S1638	S1638-V1640 PolarHBondContact O-N 3.06Å
1641	S	32.1	Very low	30.7	Very low	103 Å²	103	135 Å²	135	72%	0.72	70%	0.704	S	S	*	*			trans	-140.1	130.2	144.5	-55.5	0	0	0	0	110.3	Q1639 N1844	Q1639-S1641 PolarHBondContact O-N 2.98Å; Q1639-S1641 VanDerWaalsContact O-N 3.1Å; S1641-N1844 PolarHBondContact O-ND2 2.89Å
1642	E	31.7	Very low	30.7	Very low	145.8 Å²	145.8	134.8 Å²	134.8	68%	0.681	70%	0.702	S	S	*	*			trans	-12	142.9	155	-65	-135.6	134.5	0	0	116.7	L1644 S1843	E1642-L1644 HydrophobicContact CB-CG 4.39Å; E1642-L1644 PolarHBondContact O-N 3.24Å; E1642-L1644 VanDerWaalsContact O-N 3.15Å; E1642-L1644 WeakPolarHBondContact OE2-CD1 3.31Å; E1642-L1644 VanDerWaalsContact OE2-CG 3.29Å; E1642-L1644 WeakPolarHBondContact OE2-CG 3.46Å; E1642-L1644 PolarHBondContact OE2-N 3.23Å; E1642-S1843 PolarHBondContact O-OG 3.3Å; E1642-S1843 VanDerWaalsContact O-OG 3.1Å
1643	P	34.3	Very low	30.6	Very low	107.8 Å²	107.8	138 Å²	138	70%	0.7	71%	0.712	S	S	*	*				-104.8	115.9	117.6	36.3	-28.1	0	0	0	113.2	R1645 N1844 E1845	P1643-R1645 PolarHBondContact O-N 3.18Å; P1643-N1844 WeakPolarHBondContact CD-O 3.41Å; P1643-E1845 WeakPolarHBondContact CD-OE1 3.39Å; P1643-E1845 HydrophobicContact CG-CG 4.36Å; P1643-E1845 WeakPolarHBondContact O-CG 3.38Å
1644	L	29.2	Very low	30.5	Very low	135.2 Å²	135.2	132.8 Å²	132.8	71%	0.708	71%	0.71	S	S	*	*			trans	-39.2	123.1	165.4	-100.3	141	0	0	0	115.7	E1642 M1646	E1642-L1644 HydrophobicContact CB-CG 4.39Å; E1642-L1644 PolarHBondContact O-N 3.24Å; E1642-L1644 VanDerWaalsContact O-N 3.15Å; E1642-L1644 WeakPolarHBondContact OE2-CD1 3.31Å; E1642-L1644 VanDerWaalsContact OE2-CG 3.29Å; E1642-L1644 WeakPolarHBondContact OE2-CG 3.46Å; E1642-L1644 PolarHBondContact OE2-N 3.23Å; L1644-M1646 HydrophobicContact CD2-CE 4.27Å; L1644-M1646 PolarHBondContact O-N 3.39Å
1645	R	29.2	Very low	30.7	Very low	161.4 Å²	161.4	135.2 Å²	135.2	61%	0.609	72%	0.72	S	S	*	*			trans	-172	118	143.8	-97.9	-176.3	138.6	91.1	1.9	114.9	E1516 P1643 E1647 C1795	E1516-R1645 VanDerWaalsContact CD-NH2 3.34Å; E1516-R1645 IonicContact OE1-CZ 3.51Å; E1516-R1645 IonicContact OE1-NE 2.82Å; E1516-R1645 PolarHBondContact OE1-NE 3.49Å; E1516-R1645 IonicContact OE1-NH2 2.72Å; E1516-R1645 PolarHBondContact OE1-NH2 3.05Å; E1516-R1645 IonicContact OE2-NH2 3.44Å; P1643-R1645 PolarHBondContact O-N 3.18Å; R1645-E1647 HydrophobicContact CG-CG 4.05Å; R1645-E1647 IonicContact CZ-OE1 3.91Å; R1645-E1647 IonicContact NE-OE1 3.08Å; R1645-E1647 PolarHBondContact NE-OE1 2.72Å; R1645-E1647 IonicContact NH2-OE1 3.31Å; R1645-E1647 PolarHBondContact NH2-OE1 2.71Å; R1645-C1795 PolarHBondContact NH2-SG 3.27Å
1646	M	29.6	Very low	30.7	Very low	139 Å²	139	133.7 Å²	133.7	69%	0.685	71%	0.714	S	S	*	*				87.3	122.3	117.5	-113	164.2	-108.4	0	0	112.8	S1514 E1516 L1644	S1514-M1646 WeakPolarHBondContact OG-CG 3.41Å; E1516-M1646 HydrophobicContact CG-CE 3.54Å; E1516-M1646 HydrophobicContact CG-SD 4.32Å; L1644-M1646 HydrophobicContact CD2-CE 4.27Å; L1644-M1646 PolarHBondContact O-N 3.39Å
1647	E	30.1	Very low	30.9	Very low	126.8 Å²	126.8	130.2 Å²	130.2	59%	0.593	71%	0.709	S	S	*	*				84.7	123.9	107.4	-82.3	176.9	139.1	0	0	112.1	S1514 R1645 R1793	S1514-E1647 WeakPolarHBondContact CB-OE2 3.2Å; S1514-E1647 PolarHBondContact OG-OE2 3.12Å; R1645-E1647 HydrophobicContact CG-CG 4.05Å; R1645-E1647 IonicContact CZ-OE1 3.91Å; R1645-E1647 IonicContact NE-OE1 3.08Å; R1645-E1647 PolarHBondContact NE-OE1 2.72Å; R1645-E1647 IonicContact NH2-OE1 3.31Å; R1645-E1647 PolarHBondContact NH2-OE1 2.71Å; E1647-R1793 IonicContact OE1-CZ 2.94Å; E1647-R1793 IonicContact OE1-NE 2.56Å; E1647-R1793 PolarHBondContact OE1-NE 3.4Å; E1647-R1793 IonicContact OE1-NH2 3.96Å; E1647-R1793 PolarHBondContact OE1-NH2 3.48Å
1648	E	31.9	Very low	31.1	Very low	156.4 Å²	156.4	130.7 Å²	130.7	73%	0.731	71%	0.709	S	S	*	*				167.2	125	91.7	-168	170	171.8	0	0	112
1649	T	30.8	Very low	31.3	Very low	109.2 Å²	109.2	132.7 Å²	132.7	67%	0.67	71%	0.708	S	S	*	*			trans	-178.6	140.5	145.6	34.6	0	0	0	0	113.9
1650	T	29.3	Very low	31.2	Very low	99.4 Å²	99.4	133.1 Å²	133.1	61%	0.61	71%	0.707	S	S	*	*			trans	-70.4	157.5	169.5	54.7	0	0	0	0	115.5
1651	N	28.5	Very low	31.3	Very low	144.8 Å²	144.8	132.7 Å²	132.7	77%	0.774	71%	0.705	S	S	*	*			trans	114.5	149.7	141.1	-75.2	-22.8	0	0	0	114.7
1652	S	29.4	Very low	31.4	Very low	90.2 Å²	90.2	131.4 Å²	131.4	63%	0.631	70%	0.7	S	S	*	*				104.5	141.3	59.9	56.7	0	0	0	0	115
1653	E	30.3	Very low	31.5	Very low	194.4 Å²	194.4	131.4 Å²	131.4	91%	0.908	70%	0.7	S	S	*	*			trans	57.7	124.3	150.3	-59.2	171.9	151.5	0	0	118.4
1654	G	31.1	Very low	31.4	Very low	70 Å²	70	133.2 Å²	133.2	72%	0.722	70%	0.699	S	S	*	*				155	131.3	124.3	0	0	0	0	0	115.6
1655	M	34.7	Very low	31.6	Very low	175.8 Å²	175.8	132.8 Å²	132.8	87%	0.866	70%	0.698	S	S	*	*			trans	77.1	142.9	159.8	-62.5	-122.2	48.7	0	0	115.8
1656	C	30.5	Very low	31.7	Very low	93 Å²	93	132 Å²	132	63%	0.628	71%	0.705	S	S	*	*			cis	153.1	139.8	31.4	-159.6	0	0	0	0	113.1
1657	L	33.4	Very low	31.9	Very low	134.2 Å²	134.2	132.9 Å²	132.9	70%	0.703	71%	0.711	S	S	*	*			trans	69.4	127.3	142.4	-70.5	163.1	0	0	0	119.4
1658	K	34.2	Very low	32	Very low	169.8 Å²	169.8	131.5 Å²	131.5	74%	0.738	72%	0.715	S	S	*	*				110.6	134.5	121.4	-89.6	176.3	-176.1	174.4	0	115.4
1659	Q	34.1	Very low	32	Very low	138.8 Å²	138.8	129.1 Å²	129.1	65%	0.649	72%	0.715	S	S	*	*				160.2	137.7	58.7	-157.6	164.7	-8.3	0	0	113.7	V1661	Q1659-V1661 HydrophobicContact CG-CG2 3.53Å
1660	F	31.2	Very low	32.6	Very low	176.4 Å²	176.4	128 Å²	128	77%	0.774	71%	0.71	S	S	*	*			trans	119.5	136.5	144.3	-90.2	-89.8	0	0	0	113.2
1661	V	32.2	Very low	32.7	Very low	115 Å²	115	131.5 Å²	131.5	70%	0.697	72%	0.717	S	S	*	*				117.9	117.3	67	166.3	0	0	0	0	112.7	Q1659	Q1659-V1661 HydrophobicContact CG-CG2 3.53Å
1662	A	33.4	Very low	32.9	Very low	76.8 Å²	76.8	130.2 Å²	130.2	64%	0.635	71%	0.711	S	S	*	*				164.4	156.6	129.9	0	0	0	0	0	114.1	D1754	A1662-D1754 VanDerWaalsContact CA-OD1 3.25Å; A1662-D1754 WeakPolarHBondContact CA-OD1 3.35Å; A1662-D1754 PolarHBondContact N-OD1 3.47Å
1663	Q	33.7	Very low	33	Very low	145 Å²	145	130.4 Å²	130.4	68%	0.678	71%	0.705	S	S	*	*				172.9	142.6	87.8	-112.9	166.9	-7.1	0	0	112.8	D1754 T1755	Q1663-D1754 WeakPolarHBondContact CA-OD2 3.48Å; Q1663-D1754 HydrophobicContact CB-CB 3.93Å; Q1663-D1754 VanDerWaalsContact CB-CG 3.48Å; Q1663-D1754 WeakPolarHBondContact CB-OD2 3.43Å; Q1663-D1754 HydrophobicContact CG-CB 4.06Å; Q1663-D1754 VanDerWaalsContact CG-OD2 3.23Å; Q1663-D1754 WeakPolarHBondContact CG-OD2 3.5Å; Q1663-D1754 PolarHBondContact N-OD1 3.26Å; Q1663-D1754 VanDerWaalsContact NE2-CB 3.27Å; Q1663-D1754 PolarHBondContact NE2-OD2 3.44Å; Q1663-T1755 PolarHBondContact OE1-OG1 2.99Å
1664	Q	32.6	Very low	33	Very low	144.6 Å²	144.6	128 Å²	128	68%	0.676	69%	0.694	S	S	*	*				89.3	149.3	113	-87	172.3	-79.3	0	0	114.1
1665	D	33.6	Very low	33.1	Very low	126.8 Å²	126.8	129.4 Å²	129.4	68%	0.678	69%	0.692	S	S	*	*			cis	-163.8	156.4	22.6	-99.3	-25.2	0	0	0	115.6
1666	L	32.1	Very low	32.9	Very low	145 Å²	145	129.4 Å²	129.4	76%	0.759	69%	0.69	S	S	*	*			trans	-86.1	141.7	160.8	-75.6	166.7	0	0	0	115.1
1667	I	33.7	Very low	33.2	Very low	158.8 Å²	158.8	129.6 Å²	129.6	81%	0.814	69%	0.69	S	S	*	*			trans	161.9	129.6	141.5	-78.5	161.8	0	0	0	113.2
1668	S	31.1	Very low	33	Very low	98 Å²	98	127.1 Å²	127.1	69%	0.685	69%	0.688	S	S	*	*			trans	-144.2	155.3	179.6	-74.9	0	0	0	0	114.1
1669	S	31.9	Very low	32.9	Very low	104.4 Å²	104.4	126.2 Å²	126.2	73%	0.73	69%	0.687	S	S	*	*			trans	63.6	166.7	138.9	93.8	0	0	0	0	117.6
1670	P	42.9	Very low	32.8	Very low	86.8 Å²	86.8	126.2 Å²	126.2	56%	0.564	69%	0.69	S	S	*	*			cis	-134.8	-150.8	-30.1	32	-10.3	0	0	0	116	K1496 E1497	K1496-P1670 HydrophobicContact CB-CB 4.45Å; K1496-P1670 VanDerWaalsContact CD-C 3.45Å; K1496-P1670 HydrophobicContact CD-CB 4.35Å; K1496-P1670 WeakPolarHBondContact CD-O 3.4Å; K1496-P1670 WeakPolarHBondContact CE-O 3.38Å; K1496-P1670 HydrophobicContact CG-CB 3.94Å; K1496-P1670 PolarHBondContact NZ-O 2.65Å; E1497-P1670 VanDerWaalsContact OE1-CB 3.28Å; E1497-P1670 WeakPolarHBondContact OE1-CB 3.16Å; E1497-P1670 WeakPolarHBondContact OE1-CG 3.16Å
1671	F	32	Very low	32.8	Very low	172.6 Å²	172.6	120.9 Å²	120.9	76%	0.757	69%	0.686	S	S	*	*			trans	68.8	130.1	166.1	-63.8	-61.1	0	0	0	120	K1496 E1497	K1496-F1671 VanDerWaalsContact CD-C 3.43Å; K1496-F1671 WeakPolarHBondContact CD-O 3.41Å; E1497-F1671 PolarHBondContact OE1-N 3.04Å; E1497-F1671 WeakPolarHBondContact OE2-CA 3.39Å; E1497-F1671 PolarHBondContact OE2-N 3.05Å
1672	D	32.8	Very low	32.7	Very low	118.6 Å²	118.6	120.8 Å²	120.8	63%	0.634	69%	0.69	S	S	*	*				148.9	157.2	64.9	-100.5	-22.3	0	0	0	113.6	N1495 K1496 E1497	N1495-D1672 CarbonylContact C-O 3.08Å; K1496-D1672 VanDerWaalsContact CB-N 3.26Å; K1496-D1672 PolarHBondContact N-O 3.47Å; E1497-D1672 PolarHBondContact OE2-N 3.41Å
1673	N	30.6	Very low	32.6	Very low	94 Å²	94	121.4 Å²	121.4	50%	0.503	70%	0.695	S	S	.	*			cis	175.3	152.2	-31.1	-127.8	-58.4	0	0	0	112.6	E1497 L1498	E1497-N1673 WeakPolarHBondContact O-CA 3.4Å; E1497-N1673 PolarHBondContact O-OD1 3.19Å; L1498-N1673 VanDerWaalsContact CA-ND2 3.35Å; L1498-N1673 WeakPolarHBondContact CA-ND2 3.42Å; L1498-N1673 WeakPolarHBondContact CB-ND2 3.46Å; L1498-N1673 WeakPolarHBondContact CB-OD1 3.42Å; L1498-N1673 WeakPolarHBondContact CD2-ND2 3.15Å; L1498-N1673 PolarHBondContact N-ND2 3.41Å; L1498-N1673 VanDerWaalsContact N-ND2 3.16Å; L1498-N1673 PolarHBondContact N-OD1 2.86Å; L1498-N1673 VanDerWaalsContact N-OD1 3.13Å
1674	Q	31.9	Very low	32.5	Very low	144.6 Å²	144.6	120.7 Å²	120.7	68%	0.676	70%	0.701	S	S	*	*			trans	63.2	149.4	142.3	-76.4	171.5	86.1	0	0	118.7	I1393 K1394	I1393-Q1674 PolarHBondContact O-OE1 3.29Å; K1394-Q1674 PolarHBondContact O-OE1 2.94Å
1675	S	31.6	Very low	32.6	Very low	98.6 Å²	98.6	122.9 Å²	122.9	69%	0.69	71%	0.708	S	S	*	*			cis	-170.4	156.7	6.5	25.2	0	0	0	0	113.1	E1392	E1392-S1675 PolarHBondContact O-OG 3.18Å
1676	Q	31	Very low	32.7	Very low	176 Å²	176	122.4 Å²	122.4	82%	0.822	71%	0.712	S	S	*	*			trans	-85.4	-177.8	134.7	-89.7	-164	31.2	0	0	111.8
1677	P	37.1	Very low	32.6	Very low	97.2 Å²	97.2	122.1 Å²	122.1	63%	0.631	71%	0.706	S	S	*	*			cis	-136	-177.6	-19	42.5	-25.7	0	0	0	118.3	P1500 T2372	P1500-P1677 HydrophobicContact CB-CB 3.93Å; P1500-P1677 HydrophobicContact CB-CG 3.49Å; P1500-P1677 VanDerWaalsContact CB-CG 3.49Å; P1500-P1677 HydrophobicContact CG-CG 3.95Å; P1677-T2372 WeakPolarHBondContact O-CG2 3.05Å; P1677-T2372 PolarHBondContact O-OG1 2.93Å
1678	A	29.9	Very low	32.4	Very low	81 Å²	81	123.9 Å²	123.9	67%	0.669	70%	0.704	S	S	*	*			trans	66.6	153.7	146.3	0	0	0	0	0	121.7	T2372	A1678-T2372 WeakPolarHBondContact O-CG2 3.41Å
1679	H	31.5	Very low	32.3	Very low	151.2 Å²	151.2	125.1 Å²	125.1	70%	0.7	70%	0.699	S	S	*	*				155.7	152.1	92.8	-139.9	-100.9	0	0	0	116.6	E1497 L1498	E1497-H1679 VanDerWaalsContact CG-CE1 3.49Å; E1497-H1679 WeakPolarHBondContact CG-CE1 3.39Å; E1497-H1679 IonicContact OE1-CE1 3.36Å; E1497-H1679 PolarHBondContact OE1-CE1 3.08Å; E1497-H1679 IonicContact OE1-ND1 3.02Å; E1497-H1679 PolarHBondContact OE1-ND1 3.18Å; L1498-H1679 WeakPolarHBondContact CD2-NE2 3.47Å; L1498-H1679 WeakPolarHBondContact CG-NE2 3.15Å
1680	L	31.1	Very low	32.2	Very low	138.4 Å²	138.4	127.2 Å²	127.2	73%	0.725	70%	0.695	S	S	*	*			trans	38.8	147.6	169.8	-70.3	120.4	0	0	0	119	E1497	E1497-L1680 VanDerWaalsContact CD-CG 3.43Å; E1497-L1680 HydrophobicContact CG-CD2 4.37Å; E1497-L1680 HydrophobicContact CG-CG 4.02Å; E1497-L1680 WeakPolarHBondContact OE1-CD2 3.49Å; E1497-L1680 VanDerWaalsContact OE1-CG 3.29Å; E1497-L1680 WeakPolarHBondContact OE1-CG 3.33Å; E1497-L1680 WeakPolarHBondContact OE2-CD2 3.15Å
1681	G	32.4	Very low	31.7	Very low	65.8 Å²	65.8	126.3 Å²	126.3	68%	0.678	69%	0.69	S	S	*	*			cis	157.9	120.6	28.6	0	0	0	0	0	114.8
1682	S	30.4	Very low	32	Very low	111.8 Å²	111.8	121.6 Å²	121.6	78%	0.782	68%	0.677	S	S	*	*			trans	-126.7	157.6	175.8	65.5	0	0	0	0	114.4
1683	A	31.3	Very low	31.9	Very low	90 Å²	90	123.4 Å²	123.4	74%	0.744	68%	0.676	S	S	*	*			trans	-162.3	137.6	159	0	0	0	0	0	113.2
1684	T	31.6	Very low	31.9	Very low	129.8 Å²	129.8	126.4 Å²	126.4	80%	0.796	69%	0.691	S	S	*	*				174.8	146.4	129.7	33.7	0	0	0	0	116.2
1685	K	33.8	Very low	31.9	Very low	192 Å²	192	122.4 Å²	122.4	84%	0.835	69%	0.689	S	S	*	*			trans	47.4	167.1	142.5	-69	177.4	177.5	-179	0	113.8
1686	P	35.3	Very low	31.8	Very low	115.4 Å²	115.4	126.1 Å²	126.1	75%	0.749	70%	0.695	S	S	*	*			cis	-134.5	-179.9	-8.8	38.3	-18.7	0	0	0	115
1687	H	30	Very low	31.6	Very low	139.4 Å²	139.4	123.3 Å²	123.3	65%	0.645	70%	0.695	S	S	*	*				74.4	136.9	126.4	-134.8	-99.4	0	0	0	118.4	Q1689	H1687-Q1689 PolarHBondContact CE1-OE1 3.37Å; H1687-Q1689 VanDerWaalsContact CE1-OE1 3.31Å
1688	Y	30.1	Very low	31.4	Very low	196 Å²	196	123.6 Å²	123.6	77%	0.769	70%	0.699	S	S	*	*			trans	103.9	145.2	141.2	-81.7	-107.4	0	0	0	118.3
1689	Q	28.8	Very low	31.4	Very low	122.8 Å²	122.8	125.6 Å²	125.6	57%	0.574	70%	0.704	S	S	*	*				117.6	108.2	58.8	-157.3	178.6	-18.7	0	0	117.3	Q1585 H1687 T2363 Y2365	Q1585-Q1689 CarbonylContact O-C 2.93Å; Q1585-Q1689 WeakPolarHBondContact O-CA 3.2Å; H1687-Q1689 PolarHBondContact CE1-OE1 3.37Å; H1687-Q1689 VanDerWaalsContact CE1-OE1 3.31Å; Q1689-T2363 WeakPolarHBondContact CG-O 3.17Å; Q1689-T2363 PolarHBondContact NE2-O 3.32Å; Q1689-Y2365 PolarHBondContact O-N 2.84Å; Q1689-Y2365 VanDerWaalsContact O-N 3.16Å
1690	K	30.7	Very low	31.4	Very low	150.2 Å²	150.2	123.6 Å²	123.6	65%	0.653	70%	0.702	S	S	*	*			trans	123.3	0	151.5	-96.9	-165.8	179.1	-151.5	0	118.3	L1584 Q1585 A1586 P1587 P2362 Y2365 T2366	L1584-K1690 HydrophobicContact CB-CD 4.37Å; L1584-K1690 PolarHBondContact O-NZ 3.5Å; Q1585-K1690 VanDerWaalsContact C-C 3.45Å; Q1585-K1690 HydrophobicContact CB-CB 4.24Å; Q1585-K1690 HydrophobicContact CB-CD 3.75Å; Q1585-K1690 HydrophobicContact CG-CB 3.52Å; Q1585-K1690 HydrophobicContact CG-CD 3.68Å; Q1585-K1690 HydrophobicContact CG-CG 4.11Å; Q1585-K1690 WeakPolarHBondContact O-CA 3.18Å; Q1585-K1690 PolarHBondContact O-N 3.48Å; A1586-K1690 VanDerWaalsContact C-C 3.47Å; A1586-K1690 VanDerWaalsContact N-N 3.12Å; P1587-K1690 WeakPolarHBondContact CD-O 3.11Å; P1587-K1690 VanDerWaalsContact N-O 3.15Å; K1690-P2362 HydrophobicContact CD-CG 4.5Å; K1690-P2362 WeakPolarHBondContact CE-O 3.24Å; K1690-P2362 PolarHBondContact NZ-O 3.22Å; K1690-Y2365 CarbonylContact O-C 3.29Å; K1690-Y2365 WeakPolarHBondContact O-CA 3.48Å; K1690-T2366 PolarHBondContact O-N 3.48Å
1691	S	32	Very low	31.2	Very low	66 Å²	66	126.4 Å²	126.4	46%	0.462	71%	0.705	S	S	.	*				0	-160	0	-172.6	0	0	0	0	115	E1326 I1327 S1488 Q1585 A1586 A2364 Y2365 T2366	E1326-S1691 WeakPolarHBondContact O-CB 3.29Å; E1326-S1691 PolarHBondContact O-OG 2.93Å; I1327-S1691 VanDerWaalsContact CD1-C 3.48Å; I1327-S1691 VanDerWaalsContact CD1-O 3.3Å; I1327-S1691 WeakPolarHBondContact CD1-O 3.48Å; S1488-S1691 WeakPolarHBondContact CA-OG 3.19Å; S1488-S1691 WeakPolarHBondContact CB-OG 3.41Å; S1488-S1691 PolarHBondContact OG-OG 3.35Å; Q1585-S1691 VanDerWaalsContact CA-C 3.42Å; Q1585-S1691 WeakPolarHBondContact CB-O 3.5Å; Q1585-S1691 WeakPolarHBondContact CG-O 3.44Å; Q1585-S1691 PolarHBondContact NE2-O 3.31Å; A1586-S1691 VanDerWaalsContact CA-N 3.29Å; A1586-S1691 WeakPolarHBondContact O-CB 3.48Å; S1691-A2364 VanDerWaalsContact C-CB 3.44Å; S1691-A2364 WeakPolarHBondContact O-CB 3.33Å; S1691-Y2365 WeakPolarHBondContact O-CA 3.35Å; S1691-T2366 PolarHBondContact O-N 3.14Å; S1691-T2366 PolarHBondContact O-OG1 3.26Å
1692	P	37.3	Very low	31.3	Very low	73.8 Å²	73.8	128.8 Å²	128.8	48%	0.479	70%	0.701	S	S	.	*			cis	-121.4	178	-19.3	32.8	-14.4	0	0	0	117	E1325 E1326 I1327 V1487 A2364 Y2365	E1325-P1692 HydrophobicContact CB-CB 3.96Å; E1325-P1692 HydrophobicContact CB-CG 4.13Å; E1326-P1692 VanDerWaalsContact C-CA 3.43Å; E1326-P1692 HydrophobicContact CB-CB 3.9Å; E1326-P1692 VanDerWaalsContact N-CB 3.29Å; E1326-P1692 WeakPolarHBondContact O-CA 3.3Å; I1327-P1692 VanDerWaalsContact CD1-C 3.45Å; V1487-P1692 HydrophobicContact CB-CG 4.4Å; V1487-P1692 HydrophobicContact CG1-CG 4.03Å; P1692-A2364 HydrophobicContact CB-CB 3.73Å; P1692-A2364 HydrophobicContact CG-CB 4.1Å; P1692-Y2365 HydrophobicContact CG-CE1 4.12Å
1693	Y	30.7	Very low	31.3	Very low	157.2 Å²	157.2	129.5 Å²	129.5	62%	0.616	69%	0.692	S	S	*	*			trans	150.8	128	161.8	-83.6	-90.3	0	0	0	116.5	E1326 Q1583 L1584	E1326-Y1693 HydrophobicContact CG-CD1 4.14Å; E1326-Y1693 HydrophobicContact CG-CE1 4.09Å; E1326-Y1693 WeakPolarHBondContact OE1-CD1 3.44Å; E1326-Y1693 WeakPolarHBondContact OE1-CE1 3.5Å; E1326-Y1693 WeakPolarHBondContact OE2-CA 3.41Å; E1326-Y1693 VanDerWaalsContact OE2-CD1 3.23Å; E1326-Y1693 WeakPolarHBondContact OE2-CD1 3.45Å; Q1583-Y1693 HydrophobicContact CG-CE1 4.38Å; Q1583-Y1693 WeakPolarHBondContact CG-OH 3.37Å; Q1583-Y1693 PolarHBondContact N-OH 2.96Å; L1584-Y1693 HydrophobicContact CD2-CD1 4.12Å; L1584-Y1693 HydrophobicContact CD2-CD2 3.11Å; L1584-Y1693 HydrophobicContact CD2-CE1 4.32Å; L1584-Y1693 HydrophobicContact CD2-CE2 3.4Å; L1584-Y1693 HydrophobicContact CD2-CG 3.54Å; L1584-Y1693 HydrophobicContact CG-CD2 4.18Å; L1584-Y1693 HydrophobicContact CG-CE2 3.99Å
1694	L	31.8	Very low	31.4	Very low	156.8 Å²	156.8	131.2 Å²	131.2	82%	0.821	69%	0.687	S	S	*	*				119.6	138.8	118	-81.1	138.7	0	0	0	114	E1326	E1326-L1694 PolarHBondContact OE2-N 3.19Å
1695	G	30.7	Very low	31.4	Very low	61.8 Å²	61.8	130.3 Å²	130.3	64%	0.637	68%	0.682	S	S	*	*			trans	158	110.3	161.1	0	0	0	0	0	115.7
1696	H	30.3	Very low	31.3	Very low	175.4 Å²	175.4	128.7 Å²	128.7	81%	0.812	68%	0.677	S	S	*	*			trans	57.7	118.9	149.4	-49.1	-67.6	0	0	0	116.4	S1698	H1696-S1698 PolarHBondContact O-N 2.71Å
1697	S	27.5	Very low	31.2	Very low	118 Å²	118	129.4 Å²	129.4	83%	0.825	67%	0.674	S	S	*	*				87.9	121.3	115.1	-18.9	0	0	0	0	116.2
1698	S	31	Very low	31.2	Very low	101.8 Å²	101.8	129.8 Å²	129.8	71%	0.712	68%	0.677	S	S	*	*			trans	-151.2	133.3	160.4	-106.7	0	0	0	0	112.5	H1696	H1696-S1698 PolarHBondContact O-N 2.71Å
1699	T	31.6	Very low	31.4	Very low	124.2 Å²	124.2	127.8 Å²	127.8	76%	0.762	67%	0.674	S	S	*	*				76.9	121	80.5	-54.2	0	0	0	0	114.5
1700	T	30	Very low	31.5	Very low	109.8 Å²	109.8	126.2 Å²	126.2	67%	0.674	68%	0.676	S	S	*	*			trans	109.5	141.3	135.4	-50.3	0	0	0	0	115.2	L1702	T1700-L1702 HydrophobicContact CG2-CD1 4.13Å; T1700-L1702 HydrophobicContact CG2-CG 4.17Å
1701	Y	28.6	Very low	31.6	Very low	196.2 Å²	196.2	129.7 Å²	129.7	77%	0.769	69%	0.685	S	S	*	*			trans	114.9	130.4	134.3	-101.5	-131.1	0	0	0	115.4	Q1703	Y1701-Q1703 PolarHBondContact OH-OE1 3.35Å
1702	L	33.4	Very low	31.5	Very low	115.4 Å²	115.4	132.9 Å²	132.9	60%	0.604	70%	0.697	S	S	*	*			cis	-116	174.2	37.3	-72.1	172.1	0	0	0	113.5	G1348 D1349 T1700 I1704	G1348-L1702 WeakPolarHBondContact O-CB 3.43Å; D1349-L1702 HydrophobicContact CB-CB 3.93Å; D1349-L1702 VanDerWaalsContact CB-N 3.27Å; D1349-L1702 WeakPolarHBondContact OD2-CB 3.34Å; D1349-L1702 PolarHBondContact OD2-N 3.35Å; T1700-L1702 HydrophobicContact CG2-CD1 4.13Å; T1700-L1702 HydrophobicContact CG2-CG 4.17Å; L1702-I1704 HydrophobicContact CD2-CD1 3.64Å; L1702-I1704 HydrophobicContact CD2-CG1 4.27Å
1703	Q	31.2	Very low	31.1	Very low	128.2 Å²	128.2	136.4 Å²	136.4	60%	0.599	71%	0.709	S	S	*	*			cis	-167.3	133.9	36.1	-173.8	74.4	-30	0	0	109.7	D1347 G1348 Y1701	D1347-Q1703 VanDerWaalsContact C-NE2 3.29Å; D1347-Q1703 PolarHBondContact O-NE2 2.91Å; G1348-Q1703 WeakPolarHBondContact O-CA 3.41Å; G1348-Q1703 WeakPolarHBondContact O-CB 3.2Å; G1348-Q1703 PolarHBondContact O-OE1 3.4Å; G1348-Q1703 VanDerWaalsContact O-OE1 3.12Å; Y1701-Q1703 PolarHBondContact OH-OE1 3.35Å
1704	I	32.5	Very low	31.1	Very low	125.2 Å²	125.2	136.5 Å²	136.5	64%	0.642	72%	0.715	S	S	*	*			trans	42.4	135.9	156.6	-47.1	176.1	0	0	0	114.2	D1347 L1702 E1706	D1347-I1704 HydrophobicContact CB-CD1 3.94Å; D1347-I1704 HydrophobicContact CB-CG1 4.33Å; L1702-I1704 HydrophobicContact CD2-CD1 3.64Å; L1702-I1704 HydrophobicContact CD2-CG1 4.27Å; I1704-E1706 HydrophobicContact CG2-CB 4.04Å; I1704-E1706 HydrophobicContact CG2-CG 3.82Å
1705	V	32.4	Very low	31	Very low	111 Å²	111	139.8 Å²	139.8	67%	0.673	72%	0.716	S	S	*	*			cis	-151.8	133.5	28.1	162.7	0	0	0	0	108.6
1706	E	30.8	Very low	31.1	Very low	158.8 Å²	158.8	142.5 Å²	142.5	74%	0.742	72%	0.721	S	S	*	*				69.6	129.8	129.6	-85.2	173.7	168.5	0	0	114.9	I1704	I1704-E1706 HydrophobicContact CG2-CB 4.04Å; I1704-E1706 HydrophobicContact CG2-CG 3.82Å
1707	D	33.2	Very low	31.1	Very low	129.6 Å²	129.6	140.1 Å²	140.1	69%	0.693	72%	0.719	S	S	*	*				-158.9	139.7	96.2	-145.7	-5.6	0	0	0	109	H1709	D1707-H1709 IonicContact OD1-CE1 2.9Å; D1707-H1709 IonicContact OD1-CG 3.8Å; D1707-H1709 PolarHBondContact OD1-N 2.99Å; D1707-H1709 IonicContact OD1-ND1 3.87Å; D1707-H1709 PolarHBondContact OD1-ND1 3.13Å; D1707-H1709 IonicContact OD2-CE1 2.97Å; D1707-H1709 PolarHBondContact OD2-CE1 3.48Å; D1707-H1709 IonicContact OD2-ND1 3.33Å; D1707-H1709 PolarHBondContact OD2-ND1 3.14Å
1708	Q	31.2	Very low	31.5	Very low	147.8 Å²	147.8	139.9 Å²	139.9	69%	0.691	72%	0.715	S	S	*	*				-164.3	139.1	125.5	-72.8	-130.8	29.3	0	0	113.4
1709	H	34	Very low	31.5	Very low	154.6 Å²	154.6	142.1 Å²	142.1	72%	0.716	72%	0.718	S	S	*	*			trans	92.7	123.8	147.2	-76	85.4	0	0	0	116	D1707	D1707-H1709 IonicContact OD1-CE1 2.9Å; D1707-H1709 IonicContact OD1-CG 3.8Å; D1707-H1709 PolarHBondContact OD1-N 2.99Å; D1707-H1709 IonicContact OD1-ND1 3.87Å; D1707-H1709 PolarHBondContact OD1-ND1 3.13Å; D1707-H1709 IonicContact OD2-CE1 2.97Å; D1707-H1709 PolarHBondContact OD2-CE1 3.48Å; D1707-H1709 IonicContact OD2-ND1 3.33Å; D1707-H1709 PolarHBondContact OD2-ND1 3.14Å
1710	S	30.5	Very low	31.5	Very low	88.2 Å²	88.2	144 Å²	144	62%	0.617	72%	0.718	S	S	*	*				108.3	128.7	66.4	-82.5	0	0	0	0	116.4
1711	R	32.1	Very low	31.6	Very low	223.6 Å²	223.6	142.5 Å²	142.5	84%	0.844	71%	0.712	S	S	*	*			trans	72.9	125.4	141	-65.8	166.5	-177.7	171.9	1.1	115.5	M1713	R1711-M1713 HydrophobicContact CB-CG 4.42Å
1712	N	30.1	Very low	31.9	Very low	134.4 Å²	134.4	141.1 Å²	141.1	72%	0.719	71%	0.712	S	S	*	*				-166.7	137.9	75.9	-156.1	1.3	0	0	0	112.6
1713	M	29.3	Very low	31.8	Very low	146.8 Å²	146.8	144 Å²	144	72%	0.723	72%	0.722	S	S	*	*			trans	159.8	97.3	158.7	-75.5	-59.2	-115.3	0	0	114	R1711	R1711-M1713 HydrophobicContact CB-CG 4.42Å
1714	Q	30.1	Very low	31.8	Very low	159 Å²	159	142.8 Å²	142.8	74%	0.743	73%	0.728	S	S	*	*				142.7	115.3	89.3	-133.4	147	38.1	0	0	113.2
1715	R	31.1	Very low	31.7	Very low	225 Å²	225	144.6 Å²	144.6	85%	0.849	73%	0.734	S	S	*	*			trans	104.9	132.1	158.2	-81	176.6	-178.2	-134.8	-1.3	113.2
1716	T	31.5	Very low	31.7	Very low	119.2 Å²	119.2	146.2 Å²	146.2	73%	0.731	74%	0.738	S	S	*	*			cis	157.5	141.9	23.3	-39.9	0	0	0	0	111.4
1717	V	31.2	Very low	31.7	Very low	126.2 Å²	126.2	144 Å²	144	77%	0.765	74%	0.735	S	S	*	*			trans	-61.4	150.8	147.2	-121.6	0	0	0	0	113.8	L1719	V1717-L1719 HydrophobicContact CG1-CB 4.37Å
1718	P	34.8	Very low	31.8	Very low	113.6 Å²	113.6	144.7 Å²	144.7	74%	0.738	74%	0.737	S	S	*	*				-122.1	170.9	69.9	38.2	-27.9	0	0	0	113.8
1719	L	32	Very low	31.8	Very low	148.2 Å²	148.2	144.8 Å²	144.8	78%	0.776	74%	0.737	S	S	*	*				116.2	115.5	118.3	-144	65.6	0	0	0	113	V1717	V1717-L1719 HydrophobicContact CG1-CB 4.37Å
1720	E	31.5	Very low	31.8	Very low	163.6 Å²	163.6	142.6 Å²	142.6	76%	0.764	73%	0.731	S	S	*	*				114.3	148.6	128.2	-93.3	-168.7	87.2	0	0	113.4	Q1722	E1720-Q1722 PolarHBondContact OE1-NE2 3.26Å
1721	S	32.7	Very low	32	Very low	78 Å²	78	145 Å²	145	55%	0.545	73%	0.733	S	S	.	*			cis	153.7	145.9	-12.6	46.4	0	0	0	0	113.6
1722	Q	35.1	Very low	32	Very low	166.2 Å²	166.2	141.4 Å²	141.4	78%	0.777	73%	0.725	S	S	*	*			trans	-149.7	147.9	154.6	-63.6	175.8	35	0	0	114.5	E1720	E1720-Q1722 PolarHBondContact OE1-NE2 3.26Å
1723	Q	31.2	Very low	32	Very low	176.4 Å²	176.4	139.6 Å²	139.6	82%	0.824	72%	0.719	S	S	*	*			trans	-159.5	139.9	146.1	-147	176.3	44.7	0	0	111.3
1724	S	31	Very low	32.1	Very low	103.2 Å²	103.2	139.7 Å²	139.7	72%	0.722	72%	0.718	S	S	*	*			trans	179.9	147	176	56.2	0	0	0	0	112.9
1725	H	30.8	Very low	32.1	Very low	163.4 Å²	163.4	139.8 Å²	139.8	76%	0.756	72%	0.716	S	S	*	*			cis	148.9	134.9	36.3	-164.2	-91.2	0	0	0	114.6	V1727	H1725-V1727 VanDerWaalsContact CE1-CG2 3.45Å; H1725-V1727 WeakPolarHBondContact CE1-CG2 3.42Å
1726	L	30.9	Very low	32.1	Very low	144.6 Å²	144.6	135.5 Å²	135.5	76%	0.757	72%	0.715	S	S	*	*			trans	62	147	166.7	-81.7	135.3	0	0	0	113.8
1727	V	31.2	Very low	32.1	Very low	113.4 Å²	113.4	133.2 Å²	133.2	69%	0.687	71%	0.714	S	S	*	*			cis	158.3	148.1	23.4	157.6	0	0	0	0	110.7	H1725	H1725-V1727 VanDerWaalsContact CE1-CG2 3.45Å; H1725-V1727 WeakPolarHBondContact CE1-CG2 3.42Å
1728	I	34.4	Very low	32.3	Very low	144 Å²	144	132.5 Å²	132.5	74%	0.738	71%	0.713	S	S	*	*			trans	91.1	128.3	156.9	-61.6	-166.5	0	0	0	113.7
1729	Q	32.1	Very low	32.1	Very low	148.4 Å²	148.4	135.4 Å²	135.4	69%	0.693	72%	0.716	S	S	*	*			cis	111.7	141.3	27.9	-153.1	180	-49.9	0	0	112.8
1730	D	34.9	Very low	31.9	Very low	108.6 Å²	108.6	132.6 Å²	132.6	58%	0.581	71%	0.709	S	S	*	*				157.6	146.3	99.8	-98.7	-20.7	0	0	0	114.2
1731	Q	34.4	Very low	31.7	Very low	139 Å²	139	130.6 Å²	130.6	65%	0.65	71%	0.708	S	S	*	*				75.2	134.3	81.5	-83.3	-175.9	91.8	0	0	117.2
1732	Q	32.5	Very low	31.6	Very low	148.6 Å²	148.6	134.3 Å²	134.3	69%	0.694	72%	0.716	S	S	*	*			trans	85.9	130.1	136	-76.8	-172.5	35.1	0	0	118.1
1733	T	29.2	Very low	31.3	Very low	96.4 Å²	96.4	132.3 Å²	132.3	59%	0.591	71%	0.711	S	S	*	*				108.9	142.5	94.4	39.4	0	0	0	0	116.7
1734	H	31.1	Very low	31.2	Very low	148.2 Å²	148.2	128.4 Å²	128.4	69%	0.686	70%	0.703	S	S	*	*				108.7	154.7	124.4	-78.4	-25.3	0	0	0	115.5
1735	K	30.4	Very low	31.1	Very low	162.4 Å²	162.4	128.2 Å²	128.2	71%	0.706	70%	0.702	S	S	*	*			cis	179.6	151.5	27	-91.9	166.2	-178.9	164.4	0	112.7
1736	T	31.5	Very low	31	Very low	134.2 Å²	134.2	129.5 Å²	129.5	82%	0.823	71%	0.708	S	S	*	*				85.9	128.2	124	35.3	0	0	0	0	115.7	P1738	T1736-P1738 WeakPolarHBondContact O-CD 3.47Å
1737	G	30.8	Very low	31	Very low	70.6 Å²	70.6	125.9 Å²	125.9	73%	0.728	71%	0.706	S	S	*	*			trans	10.7	-158.1	130.1	0	0	0	0	0	112.7
1738	P	36.6	Very low	31	Very low	112.2 Å²	112.2	125.5 Å²	125.5	73%	0.729	71%	0.708	S	S	*	*			cis	-125.4	-159.5	-16.5	36.4	-16.5	0	0	0	112.8	T1736	T1736-P1738 WeakPolarHBondContact O-CD 3.47Å
1739	Q	28.8	Very low	30.8	Very low	172.8 Å²	172.8	124.9 Å²	124.9	81%	0.807	71%	0.706	S	S	*	*			trans	70.1	139.9	160.9	-59.5	-117.2	-24	0	0	116.9
1740	S	28.3	Very low	30.6	Very low	91 Å²	91	123.9 Å²	123.9	64%	0.636	71%	0.705	S	S	*	*			cis	171.8	162.1	9.7	97.6	0	0	0	0	110.3
1741	V	28.6	Very low	30.4	Very low	120.8 Å²	120.8	125.1 Å²	125.1	73%	0.732	71%	0.707	S	S	*	*			trans	52.1	133.8	146.3	-113.2	0	0	0	0	115.8
1742	H	29.3	Very low	30.3	Very low	156.2 Å²	156.2	125.2 Å²	125.2	72%	0.723	71%	0.712	S	S	*	*				57.3	159.5	90	-91.2	-116.4	0	0	0	111.9
1743	D	29.5	Very low	30.3	Very low	124.6 Å²	124.6	122.5 Å²	122.5	67%	0.666	71%	0.705	S	S	*	*			cis	-151.5	164.2	20.3	-139	-36.6	0	0	0	112.9
1744	S	29.6	Very low	30.4	Very low	94.6 Å²	94.6	122.9 Å²	122.9	66%	0.662	70%	0.703	S	S	*	*			trans	23.4	151.5	154.1	-43.7	0	0	0	0	116.7
1745	S	29.1	Very low	30.3	Very low	99.2 Å²	99.2	120.5 Å²	120.5	69%	0.694	70%	0.699	S	S	*	*			cis	-174	152.3	6.7	36.2	0	0	0	0	112.6
1746	E	27.7	Very low	30.4	Very low	189.2 Å²	189.2	118.5 Å²	118.5	88%	0.884	70%	0.701	S	S	*	*			trans	42.8	137.6	139.4	-49.2	-167.2	133.5	0	0	119.8
1747	G	30.9	Very low	30.3	Very low	69 Å²	69	117.6 Å²	117.6	71%	0.711	69%	0.691	S	S	*	*			trans	147	136.5	149.6	0	0	0	0	0	116.8
1748	S	30.8	Very low	30.3	Very low	104.6 Å²	104.6	119.6 Å²	119.6	73%	0.731	69%	0.688	S	S	*	*				76.2	145.4	84.4	-132.6	0	0	0	0	114.8
1749	L	29.9	Very low	30	Very low	133.2 Å²	133.2	119 Å²	119	70%	0.697	69%	0.686	S	S	*	*			trans	162.5	122.8	133.9	-85.8	164.1	0	0	0	111.6
1750	N	29	Very low	30.4	Very low	125.6 Å²	125.6	115.9 Å²	115.9	67%	0.672	68%	0.681	S	S	*	*				65.1	139.3	104.5	-72.7	-14.9	0	0	0	116.7
1751	Q	30.7	Very low	30.8	Very low	133.8 Å²	133.8	117.1 Å²	117.1	63%	0.625	69%	0.687	S	S	*	*			cis	152.2	152.8	41.8	-91.6	173.2	88	0	0	112.9	N1619	N1619-Q1751 HydrophobicContact CB-CG 3.86Å; N1619-Q1751 VanDerWaalsContact CG-CG 3.43Å
1752	L	32.9	Very low	30.8	Very low	142 Å²	142	117.8 Å²	117.8	74%	0.743	69%	0.686	S	S	*	*				107.5	136	117.2	-79.8	161.8	0	0	0	115.6
1753	V	31	Very low	30.9	Very low	92.4 Å²	92.4	117.3 Å²	117.3	56%	0.56	69%	0.689	S	S	*	*				110.6	132.1	97	-120.6	0	0	0	0	113	N1618 N1619	N1618-V1753 WeakPolarHBondContact ND2-CG1 3.46Å; N1618-V1753 VanDerWaalsContact OD1-CG2 3.28Å; N1618-V1753 WeakPolarHBondContact OD1-CG2 3.11Å; N1619-V1753 VanDerWaalsContact ND2-CG2 3.28Å; N1619-V1753 WeakPolarHBondContact ND2-CG2 3.16Å
1754	D	31	Very low	30.8	Very low	103.8 Å²	103.8	116.9 Å²	116.9	56%	0.555	69%	0.691	S	S	*	*			cis	-168.6	160.8	27.5	-111.5	-51.5	0	0	0	115.1	A1662 Q1663	A1662-D1754 VanDerWaalsContact CA-OD1 3.25Å; A1662-D1754 WeakPolarHBondContact CA-OD1 3.35Å; A1662-D1754 PolarHBondContact N-OD1 3.47Å; Q1663-D1754 WeakPolarHBondContact CA-OD2 3.48Å; Q1663-D1754 HydrophobicContact CB-CB 3.93Å; Q1663-D1754 VanDerWaalsContact CB-CG 3.48Å; Q1663-D1754 WeakPolarHBondContact CB-OD2 3.43Å; Q1663-D1754 HydrophobicContact CG-CB 4.06Å; Q1663-D1754 VanDerWaalsContact CG-OD2 3.23Å; Q1663-D1754 WeakPolarHBondContact CG-OD2 3.5Å; Q1663-D1754 PolarHBondContact N-OD1 3.26Å; Q1663-D1754 VanDerWaalsContact NE2-CB 3.27Å; Q1663-D1754 PolarHBondContact NE2-OD2 3.44Å
1755	T	30.5	Very low	30.9	Very low	97.8 Å²	97.8	118.9 Å²	118.9	60%	0.6	69%	0.693	S	S	*	*			trans	75.5	115.2	140.5	-51.6	0	0	0	0	116.7	Q1617 Q1663	Q1617-T1755 PolarHBondContact NE2-OG1 2.72Å; Q1663-T1755 PolarHBondContact OE1-OG1 2.99Å
1756	V	31.7	Very low	30.9	Very low	121.4 Å²	121.4	120.9 Å²	120.9	74%	0.736	70%	0.695	S	S	*	*				92.6	139.8	123.2	-79.3	0	0	0	0	116.1
1757	D	29.1	Very low	30.9	Very low	114.6 Å²	114.6	118.2 Å²	118.2	61%	0.613	69%	0.687	S	S	*	*				160.8	140.2	90.6	-110.8	-23.3	0	0	0	115.4	L1469 V1470 N1471 Y1615	L1469-D1757 WeakPolarHBondContact O-CB 3.31Å; V1470-D1757 VanDerWaalsContact C-CB 3.47Å; V1470-D1757 VanDerWaalsContact C-OD2 3.26Å; V1470-D1757 WeakPolarHBondContact CA-OD2 2.94Å; V1470-D1757 PolarHBondContact N-OD2 3.41Å; V1470-D1757 CarbonylContact O-C 3.52Å; N1471-D1757 VanDerWaalsContact CA-OD1 3.22Å; N1471-D1757 WeakPolarHBondContact CA-OD1 3.33Å; N1471-D1757 PolarHBondContact N-OD1 3.26Å; N1471-D1757 PolarHBondContact N-OD2 3.48Å; N1471-D1757 VanDerWaalsContact N-OD2 3.08Å; N1471-D1757 CarbonylContact O-C 3.58Å; N1471-D1757 VanDerWaalsContact O-CA 3.23Å; N1471-D1757 WeakPolarHBondContact O-CA 2.99Å; Y1615-D1757 WeakPolarHBondContact CE2-OD1 3.39Å
1758	V	30.7	Very low	30.8	Very low	112.2 Å²	112.2	118.7 Å²	118.7	68%	0.68	68%	0.684	S	S	*	*			trans	59.9	129.5	139.1	166.6	0	0	0	0	115.6	V1470 N1471 Y1615	V1470-V1758 CarbonylContact O-C 3.41Å; V1470-V1758 WeakPolarHBondContact O-CA 3.26Å; V1470-V1758 PolarHBondContact O-N 3.3Å; N1471-V1758 VanDerWaalsContact CB-C 3.47Å; N1471-V1758 VanDerWaalsContact CB-O 3.28Å; N1471-V1758 WeakPolarHBondContact CB-O 3.31Å; N1471-V1758 PolarHBondContact O-N 3.37Å; Y1615-V1758 HydrophobicContact CE2-CG2 4.44Å
1759	C	30.1	Very low	30.8	Very low	101.2 Å²	101.2	123.9 Å²	123.9	68%	0.684	69%	0.689	S	S	*	*			trans	75.4	170.4	144.9	-97.8	0	0	0	0	117.2	V1470 N1471	V1470-C1759 HydrophobicContact CB-CB 3.77Å; V1470-C1759 HydrophobicContact CG2-CB 3.44Å; V1470-C1759 VanDerWaalsContact CG2-CB 3.44Å; V1470-C1759 PolarHBondContact O-N 3.26Å; N1471-C1759 HydrophobicContact CB-CB 3.61Å; N1471-C1759 WeakPolarHBondContact OD1-CB 3.42Å; N1471-C1759 PolarHBondContact OD1-SG 2.69Å
1760	P	37.5	Very low	30.7	Very low	107.6 Å²	107.6	124.2 Å²	124.2	70%	0.699	69%	0.692	S	S	*	*				-116.7	-169.8	-111.1	37.3	-21.4	0	0	0	113.7
1761	P	36.8	Very low	31	Very low	115.6 Å²	115.6	125.4 Å²	125.4	75%	0.751	70%	0.695	S	S	*	*			trans	-106.3	154.4	171	37.3	-28.6	0	0	0	112.9
1762	N	29.5	Very low	31.3	Very low	136 Å²	136	124.1 Å²	124.1	73%	0.727	70%	0.698	S	S	*	*				89.9	126.5	114.9	-104.5	-20.7	0	0	0	115.5
1763	N	30.1	Very low	31.5	Very low	144.8 Å²	144.8	122.1 Å²	122.1	77%	0.774	69%	0.693	S	S	*	*			trans	-34.6	151.3	131.9	-98.1	-25.3	0	0	0	114
1764	T	29.2	Very low	31.5	Very low	115.4 Å²	115.4	127.9 Å²	127.9	71%	0.708	71%	0.705	S	S	*	*			trans	145.8	111.5	136.6	-58.3	0	0	0	0	114.3
1765	I	30.2	Very low	31.4	Very low	138.4 Å²	138.4	128.3 Å²	128.3	71%	0.71	71%	0.707	S	S	*	*			trans	60.6	141.6	135.7	-67.1	175.1	0	0	0	116.5
1766	L	29.6	Very low	31.5	Very low	140.6 Å²	140.6	128.6 Å²	128.6	74%	0.736	71%	0.709	S	S	*	*			trans	104.5	120.2	141.9	-70	172.6	0	0	0	116.7
1767	N	28.1	Very low	31.5	Very low	131.6 Å²	131.6	128 Å²	128	70%	0.704	71%	0.71	S	S	*	*				94.1	124.8	112.3	-76.8	-7.1	0	0	0	114.4	Y1769	N1767-Y1769 HydrophobicContact CB-CD2 4.22Å; N1767-Y1769 HydrophobicContact CB-CE2 3.97Å
1768	A	29	Very low	31.7	Very low	79.4 Å²	79.4	125.3 Å²	125.3	66%	0.656	71%	0.71	S	S	*	*			cis	156.1	127.5	32	0	0	0	0	0	109.8
1769	Y	29.9	Very low	32	Very low	214.8 Å²	214.8	127.8 Å²	127.8	84%	0.842	71%	0.714	S	S	*	*			trans	108.7	108.9	151.9	-61	-71.8	0	0	0	112	N1767	N1767-Y1769 HydrophobicContact CB-CD2 4.22Å; N1767-Y1769 HydrophobicContact CB-CE2 3.97Å
1770	D	28.3	Very low	32.2	Very low	140 Å²	140	129 Å²	129	75%	0.749	71%	0.713	S	S	*	*				-158.2	138.8	57	-161.5	-0.1	0	0	0	110.9
1771	M	35.1	Very low	32.1	Very low	150.2 Å²	150.2	131.5 Å²	131.5	74%	0.74	72%	0.72	S	S	*	*			trans	0.7	162.4	174.6	-67.6	-72.5	104.6	0	0	116	P1773	M1771-P1773 HydrophobicContact CE-CG 4.49Å
1772	P	37.6	Very low	31.9	Very low	106 Å²	106	129.1 Å²	129.1	69%	0.688	72%	0.717	S	S	*	*			cis	-130.5	169.3	3.3	39.5	-23.2	0	0	0	114.1
1773	P	37.4	Very low	32.1	Very low	99.6 Å²	99.6	128.2 Å²	128.2	65%	0.647	72%	0.721	S	S	*	*			trans	-103.2	162.6	156.9	30.1	-21.5	0	0	0	112.3	M1771 D1775	M1771-P1773 HydrophobicContact CE-CG 4.49Å; P1773-D1775 PolarHBondContact O-N 3.11Å
1774	R	29.7	Very low	32.3	Very low	214 Å²	214	125.5 Å²	125.5	81%	0.808	71%	0.713	S	S	*	*			trans	164.4	133.5	148.5	-124.1	-176	170.8	160.9	7.1	115.1	E2360 S2361	R1774-E2360 CarbonylContact C-O 3.25Å; R1774-E2360 CarbonylContact O-C 3.29Å; R1774-E2360 VanDerWaalsContact O-C 3.29Å; R1774-S2361 CarbonylContact O-C 3.42Å; R1774-S2361 WeakPolarHBondContact O-CA 3.46Å; R1774-S2361 PolarHBondContact O-N 2.74Å
1775	D	29.6	Very low	32.5	Very low	113.4 Å²	113.4	128.2 Å²	128.2	61%	0.606	72%	0.718	S	S	*	*			trans	16.5	132.4	148.8	-67.7	-27	0	0	0	117	P1773 E2360	P1773-D1775 PolarHBondContact O-N 3.11Å; D1775-E2360 PolarHBondContact N-O 3.41Å; D1775-E2360 VanDerWaalsContact N-O 3.14Å
1776	T	32.3	Very low	32.6	Very low	104.4 Å²	104.4	126.2 Å²	126.2	64%	0.64	72%	0.716	S	S	*	*				121.3	133.9	87.9	35.8	0	0	0	0	114.8
1777	S	32.7	Very low	33	Very low	107.6 Å²	107.6	125.9 Å²	125.9	75%	0.752	72%	0.719	S	S	*	*				103.8	142.7	124.4	42.4	0	0	0	0	115
1778	G	33.2	Very low	33.6	Very low	58.4 Å²	58.4	125.3 Å²	125.3	60%	0.602	72%	0.723	S	S	*	*			cis	150	137.2	34.1	0	0	0	0	0	113.1
1779	H	36.8	Very low	33.9	Very low	165.8 Å²	165.8	124.8 Å²	124.8	77%	0.768	73%	0.726	S	S	*	*			trans	64	142.5	161.8	-66	-86.4	0	0	0	117.3
1780	D	33.4	Very low	34.6	Very low	125.4 Å²	125.4	120.7 Å²	120.7	67%	0.671	73%	0.725	S	S	*	*			cis	158.1	149.6	21.3	-100.1	-8.8	0	0	0	116.2
1781	L	35.9	Very low	35	Very low	160.2 Å²	160.2	121.7 Å²	121.7	84%	0.839	73%	0.725	S	S	*	*				51.7	149.5	124.1	-73.3	172.7	0	0	0	116.3
1782	G	32.6	Very low	35.3	Very low	66 Å²	66	120.3 Å²	120.3	68%	0.68	73%	0.727	S	S	*	*				136.8	102.2	126.3	0	0	0	0	0	114.2
1783	S	34.2	Very low	35	Very low	116.2 Å²	116.2	124.4 Å²	124.4	81%	0.813	73%	0.729	S	S	*	*				56.8	141.2	126.7	-82.7	0	0	0	0	116.9
1784	S	32.8	Very low	34.8	Very low	88.4 Å²	88.4	126.9 Å²	126.9	62%	0.618	73%	0.732	S	S	*	*			cis	158.8	159.2	-3.9	-81.9	0	0	0	0	109.7
1785	Q	33.6	Very low	34.8	Very low	172 Å²	172	120.9 Å²	120.9	80%	0.804	72%	0.722	S	S	*	*				114.2	149.3	126.7	-89.5	165	53.9	0	0	115.4
1786	S	32.7	Very low	34.9	Very low	96.2 Å²	96.2	121.3 Å²	121.3	67%	0.673	73%	0.728	S	S	*	*			trans	98	134.3	149.2	59	0	0	0	0	116.6
1787	V	37.8	Very low	34.8	Very low	133.6 Å²	133.6	122.6 Å²	122.6	81%	0.81	73%	0.731	S	S	*	*				70.7	135.5	82.8	-178.1	0	0	0	0	113.4
1788	P	40.9	Very low	34.7	Very low	120.6 Å²	120.6	122.5 Å²	122.5	78%	0.783	73%	0.726	S	S	*	*			cis	-124.1	165.7	13.5	30	-12.6	0	0	0	115.9
1789	G	36.1	Very low	34.8	Very low	68.8 Å²	68.8	127.3 Å²	127.3	71%	0.709	74%	0.737	S	S	*	*			trans	-108.2	162.4	163.1	0	0	0	0	0	114.4	H1791	G1789-H1791 PolarHBondContact O-N 3.45Å
1790	P	43.5	Very low	34.6	Very low	128.2 Å²	128.2	124.9 Å²	124.9	83%	0.832	73%	0.734	S	S	*	*			trans	-114.9	151	161.3	37.2	-30.4	0	0	0	115.4
1791	H	37.4	Very low	34.5	Very low	160 Å²	160	122.2 Å²	122.2	74%	0.741	74%	0.736	S	S	*	*			trans	-73	153	165.6	-79.3	-83.8	0	0	0	112.2	G1789 R1793	G1789-H1791 PolarHBondContact O-N 3.45Å; H1791-R1793 HydrophobicContact CB-CB 4.13Å; H1791-R1793 HydrophobicContact CB-CG 3.83Å; H1791-R1793 PolarHBondContact O-N 3.5Å
1792	P	40.5	Very low	34.3	Very low	121 Å²	121	122.1 Å²	122.1	79%	0.786	74%	0.736	S	S	*	*				-106.5	136.5	127.4	32.4	-28.9	0	0	0	113.1
1793	R	32.3	Very low	34.5	Very low	192.2 Å²	192.2	126.8 Å²	126.8	73%	0.725	75%	0.745	S	S	*	*			trans	-84.3	130.8	144.6	-77.7	-161.9	161.6	-155.1	-1.2	114.3	E1647 H1791 C1795	E1647-R1793 IonicContact OE1-CZ 2.94Å; E1647-R1793 IonicContact OE1-NE 2.56Å; E1647-R1793 PolarHBondContact OE1-NE 3.4Å; E1647-R1793 IonicContact OE1-NH2 3.96Å; E1647-R1793 PolarHBondContact OE1-NH2 3.48Å; H1791-R1793 HydrophobicContact CB-CB 4.13Å; H1791-R1793 HydrophobicContact CB-CG 3.83Å; H1791-R1793 PolarHBondContact O-N 3.5Å; R1793-C1795 PolarHBondContact O-N 3.49Å
1794	H	32.6	Very low	34.8	Very low	153 Å²	153	126.3 Å²	126.3	71%	0.708	74%	0.738	S	S	*	*			trans	9.6	122.5	135.6	-78.5	-105.7	0	0	0	114
1795	C	30.5	Very low	34.9	Very low	88.4 Å²	88.4	130.7 Å²	130.7	60%	0.597	75%	0.749	S	S	*	*				-138.7	134	112.6	-80.9	0	0	0	0	109.8	R1645 R1793 N1797 T2333	R1645-C1795 PolarHBondContact NH2-SG 3.27Å; R1793-C1795 PolarHBondContact O-N 3.49Å; C1795-N1797 HydrophobicContact CB-CB 4.36Å; C1795-N1797 VanDerWaalsContact CB-OD1 3.26Å; C1795-N1797 WeakPolarHBondContact CB-OD1 3.36Å; C1795-N1797 PolarHBondContact O-N 3.44Å; C1795-T2333 VanDerWaalsContact C-OG1 3.27Å; C1795-T2333 WeakPolarHBondContact O-CG2 3.31Å; C1795-T2333 PolarHBondContact O-OG1 3.06Å
1796	V	30.5	Very low	35.1	Very low	121.6 Å²	121.6	129.8 Å²	129.8	74%	0.737	75%	0.749	S	S	*	*			trans	-62.4	114.5	145.3	-103.2	0	0	0	0	112.6	T1798	V1796-T1798 PolarHBondContact O-N 3.43Å
1797	N	30.6	Very low	35.3	Very low	130.2 Å²	130.2	129.1 Å²	129.1	70%	0.696	74%	0.744	S	S	*	*			trans	-123.1	124.9	154.4	-92.6	8.3	0	0	0	112.6	C1795 L1799 P2331	C1795-N1797 HydrophobicContact CB-CB 4.36Å; C1795-N1797 VanDerWaalsContact CB-OD1 3.26Å; C1795-N1797 WeakPolarHBondContact CB-OD1 3.36Å; C1795-N1797 PolarHBondContact O-N 3.44Å; N1797-L1799 PolarHBondContact O-N 2.8Å; N1797-P2331 CarbonylContact C-O 3.05Å; N1797-P2331 WeakPolarHBondContact CA-O 3.47Å; N1797-P2331 PolarHBondContact N-O 3.49Å
1798	T	30.8	Very low	35.2	Very low	106 Å²	106	129.7 Å²	129.7	65%	0.65	75%	0.748	S	S	*	*			trans	-93.2	131.9	146.6	38.4	0	0	0	0	112.6	V1796 T1800 M2330 P2331	V1796-T1798 PolarHBondContact O-N 3.43Å; T1798-T1800 HydrophobicContact CG2-CG2 3.86Å; T1798-M2330 VanDerWaalsContact CG2-CA 3.41Å; T1798-M2330 HydrophobicContact CG2-CB 3.34Å; T1798-M2330 HydrophobicContact CG2-CE 3.62Å; T1798-M2330 HydrophobicContact CG2-CG 3.41Å; T1798-M2330 VanDerWaalsContact CG2-CG 3.41Å; T1798-M2330 HydrophobicContact CG2-SD 3.25Å; T1798-M2330 WeakPolarHBondContact CG2-SD 3.47Å; T1798-P2331 WeakPolarHBondContact CG2-O 3.42Å; T1798-P2331 PolarHBondContact N-O 3.39Å
1799	L	34.5	Very low	35.1	Very low	160.2 Å²	160.2	127.7 Å²	127.7	84%	0.839	74%	0.737	S	S	*	*			trans	-150.3	122.3	143	-140.3	84.5	0	0	0	110.6	N1797	N1797-L1799 PolarHBondContact O-N 2.8Å
1800	T	32.8	Very low	35.2	Very low	115.6 Å²	115.6	130.7 Å²	130.7	71%	0.709	74%	0.736	S	S	*	*			trans	-54.6	131	161.8	50.1	0	0	0	0	114	T1798 T2329	T1798-T1800 HydrophobicContact CG2-CG2 3.86Å; T1800-T2329 HydrophobicContact CG2-CG2 3.67Å
1801	G	33	Very low	35.1	Very low	67.6 Å²	67.6	132.5 Å²	132.5	70%	0.697	74%	0.738	S	S	*	*			trans	-159.6	77.8	177.1	0	0	0	0	0	112	L1803	G1801-L1803 PolarHBondContact O-N 3.18Å
1802	N	31.3	Very low	35.2	Very low	158 Å²	158	132.8 Å²	132.8	85%	0.845	74%	0.739	S	S	*	*			trans	-27.4	115.2	179.9	-58	-17.1	0	0	0	114.8
1803	L	36.9	Very low	35.4	Very low	165.4 Å²	165.4	132.4 Å²	132.4	87%	0.866	74%	0.735	S	S	*	*			trans	-127.4	139.9	155.7	-84.8	127.1	0	0	0	110.2	G1801	G1801-L1803 PolarHBondContact O-N 3.18Å
1804	P	40.6	Very low	35.5	Very low	104.8 Å²	104.8	131.9 Å²	131.9	68%	0.681	74%	0.741	S	S	*	*			trans	-85.7	157.5	-155.3	33.5	-34.6	0	0	0	113	L1806	P1804-L1806 HydrophobicContact CG-CD2 4.39Å; P1804-L1806 PolarHBondContact O-N 3.04Å; P1804-L1806 VanDerWaalsContact O-N 3.09Å
1805	E	34.2	Very low	35.9	Very low	181.8 Å²	181.8	132.9 Å²	132.9	85%	0.85	75%	0.75	S	S	*	*			trans	-64.8	115.9	162.7	-65.3	177.8	116.3	0	0	109.2	S1807	E1805-S1807 VanDerWaalsContact C-N 3.3Å; E1805-S1807 PolarHBondContact O-N 2.85Å
1806	L	37	Very low	36.2	Very low	152 Å²	152	131.7 Å²	131.7	80%	0.796	75%	0.753	S	S	*	*			trans	-83.8	92.4	166.4	-72.5	176.1	0	0	0	108.4	P1804 V1808	P1804-L1806 HydrophobicContact CG-CD2 4.39Å; P1804-L1806 PolarHBondContact O-N 3.04Å; P1804-L1806 VanDerWaalsContact O-N 3.09Å; L1806-V1808 PolarHBondContact O-N 2.99Å
1807	S	37.2	Very low	36.9	Very low	82 Å²	82	130.9 Å²	130.9	57%	0.573	75%	0.75	S	S	*	*			trans	-52	142.4	167.2	-164.3	0	0	0	0	110.5	E1805 S1809	E1805-S1807 VanDerWaalsContact C-N 3.3Å; E1805-S1807 PolarHBondContact O-N 2.85Å; S1807-S1809 PolarHBondContact O-N 3.3Å; S1807-S1809 PolarHBondContact OG-OG 2.91Å
1808	V	36.8	Very low	37.2	Very low	146.6 Å²	146.6	130.3 Å²	130.3	89%	0.888	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	67.5	176.3	-171	0	0	0	0	109.2	L1806	L1806-V1808 PolarHBondContact O-N 2.99Å
1809	S	38.1	Very low	37.7	Very low	78 Å²	78	130.6 Å²	130.6	55%	0.545	76%	0.758	S	S	.	*	T	Hydrogen-bonded Turn	trans	-146	3	-176.6	-56.6	0	0	0	0	111.7	S1807 I1811	S1807-S1809 PolarHBondContact O-N 3.3Å; S1807-S1809 PolarHBondContact OG-OG 2.91Å; S1809-I1811 VanDerWaalsContact C-N 3.33Å; S1809-I1811 PolarHBondContact O-N 3.22Å
1810	D	38.9	Very low	37.6	Very low	131.6 Å²	131.6	126.1 Å²	126.1	70%	0.704	75%	0.751	S	S	*	*			trans	-58.7	36	179.6	-62.5	-37.6	0	0	0	116.5
1811	I	40.3	Very low	37.8	Very low	167.2 Å²	167.2	130.4 Å²	130.4	86%	0.857	76%	0.76	S	S	*	*	S	Bend	trans	-114	25.9	164.5	-50.2	179.5	0	0	0	111	S1809	S1809-I1811 VanDerWaalsContact C-N 3.33Å; S1809-I1811 PolarHBondContact O-N 3.22Å
1812	E	40.4	Very low	37.9	Very low	165 Å²	165	135 Å²	135	77%	0.771	76%	0.763	S	S	*	*	S	Bend	trans	-115.8	44.4	174.1	-142.5	178.4	170.2	0	0	112.9
1813	T	43.2	Very low	38.4	Very low	112.4 Å²	112.4	135.3 Å²	135.3	69%	0.69	76%	0.764	S	S	*	*	S	Bend	trans	-135.3	71.7	171.1	30.2	0	0	0	0	113.9
1814	Q	36.2	Very low	38.4	Very low	182.4 Å²	182.4	132.2 Å²	132.2	85%	0.852	76%	0.756	S	S	*	*	S	Bend	trans	-130	34.5	164.1	-77.3	-176.5	63	0	0	117.3
1815	L	40.1	Very low	38.1	Very low	173.8 Å²	173.8	135.2 Å²	135.2	91%	0.91	76%	0.761	S	S	*	*			trans	-121.7	95.2	155.9	-72.1	178.9	0	0	0	110.1
1816	G	37.8	Very low	38.6	Very low	63.4 Å²	63.4	132.1 Å²	132.1	65%	0.654	76%	0.756	S	S	*	*			trans	-80	163.8	171.7	0	0	0	0	0	112.2	S1818	G1816-S1818 PolarHBondContact O-N 3.16Å; G1816-S1818 VanDerWaalsContact O-N 3.13Å
1817	P	43.6	Very low	38.5	Very low	104.2 Å²	104.2	131.5 Å²	131.5	68%	0.677	75%	0.754	S	S	*	*			trans	-80.6	130.9	-171.3	30.7	-32	0	0	0	111.5	T1819	P1817-T1819 PolarHBondContact O-N 3.45Å; P1817-T1819 PolarHBondContact O-OG1 3.24Å
1818	S	37.9	Very low	38.6	Very low	117.6 Å²	117.6	135.4 Å²	135.4	82%	0.822	77%	0.768	S	S	*	*			trans	-67.5	110.8	168.2	-52.8	0	0	0	0	112.8	G1816 G1820	G1816-S1818 PolarHBondContact O-N 3.16Å; G1816-S1818 VanDerWaalsContact O-N 3.13Å; S1818-G1820 VanDerWaalsContact C-N 3.26Å; S1818-G1820 PolarHBondContact O-N 3.04Å; S1818-G1820 VanDerWaalsContact O-N 3.16Å
1819	T	40	Very low	38.6	Very low	114 Å²	114	132.2 Å²	132.2	70%	0.699	76%	0.756	S	S	*	*			trans	-41.5	110.3	176.9	38.6	0	0	0	0	111.6	P1817 R2778	P1817-T1819 PolarHBondContact O-N 3.45Å; P1817-T1819 PolarHBondContact O-OG1 3.24Å; T1819-R2778 PolarHBondContact OG1-NH1 3.11Å
1820	G	33.3	Very low	38.6	Very low	65.6 Å²	65.6	135.8 Å²	135.8	68%	0.676	77%	0.769	S	S	*	*			trans	71	96.9	146.2	0	0	0	0	0	113.9	S1818 E1822	S1818-G1820 VanDerWaalsContact C-N 3.26Å; S1818-G1820 PolarHBondContact O-N 3.04Å; S1818-G1820 VanDerWaalsContact O-N 3.16Å; G1820-E1822 PolarHBondContact O-N 3.36Å
1821	F	36.7	Very low	38.5	Very low	204.6 Å²	204.6	136.8 Å²	136.8	90%	0.897	78%	0.775	S	S	*	*			trans	-119.3	112.5	158.1	-90.7	-81.4	0	0	0	108.4	L1823	F1821-L1823 PolarHBondContact O-N 2.88Å
1822	E	36.3	Very low	38.3	Very low	165.6 Å²	165.6	132.6 Å²	132.6	77%	0.774	76%	0.76	S	S	*	*			trans	-71.7	138.2	167.4	-70.9	175	87.2	0	0	109.8	G1820 S1824	G1820-E1822 PolarHBondContact O-N 3.36Å; E1822-S1824 PolarHBondContact O-N 2.8Å
1823	L	40.9	Very low	38.5	Very low	164 Å²	164	129.5 Å²	129.5	86%	0.859	76%	0.755	S	S	*	*			trans	-132.8	100.1	141	-80.7	-178.9	0	0	0	109.7	F1821 E1825	F1821-L1823 PolarHBondContact O-N 2.88Å; L1823-E1825 PolarHBondContact O-N 2.86Å
1824	S	36.6	Very low	38.2	Very low	100.6 Å²	100.6	132.1 Å²	132.1	70%	0.703	76%	0.756	S	S	*	*			trans	11	114.6	152.1	-35.2	0	0	0	0	116	E1822	E1822-S1824 PolarHBondContact O-N 2.8Å
1825	E	34.9	Very low	38.2	Very low	166.2 Å²	166.2	127.4 Å²	127.4	78%	0.777	74%	0.743	S	S	*	*			trans	-58.1	144.5	155.7	-68.3	-157.2	139	0	0	112	L1823 N1827	L1823-E1825 PolarHBondContact O-N 2.86Å; E1825-N1827 VanDerWaalsContact C-N 3.26Å; E1825-N1827 PolarHBondContact O-N 3.1Å; E1825-N1827 PolarHBondContact OE2-N 2.83Å
1826	P	45.2	Very low	38	Very low	116.6 Å²	116.6	125.8 Å²	125.8	76%	0.757	73%	0.734	S	S	*	*			trans	-101.2	119	147.1	33.6	-25.8	0	0	0	112	L1828	P1826-L1828 HydrophobicContact CB-CD1 4.4Å; P1826-L1828 PolarHBondContact O-N 3.06Å
1827	N	33.8	Very low	37.9	Very low	139.8 Å²	139.8	129.9 Å²	129.9	75%	0.748	74%	0.74	S	S	*	*			trans	-58.9	131.8	160	-97.4	-86.7	0	0	0	112.9	E1825 A1829	E1825-N1827 VanDerWaalsContact C-N 3.26Å; E1825-N1827 PolarHBondContact O-N 3.1Å; E1825-N1827 PolarHBondContact OE2-N 2.83Å; N1827-A1829 PolarHBondContact O-N 3.48Å; N1827-A1829 VanDerWaalsContact O-N 3.1Å
1828	L	39	Very low	37.7	Very low	165.2 Å²	165.2	129.9 Å²	129.9	87%	0.865	74%	0.74	S	S	*	*			trans	-163.7	113	148.1	-81.8	158.5	0	0	0	112	P1826	P1826-L1828 HydrophobicContact CB-CD1 4.4Å; P1826-L1828 PolarHBondContact O-N 3.06Å
1829	A	37.2	Very low	37.4	Very low	77.8 Å²	77.8	131.7 Å²	131.7	64%	0.643	74%	0.74	S	S	*	*			trans	-136.3	138.3	147.3	0	0	0	0	0	111.6	N1827	N1827-A1829 PolarHBondContact O-N 3.48Å; N1827-A1829 VanDerWaalsContact O-N 3.1Å
1830	D	37.1	Very low	37.2	Very low	153.6 Å²	153.6	130.8 Å²	130.8	82%	0.821	75%	0.745	S	S	*	*			trans	54.9	138.6	155.1	-80.2	-25.2	0	0	0	119.1
1831	D	38.2	Very low	37.1	Very low	152.6 Å²	152.6	133.2 Å²	133.2	82%	0.816	75%	0.746	S	S	*	*				-158.4	146.7	95.5	-138.3	-28.1	0	0	0	114.7
1832	S	35.6	Very low	37.1	Very low	79 Å²	79	132.5 Å²	132.5	55%	0.552	74%	0.743	S	S	*	*			trans	-123.6	129.6	168.2	-173.8	0	0	0	0	117.2	K1834	S1832-K1834 VanDerWaalsContact O-CD 3.3Å; S1832-K1834 WeakPolarHBondContact O-CD 3.41Å; S1832-K1834 WeakPolarHBondContact O-CE 3.43Å; S1832-K1834 PolarHBondContact O-N 2.78Å; S1832-K1834 PolarHBondContact O-NZ 2.78Å
1833	P	45.4	Very low	36.9	Very low	100.6 Å²	100.6	129 Å²	129	65%	0.653	74%	0.737	S	S	*	*			trans	-99.5	147.6	162.6	28.1	-21.6	0	0	0	115.9	S1835	P1833-S1835 PolarHBondContact O-N 3.22Å; P1833-S1835 VanDerWaalsContact O-N 3.08Å
1834	K	37.2	Very low	36.6	Very low	166.8 Å²	166.8	127.1 Å²	127.1	73%	0.725	73%	0.727	S	S	*	*			trans	-96.9	141.9	173.7	-77.7	153.9	178.1	169.1	0	115.7	S1832	S1832-K1834 VanDerWaalsContact O-CD 3.3Å; S1832-K1834 WeakPolarHBondContact O-CD 3.41Å; S1832-K1834 WeakPolarHBondContact O-CE 3.43Å; S1832-K1834 PolarHBondContact O-N 2.78Å; S1832-K1834 PolarHBondContact O-NZ 2.78Å
1835	S	35.1	Very low	36.6	Very low	82.8 Å²	82.8	129.2 Å²	129.2	58%	0.579	73%	0.726	S	S	*	*			trans	-136.5	136.7	162	57.7	0	0	0	0	114.7	P1833 I1837	P1833-S1835 PolarHBondContact O-N 3.22Å; P1833-S1835 VanDerWaalsContact O-N 3.08Å; S1835-I1837 WeakPolarHBondContact OG-CD1 3.24Å
1836	I	35.1	Very low	36.7	Very low	141.2 Å²	141.2	128.4 Å²	128.4	72%	0.724	73%	0.726	S	S	*	*				101	119.5	127.7	-77	160.9	0	0	0	112.7
1837	I	36.6	Very low	36.1	Very low	149 Å²	149	127.8 Å²	127.8	76%	0.764	72%	0.724	S	S	*	*				176.5	138.2	100.5	-58.5	171.2	0	0	0	110.7	S1835	S1835-I1837 WeakPolarHBondContact OG-CD1 3.24Å
1838	P	38.4	Very low	36.1	Very low	104.6 Å²	104.6	126.8 Å²	126.8	68%	0.679	72%	0.724	S	S	*	*			trans	-130	171.6	-166.9	40.9	-27.2	0	0	0	115.9
1839	N	31.8	Very low	35.9	Very low	154.8 Å²	154.8	125 Å²	125	83%	0.828	72%	0.72	S	S	*	*			trans	26.7	133.1	153.7	-64.4	-9	0	0	0	119.8
1840	A	35.9	Very low	36.2	Very low	96.2 Å²	96.2	126.4 Å²	126.4	80%	0.795	72%	0.723	S	S	*	*				-152.9	131.4	124.3	0	0	0	0	0	109.7
1841	V	32.1	Very low	36.5	Very low	116.4 Å²	116.4	124.7 Å²	124.7	71%	0.705	72%	0.72	S	S	*	*				34.7	125.4	126.5	179.9	0	0	0	0	113
1842	F	35.8	Very low	36.8	Very low	189.8 Å²	189.8	123.2 Å²	123.2	83%	0.832	72%	0.718	S	S	*	*			trans	146.7	130.5	151.8	-77.7	-68.1	0	0	0	112.8
1843	S	33.5	Very low	36.8	Very low	91.8 Å²	91.8	123.7 Å²	123.7	64%	0.642	72%	0.722	S	S	*	*				-142.9	149.2	105.5	-65.4	0	0	0	0	113	E1642	E1642-S1843 PolarHBondContact O-OG 3.3Å; E1642-S1843 VanDerWaalsContact O-OG 3.1Å
1844	N	34.3	Very low	36.4	Very low	124.4 Å²	124.4	126.3 Å²	126.3	67%	0.665	73%	0.725	S	S	*	*			trans	139.9	136.8	135.2	-89.3	30.9	0	0	0	115.5	S1641 P1643	S1641-N1844 PolarHBondContact O-ND2 2.89Å; P1643-N1844 WeakPolarHBondContact CD-O 3.41Å
1845	E	35.8	Very low	36.3	Very low	143.8 Å²	143.8	125 Å²	125	67%	0.672	73%	0.725	S	S	*	*				89.7	133.6	116.8	-59.9	-84.7	132.6	0	0	118.4	P1643	P1643-E1845 WeakPolarHBondContact CD-OE1 3.39Å; P1643-E1845 HydrophobicContact CG-CG 4.36Å; P1643-E1845 WeakPolarHBondContact O-CG 3.38Å
1846	L	37.3	Very low	36.3	Very low	150.2 Å²	150.2	125.5 Å²	125.5	79%	0.786	73%	0.728	S	S	*	*				97.4	129.2	108.7	-147.3	69.2	0	0	0	116.7	T1848	L1846-T1848 HydrophobicContact CD1-CG2 4.36Å; L1846-T1848 HydrophobicContact CD2-CG2 3.62Å; L1846-T1848 WeakPolarHBondContact CD2-OG1 3.26Å; L1846-T1848 HydrophobicContact CG-CG2 3.77Å
1847	S	32.6	Very low	36.5	Very low	102.4 Å²	102.4	125.6 Å²	125.6	72%	0.716	73%	0.729	S	S	*	*			trans	-150	136.1	140.6	-148.9	0	0	0	0	112.6	T1849	S1847-T1849 PolarHBondContact O-N 3.16Å
1848	T	34.3	Very low	36.5	Very low	119.8 Å²	119.8	125.8 Å²	125.8	74%	0.735	73%	0.726	S	S	*	*			trans	-132.5	123.3	145.4	22.6	0	0	0	0	113.7	L1846	L1846-T1848 HydrophobicContact CD1-CG2 4.36Å; L1846-T1848 HydrophobicContact CD2-CG2 3.62Å; L1846-T1848 WeakPolarHBondContact CD2-OG1 3.26Å; L1846-T1848 HydrophobicContact CG-CG2 3.77Å
1849	T	35.7	Very low	36.4	Very low	127 Å²	127	131.3 Å²	131.3	78%	0.779	73%	0.734	S	S	*	*				-174.9	132.3	129.2	23.5	0	0	0	0	116.8	S1847	S1847-T1849 PolarHBondContact O-N 3.16Å
1850	P	42.2	Very low	36.5	Very low	108.2 Å²	108.2	132.2 Å²	132.2	70%	0.703	74%	0.735	S	S	*	*			trans	-93.3	164.1	168.1	36.8	-33.5	0	0	0	113	P1852	P1850-P1852 WeakPolarHBondContact O-CD 3.39Å
1851	P	42.9	Very low	36.6	Very low	116.8 Å²	116.8	131.8 Å²	131.8	76%	0.758	73%	0.732	S	S	*	*				-96.2	178.1	128.5	32.6	-26.6	0	0	0	112.5	S1853	P1851-S1853 PolarHBondContact O-N 3.45Å
1852	P	44.5	Very low	36.9	Very low	120.8 Å²	120.8	133.9 Å²	133.9	78%	0.784	73%	0.734	S	S	*	*			trans	-100.7	163.6	162.7	34.4	-31.6	0	0	0	115.4	P1850	P1850-P1852 WeakPolarHBondContact O-CD 3.39Å
1853	S	36	Very low	36.9	Very low	89.8 Å²	89.8	132.4 Å²	132.4	63%	0.628	73%	0.729	S	S	*	*			trans	-78.5	139.2	165.4	-50.4	0	0	0	0	115.6	P1851 N2630 R2631 Q2632	P1851-S1853 PolarHBondContact O-N 3.45Å; S1853-N2630 WeakPolarHBondContact CB-OD1 3.39Å; S1853-N2630 PolarHBondContact OG-OD1 2.9Å; S1853-R2631 VanDerWaalsContact CB-N 3.25Å; S1853-R2631 WeakPolarHBondContact O-CA 3.49Å; S1853-Q2632 PolarHBondContact O-N 2.96Å; S1853-Q2632 VanDerWaalsContact O-N 3.15Å
1854	E	36.6	Very low	37	Very low	156.4 Å²	156.4	137.3 Å²	137.3	73%	0.731	73%	0.734	S	S	*	*				-160.2	147.6	92.5	-119.5	-169.5	113.4	0	0	108.9	N2630 R2631	E1854-N2630 WeakPolarHBondContact CB-OD1 3.48Å; E1854-N2630 PolarHBondContact OE2-ND2 2.76Å; E1854-N2630 PolarHBondContact OE2-OD1 2.71Å; E1854-N2630 VanDerWaalsContact OE2-OD1 3.13Å; E1854-R2631 HydrophobicContact CB-CB 4.48Å; E1854-R2631 HydrophobicContact CB-CG 4.31Å; E1854-R2631 IonicContact OE1-CZ 3.18Å; E1854-R2631 IonicContact OE1-NE 2.77Å; E1854-R2631 PolarHBondContact OE1-NE 3.41Å; E1854-R2631 IonicContact OE1-NH2 2.75Å; E1854-R2631 PolarHBondContact OE1-NH2 3.42Å; E1854-R2631 IonicContact OE2-CZ 3.97Å; E1854-R2631 IonicContact OE2-NH2 3.09Å; E1854-R2631 PolarHBondContact OE2-NH2 3.06Å; E1854-R2631 VanDerWaalsContact OE2-NH2 3.09Å
1855	I	36.2	Very low	37	Very low	138 Å²	138	138.7 Å²	138.7	71%	0.708	74%	0.736	S	S	*	*				89.3	129.7	107.5	-74.4	172.6	0	0	0	113.4
1856	S	35.6	Very low	36.9	Very low	93.6 Å²	93.6	138.2 Å²	138.2	66%	0.655	74%	0.738	S	S	*	*			cis	-153.4	157	-5.4	-114.9	0	0	0	0	112
1857	I	38	Very low	36.8	Very low	143.2 Å²	143.2	136.2 Å²	136.2	73%	0.734	73%	0.732	S	S	*	*			trans	77.2	131.2	134.8	-53.3	173.3	0	0	0	114.9
1858	Q	38	Very low	36.9	Very low	153.4 Å²	153.4	137.1 Å²	137.1	72%	0.717	73%	0.733	S	S	*	*			cis	172.4	117.9	24.6	-158	150.1	62.8	0	0	113.3
1859	R	35.3	Very low	37	Very low	220.4 Å²	220.4	139.6 Å²	139.6	83%	0.832	74%	0.736	S	S	*	*			trans	-171.6	125	146.3	-85.4	-174	-133.6	-174.9	-1.2	115.5
1860	M	34.3	Very low	37	Very low	173.8 Å²	173.8	138.6 Å²	138.6	86%	0.856	73%	0.732	S	S	*	*				164.5	142.1	118.6	-85	-173.9	-64.9	0	0	116.6
1861	A	37.2	Very low	36.5	Very low	88 Å²	88	140.1 Å²	140.1	73%	0.727	73%	0.734	S	S	*	*			trans	-133.8	158.6	131.8	0	0	0	0	0	113.6
1862	Q	38.4	Very low	36.4	Very low	160.6 Å²	160.6	139.4 Å²	139.4	75%	0.75	73%	0.729	S	S	*	*			trans	-120.5	144.8	158.2	-86.7	-178.8	27.9	0	0	113.1	K1268 G1269 G1270	K1268-Q1862 VanDerWaalsContact O-CG 3.28Å; K1268-Q1862 WeakPolarHBondContact O-CG 3.45Å; K1268-Q1862 PolarHBondContact O-NE2 2.75Å; G1269-Q1862 CarbonylContact O-C 3.5Å; G1269-Q1862 WeakPolarHBondContact O-CA 2.93Å; G1269-Q1862 WeakPolarHBondContact O-CG 3.23Å; G1270-Q1862 CarbonylContact O-C 2.88Å; G1270-Q1862 WeakPolarHBondContact O-CA 3.28Å
1863	Q	36.9	Very low	35.9	Very low	157 Å²	157	140 Å²	140	73%	0.734	73%	0.726	S	S	*	*				-176.6	138.1	96.5	-113.2	-174.7	26.5	0	0	114.2	G1269 G1270 L1271	G1269-Q1863 CarbonylContact C-O 3.47Å; G1269-Q1863 CarbonylContact O-C 3.4Å; G1269-Q1863 VanDerWaalsContact O-CA 3.3Å; G1269-Q1863 WeakPolarHBondContact O-CA 3.29Å; G1269-Q1863 PolarHBondContact O-N 2.56Å; G1270-Q1863 WeakPolarHBondContact CA-O 3.36Å; G1270-Q1863 PolarHBondContact O-N 3Å; G1270-Q1863 VanDerWaalsContact O-N 3.16Å; L1271-Q1863 HydrophobicContact CD1-CB 3.75Å; L1271-Q1863 VanDerWaalsContact CG-C 3.42Å; L1271-Q1863 HydrophobicContact CG-CB 4.11Å
1864	R	35	Very low	35.8	Very low	195.4 Å²	195.4	140.6 Å²	140.6	74%	0.737	73%	0.73	S	S	*	*			trans	28.5	143.3	160.9	-65	179.3	157.1	-143.8	0.3	116.6	L1271	L1271-R1864 WeakPolarHBondContact CD1-O 3.39Å
1865	Q	34.7	Very low	35.7	Very low	153.6 Å²	153.6	139.5 Å²	139.5	72%	0.718	73%	0.734	S	S	*	*				109.9	142.2	82.8	-81.8	174.9	-11.6	0	0	113.3
1866	N	33.7	Very low	35.6	Very low	132.8 Å²	132.8	142.7 Å²	142.7	71%	0.71	74%	0.737	S	S	*	*			cis	153.6	137.7	40.6	-109.4	1.1	0	0	0	113.7
1867	V	34.5	Very low	35.5	Very low	110.2 Å²	110.2	145.9 Å²	145.9	67%	0.668	74%	0.741	S	S	*	*			trans	112.1	116.3	137.6	166.4	0	0	0	0	114.8
1868	V	34.5	Very low	35.3	Very low	121.2 Å²	121.2	143.5 Å²	143.5	74%	0.735	74%	0.737	S	S	*	*				107.3	133.8	125.9	172.4	0	0	0	0	117.6
1869	H	35.8	Very low	35.1	Very low	170.4 Å²	170.4	146.4 Å²	146.4	79%	0.789	74%	0.743	S	S	*	*			trans	-10.8	159.1	158	-87.4	-78	0	0	0	118.2
1870	P	37.5	Very low	35.1	Very low	107.2 Å²	107.2	140.2 Å²	140.2	70%	0.696	73%	0.734	S	S	*	*			trans	-128.7	-174.9	-136.9	39.7	-25.5	0	0	0	114.9
1871	N	31.6	Very low	35.2	Very low	138.8 Å²	138.8	139.9 Å²	139.9	74%	0.742	73%	0.73	S	S	*	*			trans	54.3	152.4	158	-139.5	29	0	0	0	114.5	D1873	N1871-D1873 PolarHBondContact ND2-OD2 2.92Å
1872	P	40.3	Very low	35.1	Very low	102 Å²	102	146.6 Å²	146.6	66%	0.662	74%	0.737	S	S	*	*				-131.7	-179.7	100.1	42.1	-26.6	0	0	0	115.5
1873	D	33.6	Very low	35.2	Very low	134.8 Å²	134.8	144.3 Å²	144.3	72%	0.721	74%	0.736	S	S	*	*			trans	-31.8	146.7	154.1	-79.1	-75.6	0	0	0	118.5	N1871	N1871-D1873 PolarHBondContact ND2-OD2 2.92Å
1874	S	34.6	Very low	35	Very low	101.6 Å²	101.6	142.3 Å²	142.3	71%	0.71	73%	0.734	S	S	*	*			trans	78.8	124.9	143	-70.8	0	0	0	0	119.3	V1912	S1874-V1912 WeakPolarHBondContact OG-CB 3.37Å; S1874-V1912 WeakPolarHBondContact OG-CG1 3.48Å
1875	V	34.7	Very low	35	Very low	132.6 Å²	132.6	139.1 Å²	139.1	80%	0.804	73%	0.732	S	S	*	*			trans	-170.4	129.4	140.8	176.5	0	0	0	0	112.7
1876	R	32.4	Very low	35	Very low	206.6 Å²	206.6	140 Å²	140	78%	0.78	74%	0.735	S	S	*	*			trans	111.2	115	133.6	-150	170.5	160.8	-148.4	0.2	117.3
1877	Q	34.5	Very low	34.8	Very low	159.8 Å²	159.8	139.2 Å²	139.2	75%	0.747	74%	0.739	S	S	*	*			trans	72.9	126.4	130.9	-66.1	175.6	-11.2	0	0	117.1
1878	S	34.3	Very low	34.7	Very low	92.6 Å²	92.6	144.4 Å²	144.4	65%	0.648	75%	0.747	S	S	*	*				166.1	154.2	88.9	-60.3	0	0	0	0	116.6
1879	Y	33.6	Very low	34.6	Very low	215.2 Å²	215.2	144.9 Å²	144.9	84%	0.844	74%	0.741	S	S	*	*			trans	117.8	135.4	144.4	-87.3	-76.9	0	0	0	117.5	Q1881	Y1879-Q1881 PolarHBondContact O-N 2.88Å
1880	S	35.6	Very low	34.5	Very low	90.6 Å²	90.6	146.3 Å²	146.3	63%	0.634	74%	0.741	S	S	*	*				89.9	119.8	104.6	-135.5	0	0	0	0	118.2
1881	Q	36.1	Very low	34.2	Very low	167.8 Å²	167.8	149.2 Å²	149.2	78%	0.784	75%	0.745	S	S	*	*				112	137.4	113.8	-81.8	175.8	66.8	0	0	117.6	Y1879	Y1879-Q1881 PolarHBondContact O-N 2.88Å
1882	R	34.9	Very low	34.6	Very low	227.4 Å²	227.4	147.9 Å²	147.9	86%	0.858	74%	0.744	S	S	*	*			trans	-96.9	166.5	141.5	-65.4	-175.8	178.8	-166.7	1	112.4
1883	P	40.4	Very low	34.2	Very low	113 Å²	113	147.1 Å²	147.1	73%	0.734	74%	0.741	S	S	*	*			cis	-128.7	161.3	30.6	31.3	-14.4	0	0	0	113.6
1884	V	32.4	Very low	34.1	Very low	114.8 Å²	114.8	147.4 Å²	147.4	70%	0.696	74%	0.743	S	S	*	*				55	126.9	98.2	-112	0	0	0	0	115.9
1885	D	35	Very low	34	Very low	128.6 Å²	128.6	150.4 Å²	150.4	69%	0.688	75%	0.745	S	S	*	*				142.7	149.1	107.6	-81.4	-41.9	0	0	0	115.2
1886	H	35	Very low	33.9	Very low	172 Å²	172	149 Å²	149	80%	0.796	74%	0.741	S	S	*	*				112.8	134.1	126.8	-77.4	81.3	0	0	0	117.8
1887	C	29.8	Very low	33.9	Very low	116.8 Å²	116.8	146.1 Å²	146.1	79%	0.789	74%	0.74	S	S	*	*			trans	-106.3	151.1	158.6	-63.5	0	0	0	0	112.8
1888	R	33.2	Very low	33.8	Very low	219.2 Å²	219.2	145.1 Å²	145.1	83%	0.827	74%	0.739	S	S	*	*				161.7	126.3	107.5	-120.7	-171.1	149.2	150.1	1.2	111.8
1889	E	31.4	Very low	33.8	Very low	131 Å²	131	146.4 Å²	146.4	61%	0.612	74%	0.743	S	S	*	*				99.5	138.4	98.9	-153.7	173.5	-174.3	0	0	116.2
1890	Y	32.9	Very low	33.8	Very low	200.4 Å²	200.4	143.3 Å²	143.3	79%	0.786	74%	0.736	S	S	*	*			trans	94.1	121.1	154.2	-77.1	-89.9	0	0	0	118.7
1891	Q	32.9	Very low	33.7	Very low	167.8 Å²	167.8	146.1 Å²	146.1	78%	0.784	74%	0.74	S	S	*	*			trans	-41.5	157.5	133.7	-142.2	-160.2	21.7	0	0	112.4
1892	P	39.4	Very low	33.6	Very low	111 Å²	111	144.6 Å²	144.6	72%	0.721	73%	0.732	S	S	*	*				-141.5	174.3	87	39.1	-21.6	0	0	0	115.4
1893	S	31.6	Very low	33.4	Very low	85.2 Å²	85.2	140.8 Å²	140.8	60%	0.596	72%	0.724	S	S	*	*			trans	49.8	137.2	153.3	61.8	0	0	0	0	118.1
1894	N	32.1	Very low	33	Very low	142 Å²	142	141.9 Å²	141.9	76%	0.759	72%	0.723	S	S	*	*				106.8	140.9	118.9	-84.2	-56.4	0	0	0	117.7
1895	Q	32.6	Very low	33.3	Very low	164.6 Å²	164.6	141.7 Å²	141.7	77%	0.769	72%	0.723	S	S	*	*			trans	162.1	138.5	136.6	-81.8	172.5	65.5	0	0	116
1896	S	31.8	Very low	33.2	Very low	102.4 Å²	102.4	146.2 Å²	146.2	72%	0.716	73%	0.731	S	S	*	*			trans	-108.2	135.5	140.3	13.2	0	0	0	0	115.7
1897	I	33.1	Very low	33.1	Very low	145 Å²	145	143.2 Å²	143.2	74%	0.744	73%	0.729	S	S	*	*				170.9	138.7	129.6	-79.6	160.9	0	0	0	113.2
1898	N	31	Very low	33.3	Very low	139.2 Å²	139.2	142.2 Å²	142.2	74%	0.744	72%	0.724	S	S	*	*			trans	69.9	135.5	145.6	-92.9	-39.6	0	0	0	115.9
1899	V	34.9	Very low	33.3	Very low	119.4 Å²	119.4	139.4 Å²	139.4	72%	0.724	72%	0.724	S	S	*	*			cis	58.7	123.8	49.2	-164.3	0	0	0	0	112.4
1900	Q	34.5	Very low	33.5	Very low	150.6 Å²	150.6	139.2 Å²	139.2	70%	0.704	73%	0.732	S	S	*	*			trans	-119.8	135.8	135.4	-150.6	64.1	20.9	0	0	110.9
1901	Q	33.1	Very low	33.5	Very low	150.2 Å²	150.2	134.9 Å²	134.9	70%	0.702	73%	0.726	S	S	*	*				-113.1	145.7	97	-164.9	-179.4	39.2	0	0	112.5
1902	H	32.8	Very low	33.7	Very low	135.2 Å²	135.2	132.5 Å²	132.5	63%	0.626	72%	0.723	S	S	*	*			trans	130.2	147.6	158.1	-74.5	-15.4	0	0	0	115
1903	Q	31.2	Very low	33.7	Very low	148.8 Å²	148.8	132.5 Å²	132.5	70%	0.695	72%	0.723	S	S	*	*			cis	105.1	125	46.2	-94.7	-178.9	43.9	0	0	112.1
1904	I	32.8	Very low	34	Very low	136.4 Å²	136.4	135.4 Å²	135.4	70%	0.699	73%	0.731	S	S	*	*				73.7	138.8	105.8	-69.5	169.6	0	0	0	114
1905	P	37.8	Very low	34.5	Very low	109.4 Å²	109.4	134.2 Å²	134.2	71%	0.71	73%	0.73	S	S	*	*			trans	-115.8	174.7	178.5	40	-29.4	0	0	0	115.6
1906	R	33.7	Very low	34.7	Very low	223.8 Å²	223.8	134.8 Å²	134.8	85%	0.845	73%	0.733	S	S	*	*			trans	178	135.9	153.6	-78	164.7	170.1	128.1	-0.9	112.8
1907	S	32.7	Very low	35	Very low	107.8 Å²	107.8	135.1 Å²	135.1	75%	0.754	74%	0.735	S	S	*	*				154.3	138	88.1	2.4	0	0	0	0	110.5
1908	S	33.5	Very low	35.2	Very low	97.6 Å²	97.6	136.8 Å²	136.8	68%	0.683	74%	0.74	S	S	*	*			cis	119.9	123.9	28.2	-7.3	0	0	0	0	114.3
1909	L	32.9	Very low	35.4	Very low	158.6 Å²	158.6	136 Å²	136	83%	0.83	74%	0.74	S	S	*	*				55.9	154.2	119.1	-65	150.7	0	0	0	116.7
1910	V	35.8	Very low	35.4	Very low	128 Å²	128	141.6 Å²	141.6	78%	0.776	75%	0.748	S	S	*	*			cis	-166.9	134.9	38.5	168.9	0	0	0	0	108.4
1911	T	34.3	Very low	35.5	Very low	109.8 Å²	109.8	139.6 Å²	139.6	67%	0.674	75%	0.748	S	S	*	*			cis	98.2	116.9	47.4	-60	0	0	0	0	115.5
1912	V	36.2	Very low	35.4	Very low	116.8 Å²	116.8	140 Å²	140	71%	0.708	75%	0.752	S	S	*	*			trans	108.6	139	133.9	160.9	0	0	0	0	113.9	S1874 I1914	S1874-V1912 WeakPolarHBondContact OG-CB 3.37Å; S1874-V1912 WeakPolarHBondContact OG-CG1 3.48Å; V1912-I1914 HydrophobicContact CG1-CD1 4.13Å; V1912-I1914 HydrophobicContact CG1-CG1 4.45Å
1913	P	39.2	Very low	35.4	Very low	112.4 Å²	112.4	140.8 Å²	140.8	73%	0.73	76%	0.756	S	S	*	*				-124.7	172.4	73.7	36.4	-22.7	0	0	0	117.2
1914	I	38.9	Very low	35.4	Very low	146.4 Å²	146.4	141.3 Å²	141.3	75%	0.751	76%	0.758	S	S	*	*			trans	-80.2	138.5	154.7	-59.8	167.7	0	0	0	112.5	V1912 Q1916	V1912-I1914 HydrophobicContact CG1-CD1 4.13Å; V1912-I1914 HydrophobicContact CG1-CG1 4.45Å; I1914-Q1916 HydrophobicContact CG2-CG 4.38Å
1915	P	41.9	Very low	35.4	Very low	115.4 Å²	115.4	143.1 Å²	143.1	75%	0.749	76%	0.764	S	S	*	*				-118.8	138.8	119.7	30	-16.2	0	0	0	113.7
1916	Q	36.4	Very low	35	Very low	177.8 Å²	177.8	145.2 Å²	145.2	83%	0.831	76%	0.764	S	S	*	*				-156	137.4	119.6	-76.4	-180	-16.1	0	0	113.2	I1914	I1914-Q1916 HydrophobicContact CG2-CG 4.38Å
1917	S	39.2	Very low	34.9	Very low	108.4 Å²	108.4	141.4 Å²	141.4	76%	0.758	76%	0.758	S	S	*	*			trans	-173.9	138.3	134.8	45.9	0	0	0	0	113
1918	Q	35.7	Very low	34.8	Very low	181.4 Å²	181.4	142.3 Å²	142.3	85%	0.848	76%	0.755	S	S	*	*				104.2	139.9	67.3	-83.8	-165	23.5	0	0	115
1919	V	36.2	Very low	35.1	Very low	121.8 Å²	121.8	143.2 Å²	143.2	74%	0.738	76%	0.758	S	S	*	*			trans	109.2	133.3	136	168.2	0	0	0	0	114.8
1920	R	34.8	Very low	35.2	Very low	236 Å²	236	143.8 Å²	143.8	89%	0.891	76%	0.757	S	S	*	*			trans	173.5	154.1	164.1	-109.3	179.7	-152.5	-177.3	2.2	112.8
1921	P	36.4	Very low	35.1	Very low	109 Å²	109	143.7 Å²	143.7	71%	0.708	76%	0.762	S	S	*	*			trans	-122.8	165.7	175.3	35.9	-22.5	0	0	0	114.5
1922	M	31.3	Very low	35.2	Very low	158.6 Å²	158.6	141.9 Å²	141.9	78%	0.781	77%	0.766	S	S	*	*			trans	-171.8	149.6	144	-89.8	-81.3	-70.1	0	0	112.6	Q1924	M1922-Q1924 HydrophobicContact CE-CB 4.19Å
1923	Q	32.1	Very low	35	Very low	151.6 Å²	151.6	147.3 Å²	147.3	71%	0.708	77%	0.773	S	S	*	*			trans	5.3	137.2	162.5	-78.7	171.2	25.7	0	0	115.8
1924	Q	32.4	Very low	34.8	Very low	160.4 Å²	160.4	148 Å²	148	75%	0.75	78%	0.775	S	S	*	*				94	132.5	105.2	-151.4	108.6	49.5	0	0	112.3	M1922	M1922-Q1924 HydrophobicContact CE-CB 4.19Å
1925	Q	32.1	Very low	34.6	Very low	174.8 Å²	174.8	147.7 Å²	147.7	82%	0.817	77%	0.771	S	S	*	*				-138.2	160	120.2	-88.8	-172.1	2.3	0	0	112.1	I1927	Q1925-I1927 PolarHBondContact O-N 3.31Å
1926	H	29.7	Very low	34.5	Very low	153.6 Å²	153.6	149.6 Å²	149.6	71%	0.711	77%	0.773	S	S	*	*			trans	-83.1	126.6	177.6	-170.5	-90.5	0	0	0	113.6	D1928	H1926-D1928 IonicContact CE1-OD2 2.72Å; H1926-D1928 PolarHBondContact CE1-OD2 3.06Å
1927	I	30.8	Very low	34.3	Very low	142.6 Å²	142.6	150.9 Å²	150.9	73%	0.731	77%	0.77	S	S	*	*			trans	163.9	133.2	144.3	-74	167.3	0	0	0	110.8	Q1925 Q1930	Q1925-I1927 PolarHBondContact O-N 3.31Å; I1927-Q1930 VanDerWaalsContact CG2-NE2 3.29Å
1928	D	30.5	Very low	34	Very low	126.4 Å²	126.4	151.2 Å²	151.2	68%	0.676	77%	0.772	S	S	*	*			trans	-99.4	145.1	175.3	-115.8	-46.1	0	0	0	114.7	H1926 Q1930	H1926-D1928 IonicContact CE1-OD2 2.72Å; H1926-D1928 PolarHBondContact CE1-OD2 3.06Å; D1928-Q1930 VanDerWaalsContact C-N 3.27Å; D1928-Q1930 PolarHBondContact O-N 3.15Å; D1928-Q1930 PolarHBondContact OD1-NE2 3.37Å; D1928-Q1930 PolarHBondContact OD2-NE2 3.18Å
1929	P	41.5	Very low	34.3	Very low	116.4 Å²	116.4	148 Å²	148	76%	0.756	77%	0.77	S	S	*	*			trans	-104.4	116.5	-178.8	30.6	-19.8	0	0	0	113.1
1930	Q	34.9	Very low	34.3	Very low	172 Å²	172	150.8 Å²	150.8	80%	0.804	78%	0.775	S	S	*	*			trans	-126.8	146.5	146.9	-73.4	-166.3	10.8	0	0	113.6	I1927 D1928	I1927-Q1930 VanDerWaalsContact CG2-NE2 3.29Å; D1928-Q1930 VanDerWaalsContact C-N 3.27Å; D1928-Q1930 PolarHBondContact O-N 3.15Å; D1928-Q1930 PolarHBondContact OD1-NE2 3.37Å; D1928-Q1930 PolarHBondContact OD2-NE2 3.18Å
1931	S	33	Very low	34.7	Very low	126 Å²	126	144.8 Å²	144.8	88%	0.881	77%	0.766	S	S	*	*			trans	68.9	116.3	165.2	-160.6	0	0	0	0	117.2
1932	G	36.7	Very low	34.7	Very low	73 Å²	73	144 Å²	144	75%	0.753	76%	0.763	S	S	*	*			trans	-145.5	95.4	164.8	0	0	0	0	0	112.5	V1934	G1932-V1934 PolarHBondContact O-N 2.89Å
1933	R	30.7	Very low	34.9	Very low	229 Å²	229	145.9 Å²	145.9	86%	0.864	76%	0.763	S	S	*	*			trans	-98.3	99.3	178.5	-176.5	-178.9	177.9	170.1	0.9	110.8	Q1935	R1933-Q1935 PolarHBondContact O-N 2.84Å
1934	V	35	Very low	35.1	Very low	127.2 Å²	127.2	147.4 Å²	147.4	77%	0.771	77%	0.768	S	S	*	*			trans	-90.7	123.1	170.3	-178.3	0	0	0	0	108.8	G1932 I1936	G1932-V1934 PolarHBondContact O-N 2.89Å; V1934-I1936 HydrophobicContact CG1-CD1 4.26Å; V1934-I1936 HydrophobicContact CG1-CG1 3.89Å; V1934-I1936 PolarHBondContact O-N 3.31Å
1935	Q	35.8	Very low	35.3	Very low	140.4 Å²	140.4	148.8 Å²	148.8	66%	0.656	77%	0.767	S	S	*	*			trans	-114.4	111.2	165.6	-174	168.4	-1.6	0	0	110.3	R1933 R1937	R1933-Q1935 PolarHBondContact O-N 2.84Å; Q1935-R1937 HydrophobicContact CG-CG 4.22Å; Q1935-R1937 PolarHBondContact O-N 3.43Å
1936	I	38.6	Very low	35.6	Very low	154.2 Å²	154.2	143.9 Å²	143.9	79%	0.791	76%	0.757	S	S	*	*			trans	-86.6	114.1	176.7	-58.4	175.8	0	0	0	109	V1934 S1938	V1934-I1936 HydrophobicContact CG1-CD1 4.26Å; V1934-I1936 HydrophobicContact CG1-CG1 3.89Å; V1934-I1936 PolarHBondContact O-N 3.31Å; I1936-S1938 PolarHBondContact O-N 3.39Å
1937	R	32.1	Very low	36.1	Very low	206.6 Å²	206.6	144.9 Å²	144.9	78%	0.78	76%	0.762	S	S	*	*			trans	-103.7	123.3	155.2	-74.9	-175.9	168.5	-166.7	-4.3	110.5	Q1935	Q1935-R1937 HydrophobicContact CG-CG 4.22Å; Q1935-R1937 PolarHBondContact O-N 3.43Å
1938	S	33.9	Very low	36.6	Very low	113.6 Å²	113.6	144.1 Å²	144.1	79%	0.794	76%	0.763	S	S	*	*			trans	-48.9	117.3	155	51	0	0	0	0	113.9	I1936	I1936-S1938 PolarHBondContact O-N 3.39Å
1939	S	41.3	Very low	37.2	Very low	114.8 Å²	114.8	143.7 Å²	143.7	80%	0.803	77%	0.765	S	S	*	*			trans	-129.6	130.6	141.8	53.1	0	0	0	0	111.8	P1941	S1939-P1941 VanDerWaalsContact O-CD 3.3Å; S1939-P1941 WeakPolarHBondContact O-CD 3.12Å
1940	Q	37.2	Very low	37.6	Very low	181.6 Å²	181.6	143.6 Å²	143.6	85%	0.849	76%	0.764	S	S	*	*			trans	-71.9	139.8	174.9	-72.3	-105.2	13.5	0	0	111.7	S1942	Q1940-S1942 PolarHBondContact O-N 2.96Å; Q1940-S1942 VanDerWaalsContact O-N 3.14Å
1941	P	42.2	Very low	38.2	Very low	108.2 Å²	108.2	141.6 Å²	141.6	70%	0.703	76%	0.764	S	S	*	*			trans	-104.4	121	152	29.8	-20.8	0	0	0	111.9	S1939 Y1943	S1939-P1941 VanDerWaalsContact O-CD 3.3Å; S1939-P1941 WeakPolarHBondContact O-CD 3.12Å; P1941-Y1943 VanDerWaalsContact C-N 3.33Å; P1941-Y1943 HydrophobicContact CB-CD2 3.87Å; P1941-Y1943 HydrophobicContact CB-CE2 4.14Å; P1941-Y1943 PolarHBondContact O-N 2.74Å
1942	S	36.6	Very low	38.9	Very low	93.2 Å²	93.2	141.4 Å²	141.4	65%	0.652	76%	0.759	S	S	*	*			trans	-77.7	121.4	172.3	169.2	0	0	0	0	111.1	Q1940 F1944	Q1940-S1942 PolarHBondContact O-N 2.96Å; Q1940-S1942 VanDerWaalsContact O-N 3.14Å; S1942-F1944 PolarHBondContact O-N 3.28Å; S1942-F1944 WeakPolarHBondContact OG-CD2 3.17Å; S1942-F1944 WeakPolarHBondContact OG-CE2 3.33Å
1943	Y	35.3	Very low	39	Very low	197.4 Å²	197.4	141.5 Å²	141.5	77%	0.774	76%	0.76	S	S	*	*			trans	-105.7	114	170	-85	-84.2	0	0	0	111.8	P1941 Y1945	P1941-Y1943 VanDerWaalsContact C-N 3.33Å; P1941-Y1943 HydrophobicContact CB-CD2 3.87Å; P1941-Y1943 HydrophobicContact CB-CE2 4.14Å; P1941-Y1943 PolarHBondContact O-N 2.74Å; Y1943-Y1945 VanDerWaalsContact C-N 3.34Å; Y1943-Y1945 AromaticContact CD1-CD2 3.54Å; Y1943-Y1945 HydrophobicContact CD1-CD2 3.54Å; Y1943-Y1945 VanDerWaalsContact CD1-CD2 3.46Å; Y1943-Y1945 AromaticContact CD1-CE2 3.42Å; Y1943-Y1945 HydrophobicContact CD1-CE2 3.42Å; Y1943-Y1945 HydrophobicContact CE1-CD2 4.25Å; Y1943-Y1945 AromaticContact CE1-CE2 3.65Å; Y1943-Y1945 HydrophobicContact CE1-CE2 3.65Å; Y1943-Y1945 HydrophobicContact CG-CD2 4.09Å; Y1943-Y1945 HydrophobicContact CG-CE2 4.27Å; Y1943-Y1945 PolarHBondContact O-N 3.07Å; Y1943-Y1945 VanDerWaalsContact O-N 3.1Å
1944	F	36.6	Very low	39.4	Very low	184 Å²	184	142.4 Å²	142.4	81%	0.807	76%	0.763	S	S	*	*			trans	-97.2	120	156.6	-87.4	-90.4	0	0	0	108.2	S1942 A1946	S1942-F1944 PolarHBondContact O-N 3.28Å; S1942-F1944 WeakPolarHBondContact OG-CD2 3.17Å; S1942-F1944 WeakPolarHBondContact OG-CE2 3.33Å; F1944-A1946 PolarHBondContact O-N 2.82Å
1945	Y	37.6	Very low	39.4	Very low	189.4 Å²	189.4	142.9 Å²	142.9	74%	0.743	77%	0.766	S	S	*	*			trans	-88.7	120.3	167.2	-98.9	-86.5	0	0	0	110.8	Y1943 H1947 R2238	Y1943-Y1945 VanDerWaalsContact C-N 3.34Å; Y1943-Y1945 AromaticContact CD1-CD2 3.54Å; Y1943-Y1945 HydrophobicContact CD1-CD2 3.54Å; Y1943-Y1945 VanDerWaalsContact CD1-CD2 3.46Å; Y1943-Y1945 AromaticContact CD1-CE2 3.42Å; Y1943-Y1945 HydrophobicContact CD1-CE2 3.42Å; Y1943-Y1945 HydrophobicContact CE1-CD2 4.25Å; Y1943-Y1945 AromaticContact CE1-CE2 3.65Å; Y1943-Y1945 HydrophobicContact CE1-CE2 3.65Å; Y1943-Y1945 HydrophobicContact CG-CD2 4.09Å; Y1943-Y1945 HydrophobicContact CG-CE2 4.27Å; Y1943-Y1945 PolarHBondContact O-N 3.07Å; Y1943-Y1945 VanDerWaalsContact O-N 3.1Å; Y1945-H1947 VanDerWaalsContact C-N 3.33Å; Y1945-H1947 PolarHBondContact O-N 2.81Å; Y1945-R2238 PolarHBondContact OH-NH2 3.36Å
1946	A	36.7	Very low	39.6	Very low	72.6 Å²	72.6	143.7 Å²	143.7	60%	0.6	78%	0.775	S	S	*	*			trans	-89	120	175.4	0	0	0	0	0	108.7	F1944 V1948	F1944-A1946 PolarHBondContact O-N 2.82Å; A1946-V1948 PolarHBondContact O-N 3.19Å; A1946-V1948 VanDerWaalsContact O-N 3.14Å
1947	H	41.3	Very low	39.6	Very low	175.2 Å²	175.2	142.4 Å²	142.4	81%	0.811	77%	0.774	S	S	*	*			trans	-75.5	109.7	172.3	-69.1	-83.6	0	0	0	109.9	Y1945 V1949	Y1945-H1947 VanDerWaalsContact C-N 3.33Å; Y1945-H1947 PolarHBondContact O-N 2.81Å; H1947-V1949 VanDerWaalsContact C-N 3.29Å; H1947-V1949 PolarHBondContact O-N 3.39Å
1948	V	41.1	Very low	39.6	Very low	124.2 Å²	124.2	141.2 Å²	141.2	75%	0.753	78%	0.777	S	S	*	*			trans	-86.4	113.9	168	-177.2	0	0	0	0	107.5	A1946 P1950	A1946-V1948 PolarHBondContact O-N 3.19Å; A1946-V1948 VanDerWaalsContact O-N 3.14Å; V1948-P1950 WeakPolarHBondContact O-CD 3.45Å
1949	V	44.2	Very low	40	Very low	118.6 Å²	118.6	141.6 Å²	141.6	72%	0.719	78%	0.777	S	S	*	*			trans	-78.7	123.1	176.9	179.3	0	0	0	0	109.1	H1947 V1951	H1947-V1949 VanDerWaalsContact C-N 3.29Å; H1947-V1949 PolarHBondContact O-N 3.39Å; V1949-V1951 PolarHBondContact O-N 3.02Å; V1949-V1951 VanDerWaalsContact O-N 3.07Å
1950	P	49.5	Very low	39.7	Very low	115.2 Å²	115.2	144.2 Å²	144.2	75%	0.748	78%	0.776	S	S	*	*			trans	-74.2	125.1	173.9	5.7	3.3	0	0	0	110.6	V1948 P1952	V1948-P1950 WeakPolarHBondContact O-CD 3.45Å; P1950-P1952 VanDerWaalsContact O-CD 3.24Å; P1950-P1952 WeakPolarHBondContact O-CD 3.37Å
1951	V	46	Very low	39.6	Very low	130 Å²	130	144.7 Å²	144.7	79%	0.788	78%	0.776	S	S	*	*			trans	-83.9	126.5	172.2	178.4	0	0	0	0	109.4	V1949 G1953	V1949-V1951 PolarHBondContact O-N 3.02Å; V1949-V1951 VanDerWaalsContact O-N 3.07Å; V1951-G1953 VanDerWaalsContact C-N 3.33Å; V1951-G1953 PolarHBondContact O-N 2.99Å
1952	P	48.3	Very low	39.3	Very low	121.4 Å²	121.4	147.4 Å²	147.4	79%	0.788	78%	0.779	S	S	*	*			trans	-69.4	122.1	177.2	-10.8	21.7	0	0	0	111.8	P1950 R1954	P1950-P1952 VanDerWaalsContact O-CD 3.24Å; P1950-P1952 WeakPolarHBondContact O-CD 3.37Å; P1952-R1954 PolarHBondContact O-N 2.86Å; P1952-R1954 VanDerWaalsContact O-N 3.14Å
1953	G	38.6	Very low	39.2	Very low	74.8 Å²	74.8	151.1 Å²	151.1	77%	0.771	79%	0.786	S	S	*	*			trans	-79.6	140.2	-179.1	0	0	0	0	0	113.6	V1951	V1951-G1953 VanDerWaalsContact C-N 3.33Å; V1951-G1953 PolarHBondContact O-N 2.99Å
1954	R	40.2	Very low	39.3	Very low	247.2 Å²	247.2	150.2 Å²	150.2	93%	0.933	79%	0.788	S	S	*	*			trans	-98	135.7	164.9	-75	-175.8	172.5	174.6	-1.8	111.9	P1952 L1956	P1952-R1954 PolarHBondContact O-N 2.86Å; P1952-R1954 VanDerWaalsContact O-N 3.14Å; R1954-L1956 PolarHBondContact O-N 2.83Å
1955	V	35.3	Very low	39.2	Very low	137.6 Å²	137.6	148.9 Å²	148.9	83%	0.834	79%	0.785	S	S	*	*			trans	-100.4	127.2	174.6	177.9	0	0	0	0	109.4
1956	L	38.2	Very low	39.2	Very low	158.6 Å²	158.6	147.5 Å²	147.5	83%	0.83	79%	0.789	S	S	*	*			trans	-147.4	131.9	160.3	-115.5	114.7	0	0	0	110.4	R1954 Q1958	R1954-L1956 PolarHBondContact O-N 2.83Å; L1956-Q1958 PolarHBondContact O-N 2.87Å
1957	T	39.2	Very low	39	Very low	125.6 Å²	125.6	151.3 Å²	151.3	77%	0.771	80%	0.795	S	S	*	*			trans	-50.9	135.4	170	49.4	0	0	0	0	116.7
1958	Q	33.3	Very low	38.8	Very low	181.6 Å²	181.6	152.7 Å²	152.7	85%	0.849	79%	0.793	S	S	*	*			trans	-84.9	138.1	167.5	-173.4	-169	72	0	0	112.8	L1956	L1956-Q1958 PolarHBondContact O-N 2.87Å
1959	P	40.8	Very low	38.6	Very low	121.8 Å²	121.8	153.9 Å²	153.9	79%	0.791	79%	0.79	S	S	*	*			trans	-91.1	153.9	168	34.6	-32	0	0	0	113.1	K1961	P1959-K1961 PolarHBondContact O-N 3.47Å
1960	Q	35	Very low	38.1	Very low	169.4 Å²	169.4	153.3 Å²	153.3	79%	0.792	79%	0.791	S	S	*	*			trans	-105.1	145.9	-170.2	-155.8	-169	13.9	0	0	112.5	Q1962	Q1960-Q1962 HydrophobicContact CG-CG 4.4Å
1961	K	36.5	Very low	37.5	Very low	192.4 Å²	192.4	153 Å²	153	84%	0.837	79%	0.792	S	S	*	*			trans	-138.3	139	157	-93	174.5	-179.9	176.9	0	113.7	P1959	P1959-K1961 PolarHBondContact O-N 3.47Å
1962	Q	35	Very low	36.9	Very low	165.8 Å²	165.8	152 Å²	152	78%	0.775	79%	0.791	S	S	*	*			trans	-122.3	140.8	156.6	-81	-178.2	-27.4	0	0	114.1	Q1960	Q1960-Q1962 HydrophobicContact CG-CG 4.4Å
1963	H	34.5	Very low	36.7	Very low	169.6 Å²	169.6	151.6 Å²	151.6	79%	0.785	79%	0.788	S	S	*	*			trans	-92.1	135.5	157.1	-147.9	85.8	0	0	0	113.9
1964	Q	37.4	Very low	36.6	Very low	178.4 Å²	178.4	155.2 Å²	155.2	83%	0.834	79%	0.788	S	S	*	*			trans	-132.8	130.5	156.9	-130.1	168.4	90.3	0	0	111.1	L1966	Q1964-L1966 HydrophobicContact CB-CD1 4.43Å; Q1964-L1966 HydrophobicContact CG-CD1 4.39Å
1965	Q	34.5	Very low	36.4	Very low	158.4 Å²	158.4	148.8 Å²	148.8	74%	0.74	78%	0.776	S	S	*	*			trans	-105.4	119.2	151	-175.1	-173.4	27.4	0	0	111.7
1966	L	36.9	Very low	36.5	Very low	158.2 Å²	158.2	148.8 Å²	148.8	83%	0.828	77%	0.771	S	S	*	*			trans	-146.3	133.9	156	-114.7	123.6	0	0	0	110.3	Q1964	Q1964-L1966 HydrophobicContact CB-CD1 4.43Å; Q1964-L1966 HydrophobicContact CG-CD1 4.39Å
1967	Q	33.6	Very low	36.5	Very low	154 Å²	154	149 Å²	149	72%	0.72	77%	0.767	S	S	*	*			trans	-128.4	128.7	165.4	-164.2	-173.5	67	0	0	112.6
1968	R	36.4	Very low	36.3	Very low	203.8 Å²	203.8	147.8 Å²	147.8	77%	0.769	77%	0.765	S	S	*	*			trans	179.9	139	136.2	-95.9	169.5	173.3	-106.7	3.3	112.3
1969	Q	36.4	Very low	36.8	Very low	149.8 Å²	149.8	144.8 Å²	144.8	70%	0.7	76%	0.761	S	S	*	*				61.1	125.7	124.5	-79.8	170.5	-31.7	0	0	115.1
1970	S	35	Very low	36.7	Very low	105.2 Å²	105.2	144.9 Å²	144.9	74%	0.736	76%	0.759	S	S	*	*				123.3	151.5	104.3	62.7	0	0	0	0	114.1
1971	S	36	Very low	37	Very low	109.6 Å²	109.6	141.8 Å²	141.8	77%	0.766	75%	0.754	S	S	*	*				111.2	134.7	108.8	-41.6	0	0	0	0	116.2
1972	S	33.9	Very low	37	Very low	109.6 Å²	109.6	141.3 Å²	141.3	77%	0.766	75%	0.754	S	S	*	*			trans	-95.9	-176.3	151.1	-44.9	0	0	0	0	112.9
1973	P	44.4	Very low	37.1	Very low	111.2 Å²	111.2	138.2 Å²	138.2	72%	0.722	75%	0.751	S	S	*	*			cis	-131.4	-173.9	-33.6	35.9	-18.2	0	0	0	113.3
1974	I	35.6	Very low	37.1	Very low	150.8 Å²	150.8	136.1 Å²	136.1	77%	0.773	75%	0.75	S	S	*	*			trans	112.7	120.2	138.4	-72	167.6	0	0	0	112.9
1975	V	36.4	Very low	36.8	Very low	112.4 Å²	112.4	135.1 Å²	135.1	68%	0.681	75%	0.745	S	S	*	*				179.3	142.5	60.5	166.8	0	0	0	0	113.5	Q1977	V1975-Q1977 HydrophobicContact CG1-CG 4.44Å
1976	L	38.1	Very low	36.8	Very low	139.2 Å²	139.2	135.1 Å²	135.1	73%	0.729	75%	0.745	S	S	*	*			trans	81.8	122.8	137	-77.7	164.8	0	0	0	117.8
1977	Q	37.3	Very low	36.6	Very low	161.4 Å²	161.4	135.2 Å²	135.2	75%	0.754	74%	0.741	S	S	*	*				131.7	130.5	99.4	-145.8	168.4	17.6	0	0	116	V1975	V1975-Q1977 HydrophobicContact CG1-CG 4.44Å
1978	S	36.3	Very low	36.5	Very low	101.8 Å²	101.8	134.8 Å²	134.8	71%	0.712	74%	0.743	S	S	*	*				63.4	149.5	121.3	-97.7	0	0	0	0	118.2
1979	P	42.6	Very low	36.3	Very low	118.8 Å²	118.8	130.2 Å²	130.2	77%	0.771	74%	0.743	S	S	*	*			cis	-133.6	-178.1	24.7	39.8	-21.9	0	0	0	116
1980	V	39.3	Very low	36.1	Very low	123.4 Å²	123.4	129.4 Å²	129.4	75%	0.748	75%	0.748	S	S	*	*			trans	-135.6	150.7	141.1	165.4	0	0	0	0	110.7
1981	P	41	Very low	36.1	Very low	104.4 Å²	104.4	130.7 Å²	130.7	68%	0.678	75%	0.751	S	S	*	*				-125.1	177.6	110.2	33.4	-15.7	0	0	0	115.2
1982	Q	37	Very low	36	Very low	180.6 Å²	180.6	132.2 Å²	132.2	84%	0.844	75%	0.75	S	S	*	*			trans	-147.9	169.4	150.3	-95.2	166.9	-20.6	0	0	115.9
1983	S	35.6	Very low	36.3	Very low	101.6 Å²	101.6	132.3 Å²	132.3	71%	0.71	75%	0.751	S	S	*	*			trans	136.1	146	150.8	56.7	0	0	0	0	116.3
1984	T	34.3	Very low	36	Very low	124.8 Å²	124.8	135.8 Å²	135.8	77%	0.766	76%	0.757	S	S	*	*				88.8	141.6	127.4	43.1	0	0	0	0	115.5
1985	Q	33	Very low	36.2	Very low	157.8 Å²	157.8	132 Å²	132	74%	0.737	76%	0.756	S	S	*	*				95.7	143.7	85.6	-129.4	-163.3	48.5	0	0	115.5
1986	Q	34.6	Very low	36.5	Very low	158.8 Å²	158.8	135.4 Å²	135.4	74%	0.742	76%	0.761	S	S	*	*			trans	83.4	127.1	158.3	-53.2	-156.7	21.1	0	0	120.4
1987	H	32.8	Very low	36.4	Very low	160.2 Å²	160.2	138.2 Å²	138.2	74%	0.742	77%	0.768	S	S	*	*				101.2	115.9	110.8	-149.2	-103.5	0	0	0	119.5
1988	L	29.4	Very low	36.5	Very low	145 Å²	145	137.5 Å²	137.5	76%	0.759	77%	0.768	S	S	*	*			trans	23.9	143	153	-77	141.6	0	0	0	117.2
1989	S	33.7	Very low	36.6	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	77%	0.77	S	S	*	*			trans	141.3	127.6	142.5	40.6	0	0	0	0	114.5
1990	V	30.7	Very low	36.3	Very low	133.4 Å²	133.4	140.4 Å²	140.4	81%	0.808	77%	0.771	S	S	*	*				66.3	123.4	112.6	175.8	0	0	0	0	113.8
1991	V	36.2	Very low	36.4	Very low	132.4 Å²	132.4	140.1 Å²	140.1	80%	0.802	77%	0.772	S	S	*	*			trans	-164.3	131.8	149.1	-135.8	0	0	0	0	113.6
1992	N	33.9	Very low	36.5	Very low	141 Å²	141	142.5 Å²	142.5	75%	0.754	78%	0.778	S	S	*	*			trans	-28.6	144	156.5	-80	-0.4	0	0	0	117.7
1993	S	39.7	Very low	36.7	Very low	111.2 Å²	111.2	142.2 Å²	142.2	78%	0.778	78%	0.777	S	S	*	*				-177	147.3	115.6	53.6	0	0	0	0	114.9
1994	H	38.9	Very low	37.1	Very low	184.8 Å²	184.8	143.2 Å²	143.2	86%	0.856	78%	0.781	S	S	*	*			trans	-60	147.7	-177.6	-67.2	-82.1	0	0	0	115.6
1995	G	38.8	Very low	37.4	Very low	71.8 Å²	71.8	145.9 Å²	145.9	74%	0.74	78%	0.782	S	S	*	*			trans	-161.1	113.9	140.5	0	0	0	0	0	112
1996	K	42.5	Very low	37.9	Very low	183 Å²	183	143 Å²	143	80%	0.796	78%	0.78	S	S	*	*			trans	-66.4	128.5	162.1	-66.7	-177.1	176.3	-177.5	0	112.7	I1998	K1996-I1998 PolarHBondContact O-N 3.43Å
1997	F	36.7	Very low	38.7	Very low	199 Å²	199	140.4 Å²	140.4	87%	0.873	78%	0.776	S	S	*	*			trans	-109.8	139.3	152.8	-84.5	-78.2	0	0	0	110.4
1998	I	39.6	Very low	39.5	Very low	146 Å²	146	138.9 Å²	138.9	75%	0.749	77%	0.774	S	S	*	*			trans	-125.6	137	169.7	-76.6	170.7	0	0	0	108.1	K1996 Q2000	K1996-I1998 PolarHBondContact O-N 3.43Å; I1998-Q2000 PolarHBondContact O-N 2.9Å; I1998-Q2000 VanDerWaalsContact O-O 3.13Å
1999	S	37.2	Very low	40.4	Very low	108.6 Å²	108.6	137.8 Å²	137.8	76%	0.759	78%	0.775	S	S	*	*			trans	-126.8	123.3	172.2	-60.5	0	0	0	0	111.1
2000	Q	37.3	Very low	41.2	Very low	172 Å²	172	140.5 Å²	140.5	80%	0.804	78%	0.778	S	S	*	*			trans	-126.8	142	165.6	-77.2	-173.7	26.4	0	0	109	I1998	I1998-Q2000 PolarHBondContact O-N 2.9Å; I1998-Q2000 VanDerWaalsContact O-O 3.13Å
2001	P	41.7	Very low	42.7	Very low	118 Å²	118	140.1 Å²	140.1	77%	0.766	78%	0.776	S	S	*	*			trans	-104.5	128.6	160.9	35.1	-26.5	0	0	0	112.2	Q2003	P2001-Q2003 PolarHBondContact O-N 3.03Å
2002	L	42.6	Very low	44.3	Very low	154 Å²	154	139 Å²	139	81%	0.806	77%	0.771	S	S	*	*			trans	-81.3	124.7	161.9	-72.4	167.4	0	0	0	111.6	P2004	L2002-P2004 WeakPolarHBondContact O-CD 3.44Å
2003	Q	41.7	Very low	46.1	Very low	175.2 Å²	175.2	137.8 Å²	137.8	82%	0.819	77%	0.772	S	S	*	*			trans	-37.5	130.8	155.9	-70.4	-178.7	-14.8	0	0	113.9	P2001 K2005	P2001-Q2003 PolarHBondContact O-N 3.03Å; Q2003-K2005 VanDerWaalsContact C-N 3.35Å; Q2003-K2005 HydrophobicContact CB-CG 4.07Å; Q2003-K2005 PolarHBondContact O-N 3.12Å; Q2003-K2005 VanDerWaalsContact O-N 3.07Å
2004	P	43.4	Very low	47.8	Very low	121.6 Å²	121.6	137.8 Å²	137.8	79%	0.79	77%	0.769	S	S	*	*			trans	-87.5	140.9	161.2	16.4	-5.2	0	0	0	111.3	L2002 S2006	L2002-P2004 WeakPolarHBondContact O-CD 3.44Å; P2004-S2006 PolarHBondContact O-N 3.22Å
2005	K	41.8	Very low	49.4	Very low	182.2 Å²	182.2	134.4 Å²	134.4	79%	0.792	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-74.4	149	177.8	-99.6	122.2	174.5	178.2	0	112.3	D1330 D1331 D1332 Q2003 P2007	D1330-K2005 CarbonylContact C-O 3.59Å; D1330-K2005 WeakPolarHBondContact CA-O 3.47Å; D1330-K2005 WeakPolarHBondContact CB-O 3.42Å; D1331-K2005 PolarHBondContact N-O 3.39Å; D1332-K2005 VanDerWaalsContact OD2-CB 3.22Å; D1332-K2005 WeakPolarHBondContact OD2-CB 3.36Å; Q2003-K2005 VanDerWaalsContact C-N 3.35Å; Q2003-K2005 HydrophobicContact CB-CG 4.07Å; Q2003-K2005 PolarHBondContact O-N 3.12Å; Q2003-K2005 VanDerWaalsContact O-N 3.07Å; K2005-P2007 WeakPolarHBondContact O-CD 3.41Å
2006	S	42.8	Very low	51	Low	97.4 Å²	97.4	136.2 Å²	136.2	68%	0.681	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-72.1	139.7	179.3	70	0	0	0	0	112.9	E1329 D1330 D1331 P2004 N2008	E1329-S2006 WeakPolarHBondContact OE2-CB 3.44Å; D1330-S2006 WeakPolarHBondContact OD1-CA 3.34Å; D1331-S2006 WeakPolarHBondContact CB-O 3.4Å; P2004-S2006 PolarHBondContact O-N 3.22Å; S2006-N2008 PolarHBondContact O-N 3.18Å
2007	P	52.2	Low	52.3	Low	102.8 Å²	102.8	133.5 Å²	133.5	67%	0.668	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-81.4	142.1	171.5	17.3	-9.7	0	0	0	111	E1329 D1331 K2005 P2009	E1329-P2007 HydrophobicContact CB-CB 4.22Å; E1329-P2007 HydrophobicContact CB-CG 3.66Å; E1329-P2007 VanDerWaalsContact CD-CG 3.48Å; E1329-P2007 HydrophobicContact CG-CG 3.54Å; E1329-P2007 WeakPolarHBondContact OE1-CD 3.28Å; E1329-P2007 WeakPolarHBondContact OE1-CG 3.48Å; E1329-P2007 VanDerWaalsContact OE2-CD 3.27Å; E1329-P2007 WeakPolarHBondContact OE2-CD 3.45Å; D1331-P2007 WeakPolarHBondContact OD2-CA 3.1Å; K2005-P2007 WeakPolarHBondContact O-CD 3.41Å; P2007-P2009 WeakPolarHBondContact O-CD 3.35Å
2008	N	48.2	Very low	53.1	Low	129.8 Å²	129.8	134.1 Å²	134.1	69%	0.694	76%	0.761	S	S	*	*			trans	-80.6	126.3	172.9	-105.3	-38.4	0	0	0	112.1	D1331 S2006 M2010	D1331-N2008 PolarHBondContact OD1-N 3.15Å; D1331-N2008 PolarHBondContact OD2-N 3.46Å; D1331-N2008 VanDerWaalsContact OD2-N 3.07Å; D1331-N2008 PolarHBondContact OD2-ND2 2.73Å; S2006-N2008 PolarHBondContact O-N 3.18Å; N2008-M2010 VanDerWaalsContact C-N 3.3Å; N2008-M2010 HydrophobicContact CB-CG 4.43Å; N2008-M2010 PolarHBondContact O-N 3.17Å
2009	P	49.1	Very low	54.1	Low	121.2 Å²	121.2	132.7 Å²	132.7	79%	0.787	76%	0.761	S	S	*	*			trans	-73.1	71.1	174.2	31.9	-34.9	0	0	0	110.7	P2007 T2011	P2007-P2009 WeakPolarHBondContact O-CD 3.35Å; P2009-T2011 PolarHBondContact O-N 2.84Å
2010	M	50.1	Low	54.6	Low	165.8 Å²	165.8	132.5 Å²	132.5	82%	0.817	76%	0.76	S	S	*	*			trans	-74.2	114.7	174.4	-78.1	-162.9	68.6	0	0	110.9	N2008	N2008-M2010 VanDerWaalsContact C-N 3.3Å; N2008-M2010 HydrophobicContact CB-CG 4.43Å; N2008-M2010 PolarHBondContact O-N 3.17Å
2011	T	61.7	Low	55	Low	124.4 Å²	124.4	133.4 Å²	133.4	76%	0.763	76%	0.764	S	S	*	*			trans	-39.7	125.6	177.6	-41.5	0	0	0	0	112.4	P2009	P2009-T2011 PolarHBondContact O-N 2.84Å
2012	P	69.9	Low	55	Low	109.4 Å²	109.4	133.6 Å²	133.6	71%	0.71	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-60.8	142.8	171.7	26.4	-34.1	0	0	0	110.4
2013	P	72.8	Confident	55	Low	116.6 Å²	116.6	133.4 Å²	133.4	76%	0.757	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-63.7	145.5	179.4	26.8	-34.3	0	0	0	111
2014	P	74.7	Confident	55	Low	111 Å²	111	136.4 Å²	136.4	72%	0.721	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-63	145.1	176.4	27.1	-34.3	0	0	0	110.7
2015	P	72.7	Confident	54.7	Low	113.2 Å²	113.2	136.3 Å²	136.3	74%	0.735	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-61.7	146.6	178	26.1	-34.2	0	0	0	111
2016	P	72	Confident	54.6	Low	110 Å²	110	130.9 Å²	130.9	71%	0.714	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-62.2	143.4	179.4	26.3	-34.3	0	0	0	110.9	Y2018	P2016-Y2018 PolarHBondContact O-N 3.16Å; P2016-Y2018 VanDerWaalsContact O-N 3.16Å
2017	P	69.6	Low	54.4	Low	125.4 Å²	125.4	134.2 Å²	134.2	81%	0.814	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-65.4	126	-179.6	26.5	-33.5	0	0	0	110.5
2018	Y	53.7	Low	53.4	Low	212 Å²	212	139.4 Å²	139.4	83%	0.831	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-58.6	137.8	172.9	-90.3	-93	0	0	0	110.6	P2016 S2020	P2016-Y2018 PolarHBondContact O-N 3.16Å; P2016-Y2018 VanDerWaalsContact O-N 3.16Å; Y2018-S2020 PolarHBondContact O-N 3.19Å; Y2018-S2020 PolarHBondContact O-OG 3.36Å
2019	P	61.7	Low	53.2	Low	115.8 Å²	115.8	138.2 Å²	138.2	75%	0.752	77%	0.773	S	S	*	*			trans	-69.2	96.1	179.4	28	-34.2	0	0	0	110.7	Q2021	P2019-Q2021 PolarHBondContact O-N 3.23Å; P2019-Q2021 VanDerWaalsContact O-N 3.16Å
2020	S	46.5	Very low	52.6	Low	104.8 Å²	104.8	139.3 Å²	139.3	73%	0.733	77%	0.767	S	S	*	*			trans	-66	109.5	173.4	-62.1	0	0	0	0	109.1	Y2018 V2022	Y2018-S2020 PolarHBondContact O-N 3.19Å; Y2018-S2020 PolarHBondContact O-OG 3.36Å; S2020-V2022 VanDerWaalsContact C-N 3.28Å; S2020-V2022 WeakPolarHBondContact O-CG2 3.28Å; S2020-V2022 PolarHBondContact O-N 3.23Å
2021	Q	45.3	Very low	52	Low	190.8 Å²	190.8	139.4 Å²	139.4	89%	0.892	77%	0.766	S	S	*	*			trans	-69.8	98.8	176	-68.2	-149.6	7.7	0	0	110.1	P2019 I2023	P2019-Q2021 PolarHBondContact O-N 3.23Å; P2019-Q2021 VanDerWaalsContact O-N 3.16Å; Q2021-I2023 VanDerWaalsContact C-N 3.29Å; Q2021-I2023 PolarHBondContact O-N 2.62Å
2022	V	42.9	Very low	50.8	Low	122.2 Å²	122.2	140.8 Å²	140.8	74%	0.741	76%	0.764	S	S	*	*			trans	-91.5	109.6	175.6	178.6	0	0	0	0	109.5	S2020 R2024	S2020-V2022 VanDerWaalsContact C-N 3.28Å; S2020-V2022 WeakPolarHBondContact O-CG2 3.28Å; S2020-V2022 PolarHBondContact O-N 3.23Å; V2022-R2024 VanDerWaalsContact C-N 3.32Å; V2022-R2024 HydrophobicContact CG1-CG 3.83Å; V2022-R2024 PolarHBondContact O-N 2.87Å
2023	I	41.3	Very low	49.3	Very low	149.4 Å²	149.4	142.9 Å²	142.9	77%	0.766	76%	0.764	S	S	*	*			trans	-37.2	119.5	165.9	-59.6	160.2	0	0	0	111.9	Q2021 P2025	Q2021-I2023 VanDerWaalsContact C-N 3.29Å; Q2021-I2023 PolarHBondContact O-N 2.62Å; I2023-P2025 HydrophobicContact CG2-CG 4.4Å
2024	R	42.4	Very low	47.5	Very low	237.6 Å²	237.6	144.7 Å²	144.7	90%	0.897	76%	0.762	S	S	*	*			trans	-134.5	126.1	151.4	-84.8	-178.9	-169.1	-108.3	0	111.1	V2022	V2022-R2024 VanDerWaalsContact C-N 3.32Å; V2022-R2024 HydrophobicContact CG1-CG 3.83Å; V2022-R2024 PolarHBondContact O-N 2.87Å
2025	P	38.1	Very low	45.5	Very low	120.6 Å²	120.6	143.8 Å²	143.8	78%	0.783	76%	0.759	S	S	*	*			trans	-100.8	152	-176.6	35.7	-28.9	0	0	0	113.3	I2023	I2023-P2025 HydrophobicContact CG2-CG 4.4Å
2026	G	38.9	Very low	43.7	Very low	68 Å²	68	146.2 Å²	146.2	70%	0.701	76%	0.76	S	S	*	*			trans	106.3	131.1	158.9	0	0	0	0	0	117.4
2027	M	38.7	Very low	41.8	Very low	168.4 Å²	168.4	145.9 Å²	145.9	83%	0.83	76%	0.76	S	S	*	*				150.4	129.5	124.3	-70.9	168.8	85.3	0	0	114.1
2028	W	31.8	Very low	40	Very low	211 Å²	211	150.2 Å²	150.2	80%	0.799	76%	0.76	S	S	*	*			trans	-54.2	146.9	152.1	-81.5	67.3	0	0	0	114.6	Q2030	W2028-Q2030 HydrophobicContact CE3-CB 4.01Å; W2028-Q2030 HydrophobicContact CE3-CG 4.13Å; W2028-Q2030 HydrophobicContact CZ3-CB 4.35Å; W2028-Q2030 HydrophobicContact CZ3-CG 4.03Å
2029	P	43.3	Very low	38.9	Very low	105.6 Å²	105.6	147.1 Å²	147.1	69%	0.686	76%	0.757	S	S	*	*				-128.8	156.6	84.8	33.4	-19.6	0	0	0	112.5
2030	Q	36.4	Very low	37.6	Very low	143.8 Å²	143.8	148.3 Å²	148.3	67%	0.672	76%	0.756	S	S	*	*			cis	144.1	109.8	5.1	-175.6	178.9	11.4	0	0	110.8	W2028	W2028-Q2030 HydrophobicContact CE3-CB 4.01Å; W2028-Q2030 HydrophobicContact CE3-CG 4.13Å; W2028-Q2030 HydrophobicContact CZ3-CB 4.35Å; W2028-Q2030 HydrophobicContact CZ3-CG 4.03Å
2031	Q	38.3	Very low	36.9	Very low	167.2 Å²	167.2	148 Å²	148	78%	0.781	75%	0.754	S	S	*	*			trans	-159.8	120.4	148.9	-117.3	175.5	-10.9	0	0	109.2
2032	Q	35.8	Very low	36.4	Very low	153.8 Å²	153.8	143.4 Å²	143.4	72%	0.719	74%	0.742	S	S	*	*				48	134.6	117.3	-68.4	-176.6	-15.4	0	0	113.6
2033	Q	37.9	Very low	36.2	Very low	152.8 Å²	152.8	143.8 Å²	143.8	71%	0.714	74%	0.741	S	S	*	*			cis	-174.3	147.8	44.4	-100.2	177.4	-49.2	0	0	112.7
2034	Q	34.8	Very low	36.2	Very low	155.8 Å²	155.8	145.5 Å²	145.5	73%	0.728	75%	0.745	S	S	*	*				69	118.8	128.2	-78	173.3	-6.2	0	0	115.3
2035	S	34.1	Very low	36	Very low	91.8 Å²	91.8	137.8 Å²	137.8	64%	0.642	74%	0.74	S	S	*	*				106.7	142.8	86.5	59.9	0	0	0	0	115
2036	H	35.1	Very low	35.7	Very low	164 Å²	164	136.6 Å²	136.6	76%	0.759	74%	0.74	S	S	*	*				161.6	124.5	129.6	-71.8	-69.2	0	0	0	112.4
2037	S	31.2	Very low	35.6	Very low	102.4 Å²	102.4	141 Å²	141	72%	0.716	75%	0.746	S	S	*	*			trans	30.7	138.3	132.9	-58.4	0	0	0	0	114
2038	R	32.4	Very low	35.2	Very low	216 Å²	216	140.8 Å²	140.8	82%	0.815	75%	0.745	S	S	*	*			trans	159	140.9	149.2	-80.1	175.1	-154.4	-101.6	1.9	111.5	I2040	R2038-I2040 HydrophobicContact CB-CB 4.48Å; R2038-I2040 HydrophobicContact CB-CD1 4.46Å; R2038-I2040 HydrophobicContact CB-CG1 4.05Å; R2038-I2040 HydrophobicContact CG-CD1 4.03Å; R2038-I2040 HydrophobicContact CG-CG1 4.06Å; R2038-I2040 VanDerWaalsContact NH1-CD1 3.26Å
2039	L	29.2	Very low	35.4	Very low	147.8 Å²	147.8	138.1 Å²	138.1	77%	0.774	75%	0.745	S	S	*	*			cis	138.8	132.5	9.7	-83.8	169	0	0	0	112.3
2040	I	34.8	Very low	34.9	Very low	140.6 Å²	140.6	137.6 Å²	137.6	72%	0.721	74%	0.744	S	S	*	*			trans	154.7	131	140.2	-63.9	163.4	0	0	0	110.4	R2038 S2042	R2038-I2040 HydrophobicContact CB-CB 4.48Å; R2038-I2040 HydrophobicContact CB-CD1 4.46Å; R2038-I2040 HydrophobicContact CB-CG1 4.05Å; R2038-I2040 HydrophobicContact CG-CD1 4.03Å; R2038-I2040 HydrophobicContact CG-CG1 4.06Å; R2038-I2040 VanDerWaalsContact NH1-CD1 3.26Å; I2040-S2042 WeakPolarHBondContact CG2-O 3.48Å
2041	S	31.3	Very low	34.6	Very low	99 Å²	99	135.3 Å²	135.3	69%	0.692	75%	0.75	S	S	*	*				69.2	124.3	72.2	-152	0	0	0	0	115.5
2042	S	36.3	Very low	34.6	Very low	93 Å²	93	133.6 Å²	133.6	65%	0.65	75%	0.751	S	S	*	*				113.9	137.7	113.4	53.7	0	0	0	0	113.5	I2040	I2040-S2042 WeakPolarHBondContact CG2-O 3.48Å
2043	N	38.8	Very low	34.6	Very low	132.2 Å²	132.2	129.5 Å²	129.5	71%	0.707	75%	0.75	S	S	*	*			cis	-171.2	133.7	47.3	-88.7	-29.4	0	0	0	112.7
2044	Q	40	Very low	34.5	Very low	183.8 Å²	183.8	130.2 Å²	130.2	86%	0.859	75%	0.753	S	S	*	*			trans	64.1	138.4	137.7	-63.4	-170.6	78	0	0	117.2
2045	G	38.4	Very low	34.2	Very low	75.8 Å²	75.8	127.7 Å²	127.7	78%	0.781	75%	0.751	S	S	*	*			cis	-170.5	127.9	0.3	0	0	0	0	0	114.5	I2047	G2045-I2047 PolarHBondContact O-N 3.08Å
2046	A	31.8	Very low	34.3	Very low	95.6 Å²	95.6	131.5 Å²	131.5	79%	0.79	76%	0.764	S	S	*	*			trans	-107.4	136.2	180	0	0	0	0	0	111.4	M2048	A2046-M2048 HydrophobicContact CB-CB 3.87Å; A2046-M2048 HydrophobicContact CB-CG 3.74Å
2047	I	36.8	Very low	34.3	Very low	160.4 Å²	160.4	129.8 Å²	129.8	82%	0.823	76%	0.764	S	S	*	*			trans	-130.6	111.8	160.7	-53.8	178.2	0	0	0	107.5	G2045 L2049	G2045-I2047 PolarHBondContact O-N 3.08Å; I2047-L2049 HydrophobicContact CG2-CB 4.46Å; I2047-L2049 HydrophobicContact CG2-CD1 4.38Å; I2047-L2049 HydrophobicContact CG2-CD2 4.41Å; I2047-L2049 HydrophobicContact CG2-CG 4.26Å
2048	M	31.2	Very low	34.6	Very low	164.4 Å²	164.4	130.2 Å²	130.2	81%	0.81	77%	0.765	S	S	*	*			trans	-83.2	138.3	149.4	-73	-147.7	-58.5	0	0	109.8	A2046	A2046-M2048 HydrophobicContact CB-CB 3.87Å; A2046-M2048 HydrophobicContact CB-CG 3.74Å
2049	L	35.3	Very low	34.7	Very low	153.6 Å²	153.6	129.2 Å²	129.2	80%	0.804	77%	0.769	S	S	*	*			trans	-174.2	110.5	161.3	-60.2	178.2	0	0	0	109.9	I2047	I2047-L2049 HydrophobicContact CG2-CB 4.46Å; I2047-L2049 HydrophobicContact CG2-CD1 4.38Å; I2047-L2049 HydrophobicContact CG2-CD2 4.41Å; I2047-L2049 HydrophobicContact CG2-CG 4.26Å
2050	S	32.7	Very low	35	Very low	96 Å²	96	125.6 Å²	125.6	67%	0.671	77%	0.768	S	S	*	*				81.1	119.2	60.7	146	0	0	0	0	113.1	T2052	S2050-T2052 PolarHBondContact O-N 3.47Å; S2050-T2052 PolarHBondContact OG-OG1 3.46Å
2051	A	31.2	Very low	35.1	Very low	95.8 Å²	95.8	124.1 Å²	124.1	79%	0.792	77%	0.77	S	S	*	*			trans	-51.5	129	157.4	0	0	0	0	0	114.5
2052	T	36.5	Very low	35.2	Very low	132 Å²	132	126.6 Å²	126.6	81%	0.81	78%	0.775	S	S	*	*			trans	156.3	133.8	168.6	45.2	0	0	0	0	112.3	S2050	S2050-T2052 PolarHBondContact O-N 3.47Å; S2050-T2052 PolarHBondContact OG-OG1 3.46Å
2053	G	36.9	Very low	35.1	Very low	66.2 Å²	66.2	127.5 Å²	127.5	68%	0.682	78%	0.782	S	S	*	*			cis	140.2	122.2	41.7	0	0	0	0	0	112.2
2054	Q	34.8	Very low	34.9	Very low	169 Å²	169	125.2 Å²	125.2	79%	0.79	78%	0.781	S	S	*	*			trans	177.9	136.8	172.8	-65.5	-98.5	11	0	0	112.7
2055	C	29.1	Very low	34.7	Very low	102.4 Å²	102.4	124 Å²	124	69%	0.692	78%	0.775	S	S	*	*			trans	-162.2	142.4	131.1	-81.8	0	0	0	0	113.8
2056	L	35.3	Very low	34.6	Very low	171.8 Å²	171.8	127.1 Å²	127.1	90%	0.899	77%	0.773	S	S	*	*			trans	-172.4	106.4	140.6	-76.2	175.7	0	0	0	112.7
2057	V	35.8	Very low	35	Very low	127.2 Å²	127.2	128.9 Å²	128.9	77%	0.771	77%	0.769	S	S	*	*			trans	-42.9	139.3	162.6	168.2	0	0	0	0	113.1
2058	P	38.1	Very low	34.8	Very low	111 Å²	111	128.7 Å²	128.7	72%	0.721	77%	0.766	S	S	*	*				-120.8	160.9	128.6	39.5	-27.8	0	0	0	116.5
2059	Q	34.9	Very low	34.9	Very low	195.4 Å²	195.4	125.3 Å²	125.3	91%	0.913	76%	0.759	S	S	*	*			trans	-168.7	143.1	154.7	-68.2	-166.1	-40	0	0	114.4
2060	G	35.7	Very low	35	Very low	71.8 Å²	71.8	123.3 Å²	123.3	74%	0.74	76%	0.758	S	S	*	*				120.3	124.6	102.8	0	0	0	0	0	115.8
2061	S	35.9	Very low	35.5	Very low	110.4 Å²	110.4	124.7 Å²	124.7	77%	0.772	76%	0.764	S	S	*	*			trans	157.8	135.7	134.6	-62.4	0	0	0	0	114
2062	N	33.6	Very low	35.7	Very low	151 Å²	151	128.4 Å²	128.4	81%	0.807	77%	0.765	S	S	*	*				81.8	142.5	101.1	-81.2	-31	0	0	0	119
2063	S	34.6	Very low	35.5	Very low	112 Å²	112	127.3 Å²	127.3	78%	0.783	76%	0.763	S	S	*	*			trans	106.4	127.8	149.2	-75.4	0	0	0	0	117.9
2064	A	35	Very low	35.3	Very low	83.4 Å²	83.4	131 Å²	131	69%	0.689	77%	0.767	S	S	*	*			trans	104.2	135.5	136	0	0	0	0	0	115.9	N2403	A2064-N2403 PolarHBondContact N-O 3.49Å
2065	Q	35.6	Very low	35.3	Very low	159.2 Å²	159.2	128.5 Å²	128.5	74%	0.744	76%	0.763	S	S	*	*				71.4	128.3	120.8	-60.6	-113.8	16.7	0	0	116	P2402	Q2065-P2402 CarbonylContact C-O 2.83Å; Q2065-P2402 WeakPolarHBondContact CA-O 3.26Å; Q2065-P2402 PolarHBondContact N-O 3.18Å
2066	L	36.3	Very low	35.7	Very low	140.8 Å²	140.8	128.9 Å²	128.9	74%	0.737	76%	0.764	S	S	*	*				179	136.4	109.2	-65.2	168.3	0	0	0	113.4	E2400 I2401	L2066-E2400 CarbonylContact C-O 3.1Å; L2066-E2400 VanDerWaalsContact CA-O 3.26Å; L2066-E2400 WeakPolarHBondContact CA-O 3.4Å; L2066-E2400 WeakPolarHBondContact CB-O 3.43Å; L2066-I2401 WeakPolarHBondContact O-CA 3.12Å; L2066-I2401 VanDerWaalsContact O-CG1 3.28Å; L2066-I2401 WeakPolarHBondContact O-CG1 3.44Å
2067	L	38.9	Very low	35.5	Very low	134 Å²	134	128.1 Å²	128.1	70%	0.702	76%	0.758	S	S	*	*				50.6	140.2	122.2	-82.4	135.2	0	0	0	116.1	E2400	L2067-E2400 CarbonylContact C-O 3.56Å; L2067-E2400 WeakPolarHBondContact CA-O 3.26Å; L2067-E2400 VanDerWaalsContact CB-O 3.26Å; L2067-E2400 WeakPolarHBondContact CB-O 3.09Å; L2067-E2400 PolarHBondContact N-O 2.87Å; L2067-E2400 VanDerWaalsContact N-O 3.15Å
2068	M	33.7	Very low	35.4	Very low	154.8 Å²	154.8	128.3 Å²	128.3	76%	0.763	76%	0.755	S	S	*	*			trans	75.9	106.6	149.9	-78.9	-162.9	87	0	0	115.9	P2399 E2400	M2068-P2399 HydrophobicContact CE-CB 3.54Å; M2068-P2399 HydrophobicContact CE-CG 4.47Å; M2068-P2399 HydrophobicContact CG-CB 3.95Å; M2068-P2399 HydrophobicContact SD-CB 3.47Å; M2068-P2399 WeakPolarHBondContact SD-CB 3.35Å; M2068-E2400 VanDerWaalsContact CA-N 3.31Å; M2068-E2400 WeakPolarHBondContact CE-OE1 3.15Å; M2068-E2400 HydrophobicContact CG-CG 4.17Å; M2068-E2400 WeakPolarHBondContact CG-OE1 3.36Å; M2068-E2400 PolarHBondContact N-O 2.88Å; M2068-E2400 VanDerWaalsContact N-O 3.12Å
2069	S	32.9	Very low	35.2	Very low	93.6 Å²	93.6	127.8 Å²	127.8	66%	0.655	75%	0.75	S	S	*	*			trans	96	131.9	144.6	-57.9	0	0	0	0	116.2	T2398	S2069-T2398 WeakPolarHBondContact OG-CA 3.48Å; S2069-T2398 WeakPolarHBondContact OG-CG2 3.47Å
2070	S	36.4	Very low	35.1	Very low	112 Å²	112	126.6 Å²	126.6	78%	0.783	74%	0.744	S	S	*	*			trans	-77.4	151.3	163.2	-50.2	0	0	0	0	111.3	Q2072	S2070-Q2072 PolarHBondContact O-N 3.05Å
2071	P	43.4	Very low	35	Very low	124 Å²	124	130.7 Å²	130.7	81%	0.805	74%	0.744	S	S	*	*			trans	-102.8	136.6	136.6	32.5	-25.7	0	0	0	112.7
2072	Q	35.2	Very low	35	Very low	174.8 Å²	174.8	133.4 Å²	133.4	82%	0.817	75%	0.749	S	S	*	*			trans	-41.3	134.1	144.6	-83.2	-179	-11.3	0	0	113.8	S2070 N2074	S2070-Q2072 PolarHBondContact O-N 3.05Å; Q2072-N2074 PolarHBondContact O-N 3.17Å
2073	S	34.1	Very low	34.9	Very low	108.2 Å²	108.2	132.7 Å²	132.7	76%	0.757	74%	0.743	S	S	*	*			trans	-160.5	124.3	146.5	104.1	0	0	0	0	112.3	V2075	S2073-V2075 PolarHBondContact O-N 3.44Å
2074	N	31.7	Very low	35.2	Very low	144.4 Å²	144.4	133.1 Å²	133.1	77%	0.772	74%	0.743	S	S	*	*			trans	-131.2	140.3	140.4	-112.3	-31	0	0	0	111.7	Q2072	Q2072-N2074 PolarHBondContact O-N 3.17Å
2075	V	35.1	Very low	35.2	Very low	116.6 Å²	116.6	134.7 Å²	134.7	71%	0.707	74%	0.744	S	S	*	*			trans	-70.2	145.7	157.1	-135.3	0	0	0	0	114.4	S2073 M2077	S2073-V2075 PolarHBondContact O-N 3.44Å; V2075-M2077 HydrophobicContact CG1-CG 4.43Å
2076	P	36.6	Very low	35	Very low	109.8 Å²	109.8	132 Å²	132	71%	0.713	74%	0.742	S	S	*	*			cis	-116.6	176.1	-40.3	31.5	-17	0	0	0	113.8
2077	M	31.1	Very low	34.8	Very low	155.2 Å²	155.2	130.4 Å²	130.4	77%	0.765	74%	0.741	S	S	*	*			trans	99.5	136.3	158	-62.5	-82.1	-70.2	0	0	115.7	V2075	V2075-M2077 HydrophobicContact CG1-CG 4.43Å
2078	D	33.8	Very low	34.4	Very low	132.6 Å²	132.6	132.2 Å²	132.2	71%	0.709	75%	0.746	S	S	*	*				-147.6	138.4	100.6	-124.9	-43.9	0	0	0	113.6	Q2080	D2078-Q2080 PolarHBondContact O-N 2.86Å; D2078-Q2080 VanDerWaalsContact O-N 3.15Å
2079	T	34.7	Very low	34.4	Very low	99.2 Å²	99.2	133.1 Å²	133.1	61%	0.609	75%	0.748	S	S	*	*			trans	73.5	110.8	143	-40.6	0	0	0	0	117.2
2080	Q	32.9	Very low	34.3	Very low	170.6 Å²	170.6	133.4 Å²	133.4	80%	0.797	75%	0.751	S	S	*	*			trans	172.3	129.3	131.6	-69.9	-168.6	62.9	0	0	116.9	D2078	D2078-Q2080 PolarHBondContact O-N 2.86Å; D2078-Q2080 VanDerWaalsContact O-N 3.15Å
2081	H	32.9	Very low	34.1	Very low	159 Å²	159	133.7 Å²	133.7	74%	0.736	75%	0.748	S	S	*	*			trans	-129.3	139.6	167.5	-70.8	-69.8	0	0	0	115.2
2082	L	35.7	Very low	33.7	Very low	166.6 Å²	166.6	135.3 Å²	135.3	87%	0.872	74%	0.744	S	S	*	*			trans	-153.2	134.8	139	-87.8	117.7	0	0	0	113.3	P2084	L2082-P2084 WeakPolarHBondContact O-CD 3.12Å
2083	I	33.3	Very low	33.5	Very low	136.4 Å²	136.4	133.2 Å²	133.2	70%	0.699	74%	0.737	S	S	*	*			trans	-114.5	132.2	172.8	-42.8	170.9	0	0	0	110	V2085 S2699	I2083-V2085 VanDerWaalsContact C-N 3.3Å; I2083-V2085 HydrophobicContact CB-CG2 4.05Å; I2083-V2085 HydrophobicContact CG2-CG2 3.92Å; I2083-V2085 PolarHBondContact O-N 3.38Å; I2083-S2699 WeakPolarHBondContact CG2-O 3.28Å
2084	P	39.9	Very low	33.5	Very low	119.6 Å²	119.6	135.6 Å²	135.6	78%	0.777	74%	0.736	S	S	*	*			trans	-94.1	135.7	163.8	18.5	-7.6	0	0	0	111	L2082	L2082-P2084 WeakPolarHBondContact O-CD 3.12Å
2085	V	35.1	Very low	33.4	Very low	117.6 Å²	117.6	138.4 Å²	138.4	71%	0.713	74%	0.738	S	S	*	*			trans	-137.7	129.3	162	-171.4	0	0	0	0	111.8	I2083 C2087 R2700	I2083-V2085 VanDerWaalsContact C-N 3.3Å; I2083-V2085 HydrophobicContact CB-CG2 4.05Å; I2083-V2085 HydrophobicContact CG2-CG2 3.92Å; I2083-V2085 PolarHBondContact O-N 3.38Å; V2085-C2087 PolarHBondContact O-N 3.37Å; V2085-R2700 PolarHBondContact O-NH1 3.49Å
2086	C	31.6	Very low	33.4	Very low	102.6 Å²	102.6	138.6 Å²	138.6	69%	0.693	73%	0.734	S	S	*	*			trans	-95.1	155.2	173.8	96.3	0	0	0	0	111.1
2087	C	31.5	Very low	33.2	Very low	106 Å²	106	141 Å²	141	72%	0.716	74%	0.736	S	S	*	*				-175	143.9	112.3	-83.4	0	0	0	0	112.1	V2085	V2085-C2087 PolarHBondContact O-N 3.37Å
2088	Q	30.7	Very low	33.3	Very low	173.4 Å²	173.4	144.4 Å²	144.4	81%	0.81	74%	0.74	S	S	*	*			trans	21.9	133.3	164.7	-55.1	-163.4	48.2	0	0	116.5
2089	Q	33.7	Very low	33.4	Very low	172.4 Å²	172.4	143.5 Å²	143.5	81%	0.806	74%	0.741	S	S	*	*				-179.4	137.4	119.3	-103.2	174.5	18.3	0	0	110.1	T2091	Q2089-T2091 HydrophobicContact CB-CG2 4.1Å; Q2089-T2091 HydrophobicContact CG-CG2 4.01Å
2090	S	31.1	Very low	33.2	Very low	101 Å²	101	144.5 Å²	144.5	71%	0.706	75%	0.751	S	S	*	*				136.1	114.6	66.1	-168.2	0	0	0	0	113.9
2091	T	32.5	Very low	33.2	Very low	117.4 Å²	117.4	142.6 Å²	142.6	72%	0.72	75%	0.751	S	S	*	*			trans	-105	122.5	159.2	44.8	0	0	0	0	113.7	Q2089 I2093	Q2089-T2091 HydrophobicContact CB-CG2 4.1Å; Q2089-T2091 HydrophobicContact CG-CG2 4.01Å; T2091-I2093 PolarHBondContact O-N 2.94Å
2092	Q	33.7	Very low	33	Very low	157.8 Å²	157.8	139.7 Å²	139.7	74%	0.737	75%	0.748	S	S	*	*			trans	-130.1	128.9	136.2	-73.9	-80.1	22.8	0	0	112.5	E2094	Q2092-E2094 PolarHBondContact O-N 3.16Å; Q2092-E2094 VanDerWaalsContact O-N 3.12Å
2093	I	32	Very low	32.9	Very low	131 Å²	131	139.9 Å²	139.9	67%	0.672	74%	0.744	S	S	*	*			trans	44.2	110.7	130.3	-61.8	175.5	0	0	0	111	T2091 Y2095	T2091-I2093 PolarHBondContact O-N 2.94Å; I2093-Y2095 HydrophobicContact CG2-CD2 4.12Å; I2093-Y2095 HydrophobicContact CG2-CE2 4.07Å; I2093-Y2095 HydrophobicContact CG2-CG 4.48Å; I2093-Y2095 PolarHBondContact O-N 2.84Å
2094	E	33.6	Very low	33	Very low	157.6 Å²	157.6	138.9 Å²	138.9	74%	0.736	75%	0.747	S	S	*	*				-101.6	124.7	125.6	-162.2	160.9	-166.7	0	0	113.1	Q2092 I2096	Q2092-E2094 PolarHBondContact O-N 3.16Å; Q2092-E2094 VanDerWaalsContact O-N 3.12Å; E2094-I2096 VanDerWaalsContact C-N 3.26Å; E2094-I2096 VanDerWaalsContact CD-CD1 3.47Å; E2094-I2096 HydrophobicContact CG-CB 4.3Å; E2094-I2096 HydrophobicContact CG-CD1 3.92Å; E2094-I2096 HydrophobicContact CG-CG1 3.71Å; E2094-I2096 PolarHBondContact O-N 3.23Å; E2094-I2096 VanDerWaalsContact OE1-CD1 3.22Å; E2094-I2096 WeakPolarHBondContact OE1-CD1 3.27Å; E2094-I2096 WeakPolarHBondContact OE1-CG1 3.26Å
2095	Y	29.9	Very low	32.7	Very low	203.8 Å²	203.8	141.3 Å²	141.3	80%	0.799	75%	0.749	S	S	*	*			trans	-86.1	128.4	149.4	-86.9	-85.3	0	0	0	110.5	I2093 Q2097	I2093-Y2095 HydrophobicContact CG2-CD2 4.12Å; I2093-Y2095 HydrophobicContact CG2-CE2 4.07Å; I2093-Y2095 HydrophobicContact CG2-CG 4.48Å; I2093-Y2095 PolarHBondContact O-N 2.84Å; Y2095-Q2097 PolarHBondContact O-N 2.89Å
2096	I	36.2	Very low	32.8	Very low	121.6 Å²	121.6	144.5 Å²	144.5	62%	0.624	76%	0.757	S	S	*	*			trans	-161.2	125.4	136.4	-81.5	172.6	0	0	0	110.5	E2094 R2098	E2094-I2096 VanDerWaalsContact C-N 3.26Å; E2094-I2096 VanDerWaalsContact CD-CD1 3.47Å; E2094-I2096 HydrophobicContact CG-CB 4.3Å; E2094-I2096 HydrophobicContact CG-CD1 3.92Å; E2094-I2096 HydrophobicContact CG-CG1 3.71Å; E2094-I2096 PolarHBondContact O-N 3.23Å; E2094-I2096 VanDerWaalsContact OE1-CD1 3.22Å; E2094-I2096 WeakPolarHBondContact OE1-CD1 3.27Å; E2094-I2096 WeakPolarHBondContact OE1-CG1 3.26Å; I2096-R2098 HydrophobicContact CG2-CG 3.94Å; I2096-R2098 PolarHBondContact O-N 2.93Å; I2096-R2098 PolarHBondContact O-NH2 3.39Å
2097	Q	32.3	Very low	32.8	Very low	160.4 Å²	160.4	142.4 Å²	142.4	75%	0.75	75%	0.752	S	S	*	*			trans	141.8	115.1	167	-139	170.5	43.6	0	0	112.5	Y2095 P2099	Y2095-Q2097 PolarHBondContact O-N 2.89Å; Q2097-P2099 VanDerWaalsContact O-CD 3.23Å; Q2097-P2099 WeakPolarHBondContact O-CD 3.34Å
2098	R	32.5	Very low	32.9	Very low	225.2 Å²	225.2	142.3 Å²	142.3	85%	0.85	75%	0.752	S	S	*	*			trans	-22.2	139.2	167	-69.1	170	-165.2	-164.5	-1.5	111.9	I2096	I2096-R2098 HydrophobicContact CG2-CG 3.94Å; I2096-R2098 PolarHBondContact O-N 2.93Å; I2096-R2098 PolarHBondContact O-NH2 3.39Å
2099	P	35.7	Very low	33.2	Very low	114.4 Å²	114.4	141.6 Å²	141.6	74%	0.743	75%	0.754	S	S	*	*				-107	174.8	62.6	36.4	-24.6	0	0	0	113.1	Q2097	Q2097-P2099 VanDerWaalsContact O-CD 3.23Å; Q2097-P2099 WeakPolarHBondContact O-CD 3.34Å
2100	C	31	Very low	33.2	Very low	119.8 Å²	119.8	136.4 Å²	136.4	81%	0.809	75%	0.747	S	S	*	*			trans	-56.4	151.2	171.2	44.2	0	0	0	0	114.8	S2102	C2100-S2102 PolarHBondContact O-N 3.44Å
2101	V	32.3	Very low	33.5	Very low	131.2 Å²	131.2	137.2 Å²	137.2	80%	0.795	75%	0.75	S	S	*	*			trans	-140.8	143.5	147.8	171.5	0	0	0	0	111.3	H2103	V2101-H2103 VanDerWaalsContact CG1-CD2 3.45Å; V2101-H2103 WeakPolarHBondContact CG1-CD2 3.4Å
2102	S	29.6	Very low	33.4	Very low	97.4 Å²	97.4	138.5 Å²	138.5	68%	0.681	75%	0.748	S	S	*	*			trans	-75.1	138.9	175.4	54.5	0	0	0	0	115.6	C2100	C2100-S2102 PolarHBondContact O-N 3.44Å
2103	H	33.3	Very low	33.5	Very low	171.6 Å²	171.6	141.1 Å²	141.1	79%	0.794	75%	0.751	S	S	*	*			trans	-64.8	155.3	148	-67.2	-73.1	0	0	0	113.1	V2101 M2105	V2101-H2103 VanDerWaalsContact CG1-CD2 3.45Å; V2101-H2103 WeakPolarHBondContact CG1-CD2 3.4Å; H2103-M2105 HydrophobicContact CB-CB 4.47Å; H2103-M2105 HydrophobicContact CB-CG 4.36Å
2104	P	35.1	Very low	33.7	Very low	115.6 Å²	115.6	140.9 Å²	140.9	75%	0.751	76%	0.756	S	S	*	*			trans	-115	155	146.5	28	-19	0	0	0	112.9	H2106	P2104-H2106 PolarHBondContact O-N 3.04Å; P2104-H2106 VanDerWaalsContact O-N 3.09Å
2105	M	32.3	Very low	33.9	Very low	168.8 Å²	168.8	139.1 Å²	139.1	83%	0.832	76%	0.758	S	S	*	*			trans	-92.5	133.1	144.1	-80.2	-67	171	0	0	111.8	H2103 G2107	H2103-M2105 HydrophobicContact CB-CB 4.47Å; H2103-M2105 HydrophobicContact CB-CG 4.36Å; M2105-G2107 PolarHBondContact O-N 3.44Å
2106	H	37.8	Very low	34.2	Very low	186.4 Å²	186.4	134.5 Å²	134.5	86%	0.863	76%	0.756	S	S	*	*			trans	144.1	127.1	158.6	-96	-90.8	0	0	0	111.7	P2104	P2104-H2106 PolarHBondContact O-N 3.04Å; P2104-H2106 VanDerWaalsContact O-N 3.09Å
2107	G	31.9	Very low	34.1	Very low	58.4 Å²	58.4	134.3 Å²	134.3	60%	0.602	76%	0.761	S	S	*	*			cis	137	164.4	16.4	0	0	0	0	0	111.9	M2105	M2105-G2107 PolarHBondContact O-N 3.44Å
2108	S	34.7	Very low	34.3	Very low	102.8 Å²	102.8	135.4 Å²	135.4	72%	0.719	77%	0.766	S	S	*	*			trans	90.6	142.2	171.1	78	0	0	0	0	114.4
2109	N	36	Very low	34.2	Very low	158.2 Å²	158.2	132.1 Å²	132.1	85%	0.846	76%	0.76	S	S	*	*			cis	173.3	151.2	24.6	-63.3	-44.4	0	0	0	112
2110	G	33.5	Very low	34.3	Very low	64.8 Å²	64.8	135.2 Å²	135.2	67%	0.668	77%	0.767	S	S	*	*			cis	-146.4	168.5	49.6	0	0	0	0	0	111
2111	P	37.9	Very low	34.5	Very low	117.4 Å²	117.4	135.4 Å²	135.4	76%	0.762	76%	0.758	S	S	*	*			cis	-117.8	166.8	-16.7	39.1	-29.6	0	0	0	115.5
2112	Q	30.3	Very low	34.9	Very low	145 Å²	145	135.4 Å²	135.4	68%	0.678	76%	0.758	S	S	*	*			trans	74	127.9	147	-115	-170.8	47.8	0	0	116.9
2113	R	36.4	Very low	35.3	Very low	212.4 Å²	212.4	139.2 Å²	139.2	80%	0.802	77%	0.765	S	S	*	*				178.3	138	90.8	-100.3	161.8	-156.4	-98.8	-3.7	114.7
2114	T	35.1	Very low	35.5	Very low	125.6 Å²	125.6	134.2 Å²	134.2	77%	0.771	76%	0.76	S	S	*	*			trans	-107.4	177.5	163.7	51.4	0	0	0	0	109.8
2115	P	39.1	Very low	35.6	Very low	119.4 Å²	119.4	138.4 Å²	138.4	78%	0.775	77%	0.77	S	S	*	*			cis	-132.3	-163.9	-11.3	40.1	-22	0	0	0	112.9
2116	S	35.7	Very low	35.8	Very low	108.6 Å²	108.6	134.2 Å²	134.2	76%	0.759	77%	0.77	S	S	*	*			trans	-160.7	134.5	143.2	92	0	0	0	0	115.5
2117	T	33.1	Very low	35.7	Very low	117.8 Å²	117.8	128.7 Å²	128.7	72%	0.723	76%	0.763	S	S	*	*			trans	-85.3	133.1	156	-54.1	0	0	0	0	111.5	Q2119	T2117-Q2119 HydrophobicContact CG2-CG 4.18Å
2118	Q	37.7	Very low	35.8	Very low	183 Å²	183	133.9 Å²	133.9	86%	0.855	78%	0.777	S	S	*	*			trans	-151.8	128.6	154.5	-96.1	174.2	66.7	0	0	108.5
2119	Q	30.5	Very low	35.7	Very low	155.4 Å²	155.4	136.3 Å²	136.3	73%	0.726	78%	0.776	S	S	*	*				64	112.3	102.3	-65.7	-167.7	4.9	0	0	113.7	T2117 I2121	T2117-Q2119 HydrophobicContact CG2-CG 4.18Å; Q2119-I2121 HydrophobicContact CB-CD1 4.18Å; Q2119-I2121 HydrophobicContact CG-CD1 4.17Å
2120	M	36.3	Very low	35.5	Very low	180.6 Å²	180.6	134.8 Å²	134.8	89%	0.89	77%	0.768	S	S	*	*			trans	-148.4	122.9	140.3	-79.4	-157.8	-67.1	0	0	106.8
2121	I	35.5	Very low	35.3	Very low	122 Å²	122	139.5 Å²	139.5	63%	0.626	77%	0.772	S	S	*	*				76.4	120.2	56.5	-56.7	170.9	0	0	0	112.2	Q2119	Q2119-I2121 HydrophobicContact CB-CD1 4.18Å; Q2119-I2121 HydrophobicContact CG-CD1 4.17Å
2122	V	41.3	Very low	35.1	Very low	133 Å²	133	139.1 Å²	139.1	81%	0.806	77%	0.77	S	S	*	*			trans	-175.6	114.9	155.8	-173.2	0	0	0	0	110.8
2123	H	37.6	Very low	35.2	Very low	175.6 Å²	175.6	138.4 Å²	138.4	81%	0.813	78%	0.775	S	S	*	*			trans	-55.4	151.4	153.8	-67.7	-162.9	0	0	0	114
2124	G	38.5	Very low	35	Very low	67.4 Å²	67.4	136.2 Å²	136.2	70%	0.695	77%	0.774	S	S	*	*				152.9	129.4	112.3	0	0	0	0	0	113.5
2125	Q	35.8	Very low	34.8	Very low	204.4 Å²	204.4	134.7 Å²	134.7	96%	0.955	76%	0.764	S	S	*	*			trans	78.6	139.5	153.3	-88.8	-172.7	17.9	0	0	114.5
2126	G	37.3	Very low	34.3	Very low	80.8 Å²	80.8	138.3 Å²	138.3	83%	0.833	76%	0.764	S	S	*	*			cis	138.6	128.8	12.9	0	0	0	0	0	112.1
2127	G	35.6	Very low	34	Very low	70.8 Å²	70.8	140.5 Å²	140.5	73%	0.73	76%	0.762	S	S	*	*				147.7	114.3	129.4	0	0	0	0	0	116.8
2128	L	33.2	Very low	33.9	Very low	167.4 Å²	167.4	139.6 Å²	139.6	88%	0.876	76%	0.756	S	S	*	*			trans	55.4	135.7	149.8	-53.1	175.8	0	0	0	118.7
2129	H	33.3	Very low	33.7	Very low	152.2 Å²	152.2	136.5 Å²	136.5	71%	0.705	75%	0.746	S	S	*	*				124.9	143.7	79.3	102.8	93.6	0	0	0	115.3
2130	N	31.2	Very low	33.8	Very low	126.4 Å²	126.4	136.4 Å²	136.4	68%	0.676	75%	0.745	S	S	*	*			trans	39.4	132	145	-64.9	-10	0	0	0	118.7
2131	Q	30.5	Very low	33.6	Very low	163.8 Å²	163.8	134.7 Å²	134.7	77%	0.765	74%	0.738	S	S	*	*				134.9	145.1	70.8	-74.8	-71.5	12	0	0	110.4
2132	P	33.7	Very low	33.6	Very low	109.2 Å²	109.2	134.8 Å²	134.8	71%	0.709	74%	0.744	S	S	*	*			trans	-111.7	149.3	-134.9	36.7	-27.8	0	0	0	112.8
2133	V	31.5	Very low	33.2	Very low	130.6 Å²	130.6	133.6 Å²	133.6	79%	0.792	74%	0.742	S	S	*	*			trans	-149.7	131.2	175.2	-168.2	0	0	0	0	111.8	V2135	V2133-V2135 HydrophobicContact CG1-CG2 3.66Å
2134	H	32	Very low	33.4	Very low	166.6 Å²	166.6	131 Å²	131	77%	0.771	74%	0.74	S	S	*	*			trans	-58.7	144.5	161.5	-128.5	-98.1	0	0	0	113.3
2135	V	30.5	Very low	33.1	Very low	94.6 Å²	94.6	134.6 Å²	134.6	57%	0.573	74%	0.744	S	S	*	*			trans	138.2	137.3	161.6	173.3	0	0	0	0	112.8	V2133	V2133-V2135 HydrophobicContact CG1-CG2 3.66Å
2136	Y	29.3	Very low	32.9	Very low	194.2 Å²	194.2	129.2 Å²	129.2	76%	0.762	73%	0.729	S	S	*	*			trans	163.4	145.4	132.9	-75.8	-82.9	0	0	0	113.5
2137	Q	29.5	Very low	32.7	Very low	155.2 Å²	155.2	134.7 Å²	134.7	73%	0.725	73%	0.725	S	S	*	*				117	137.9	76.4	-161.5	130.5	50	0	0	111.7
2138	T	31	Very low	32.5	Very low	97.4 Å²	97.4	138.4 Å²	138.4	60%	0.598	72%	0.723	S	S	*	*				76.4	136.5	129	-44	0	0	0	0	113.4	H2140	T2138-H2140 VanDerWaalsContact CG2-CD2 3.42Å; T2138-H2140 WeakPolarHBondContact CG2-CD2 3.35Å; T2138-H2140 WeakPolarHBondContact CG2-NE2 3.46Å
2139	D	33.9	Very low	32.5	Very low	119.4 Å²	119.4	139 Å²	139	64%	0.639	72%	0.719	S	S	*	*			cis	-179.6	160	39.5	-109.7	-39.9	0	0	0	116.8
2140	H	32.4	Very low	32.6	Very low	152.2 Å²	152.2	137.6 Å²	137.6	71%	0.705	72%	0.721	S	S	*	*			trans	80.5	140.9	152.3	-59	-17.9	0	0	0	119.6	T2138	T2138-H2140 VanDerWaalsContact CG2-CD2 3.42Å; T2138-H2140 WeakPolarHBondContact CG2-CD2 3.35Å; T2138-H2140 WeakPolarHBondContact CG2-NE2 3.46Å
2141	I	32.8	Very low	32.7	Very low	146 Å²	146	134.6 Å²	134.6	75%	0.749	72%	0.72	S	S	*	*				156.9	128.6	92.3	-82.8	164.6	0	0	0	113.7
2142	T	35.1	Very low	32.9	Very low	123.4 Å²	123.4	135.7 Å²	135.7	76%	0.757	73%	0.725	S	S	*	*			trans	106.4	126.9	138.3	-32.1	0	0	0	0	117.8
2143	S	33.3	Very low	33.3	Very low	107.6 Å²	107.6	135 Å²	135	75%	0.752	72%	0.72	S	S	*	*			trans	9.6	163.9	140.2	-47.7	0	0	0	0	117.1
2144	P	41	Very low	33.3	Very low	120.4 Å²	120.4	135.7 Å²	135.7	78%	0.782	72%	0.719	S	S	*	*			cis	-126.3	163.9	36.7	29.4	-9.8	0	0	0	114.8
2145	N	32.3	Very low	33.5	Very low	143 Å²	143	133.1 Å²	133.1	77%	0.765	72%	0.72	S	S	*	*				72.8	127.5	90.1	-140.5	8.7	0	0	0	115.7
2146	S	31.2	Very low	33.8	Very low	92.8 Å²	92.8	136.2 Å²	136.2	65%	0.649	73%	0.732	S	S	*	*			cis	107.2	133.3	49.5	-111	0	0	0	0	116.1
2147	R	32.6	Very low	34.1	Very low	196.2 Å²	196.2	132.3 Å²	132.3	74%	0.74	73%	0.734	S	S	*	*				162	126.7	108.8	-87.6	162.3	-171.5	-89.9	5.2	115.5	F2149	R2147-F2149 HydrophobicContact CB-CD2 4.41Å; R2147-F2149 VanDerWaalsContact NH1-CE2 3.3Å
2148	Q	31.5	Very low	34.5	Very low	148.2 Å²	148.2	131.3 Å²	131.3	69%	0.693	74%	0.74	S	S	*	*				36.1	125.7	105.4	-65.1	-179.1	-28.2	0	0	116.1
2149	F	33.4	Very low	34.8	Very low	178.8 Å²	178.8	129.9 Å²	129.9	78%	0.784	75%	0.746	S	S	*	*				-147.7	144.2	98.1	-102.7	-85.8	0	0	0	111.5	R2147	R2147-F2149 HydrophobicContact CB-CD2 4.41Å; R2147-F2149 VanDerWaalsContact NH1-CE2 3.3Å
2150	T	34.8	Very low	35	Very low	123.8 Å²	123.8	130.8 Å²	130.8	76%	0.76	76%	0.755	S	S	*	*			trans	-55	137.8	158.1	56.7	0	0	0	0	115
2151	G	33.4	Very low	35.1	Very low	62.4 Å²	62.4	130.8 Å²	130.8	64%	0.643	76%	0.76	S	S	*	*			trans	126.6	112.7	144.8	0	0	0	0	0	118.6
2152	H	36.1	Very low	35.2	Very low	188.6 Å²	188.6	134.6 Å²	134.6	87%	0.873	76%	0.764	S	S	*	*			trans	93.8	160.5	142.2	-65.5	-65.1	0	0	0	115.5
2153	P	41.2	Very low	35.3	Very low	93.4 Å²	93.4	137.4 Å²	137.4	61%	0.606	77%	0.766	S	S	*	*				-131.2	-176.1	-90.8	41.9	-26.7	0	0	0	117	A1382	A1382-P2153 HydrophobicContact CB-CG 4.02Å
2154	N	33	Very low	35.3	Very low	145.6 Å²	145.6	140.1 Å²	140.1	78%	0.779	77%	0.772	S	S	*	*			trans	72	118.3	155.4	-60.5	-18.6	0	0	0	120.6
2155	S	35.2	Very low	35	Very low	111.6 Å²	111.6	140.4 Å²	140.4	78%	0.78	78%	0.777	S	S	*	*			trans	152.1	118.9	133.4	-167.3	0	0	0	0	115.5
2156	L	35.8	Very low	35.1	Very low	159.4 Å²	159.4	136.7 Å²	136.7	84%	0.835	77%	0.773	S	S	*	*			trans	71.7	117.4	146.1	-69.6	162.4	0	0	0	117.7
2157	S	37.2	Very low	35.3	Very low	113.8 Å²	113.8	137.3 Å²	137.3	80%	0.796	78%	0.778	S	S	*	*			trans	82.8	146.6	134.1	-69.5	0	0	0	0	118.6
2158	P	37.2	Very low	35.5	Very low	133.2 Å²	133.2	136.4 Å²	136.4	87%	0.865	78%	0.782	S	S	*	*			trans	-107.1	148	-161.6	37.2	-29.8	0	0	0	114.4
2159	G	37.5	Very low	35.6	Very low	68.8 Å²	68.8	137.3 Å²	137.3	71%	0.709	79%	0.786	S	S	*	*			trans	175.6	120	164.7	0	0	0	0	0	116.9
2160	V	38.8	Very low	35.8	Very low	137.4 Å²	137.4	134.9 Å²	134.9	83%	0.833	79%	0.785	S	S	*	*			trans	62.1	99	155.8	-164.7	0	0	0	0	118	R2162	V2160-R2162 PolarHBondContact O-N 3.35Å
2161	L	34.2	Very low	35.9	Very low	153 Å²	153	135.5 Å²	135.5	80%	0.801	78%	0.783	S	S	*	*			trans	-98.8	113.2	147.2	-74.3	174.5	0	0	0	113.4	F2163	L2161-F2163 HydrophobicContact CB-CE2 4.16Å; L2161-F2163 HydrophobicContact CB-CZ 4.33Å; L2161-F2163 HydrophobicContact CD1-CZ 4.1Å; L2161-F2163 HydrophobicContact CD2-CE2 4.48Å
2162	R	35.4	Very low	36	Very low	225.4 Å²	225.4	139.8 Å²	139.8	85%	0.851	79%	0.79	S	S	*	*			trans	-79.1	126.5	152.7	-79.4	-178.6	166.9	-178.6	-5	112	V2160 N2164	V2160-R2162 PolarHBondContact O-N 3.35Å; R2162-N2164 PolarHBondContact O-N 3.18Å
2163	F	35.5	Very low	35.8	Very low	182.4 Å²	182.4	141.4 Å²	141.4	80%	0.8	79%	0.789	S	S	*	*			trans	-80	112.6	160.6	-67	-71.7	0	0	0	112.3	L2161 S2165	L2161-F2163 HydrophobicContact CB-CE2 4.16Å; L2161-F2163 HydrophobicContact CB-CZ 4.33Å; L2161-F2163 HydrophobicContact CD1-CZ 4.1Å; L2161-F2163 HydrophobicContact CD2-CE2 4.48Å; F2163-S2165 PolarHBondContact O-N 2.9Å
2164	N	33.8	Very low	35.4	Very low	163 Å²	163	142.7 Å²	142.7	87%	0.872	80%	0.798	S	S	*	*			trans	-109.9	144.1	147.5	-102.3	13.7	0	0	0	109	R2162	R2162-N2164 PolarHBondContact O-N 3.18Å
2165	S	34.3	Very low	35.4	Very low	127.8 Å²	127.8	140.9 Å²	140.9	89%	0.894	80%	0.797	S	S	*	*			trans	-105.2	121	-175.7	-127.7	0	0	0	0	112.7	F2163	F2163-S2165 PolarHBondContact O-N 2.9Å
2166	G	34.2	Very low	35.4	Very low	66 Å²	66	141.6 Å²	141.6	68%	0.68	80%	0.797	S	S	*	*			trans	-149.7	141.3	154.8	0	0	0	0	0	109.8
2167	S	36.2	Very low	35.3	Very low	105.4 Å²	105.4	142.3 Å²	142.3	74%	0.737	80%	0.796	S	S	*	*				-146.3	146.8	70.9	46.9	0	0	0	0	111.6
2168	E	36.3	Very low	35.1	Very low	176 Å²	176	144.4 Å²	144.4	82%	0.822	80%	0.797	S	S	*	*				-174.3	160	119.6	-77.2	164.8	143.7	0	0	114.4
2169	E	34	Very low	34.9	Very low	167.8 Å²	167.8	146.6 Å²	146.6	78%	0.784	80%	0.796	S	S	*	*			trans	-63.3	125	178.1	-68.3	-174.9	150.5	0	0	115.2	I2171	E2169-I2171 PolarHBondContact O-N 3.05Å; E2169-I2171 VanDerWaalsContact O-N 3.15Å
2170	V	37.5	Very low	34.8	Very low	127.2 Å²	127.2	149.7 Å²	149.7	77%	0.771	80%	0.796	S	S	*	*			trans	-101.1	113.2	153.5	-179.5	0	0	0	0	111.3	L2172	V2170-L2172 HydrophobicContact CG1-CG 4.36Å; V2170-L2172 PolarHBondContact O-N 3.26Å; V2170-L2172 VanDerWaalsContact O-N 3.13Å
2171	I	36.2	Very low	34.8	Very low	137.6 Å²	137.6	148.4 Å²	148.4	71%	0.706	79%	0.79	S	S	*	*			trans	-92.3	110.8	165.7	-66.6	164.8	0	0	0	109.7	E2169 R2173	E2169-I2171 PolarHBondContact O-N 3.05Å; E2169-I2171 VanDerWaalsContact O-N 3.15Å; I2171-R2173 HydrophobicContact CG2-CG 4.2Å
2172	L	36.7	Very low	34.9	Very low	151.8 Å²	151.8	147.7 Å²	147.7	80%	0.795	79%	0.788	S	S	*	*			trans	-105.5	107.6	157.1	-68	177	0	0	0	111.5	V2170 C2174	V2170-L2172 HydrophobicContact CG1-CG 4.36Å; V2170-L2172 PolarHBondContact O-N 3.26Å; V2170-L2172 VanDerWaalsContact O-N 3.13Å; L2172-C2174 PolarHBondContact O-N 3.12Å
2173	R	32.3	Very low	34.8	Very low	223.6 Å²	223.6	143.9 Å²	143.9	84%	0.844	78%	0.784	S	S	*	*			trans	-80.3	117.6	137.1	-77.8	-176.9	171.3	-162.4	-3.5	111.4	I2171	I2171-R2173 HydrophobicContact CG2-CG 4.2Å
2174	C	32.1	Very low	34.9	Very low	119.6 Å²	119.6	140.7 Å²	140.7	81%	0.808	78%	0.779	S	S	*	*			trans	-122.3	88.9	153.7	-75.2	0	0	0	0	111.9	L2172	L2172-C2174 PolarHBondContact O-N 3.12Å
2175	S	32.5	Very low	35	Very low	108.2 Å²	108.2	140.1 Å²	140.1	76%	0.757	78%	0.775	S	S	*	*			trans	-103.8	122.4	154.4	-69.3	0	0	0	0	109.1	E2177	S2175-E2177 PolarHBondContact O-N 2.68Å
2176	T	34.9	Very low	35.1	Very low	126.8 Å²	126.8	139 Å²	139	78%	0.778	77%	0.767	S	S	*	*			trans	-113.8	94.5	166.3	-10.4	0	0	0	0	111.7
2177	E	34.1	Very low	35.6	Very low	174.2 Å²	174.2	141 Å²	141	81%	0.814	77%	0.768	S	S	*	*			trans	-81	142.6	158.5	-72.8	-174.2	103.6	0	0	113.5	S2175 Q2179	S2175-E2177 PolarHBondContact O-N 2.68Å; E2177-Q2179 PolarHBondContact O-N 2.9Å
2178	L	33.7	Very low	35.7	Very low	158 Å²	158	143.2 Å²	143.2	83%	0.827	77%	0.771	S	S	*	*			trans	-73.2	123.7	171.1	-68.9	163.6	0	0	0	113.8
2179	Q	33.7	Very low	35.9	Very low	179.2 Å²	179.2	140.1 Å²	140.1	84%	0.837	77%	0.767	S	S	*	*			trans	-167.5	108.7	161.3	-141.2	78.5	68	0	0	114.2	E2177	E2177-Q2179 PolarHBondContact O-N 2.9Å
2180	N	34	Very low	36	Very low	133.2 Å²	133.2	140 Å²	140	71%	0.712	77%	0.768	S	S	*	*			trans	-41.7	137.4	148.7	-149.2	14.1	0	0	0	113.9	N2182	N2180-N2182 PolarHBondContact OD1-ND2 3.05Å
2181	P	39.1	Very low	36.2	Very low	109.2 Å²	109.2	144.8 Å²	144.8	71%	0.709	77%	0.772	S	S	*	*			trans	-101.5	138.7	174.2	36.5	-28.6	0	0	0	113.2
2182	N	35.8	Very low	36.2	Very low	140.2 Å²	140.2	143.5 Å²	143.5	75%	0.75	78%	0.775	S	S	*	*			trans	-147	123.8	159.2	-88.9	-56	0	0	0	112.7	N2180	N2180-N2182 PolarHBondContact OD1-ND2 3.05Å
2183	N	34.1	Very low	36.9	Very low	144.6 Å²	144.6	141.7 Å²	141.7	77%	0.773	77%	0.773	S	S	*	*			trans	-150.6	153.9	133.2	-132	-15.2	0	0	0	113.4
2184	V	37.4	Very low	37	Very low	115.2 Å²	115.2	137.3 Å²	137.3	70%	0.698	77%	0.766	S	S	*	*			trans	77.3	119.1	152.9	-168	0	0	0	0	115.3
2185	I	37.1	Very low	37.4	Very low	151.4 Å²	151.4	138.7 Å²	138.7	78%	0.776	76%	0.762	S	S	*	*			trans	82.8	104.7	131.2	-63.4	160.8	0	0	0	115.2
2186	S	35.6	Very low	37.7	Very low	102.8 Å²	102.8	141.5 Å²	141.5	72%	0.719	76%	0.764	S	S	*	*				-2.9	161	119.9	-114.6	0	0	0	0	115.5
2187	P	44.4	Very low	37.9	Very low	108.8 Å²	108.8	138.5 Å²	138.5	71%	0.706	76%	0.758	S	S	*	*			cis	-142.7	174.3	7.6	36.6	-14.9	0	0	0	116.9
2188	N	37.8	Very low	38.1	Very low	151.4 Å²	151.4	137.6 Å²	137.6	81%	0.81	76%	0.759	S	S	*	*			trans	41	162.1	152.9	-76	-29	0	0	0	117.1
2189	P	42.1	Very low	38.5	Very low	111.4 Å²	111.4	134.7 Å²	134.7	72%	0.723	75%	0.747	S	S	*	*			trans	-131.4	167.5	174.8	36.8	-20.4	0	0	0	114.7
2190	M	35.9	Very low	38.8	Very low	165.2 Å²	165.2	134.1 Å²	134.1	81%	0.814	74%	0.744	S	S	*	*			trans	94.1	136.9	156.2	-67.2	-148.3	81.8	0	0	116.3
2191	R	40.4	Very low	38.8	Very low	229.4 Å²	229.4	135.5 Å²	135.5	87%	0.866	75%	0.746	S	S	*	*				154.9	130.5	104.2	-113.3	177.7	-179.3	-177.6	-1	115	P2193	R2191-P2193 WeakPolarHBondContact O-CD 3.43Å
2192	S	37.1	Very low	38.7	Very low	109.4 Å²	109.4	135.8 Å²	135.8	77%	0.765	75%	0.746	S	S	*	*			trans	-102.8	-178.7	155.1	-21.4	0	0	0	0	109.5
2193	P	50.1	Low	38.6	Very low	114.4 Å²	114.4	134.4 Å²	134.4	74%	0.743	74%	0.742	S	S	*	*			cis	-122.1	-159.2	-41.1	31.1	-12.3	0	0	0	110.9	R2191	R2191-P2193 WeakPolarHBondContact O-CD 3.43Å
2194	N	34.6	Very low	38.7	Very low	130.8 Å²	130.8	134.3 Å²	134.3	70%	0.699	74%	0.741	S	S	*	*			trans	113.8	164.9	155.8	-111.1	15.8	0	0	0	113.8	E2196	N2194-E2196 PolarHBondContact ND2-OE2 3.14Å
2195	M	41	Very low	38.4	Very low	148.8 Å²	148.8	135.3 Å²	135.3	73%	0.733	74%	0.742	S	S	*	*			trans	166.2	178.8	-162.6	-74.9	-70.2	179.2	0	0	111.8
2196	E	38.4	Very low	38.4	Very low	167.6 Å²	167.6	139 Å²	139	78%	0.783	75%	0.747	S	S	*	*			cis	153.4	150.3	-12.4	-99.9	163.5	128.4	0	0	111.6	N2194 N2198	N2194-E2196 PolarHBondContact ND2-OE2 3.14Å; E2196-N2198 PolarHBondContact OE1-ND2 3.19Å
2197	G	39.6	Very low	38.6	Very low	63.4 Å²	63.4	139.3 Å²	139.3	65%	0.654	75%	0.745	S	S	*	*			cis	162.9	168.8	2.1	0	0	0	0	0	113.2
2198	N	39.1	Very low	38.1	Very low	156.2 Å²	156.2	138.6 Å²	138.6	84%	0.835	74%	0.744	S	S	*	*			trans	75.7	137.9	152.6	-71.3	-16.8	0	0	0	117.8	E2196	E2196-N2198 PolarHBondContact OE1-ND2 3.19Å
2199	T	40.7	Very low	38	Very low	96 Å²	96	139.5 Å²	139.5	59%	0.589	74%	0.743	S	S	*	*			cis	-169.3	160.4	-1	-82.5	0	0	0	0	110.6
2200	H	39.8	Very low	37.6	Very low	165.8 Å²	165.8	141.5 Å²	141.5	77%	0.768	74%	0.743	S	S	*	*			trans	78	113.4	166	-54.8	-54.1	0	0	0	118.5
2201	H	34.2	Very low	37.4	Very low	164.25 Å²	164.25	139.9 Å²	139.9	76%	0.76	74%	0.737	S	S	*	*				87.7	130.6	87.3	-107.3	-133.2	0	0	0	116.6
2202	V	36.6	Very low	37	Very low	115 Å²	115	135.5 Å²	135.5	70%	0.697	73%	0.729	S	S	*	*				-177.8	116.9	60.2	154.9	0	0	0	0	112.2
2203	V	34.1	Very low	36.8	Very low	110.25 Å²	110.25	137.1 Å²	137.1	67%	0.668	73%	0.729	S	S	*	*				57.9	121	115.9	-175.6	0	0	0	0	118.9
2204	L	36.1	Very low	36	Very low	143.5 Å²	143.5	137.3 Å²	137.3	75%	0.751	73%	0.73	S	S	*	*			trans	129.1	125.6	138.2	-97.8	115.2	0	0	0	116.1
2205	N	31.3	Very low	35.7	Very low	136 Å²	136	136.2 Å²	136.2	73%	0.727	73%	0.731	S	S	*	*			trans	71.8	122.8	138.1	-82.3	-3.1	0	0	0	119.1
2206	R	36.6	Very low	35.2	Very low	229.5 Å²	229.5	135.3 Å²	135.3	87%	0.866	74%	0.735	S	S	*	*				73	163.9	92.8	-124.5	-174.5	173.1	-155.2	-0.7	115
2207	P	41.5	Very low	34.9	Very low	107.25 Å²	107.25	131.8 Å²	131.8	70%	0.696	73%	0.734	S	S	*	*				-113.1	-162.7	-69.8	36.5	-21.9	0	0	0	112.7
2208	S	34.1	Very low	34.6	Very low	96 Å²	96	134.3 Å²	134.3	67%	0.671	74%	0.742	S	S	*	*			cis	166.7	139	-4	60.6	0	0	0	0	112.5
2209	Q	34.7	Very low	34.3	Very low	169 Å²	169	133.8 Å²	133.8	79%	0.79	74%	0.739	S	S	*	*			trans	137.5	142.3	135.1	-79.6	-147.9	99	0	0	112.3
2210	Q	33.7	Very low	34.1	Very low	154.75 Å²	154.75	136.5 Å²	136.5	72%	0.723	75%	0.75	S	S	*	*				91.8	152.7	95.6	-67.8	-176.2	3.6	0	0	114.9
2211	N	31.8	Very low	34	Very low	130.75 Å²	130.75	134 Å²	134	70%	0.699	75%	0.746	S	S	*	*				142.6	152.9	72.6	-125.2	-9.3	0	0	0	117.9
2212	I	33	Very low	34	Very low	136.5 Å²	136.5	134.1 Å²	134.1	70%	0.7	75%	0.747	S	S	*	*			trans	56.5	126.3	152	-35.8	167.1	0	0	0	117
2213	L	31.4	Very low	33.9	Very low	143.25 Å²	143.25	135.9 Å²	135.9	75%	0.75	75%	0.752	S	S	*	*				175.9	143.4	62.5	-102.4	174	0	0	0	113.5	C2215	L2213-C2215 HydrophobicContact CD2-CB 3.86Å; L2213-C2215 PolarHBondContact O-N 3.44Å
2214	P	34.3	Very low	33.7	Very low	119 Å²	119	135.4 Å²	135.4	77%	0.773	75%	0.753	S	S	*	*			trans	-101	137.9	-178.6	37.8	-30.9	0	0	0	113.4	T2216	P2214-T2216 PolarHBondContact O-N 3.1Å
2215	C	27.4	Very low	33.5	Very low	107 Å²	107	137.7 Å²	137.7	72%	0.723	76%	0.761	S	S	*	*			trans	-129.6	118.1	173.6	55	0	0	0	0	112.1	L2213	L2213-C2215 HydrophobicContact CD2-CB 3.86Å; L2213-C2215 PolarHBondContact O-N 3.44Å
2216	T	30.2	Very low	33.6	Very low	130.75 Å²	130.75	136.6 Å²	136.6	80%	0.802	76%	0.76	S	S	*	*				16.7	139.6	96.3	57.7	0	0	0	0	117.3	P2214	P2214-T2216 PolarHBondContact O-N 3.1Å
2217	A	32.4	Very low	33.5	Very low	93.75 Å²	93.75	132.3 Å²	132.3	78%	0.775	75%	0.754	S	S	*	*			trans	107.8	126	148.8	0	0	0	0	0	114.4
2218	S	33.5	Very low	33	Very low	115.75 Å²	115.75	131.9 Å²	131.9	81%	0.809	75%	0.754	S	S	*	*			trans	-158.3	112.6	146.1	-128.1	0	0	0	0	112.2	N2220	S2218-N2220 PolarHBondContact O-N 3.05Å
2219	N	33.2	Very low	33.2	Very low	145.5 Å²	145.5	133.3 Å²	133.3	78%	0.778	75%	0.754	S	S	*	*			trans	-39.4	121.6	160.4	-35.1	-34.3	0	0	0	114
2220	N	36.9	Very low	33.4	Very low	152.5 Å²	152.5	128.8 Å²	128.8	82%	0.816	74%	0.741	S	S	*	*			trans	-146.8	126.2	144.9	-156	-7	0	0	0	111	S2218 Q2222	S2218-N2220 PolarHBondContact O-N 3.05Å; N2220-Q2222 PolarHBondContact O-N 3.34Å
2221	T	36.1	Very low	33.8	Very low	113 Å²	113	128.4 Å²	128.4	69%	0.693	74%	0.744	S	S	*	*			trans	-74.9	89.5	-175.2	-26.1	0	0	0	0	113.6	L2223	T2221-L2223 HydrophobicContact CG2-CG 4.2Å; T2221-L2223 PolarHBondContact O-N 2.91Å; T2221-L2223 VanDerWaalsContact O-N 3.07Å
2222	Q	35.4	Very low	34.3	Very low	166.25 Å²	166.25	128.1 Å²	128.1	78%	0.777	75%	0.747	S	S	*	*			trans	-107.8	118.1	149.5	-92	-171	20.7	0	0	112.6	N2220 C2224	N2220-Q2222 PolarHBondContact O-N 3.34Å; Q2222-C2224 VanDerWaalsContact C-N 3.27Å; Q2222-C2224 PolarHBondContact O-N 3.23Å
2223	L	33.3	Very low	34.5	Very low	153.75 Å²	153.75	125.3 Å²	125.3	81%	0.805	74%	0.739	S	S	*	*			trans	-5.9	89.1	158.7	-63	173.1	0	0	0	113.6	T2221 M2225	T2221-L2223 HydrophobicContact CG2-CG 4.2Å; T2221-L2223 PolarHBondContact O-N 2.91Å; T2221-L2223 VanDerWaalsContact O-N 3.07Å; L2223-M2225 PolarHBondContact O-N 3.05Å; L2223-M2225 VanDerWaalsContact O-N 3.09Å
2224	C	30.2	Very low	34.9	Very low	100.25 Å²	100.25	125.6 Å²	125.6	68%	0.677	74%	0.741	S	S	*	*			trans	-95.4	117	147.7	60.6	0	0	0	0	112.1	Q2222 T2226	Q2222-C2224 VanDerWaalsContact C-N 3.27Å; Q2222-C2224 PolarHBondContact O-N 3.23Å; C2224-T2226 VanDerWaalsContact C-N 3.34Å; C2224-T2226 HydrophobicContact CB-CG2 4.2Å; C2224-T2226 PolarHBondContact O-N 2.89Å; C2224-T2226 VanDerWaalsContact O-N 3.12Å
2225	M	32.9	Very low	34.8	Very low	190.5 Å²	190.5	125.7 Å²	125.7	94%	0.938	75%	0.745	S	S	*	*			trans	-70	100.8	172	-66.8	-178.6	106.9	0	0	109.6	L2223 N2227	L2223-M2225 PolarHBondContact O-N 3.05Å; L2223-M2225 VanDerWaalsContact O-N 3.09Å; M2225-N2227 VanDerWaalsContact C-N 3.27Å; M2225-N2227 PolarHBondContact O-N 3.37Å
2226	T	33	Very low	35	Very low	113 Å²	113	123.1 Å²	123.1	69%	0.693	73%	0.731	S	S	*	*			trans	-76.1	90.3	175.6	43	0	0	0	0	109.9	C2224 S2228	C2224-T2226 VanDerWaalsContact C-N 3.34Å; C2224-T2226 HydrophobicContact CB-CG2 4.2Å; C2224-T2226 PolarHBondContact O-N 2.89Å; C2224-T2226 VanDerWaalsContact O-N 3.12Å; T2226-S2228 PolarHBondContact O-N 2.97Å; T2226-S2228 PolarHBondContact O-OG 3.18Å; T2226-S2228 VanDerWaalsContact O-OG 3.1Å
2227	N	33.6	Very low	35.4	Very low	140 Å²	140	121.7 Å²	121.7	75%	0.749	73%	0.727	S	S	*	*			trans	-67.7	80	171.3	-173.2	4.9	0	0	0	109.6	M2225 N2229	M2225-N2227 VanDerWaalsContact C-N 3.27Å; M2225-N2227 PolarHBondContact O-N 3.37Å; N2227-N2229 PolarHBondContact O-N 3.42Å
2228	S	32.7	Very low	36.4	Very low	97.75 Å²	97.75	128.1 Å²	128.1	68%	0.684	73%	0.731	S	S	*	*			trans	-75.5	54.2	-174.7	-62.2	0	0	0	0	112.3	T2226 S2230	T2226-S2228 PolarHBondContact O-N 2.97Å; T2226-S2228 PolarHBondContact O-OG 3.18Å; T2226-S2228 VanDerWaalsContact O-OG 3.1Å; S2228-S2230 PolarHBondContact O-N 3.26Å; S2228-S2230 PolarHBondContact O-OG 3.45Å
2229	N	37.1	Very low	38.4	Very low	125.25 Å²	125.25	133.1 Å²	133.1	67%	0.67	73%	0.732	S	S	*	*			trans	-73.3	80.9	173.9	-132.2	-9.1	0	0	0	109.5	N2227 N2231	N2227-N2229 PolarHBondContact O-N 3.42Å; N2229-N2231 VanDerWaalsContact C-N 3.3Å; N2229-N2231 PolarHBondContact O-N 3.27Å; N2229-N2231 VanDerWaalsContact O-N 3.13Å
2230	S	39	Very low	40.7	Very low	76.25 Å²	76.25	129.1 Å²	129.1	53%	0.533	71%	0.71	S	S	.	*			trans	-74.1	94.5	-173	56	0	0	0	0	111.6	S2228 V2232 S2233	S2228-S2230 PolarHBondContact O-N 3.26Å; S2228-S2230 PolarHBondContact O-OG 3.45Å; S2230-V2232 PolarHBondContact O-N 3.01Å; S2230-S2233 WeakPolarHBondContact O-CB 3.29Å; S2230-S2233 PolarHBondContact O-N 3.19Å; S2230-S2233 PolarHBondContact O-OG 3.16Å; S2230-S2233 VanDerWaalsContact O-OG 3.09Å
2231	N	41.7	Very low	43.3	Very low	146.5 Å²	146.5	126.4 Å²	126.4	78%	0.783	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	19.6	179	-82.3	-37.4	0	0	0	115.1	N2229 S2233	N2229-N2231 VanDerWaalsContact C-N 3.3Å; N2229-N2231 PolarHBondContact O-N 3.27Å; N2229-N2231 VanDerWaalsContact O-N 3.13Å; N2231-S2233 VanDerWaalsContact C-N 3.33Å
2232	V	42.3	Very low	46	Very low	123.5 Å²	123.5	126 Å²	126	75%	0.748	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-8.2	174.7	-68.8	0	0	0	0	113.6	S2230 N2234	S2230-V2232 PolarHBondContact O-N 3.01Å; V2232-N2234 VanDerWaalsContact C-N 3.29Å; V2232-N2234 PolarHBondContact O-N 3.07Å
2233	S	38	Very low	48.8	Very low	77.75 Å²	77.75	123.9 Å²	123.9	54%	0.544	67%	0.672	S	S	.	*	G	3₁₀ helix	trans	-83.5	4.5	-176.3	-64.1	0	0	0	0	115.5	S2230 N2231 S2235 A2236	S2230-S2233 WeakPolarHBondContact O-CB 3.29Å; S2230-S2233 PolarHBondContact O-N 3.19Å; S2230-S2233 PolarHBondContact O-OG 3.16Å; S2230-S2233 VanDerWaalsContact O-OG 3.09Å; N2231-S2233 VanDerWaalsContact C-N 3.33Å; S2233-S2235 PolarHBondContact O-N 2.98Å; S2233-A2236 VanDerWaalsContact O-CB 3.27Å; S2233-A2236 WeakPolarHBondContact O-CB 3.34Å; S2233-A2236 PolarHBondContact O-N 3.1Å
2234	N	40	Very low	51.7	Low	149.25 Å²	149.25	120.5 Å²	120.5	80%	0.798	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-67.9	-8.9	-170.8	-129.7	2.4	0	0	0	114.9	V2232 A2236 S2237	V2232-N2234 VanDerWaalsContact C-N 3.29Å; V2232-N2234 PolarHBondContact O-N 3.07Å; N2234-A2236 VanDerWaalsContact C-N 3.3Å; N2234-S2237 WeakPolarHBondContact O-CB 3.39Å
2235	S	31.8	Very low	54.9	Low	121.25 Å²	121.25	117 Å²	117	85%	0.848	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-86.8	-2.8	169.8	-64.5	0	0	0	0	114.1	S2233 S2237	S2233-S2235 PolarHBondContact O-N 2.98Å; S2235-S2237 VanDerWaalsContact C-N 3.29Å; S2235-S2237 PolarHBondContact O-N 3.1Å
2236	A	32.3	Very low	58	Low	53.25 Å²	53.25	111.7 Å²	111.7	44%	0.44	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-80.3	13.3	178.3	0	0	0	0	0	114.1	S2233 N2234 R2238 R2239	S2233-A2236 VanDerWaalsContact O-CB 3.27Å; S2233-A2236 WeakPolarHBondContact O-CB 3.34Å; S2233-A2236 PolarHBondContact O-N 3.1Å; N2234-A2236 VanDerWaalsContact C-N 3.3Å; A2236-R2238 PolarHBondContact O-N 3.24Å; A2236-R2239 PolarHBondContact O-N 3.01Å; A2236-R2239 VanDerWaalsContact O-N 3.14Å
2237	S	38.7	Very low	61	Low	101.5 Å²	101.5	110.9 Å²	110.9	71%	0.71	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	1.9	-171	-163.6	0	0	0	0	116.4	N2234 S2235 R2239	N2234-S2237 WeakPolarHBondContact O-CB 3.39Å; S2235-S2237 VanDerWaalsContact C-N 3.29Å; S2235-S2237 PolarHBondContact O-N 3.1Å; S2237-R2239 VanDerWaalsContact C-N 3.32Å; S2237-R2239 PolarHBondContact O-N 3.47Å
2238	R	53.8	Low	64	Low	226.75 Å²	226.75	104.4 Å²	104.4	86%	0.856	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	0.4	173.9	-73.8	-170.4	-94.8	-117.4	-0.7	115.1	Y1945 A2236	Y1945-R2238 PolarHBondContact OH-NH2 3.36Å; A2236-R2238 PolarHBondContact O-N 3.24Å
2239	R	74.4	Confident	67	Low	220.5 Å²	220.5	100 Å²	100	83%	0.832	52%	0.519	S	S	*	.	S	Bend	trans	-99	132	174	-68.6	-177	131.4	168.6	-0.3	110.1	A2236 S2237 N2241	A2236-R2239 PolarHBondContact O-N 3.01Å; A2236-R2239 VanDerWaalsContact O-N 3.14Å; S2237-R2239 VanDerWaalsContact C-N 3.32Å; S2237-R2239 PolarHBondContact O-N 3.47Å; R2239-N2241 PolarHBondContact O-N 3.04Å
2240	I	82.6	Confident	69.8	Low	63.25 Å²	63.25	103 Å²	103	32%	0.324	52%	0.521	S	S	.	.			trans	-66.5	120.9	175.7	-64.7	171.7	0	0	0	108.4	Y2242 W2245	I2240-Y2242 HydrophobicContact CB-CE2 4.47Å; I2240-Y2242 HydrophobicContact CG2-CD1 4.03Å; I2240-Y2242 HydrophobicContact CG2-CE1 3.95Å; I2240-Y2242 HydrophobicContact CG2-CE2 4.49Å; I2240-Y2242 HydrophobicContact CG2-CG 4.35Å; I2240-Y2242 PolarHBondContact O-N 3.15Å; I2240-Y2242 VanDerWaalsContact O-N 3.08Å; I2240-W2245 HydrophobicContact CD1-CH2 4.25Å; I2240-W2245 HydrophobicContact CD1-CZ2 4.31Å; I2240-W2245 HydrophobicContact CG1-CZ2 4.37Å; I2240-W2245 HydrophobicContact CG2-CD2 3.93Å; I2240-W2245 HydrophobicContact CG2-CE3 4.42Å; I2240-W2245 HydrophobicContact CG2-CG 4.37Å; I2240-W2245 HydrophobicContact CG2-CH2 4.24Å; I2240-W2245 HydrophobicContact CG2-CZ2 3.73Å; I2240-W2245 HydrophobicContact CG2-CZ3 4.39Å
2241	N	90.7	Very high	72.5	Confident	95.75 Å²	95.75	102.7 Å²	102.7	51%	0.512	51%	0.513	S	S	.	.			trans	-81.2	96	170.7	-176.4	-24.7	0	0	0	108.7	R2239 H2243 K2244 W2245	R2239-N2241 PolarHBondContact O-N 3.04Å; N2241-H2243 VanDerWaalsContact C-N 3.32Å; N2241-H2243 PolarHBondContact O-N 3.2Å; N2241-H2243 PolarHBondContact OD1-N 2.98Å; N2241-K2244 HydrophobicContact CB-CB 4.16Å; N2241-K2244 PolarHBondContact O-N 3.36Å; N2241-K2244 PolarHBondContact OD1-N 2.96Å; N2241-W2245 VanDerWaalsContact O-CD1 3.23Å; N2241-W2245 PolarHBondContact O-N 3.1Å; N2241-W2245 VanDerWaalsContact O-N 3.11Å
2242	Y	92.8	Very high	75.1	Confident	102.75 Å²	102.75	96.8 Å²	96.8	40%	0.403	49%	0.486	S	S	.	.	H	α-helix	trans	-62.4	-40.9	-179.4	-72.2	-67.4	0	0	0	112.7	I2240 K2244 W2245 E2246 F2277 A2281	I2240-Y2242 HydrophobicContact CB-CE2 4.47Å; I2240-Y2242 HydrophobicContact CG2-CD1 4.03Å; I2240-Y2242 HydrophobicContact CG2-CE1 3.95Å; I2240-Y2242 HydrophobicContact CG2-CE2 4.49Å; I2240-Y2242 HydrophobicContact CG2-CG 4.35Å; I2240-Y2242 PolarHBondContact O-N 3.15Å; I2240-Y2242 VanDerWaalsContact O-N 3.08Å; Y2242-K2244 VanDerWaalsContact C-N 3.31Å; Y2242-K2244 PolarHBondContact O-N 3.42Å; Y2242-W2245 CarbonylContact O-C 3.06Å; Y2242-W2245 WeakPolarHBondContact O-CA 3.29Å; Y2242-W2245 VanDerWaalsContact O-CB 3.32Å; Y2242-W2245 WeakPolarHBondContact O-CB 3.41Å; Y2242-W2245 PolarHBondContact O-N 3.05Å; Y2242-E2246 PolarHBondContact O-N 3.22Å; Y2242-F2277 VanDerWaalsContact O-CE1 3.25Å; Y2242-F2277 WeakPolarHBondContact O-CE1 3.39Å; Y2242-F2277 WeakPolarHBondContact O-CZ 3.45Å; Y2242-A2281 HydrophobicContact CD1-CB 3.6Å; Y2242-A2281 VanDerWaalsContact CD1-CB 3.5Å; Y2242-A2281 HydrophobicContact CE1-CB 3.71Å
2243	H	93.3	Very high	77.7	Confident	122.5 Å²	122.5	92.6 Å²	92.6	57%	0.567	47%	0.469	S	S	*	.	H	α-helix	trans	-60.7	-41.5	177.6	-179.7	52.6	0	0	0	111.8	N2241 W2245 E2246 E2247	N2241-H2243 VanDerWaalsContact C-N 3.32Å; N2241-H2243 PolarHBondContact O-N 3.2Å; N2241-H2243 PolarHBondContact OD1-N 2.98Å; H2243-W2245 VanDerWaalsContact C-N 3.31Å; H2243-W2245 PolarHBondContact O-N 3.2Å; H2243-E2246 IonicContact ND1-OE2 3.66Å; H2243-E2246 VanDerWaalsContact O-CB 3.31Å; H2243-E2246 WeakPolarHBondContact O-CB 3.25Å; H2243-E2246 PolarHBondContact O-N 3.29Å; H2243-E2247 IonicContact CE1-OE1 3.92Å; H2243-E2247 PolarHBondContact O-N 3.21Å; H2243-E2247 VanDerWaalsContact O-N 3.1Å
2244	K	95.5	Very high	80.5	Confident	83 Å²	83	93.1 Å²	93.1	36%	0.361	46%	0.462	S	S	.	.	H	α-helix	trans	-64.6	-32.3	173	-160.3	-144.9	168.6	-56.3	0	112	N2241 Y2242 E2246 E2247 D2248 T2256 I2257	N2241-K2244 HydrophobicContact CB-CB 4.16Å; N2241-K2244 PolarHBondContact O-N 3.36Å; N2241-K2244 PolarHBondContact OD1-N 2.96Å; Y2242-K2244 VanDerWaalsContact C-N 3.31Å; Y2242-K2244 PolarHBondContact O-N 3.42Å; K2244-E2246 VanDerWaalsContact C-N 3.31Å; K2244-E2246 PolarHBondContact O-N 2.94Å; K2244-E2247 PolarHBondContact O-N 2.95Å; K2244-D2248 IonicContact NZ-OD1 3.62Å; K2244-D2248 PolarHBondContact NZ-OD1 3Å; K2244-D2248 IonicContact NZ-OD2 3.62Å; K2244-D2248 PolarHBondContact NZ-OD2 3.29Å; K2244-D2248 VanDerWaalsContact O-CB 3.28Å; K2244-D2248 WeakPolarHBondContact O-CB 3.46Å; K2244-D2248 PolarHBondContact O-N 3.41Å; K2244-D2248 VanDerWaalsContact O-N 3.14Å; K2244-T2256 PolarHBondContact NZ-OG1 3.12Å; K2244-I2257 HydrophobicContact CB-CD1 4.42Å; K2244-I2257 HydrophobicContact CD-CD1 3.82Å; K2244-I2257 HydrophobicContact CD-CG1 4.49Å; K2244-I2257 HydrophobicContact CG-CD1 4.1Å; K2244-I2257 VanDerWaalsContact NZ-CD1 3.28Å; K2244-I2257 VanDerWaalsContact NZ-CG1 3.27Å; K2244-I2257 WeakPolarHBondContact O-CD1 3.29Å
2245	W	97.2	Very high	83.3	Confident	26.25 Å²	26.25	86 Å²	86	10%	0.099	42%	0.424	C	S	.	.	H	α-helix	trans	-70.8	-33	174.5	-76.8	35.4	0	0	0	112.2	I2240 N2241 Y2242 H2243 D2248 E2249 I2257 P2259 V2260 F2277 A2281 I2284 S2285	I2240-W2245 HydrophobicContact CD1-CH2 4.25Å; I2240-W2245 HydrophobicContact CD1-CZ2 4.31Å; I2240-W2245 HydrophobicContact CG1-CZ2 4.37Å; I2240-W2245 HydrophobicContact CG2-CD2 3.93Å; I2240-W2245 HydrophobicContact CG2-CE3 4.42Å; I2240-W2245 HydrophobicContact CG2-CG 4.37Å; I2240-W2245 HydrophobicContact CG2-CH2 4.24Å; I2240-W2245 HydrophobicContact CG2-CZ2 3.73Å; I2240-W2245 HydrophobicContact CG2-CZ3 4.39Å; N2241-W2245 VanDerWaalsContact O-CD1 3.23Å; N2241-W2245 PolarHBondContact O-N 3.1Å; N2241-W2245 VanDerWaalsContact O-N 3.11Å; Y2242-W2245 CarbonylContact O-C 3.06Å; Y2242-W2245 WeakPolarHBondContact O-CA 3.29Å; Y2242-W2245 VanDerWaalsContact O-CB 3.32Å; Y2242-W2245 WeakPolarHBondContact O-CB 3.41Å; Y2242-W2245 PolarHBondContact O-N 3.05Å; H2243-W2245 VanDerWaalsContact C-N 3.31Å; H2243-W2245 PolarHBondContact O-N 3.2Å; W2245-D2248 PolarHBondContact O-N 2.93Å; W2245-E2249 WeakPolarHBondContact O-CB 3.37Å; W2245-E2249 PolarHBondContact O-N 3.1Å; W2245-I2257 VanDerWaalsContact CD1-CD1 3.48Å; W2245-I2257 HydrophobicContact CD2-CG2 4.44Å; W2245-I2257 HydrophobicContact CG-CD1 4.17Å; W2245-I2257 HydrophobicContact CG-CG2 4.47Å; W2245-I2257 HydrophobicContact CZ2-CG2 4.49Å; W2245-P2259 HydrophobicContact CH2-CB 3.59Å; W2245-P2259 HydrophobicContact CH2-CG 3.89Å; W2245-P2259 HydrophobicContact CZ2-CB 3.96Å; W2245-P2259 HydrophobicContact CZ2-CG 3.84Å; W2245-P2259 HydrophobicContact CZ3-CB 4.02Å; W2245-V2260 HydrophobicContact CB-CG2 3.88Å; W2245-V2260 HydrophobicContact CD2-CG2 3.74Å; W2245-V2260 HydrophobicContact CE3-CG2 3.78Å; W2245-V2260 HydrophobicContact CG-CG2 3.81Å; W2245-F2277 VanDerWaalsContact C-CZ 3.47Å; W2245-F2277 HydrophobicContact CB-CE1 4.48Å; W2245-F2277 HydrophobicContact CB-CZ 3.75Å; W2245-A2281 HydrophobicContact CE3-CB 4.45Å; W2245-I2284 HydrophobicContact CE3-CG2 4.07Å; W2245-I2284 HydrophobicContact CH2-CG2 4.47Å; W2245-I2284 HydrophobicContact CZ3-CB 4.19Å; W2245-I2284 HydrophobicContact CZ3-CG2 3.62Å; W2245-S2285 WeakPolarHBondContact CZ3-OG 3.3Å
2246	E	97	Very high	86.4	Confident	78.75 Å²	78.75	81 Å²	81	37%	0.368	39%	0.388	S	S	.	.	H	α-helix	trans	-66.2	-49.9	178.5	-169	169.9	-158.3	0	0	111.7	Y2242 H2243 K2244 D2248 E2249 R2250 F2277	Y2242-E2246 PolarHBondContact O-N 3.22Å; H2243-E2246 IonicContact ND1-OE2 3.66Å; H2243-E2246 VanDerWaalsContact O-CB 3.31Å; H2243-E2246 WeakPolarHBondContact O-CB 3.25Å; H2243-E2246 PolarHBondContact O-N 3.29Å; K2244-E2246 VanDerWaalsContact C-N 3.31Å; K2244-E2246 PolarHBondContact O-N 2.94Å; E2246-D2248 VanDerWaalsContact C-N 3.31Å; E2246-D2248 PolarHBondContact O-N 3.29Å; E2246-E2249 VanDerWaalsContact O-CB 3.31Å; E2246-E2249 WeakPolarHBondContact O-CB 3.35Å; E2246-E2249 PolarHBondContact O-N 3.12Å; E2246-E2249 VanDerWaalsContact O-N 3.14Å; E2246-R2250 WeakPolarHBondContact O-CG 3.25Å; E2246-R2250 PolarHBondContact O-N 3.18Å; E2246-F2277 VanDerWaalsContact CA-CE2 3.41Å; E2246-F2277 VanDerWaalsContact CA-CZ 3.49Å; E2246-F2277 HydrophobicContact CB-CD1 3.81Å; E2246-F2277 HydrophobicContact CB-CD2 4.21Å; E2246-F2277 HydrophobicContact CB-CE1 3.59Å; E2246-F2277 HydrophobicContact CB-CE2 4Å; E2246-F2277 HydrophobicContact CB-CG 4.13Å; E2246-F2277 HydrophobicContact CB-CZ 3.7Å; E2246-F2277 HydrophobicContact CG-CB 4.42Å; E2246-F2277 HydrophobicContact CG-CD1 3.9Å; E2246-F2277 HydrophobicContact CG-CD2 4.06Å; E2246-F2277 HydrophobicContact CG-CE1 4.21Å; E2246-F2277 HydrophobicContact CG-CE2 4.34Å; E2246-F2277 HydrophobicContact CG-CG 3.84Å; E2246-F2277 HydrophobicContact CG-CZ 4.42Å; E2246-F2277 VanDerWaalsContact N-CZ 3.31Å
2247	E	95.9	Very high	89.6	Confident	97.5 Å²	97.5	79.3 Å²	79.3	46%	0.456	37%	0.372	S	S	.	.	H	α-helix	trans	-59.6	-41	173.2	-65.2	-72.4	136.8	0	0	111.8	H2243 K2244 E2249 R2250	H2243-E2247 IonicContact CE1-OE1 3.92Å; H2243-E2247 PolarHBondContact O-N 3.21Å; H2243-E2247 VanDerWaalsContact O-N 3.1Å; K2244-E2247 PolarHBondContact O-N 2.95Å; E2247-E2249 VanDerWaalsContact C-N 3.29Å; E2247-E2249 PolarHBondContact O-N 3.18Å; E2247-R2250 WeakPolarHBondContact O-CB 3.44Å; E2247-R2250 PolarHBondContact O-N 3.19Å; E2247-R2250 VanDerWaalsContact O-N 3.16Å; E2247-R2250 WeakPolarHBondContact OE2-CD 3.43Å; E2247-R2250 IonicContact OE2-NE 3.18Å
2248	D	96.8	Very high	92.4	Very high	3.75 Å²	3.75	74.9 Å²	74.9	2%	0.02	34%	0.341	C	S	.	.	H	α-helix	trans	-68.1	-28.7	178.8	-128	-67.8	0	0	0	112.7	K2244 W2245 E2246 R2250 L2251 S2255 T2256 I2257 V2260	K2244-D2248 IonicContact NZ-OD1 3.62Å; K2244-D2248 PolarHBondContact NZ-OD1 3Å; K2244-D2248 IonicContact NZ-OD2 3.62Å; K2244-D2248 PolarHBondContact NZ-OD2 3.29Å; K2244-D2248 VanDerWaalsContact O-CB 3.28Å; K2244-D2248 WeakPolarHBondContact O-CB 3.46Å; K2244-D2248 PolarHBondContact O-N 3.41Å; K2244-D2248 VanDerWaalsContact O-N 3.14Å; W2245-D2248 PolarHBondContact O-N 2.93Å; E2246-D2248 VanDerWaalsContact C-N 3.31Å; E2246-D2248 PolarHBondContact O-N 3.29Å; D2248-R2250 VanDerWaalsContact C-N 3.31Å; D2248-R2250 PolarHBondContact O-N 2.97Å; D2248-L2251 WeakPolarHBondContact O-CB 3.37Å; D2248-L2251 PolarHBondContact O-N 3.17Å; D2248-S2255 WeakPolarHBondContact O-CB 3.43Å; D2248-S2255 PolarHBondContact O-OG 3.45Å; D2248-S2255 VanDerWaalsContact OD1-C 3.28Å; D2248-S2255 VanDerWaalsContact OD1-CA 3.3Å; D2248-S2255 WeakPolarHBondContact OD1-CA 3.45Å; D2248-S2255 VanDerWaalsContact OD1-CB 3.28Å; D2248-S2255 WeakPolarHBondContact OD1-CB 3.41Å; D2248-S2255 PolarHBondContact OD1-OG 2.98Å; D2248-S2255 VanDerWaalsContact OD2-CA 3.3Å; D2248-S2255 WeakPolarHBondContact OD2-CA 3.46Å; D2248-S2255 VanDerWaalsContact OD2-CB 3.3Å; D2248-S2255 WeakPolarHBondContact OD2-CB 3.21Å; D2248-S2255 PolarHBondContact OD2-OG 3.18Å; D2248-T2256 WeakPolarHBondContact OD1-CA 3.35Å; D2248-T2256 PolarHBondContact OD1-N 3.26Å; D2248-T2256 PolarHBondContact OD1-OG1 3.4Å; D2248-T2256 PolarHBondContact OD2-N 2.85Å; D2248-T2256 PolarHBondContact OD2-OG1 3.2Å; D2248-I2257 HydrophobicContact CB-CB 4.36Å; D2248-I2257 HydrophobicContact CB-CD1 3.76Å; D2248-I2257 HydrophobicContact CB-CG1 4.22Å; D2248-I2257 PolarHBondContact OD1-N 3.1Å; D2248-I2257 WeakPolarHBondContact OD2-CB 3.32Å; D2248-I2257 VanDerWaalsContact OD2-CD1 3.31Å; D2248-I2257 WeakPolarHBondContact OD2-CD1 3.39Å; D2248-I2257 VanDerWaalsContact OD2-CG1 3.23Å; D2248-I2257 WeakPolarHBondContact OD2-CG1 3.39Å; D2248-I2257 PolarHBondContact OD2-N 3.2Å; D2248-V2260 HydrophobicContact CB-CB 4.47Å; D2248-V2260 HydrophobicContact CB-CG1 4.25Å
2249	E	96.4	Very high	94.5	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.019	31%	0.306	C	S	.	.	H	α-helix	trans	-67.2	-36.7	175.2	-157	-164.8	-134.5	0	0	110.6	W2245 E2246 E2247 L2251 G2252 V2260 N2264 R2271 F2277 R2280	W2245-E2249 WeakPolarHBondContact O-CB 3.37Å; W2245-E2249 PolarHBondContact O-N 3.1Å; E2246-E2249 VanDerWaalsContact O-CB 3.31Å; E2246-E2249 WeakPolarHBondContact O-CB 3.35Å; E2246-E2249 PolarHBondContact O-N 3.12Å; E2246-E2249 VanDerWaalsContact O-N 3.14Å; E2247-E2249 VanDerWaalsContact C-N 3.29Å; E2247-E2249 PolarHBondContact O-N 3.18Å; E2249-L2251 PolarHBondContact O-N 3.24Å; E2249-L2251 VanDerWaalsContact O-N 3.17Å; E2249-G2252 PolarHBondContact O-N 3.12Å; E2249-G2252 VanDerWaalsContact O-N 3.12Å; E2249-V2260 VanDerWaalsContact CA-CG1 3.44Å; E2249-V2260 HydrophobicContact CB-CG1 3.83Å; E2249-V2260 HydrophobicContact CG-CG1 4.07Å; E2249-N2264 WeakPolarHBondContact CG-OD1 3.36Å; E2249-N2264 PolarHBondContact O-ND2 3.03Å; E2249-N2264 VanDerWaalsContact O-ND2 3.13Å; E2249-R2271 VanDerWaalsContact CD-NE 3.29Å; E2249-R2271 VanDerWaalsContact CG-NH2 3.31Å; E2249-R2271 VanDerWaalsContact O-CZ 3.24Å; E2249-R2271 PolarHBondContact O-NH1 2.62Å; E2249-R2271 PolarHBondContact O-NH2 3.08Å; E2249-R2271 WeakPolarHBondContact OE1-CG 3.28Å; E2249-R2271 IonicContact OE1-CZ 3.15Å; E2249-R2271 IonicContact OE1-NE 2.83Å; E2249-R2271 PolarHBondContact OE1-NE 3.33Å; E2249-R2271 IonicContact OE1-NH2 3.21Å; E2249-R2271 IonicContact OE2-CZ 2.79Å; E2249-R2271 IonicContact OE2-NE 2.99Å; E2249-R2271 PolarHBondContact OE2-NE 3.21Å; E2249-R2271 IonicContact OE2-NH2 3.4Å; E2249-R2271 PolarHBondContact OE2-NH2 3.24Å; E2249-F2277 HydrophobicContact CB-CE2 4.42Å; E2249-F2277 WeakPolarHBondContact OE2-CD2 3.38Å; E2249-R2280 VanDerWaalsContact CD-NE 3.28Å; E2249-R2280 WeakPolarHBondContact OE1-CD 3.35Å; E2249-R2280 IonicContact OE1-CZ 2.88Å; E2249-R2280 IonicContact OE1-NE 3.4Å; E2249-R2280 PolarHBondContact OE1-NE 2.96Å; E2249-R2280 IonicContact OE1-NH2 3.29Å; E2249-R2280 IonicContact OE2-CZ 3.05Å; E2249-R2280 VanDerWaalsContact OE2-CZ 3.28Å; E2249-R2280 IonicContact OE2-NE 2.89Å; E2249-R2280 PolarHBondContact OE2-NE 2.85Å; E2249-R2280 VanDerWaalsContact OE2-NE 3.12Å; E2249-R2280 IonicContact OE2-NH2 3.35Å; E2249-R2280 PolarHBondContact OE2-NH2 3.08Å
2250	R	95.2	Very high	95.7	Very high	189 Å²	189	54.3 Å²	54.3	71%	0.713	27%	0.266	S	S	*	.	H	α-helix	trans	-62.6	-22.2	177.4	-61.4	171.4	67.1	89.5	1.7	112.7	E2246 E2247 D2248 G2252	E2246-R2250 WeakPolarHBondContact O-CG 3.25Å; E2246-R2250 PolarHBondContact O-N 3.18Å; E2247-R2250 WeakPolarHBondContact O-CB 3.44Å; E2247-R2250 PolarHBondContact O-N 3.19Å; E2247-R2250 VanDerWaalsContact O-N 3.16Å; E2247-R2250 WeakPolarHBondContact OE2-CD 3.43Å; E2247-R2250 IonicContact OE2-NE 3.18Å; D2248-R2250 VanDerWaalsContact C-N 3.31Å; D2248-R2250 PolarHBondContact O-N 2.97Å; R2250-G2252 VanDerWaalsContact C-N 3.28Å; R2250-G2252 PolarHBondContact O-N 3.28Å
2251	L	96.1	Very high	96.4	Very high	69.75 Å²	69.75	51.3 Å²	51.3	37%	0.365	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-10.4	175.3	-57.4	174.7	0	0	0	113.9	D2248 E2249 G2253 Q2254 T2256 L2310	D2248-L2251 WeakPolarHBondContact O-CB 3.37Å; D2248-L2251 PolarHBondContact O-N 3.17Å; E2249-L2251 PolarHBondContact O-N 3.24Å; E2249-L2251 VanDerWaalsContact O-N 3.17Å; L2251-G2253 PolarHBondContact O-N 2.96Å; L2251-Q2254 HydrophobicContact CB-CB 4.28Å; L2251-Q2254 WeakPolarHBondContact O-CB 3.27Å; L2251-Q2254 PolarHBondContact O-N 3.32Å; L2251-T2256 HydrophobicContact CD1-CG2 4.32Å; L2251-L2310 HydrophobicContact CD1-CD1 3.84Å; L2251-L2310 HydrophobicContact CD2-CD1 4.44Å
2252	G	96.5	Very high	96.8	Very high	22.5 Å²	22.5	47.2 Å²	47.2	23%	0.232	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	57.9	-126.7	179.9	0	0	0	0	0	112.1	E2249 R2250 Q2254 S2255 N2264	E2249-G2252 PolarHBondContact O-N 3.12Å; E2249-G2252 VanDerWaalsContact O-N 3.12Å; R2250-G2252 VanDerWaalsContact C-N 3.28Å; R2250-G2252 PolarHBondContact O-N 3.28Å; G2252-Q2254 PolarHBondContact O-N 3.12Å; G2252-Q2254 VanDerWaalsContact O-N 3.1Å; G2252-S2255 WeakPolarHBondContact O-CB 3.45Å; G2252-S2255 PolarHBondContact O-N 3.2Å; G2252-N2264 VanDerWaalsContact CA-ND2 3.27Å; G2252-N2264 WeakPolarHBondContact CA-ND2 3.38Å; G2252-N2264 PolarHBondContact N-ND2 3.26Å; G2252-N2264 WeakPolarHBondContact O-CB 3.4Å; G2252-N2264 PolarHBondContact O-ND2 2.97Å
2253	G	97.3	Very high	97	Very high	36.25 Å²	36.25	42.5 Å²	42.5	37%	0.374	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-66.2	-7.7	175.9	0	0	0	0	0	115.3	L2251 L2261 N2306	L2251-G2253 PolarHBondContact O-N 2.96Å; G2253-L2261 VanDerWaalsContact O-CD1 3.25Å; G2253-L2261 WeakPolarHBondContact O-CD1 3.29Å; G2253-N2306 PolarHBondContact O-ND2 3.1Å
2254	Q	97.1	Very high	97.2	Very high	87 Å²	87	37.8 Å²	37.8	41%	0.407	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-96.4	12.8	173.9	-62.6	-62.2	-56.2	0	0	113.1	L2251 G2252 T2256 N2306 T2309 L2310	L2251-Q2254 HydrophobicContact CB-CB 4.28Å; L2251-Q2254 WeakPolarHBondContact O-CB 3.27Å; L2251-Q2254 PolarHBondContact O-N 3.32Å; G2252-Q2254 PolarHBondContact O-N 3.12Å; G2252-Q2254 VanDerWaalsContact O-N 3.1Å; Q2254-T2256 PolarHBondContact O-N 3.25Å; Q2254-N2306 VanDerWaalsContact C-ND2 3.33Å; Q2254-N2306 WeakPolarHBondContact CA-ND2 3.46Å; Q2254-N2306 PolarHBondContact NE2-OD1 3.31Å; Q2254-T2309 PolarHBondContact OE1-OG1 3.44Å; Q2254-L2310 HydrophobicContact CB-CD1 4.38Å; Q2254-L2310 WeakPolarHBondContact O-CD1 3.41Å
2255	S	97.6	Very high	97.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.			trans	-57.4	135.4	177.4	173.5	0	0	0	0	112.7	D2248 G2252 I2257 V2260 L2261 N2306	D2248-S2255 WeakPolarHBondContact O-CB 3.43Å; D2248-S2255 PolarHBondContact O-OG 3.45Å; D2248-S2255 VanDerWaalsContact OD1-C 3.28Å; D2248-S2255 VanDerWaalsContact OD1-CA 3.3Å; D2248-S2255 WeakPolarHBondContact OD1-CA 3.45Å; D2248-S2255 VanDerWaalsContact OD1-CB 3.28Å; D2248-S2255 WeakPolarHBondContact OD1-CB 3.41Å; D2248-S2255 PolarHBondContact OD1-OG 2.98Å; D2248-S2255 VanDerWaalsContact OD2-CA 3.3Å; D2248-S2255 WeakPolarHBondContact OD2-CA 3.46Å; D2248-S2255 VanDerWaalsContact OD2-CB 3.3Å; D2248-S2255 WeakPolarHBondContact OD2-CB 3.21Å; D2248-S2255 PolarHBondContact OD2-OG 3.18Å; G2252-S2255 WeakPolarHBondContact O-CB 3.45Å; G2252-S2255 PolarHBondContact O-N 3.2Å; S2255-I2257 PolarHBondContact OG-N 3.3Å; S2255-I2257 PolarHBondContact OG-O 3.28Å; S2255-V2260 WeakPolarHBondContact OG-CB 3.39Å; S2255-L2261 PolarHBondContact OG-N 3.11Å; S2255-L2261 VanDerWaalsContact OG-N 3.08Å; S2255-N2306 WeakPolarHBondContact O-CB 3.24Å; S2255-N2306 PolarHBondContact O-ND2 3.22Å
2256	T	97.9	Very high	97.3	Very high	16 Å²	16	38.6 Å²	38.6	10%	0.098	20%	0.203	C	C	.	.	S	Bend	trans	-93.9	5.7	177.5	79	0	0	0	0	113.8	K2244 D2248 L2251 Q2254 R2307 L2310	K2244-T2256 PolarHBondContact NZ-OG1 3.12Å; D2248-T2256 WeakPolarHBondContact OD1-CA 3.35Å; D2248-T2256 PolarHBondContact OD1-N 3.26Å; D2248-T2256 PolarHBondContact OD1-OG1 3.4Å; D2248-T2256 PolarHBondContact OD2-N 2.85Å; D2248-T2256 PolarHBondContact OD2-OG1 3.2Å; L2251-T2256 HydrophobicContact CD1-CG2 4.32Å; Q2254-T2256 PolarHBondContact O-N 3.25Å; T2256-R2307 HydrophobicContact CG2-CB 4.17Å; T2256-R2307 HydrophobicContact CG2-CG 4.43Å; T2256-R2307 PolarHBondContact O-NH2 3.2Å; T2256-R2307 VanDerWaalsContact O-NH2 3.07Å; T2256-L2310 HydrophobicContact CG2-CD1 3.72Å
2257	I	97.9	Very high	97.4	Very high	19 Å²	19	37.8 Å²	37.8	10%	0.097	20%	0.199	C	C	.	.	S	Bend	trans	-121.2	112.2	177.4	-66.9	173.4	0	0	0	108.8	K2244 W2245 D2248 S2255 P2259 V2260 L2261	K2244-I2257 HydrophobicContact CB-CD1 4.42Å; K2244-I2257 HydrophobicContact CD-CD1 3.82Å; K2244-I2257 HydrophobicContact CD-CG1 4.49Å; K2244-I2257 HydrophobicContact CG-CD1 4.1Å; K2244-I2257 VanDerWaalsContact NZ-CD1 3.28Å; K2244-I2257 VanDerWaalsContact NZ-CG1 3.27Å; K2244-I2257 WeakPolarHBondContact O-CD1 3.29Å; W2245-I2257 VanDerWaalsContact CD1-CD1 3.48Å; W2245-I2257 HydrophobicContact CD2-CG2 4.44Å; W2245-I2257 HydrophobicContact CG-CD1 4.17Å; W2245-I2257 HydrophobicContact CG-CG2 4.47Å; W2245-I2257 HydrophobicContact CZ2-CG2 4.49Å; D2248-I2257 HydrophobicContact CB-CB 4.36Å; D2248-I2257 HydrophobicContact CB-CD1 3.76Å; D2248-I2257 HydrophobicContact CB-CG1 4.22Å; D2248-I2257 PolarHBondContact OD1-N 3.1Å; D2248-I2257 WeakPolarHBondContact OD2-CB 3.32Å; D2248-I2257 VanDerWaalsContact OD2-CD1 3.31Å; D2248-I2257 WeakPolarHBondContact OD2-CD1 3.39Å; D2248-I2257 VanDerWaalsContact OD2-CG1 3.23Å; D2248-I2257 WeakPolarHBondContact OD2-CG1 3.39Å; D2248-I2257 PolarHBondContact OD2-N 3.2Å; S2255-I2257 PolarHBondContact OG-N 3.3Å; S2255-I2257 PolarHBondContact OG-O 3.28Å; I2257-P2259 HydrophobicContact CG2-CB 4.39Å; I2257-P2259 HydrophobicContact CG2-CG 4.14Å; I2257-V2260 HydrophobicContact CB-CB 4.22Å; I2257-V2260 HydrophobicContact CB-CG2 4.2Å; I2257-V2260 HydrophobicContact CG2-CB 4.24Å; I2257-V2260 HydrophobicContact CG2-CG2 3.83Å; I2257-V2260 WeakPolarHBondContact O-CA 3.35Å; I2257-V2260 WeakPolarHBondContact O-CB 3.44Å; I2257-V2260 PolarHBondContact O-N 3.06Å; I2257-L2261 WeakPolarHBondContact O-CB 3.42Å; I2257-L2261 PolarHBondContact O-N 3.35Å
2258	A	98.4	Very high	97.4	Very high	8.25 Å²	8.25	37.2 Å²	37.2	7%	0.068	20%	0.203	C	C	.	.	H	α-helix	trans	-52.6	-43.4	-173.9	0	0	0	0	0	115.6	V2260 L2261 H2262 W2288 W2299 V2300 A2303	A2258-V2260 VanDerWaalsContact C-N 3.34Å; A2258-V2260 PolarHBondContact O-N 3.16Å; A2258-L2261 PolarHBondContact O-N 3.41Å; A2258-H2262 VanDerWaalsContact O-CB 3.31Å; A2258-H2262 WeakPolarHBondContact O-CB 3.34Å; A2258-H2262 PolarHBondContact O-N 3.33Å; A2258-W2288 HydrophobicContact CB-CH2 3.49Å; A2258-W2288 VanDerWaalsContact CB-CH2 3.46Å; A2258-W2288 HydrophobicContact CB-CZ2 4.15Å; A2258-W2288 HydrophobicContact CB-CZ3 3.9Å; A2258-W2299 VanDerWaalsContact CB-C 3.49Å; A2258-W2299 HydrophobicContact CB-CB 3.99Å; A2258-W2299 WeakPolarHBondContact CB-O 3.34Å; A2258-V2300 HydrophobicContact CB-CB 4.44Å; A2258-V2300 HydrophobicContact CB-CG2 3.77Å; A2258-A2303 HydrophobicContact CB-CB 4.02Å
2259	P	98.2	Very high	97.4	Very high	15.5 Å²	15.5	41.2 Å²	41.2	10%	0.101	23%	0.228	C	C	.	.	H	α-helix	trans	-53.3	-45.7	170.4	-26.2	27.9	0	0	0	114.5	W2245 I2257 A2263 I2284 W2288	W2245-P2259 HydrophobicContact CH2-CB 3.59Å; W2245-P2259 HydrophobicContact CH2-CG 3.89Å; W2245-P2259 HydrophobicContact CZ2-CB 3.96Å; W2245-P2259 HydrophobicContact CZ2-CG 3.84Å; W2245-P2259 HydrophobicContact CZ3-CB 4.02Å; I2257-P2259 HydrophobicContact CG2-CB 4.39Å; I2257-P2259 HydrophobicContact CG2-CG 4.14Å; P2259-A2263 PolarHBondContact O-N 3.17Å; P2259-A2263 VanDerWaalsContact O-N 3.14Å; P2259-I2284 HydrophobicContact CB-CG2 3.97Å; P2259-I2284 VanDerWaalsContact O-CG2 3.31Å; P2259-I2284 WeakPolarHBondContact O-CG2 3.32Å; P2259-W2288 HydrophobicContact CB-CB 4.06Å; P2259-W2288 HydrophobicContact CB-CD2 4Å; P2259-W2288 HydrophobicContact CB-CE3 4.29Å; P2259-W2288 HydrophobicContact CB-CG 3.88Å; P2259-W2288 HydrophobicContact CG-CB 4.46Å; P2259-W2288 HydrophobicContact CG-CD2 3.69Å; P2259-W2288 HydrophobicContact CG-CE3 4.24Å; P2259-W2288 HydrophobicContact CG-CG 3.77Å; P2259-W2288 HydrophobicContact CG-CZ2 4.43Å
2260	V	98.2	Very high	97.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-75.8	-40.3	-175.9	178.5	0	0	0	0	110.4	W2245 D2248 E2249 S2255 I2257 A2258 H2262 A2263 N2264 I2284	W2245-V2260 HydrophobicContact CB-CG2 3.88Å; W2245-V2260 HydrophobicContact CD2-CG2 3.74Å; W2245-V2260 HydrophobicContact CE3-CG2 3.78Å; W2245-V2260 HydrophobicContact CG-CG2 3.81Å; D2248-V2260 HydrophobicContact CB-CB 4.47Å; D2248-V2260 HydrophobicContact CB-CG1 4.25Å; E2249-V2260 VanDerWaalsContact CA-CG1 3.44Å; E2249-V2260 HydrophobicContact CB-CG1 3.83Å; E2249-V2260 HydrophobicContact CG-CG1 4.07Å; S2255-V2260 WeakPolarHBondContact OG-CB 3.39Å; I2257-V2260 HydrophobicContact CB-CB 4.22Å; I2257-V2260 HydrophobicContact CB-CG2 4.2Å; I2257-V2260 HydrophobicContact CG2-CB 4.24Å; I2257-V2260 HydrophobicContact CG2-CG2 3.83Å; I2257-V2260 WeakPolarHBondContact O-CA 3.35Å; I2257-V2260 WeakPolarHBondContact O-CB 3.44Å; I2257-V2260 PolarHBondContact O-N 3.06Å; A2258-V2260 VanDerWaalsContact C-N 3.34Å; A2258-V2260 PolarHBondContact O-N 3.16Å; V2260-H2262 PolarHBondContact O-N 3.3Å; V2260-A2263 PolarHBondContact O-N 3.19Å; V2260-A2263 VanDerWaalsContact O-N 3.16Å; V2260-N2264 WeakPolarHBondContact O-CB 3.35Å; V2260-N2264 VanDerWaalsContact O-CG 3.28Å; V2260-N2264 PolarHBondContact O-N 2.97Å; V2260-I2284 HydrophobicContact CG2-CG2 4.39Å
2261	L	98.4	Very high	97.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-47.5	172.7	-177.6	61.7	0	0	0	112.1	G2253 S2255 I2257 A2258 A2263 N2264 I2265 W2299 Q2302 A2303 N2306	G2253-L2261 VanDerWaalsContact O-CD1 3.25Å; G2253-L2261 WeakPolarHBondContact O-CD1 3.29Å; S2255-L2261 PolarHBondContact OG-N 3.11Å; S2255-L2261 VanDerWaalsContact OG-N 3.08Å; I2257-L2261 WeakPolarHBondContact O-CB 3.42Å; I2257-L2261 PolarHBondContact O-N 3.35Å; A2258-L2261 PolarHBondContact O-N 3.41Å; L2261-A2263 VanDerWaalsContact C-N 3.32Å; L2261-A2263 PolarHBondContact O-N 3.21Å; L2261-N2264 PolarHBondContact O-N 3.02Å; L2261-I2265 HydrophobicContact CD1-CD1 3.61Å; L2261-I2265 HydrophobicContact CD1-CG1 4.36Å; L2261-I2265 HydrophobicContact CG-CD1 4.2Å; L2261-I2265 PolarHBondContact O-N 3.21Å; L2261-W2299 HydrophobicContact CD2-CE3 4.21Å; L2261-W2299 HydrophobicContact CG-CE3 4Å; L2261-W2299 HydrophobicContact CG-CZ3 4.26Å; L2261-Q2302 HydrophobicContact CD2-CB 3.8Å; L2261-Q2302 HydrophobicContact CD2-CG 3.83Å; L2261-A2303 HydrophobicContact CD2-CB 3.95Å; L2261-N2306 WeakPolarHBondContact CD1-ND2 3.4Å
2262	H	98.5	Very high	97.3	Very high	9.75 Å²	9.75	37.2 Å²	37.2	5%	0.045	23%	0.228	C	C	.	.	H	α-helix	trans	-58.2	-45.5	175	170.4	-110.1	0	0	0	111.5	A2258 V2260 I2265 S2266 H2267 W2288 W2299	A2258-H2262 VanDerWaalsContact O-CB 3.31Å; A2258-H2262 WeakPolarHBondContact O-CB 3.34Å; A2258-H2262 PolarHBondContact O-N 3.33Å; V2260-H2262 PolarHBondContact O-N 3.3Å; H2262-I2265 PolarHBondContact O-N 2.91Å; H2262-S2266 PolarHBondContact CD2-OG 3.16Å; H2262-S2266 VanDerWaalsContact CD2-OG 3.26Å; H2262-S2266 WeakPolarHBondContact NE2-CB 3.32Å; H2262-S2266 PolarHBondContact NE2-OG 3.35Å; H2262-S2266 VanDerWaalsContact O-CB 3.25Å; H2262-S2266 WeakPolarHBondContact O-CB 3.41Å; H2262-S2266 PolarHBondContact O-N 3.3Å; H2262-S2266 PolarHBondContact O-OG 3.28Å; H2262-S2266 VanDerWaalsContact O-OG 3.1Å; H2262-H2267 AromaticContact CE1-CD2 3.77Å; H2262-H2267 AromaticContact CE1-NE2 3.48Å; H2262-H2267 PolarHBondContact CE1-NE2 3.15Å; H2262-H2267 AromaticContact NE2-NE2 3.8Å; H2262-W2288 HydrophobicContact CB-CE3 4.35Å; H2262-W2288 HydrophobicContact CB-CZ3 4.45Å; H2262-W2299 HydrophobicContact CB-CD2 3.85Å; H2262-W2299 HydrophobicContact CB-CE3 4.24Å; H2262-W2299 HydrophobicContact CB-CG 4.03Å; H2262-W2299 AromaticContact CD2-CE2 3.44Å; H2262-W2299 VanDerWaalsContact CD2-CE2 3.43Å; H2262-W2299 AromaticContact CD2-CZ2 3.6Å; H2262-W2299 AromaticContact CD2-NE1 3.39Å; H2262-W2299 PolarHBondContact CD2-NE1 3.05Å; H2262-W2299 VanDerWaalsContact CD2-NE1 3.33Å; H2262-W2299 AromaticContact CG-NE1 3.99Å
2263	A	98.1	Very high	97.3	Very high	2.75 Å²	2.75	42 Å²	42	2%	0.023	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-42.9	178	0	0	0	0	0	112.7	P2259 V2260 L2261 I2265 H2267 L2270 I2284	P2259-A2263 PolarHBondContact O-N 3.17Å; P2259-A2263 VanDerWaalsContact O-N 3.14Å; V2260-A2263 PolarHBondContact O-N 3.19Å; V2260-A2263 VanDerWaalsContact O-N 3.16Å; L2261-A2263 VanDerWaalsContact C-N 3.32Å; L2261-A2263 PolarHBondContact O-N 3.21Å; A2263-I2265 VanDerWaalsContact C-N 3.3Å; A2263-I2265 PolarHBondContact O-N 2.99Å; A2263-H2267 CarbonylContact O-C 3.34Å; A2263-H2267 VanDerWaalsContact O-CA 3.26Å; A2263-H2267 WeakPolarHBondContact O-CA 3.29Å; A2263-H2267 WeakPolarHBondContact O-CB 3.46Å; A2263-H2267 PolarHBondContact O-N 3.19Å; A2263-L2270 HydrophobicContact CB-CD2 4.32Å; A2263-I2284 HydrophobicContact CB-CB 4.31Å; A2263-I2284 HydrophobicContact CB-CD1 4.09Å; A2263-I2284 HydrophobicContact CB-CG1 3.64Å; A2263-I2284 HydrophobicContact CB-CG2 4.04Å
2264	N	97.6	Very high	97.3	Very high	25.5 Å²	25.5	44.1 Å²	44.1	14%	0.136	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-35	179.1	-77.9	-12.1	0	0	0	112.9	E2249 G2252 V2260 L2261	E2249-N2264 WeakPolarHBondContact CG-OD1 3.36Å; E2249-N2264 PolarHBondContact O-ND2 3.03Å; E2249-N2264 VanDerWaalsContact O-ND2 3.13Å; G2252-N2264 VanDerWaalsContact CA-ND2 3.27Å; G2252-N2264 WeakPolarHBondContact CA-ND2 3.38Å; G2252-N2264 PolarHBondContact N-ND2 3.26Å; G2252-N2264 WeakPolarHBondContact O-CB 3.4Å; G2252-N2264 PolarHBondContact O-ND2 2.97Å; V2260-N2264 WeakPolarHBondContact O-CB 3.35Å; V2260-N2264 VanDerWaalsContact O-CG 3.28Å; V2260-N2264 PolarHBondContact O-N 2.97Å; L2261-N2264 PolarHBondContact O-N 3.02Å
2265	I	97.5	Very high	97.2	Very high	74.75 Å²	74.75	44.8 Å²	44.8	38%	0.383	25%	0.254	S	S	.	.	H	α-helix	trans	-91.9	-47.4	-177.5	-67.9	174.1	0	0	0	112	L2261 H2262 A2263 W2299	L2261-I2265 HydrophobicContact CD1-CD1 3.61Å; L2261-I2265 HydrophobicContact CD1-CG1 4.36Å; L2261-I2265 HydrophobicContact CG-CD1 4.2Å; L2261-I2265 PolarHBondContact O-N 3.21Å; H2262-I2265 PolarHBondContact O-N 2.91Å; A2263-I2265 VanDerWaalsContact C-N 3.3Å; A2263-I2265 PolarHBondContact O-N 2.99Å; I2265-W2299 HydrophobicContact CB-CH2 3.99Å; I2265-W2299 HydrophobicContact CB-CZ3 4.08Å; I2265-W2299 HydrophobicContact CD1-CH2 4.35Å; I2265-W2299 HydrophobicContact CD1-CZ3 3.92Å; I2265-W2299 HydrophobicContact CG1-CZ3 4.45Å; I2265-W2299 HydrophobicContact CG2-CH2 3.82Å; I2265-W2299 HydrophobicContact CG2-CZ3 4.26Å
2266	S	97.3	Very high	97.1	Very high	51.5 Å²	51.5	49.7 Å²	49.7	36%	0.36	28%	0.277	S	S	.	.	H	α-helix	trans	-85	-23.1	-175.2	-50.9	0	0	0	0	113.5	H2262 P2268 W2299	H2262-S2266 PolarHBondContact CD2-OG 3.16Å; H2262-S2266 VanDerWaalsContact CD2-OG 3.26Å; H2262-S2266 WeakPolarHBondContact NE2-CB 3.32Å; H2262-S2266 PolarHBondContact NE2-OG 3.35Å; H2262-S2266 VanDerWaalsContact O-CB 3.25Å; H2262-S2266 WeakPolarHBondContact O-CB 3.41Å; H2262-S2266 PolarHBondContact O-N 3.3Å; H2262-S2266 PolarHBondContact O-OG 3.28Å; H2262-S2266 VanDerWaalsContact O-OG 3.1Å; S2266-P2268 VanDerWaalsContact C-CD 3.5Å; S2266-W2299 WeakPolarHBondContact OG-CZ2 3.26Å
2267	H	97.4	Very high	97	Very high	60 Å²	60	49.5 Å²	49.5	28%	0.278	28%	0.275	S	S	.	.			trans	-135	54.5	-174.4	-53.4	-70	0	0	0	112.4	H2262 A2263 T2269 L2270 L2287	H2262-H2267 AromaticContact CE1-CD2 3.77Å; H2262-H2267 AromaticContact CE1-NE2 3.48Å; H2262-H2267 PolarHBondContact CE1-NE2 3.15Å; H2262-H2267 AromaticContact NE2-NE2 3.8Å; A2263-H2267 CarbonylContact O-C 3.34Å; A2263-H2267 VanDerWaalsContact O-CA 3.26Å; A2263-H2267 WeakPolarHBondContact O-CA 3.29Å; A2263-H2267 WeakPolarHBondContact O-CB 3.46Å; A2263-H2267 PolarHBondContact O-N 3.19Å; H2267-T2269 PolarHBondContact O-N 3.08Å; H2267-T2269 VanDerWaalsContact O-N 3.09Å; H2267-L2270 HydrophobicContact CB-CB 4.2Å; H2267-L2270 HydrophobicContact CB-CD1 3.7Å; H2267-L2270 WeakPolarHBondContact O-CB 3.37Å; H2267-L2270 PolarHBondContact O-N 3.28Å; H2267-L2287 HydrophobicContact CB-CD1 4.42Å; H2267-L2287 VanDerWaalsContact CD2-CD1 3.44Å; H2267-L2287 WeakPolarHBondContact CD2-CD1 3.32Å
2268	P	96.1	Very high	96.8	Very high	85.25 Å²	85.25	52.4 Å²	52.4	55%	0.554	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-24.4	-177.1	25.6	-35.5	0	0	0	113.5	S2266 L2270	S2266-P2268 VanDerWaalsContact C-CD 3.5Å; P2268-L2270 VanDerWaalsContact C-N 3.26Å; P2268-L2270 PolarHBondContact O-N 2.96Å
2269	T	96.6	Very high	96.7	Very high	88 Å²	88	54.8 Å²	54.8	54%	0.54	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-14.4	175.1	53.4	0	0	0	0	114.1	H2267 R2271 G2272 Q2273	H2267-T2269 PolarHBondContact O-N 3.08Å; H2267-T2269 VanDerWaalsContact O-N 3.09Å; T2269-R2271 PolarHBondContact O-N 3.25Å; T2269-R2271 VanDerWaalsContact O-N 3.16Å; T2269-G2272 WeakPolarHBondContact O-CA 3.42Å; T2269-G2272 PolarHBondContact O-N 3.39Å; T2269-Q2273 PolarHBondContact O-N 3.18Å
2270	L	95.9	Very high	96.7	Very high	11.75 Å²	11.75	54.9 Å²	54.9	6%	0.062	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-30.5	-175.4	-158	94.4	0	0	0	112.2	A2263 H2267 P2268 G2272 Q2273 Y2274 R2280 E2283 I2284 L2287	A2263-L2270 HydrophobicContact CB-CD2 4.32Å; H2267-L2270 HydrophobicContact CB-CB 4.2Å; H2267-L2270 HydrophobicContact CB-CD1 3.7Å; H2267-L2270 WeakPolarHBondContact O-CB 3.37Å; H2267-L2270 PolarHBondContact O-N 3.28Å; P2268-L2270 VanDerWaalsContact C-N 3.26Å; P2268-L2270 PolarHBondContact O-N 2.96Å; L2270-G2272 VanDerWaalsContact C-N 3.33Å; L2270-G2272 PolarHBondContact O-N 3.33Å; L2270-Q2273 PolarHBondContact O-N 3.28Å; L2270-Y2274 HydrophobicContact CD1-CD2 3.7Å; L2270-Y2274 HydrophobicContact CD1-CE2 3.84Å; L2270-Y2274 HydrophobicContact CD2-CD2 3.75Å; L2270-Y2274 HydrophobicContact CD2-CE2 4.47Å; L2270-Y2274 HydrophobicContact CG-CD2 4.07Å; L2270-Y2274 HydrophobicContact CG-CE2 4.48Å; L2270-Y2274 PolarHBondContact O-N 3.06Å; L2270-R2280 HydrophobicContact CD2-CB 4.43Å; L2270-R2280 HydrophobicContact CD2-CG 3.75Å; L2270-R2280 HydrophobicContact CG-CG 4.02Å; L2270-R2280 WeakPolarHBondContact O-CD 3.34Å; L2270-E2283 HydrophobicContact CD1-CB 4.05Å; L2270-E2283 HydrophobicContact CD2-CB 4.29Å; L2270-I2284 HydrophobicContact CD2-CD1 4.46Å; L2270-I2284 HydrophobicContact CD2-CG1 3.8Å; L2270-L2287 HydrophobicContact CD1-CD1 3.83Å; L2270-L2287 HydrophobicContact CD2-CD1 4.15Å
2271	R	94.9	Very high	96.6	Very high	104.25 Å²	104.25	54.9 Å²	54.9	39%	0.393	31%	0.306	S	S	.	.	H	α-helix	trans	-65.3	-33.6	172.7	-72.2	-175.8	138.5	178.7	-2.1	113.5	E2249 T2269 Y2274 P2275	E2249-R2271 VanDerWaalsContact CD-NE 3.29Å; E2249-R2271 VanDerWaalsContact CG-NH2 3.31Å; E2249-R2271 VanDerWaalsContact O-CZ 3.24Å; E2249-R2271 PolarHBondContact O-NH1 2.62Å; E2249-R2271 PolarHBondContact O-NH2 3.08Å; E2249-R2271 WeakPolarHBondContact OE1-CG 3.28Å; E2249-R2271 IonicContact OE1-CZ 3.15Å; E2249-R2271 IonicContact OE1-NE 2.83Å; E2249-R2271 PolarHBondContact OE1-NE 3.33Å; E2249-R2271 IonicContact OE1-NH2 3.21Å; E2249-R2271 IonicContact OE2-CZ 2.79Å; E2249-R2271 IonicContact OE2-NE 2.99Å; E2249-R2271 PolarHBondContact OE2-NE 3.21Å; E2249-R2271 IonicContact OE2-NH2 3.4Å; E2249-R2271 PolarHBondContact OE2-NH2 3.24Å; T2269-R2271 PolarHBondContact O-N 3.25Å; T2269-R2271 VanDerWaalsContact O-N 3.16Å; R2271-Y2274 CarbonylContact O-C 3.29Å; R2271-P2275 WeakPolarHBondContact O-CA 3.4Å
2272	G	96.1	Very high	96.6	Very high	62.25 Å²	62.25	60.2 Å²	60.2	64%	0.642	33%	0.328	S	S	*	.	H	α-helix	trans	-81.2	-36.8	175.4	0	0	0	0	0	112.9	T2269 L2270	T2269-G2272 WeakPolarHBondContact O-CA 3.42Å; T2269-G2272 PolarHBondContact O-N 3.39Å; L2270-G2272 VanDerWaalsContact C-N 3.33Å; L2270-G2272 PolarHBondContact O-N 3.33Å
2273	Q	96.1	Very high	96.5	Very high	123.75 Å²	123.75	61.2 Å²	61.2	58%	0.578	33%	0.333	S	S	*	.	H	α-helix	trans	-71.8	-34.8	178.2	-69.3	179.6	-6.8	0	0	112.9	T2269 L2270	T2269-Q2273 PolarHBondContact O-N 3.18Å; L2270-Q2273 PolarHBondContact O-N 3.28Å
2274	Y	96.9	Very high	96.5	Very high	80.75 Å²	80.75	61.2 Å²	61.2	32%	0.317	33%	0.332	S	S	.	.			trans	-129.5	81.6	179.5	-56.6	-79.8	0	0	0	109.4	L2270 R2271 E2276 V2279 R2280 E2283	L2270-Y2274 HydrophobicContact CD1-CD2 3.7Å; L2270-Y2274 HydrophobicContact CD1-CE2 3.84Å; L2270-Y2274 HydrophobicContact CD2-CD2 3.75Å; L2270-Y2274 HydrophobicContact CD2-CE2 4.47Å; L2270-Y2274 HydrophobicContact CG-CD2 4.07Å; L2270-Y2274 HydrophobicContact CG-CE2 4.48Å; L2270-Y2274 PolarHBondContact O-N 3.06Å; R2271-Y2274 CarbonylContact O-C 3.29Å; Y2274-E2276 VanDerWaalsContact C-N 3.27Å; Y2274-E2276 PolarHBondContact O-N 3.07Å; Y2274-V2279 HydrophobicContact CD1-CG1 3.61Å; Y2274-V2279 HydrophobicContact CE1-CG1 4.27Å; Y2274-V2279 HydrophobicContact CG-CG1 4.36Å; Y2274-R2280 WeakPolarHBondContact O-CD 3.32Å; Y2274-R2280 PolarHBondContact O-NH1 3.04Å; Y2274-E2283 HydrophobicContact CD1-CG 4.32Å; Y2274-E2283 HydrophobicContact CD2-CB 4.47Å; Y2274-E2283 HydrophobicContact CD2-CG 4.01Å; Y2274-E2283 HydrophobicContact CE1-CG 4.07Å; Y2274-E2283 HydrophobicContact CE2-CB 4.42Å; Y2274-E2283 HydrophobicContact CE2-CG 3.77Å; Y2274-E2283 HydrophobicContact CG-CG 4.28Å
2275	P	95.5	Very high	96.5	Very high	101.25 Å²	101.25	60.4 Å²	60.4	66%	0.657	33%	0.329	S	S	*	.			trans	-63.2	-30.7	-177.3	-24.9	35.7	0	0	0	113.8	R2271 F2277 R2280	R2271-P2275 WeakPolarHBondContact O-CA 3.4Å; P2275-F2277 PolarHBondContact O-N 3.19Å; P2275-R2280 PolarHBondContact O-NH1 2.93Å
2276	E	95.9	Very high	96.5	Very high	103.75 Å²	103.75	61.8 Å²	61.8	49%	0.485	33%	0.332	S	S	.	.	S	Bend	trans	-74.9	120.3	174.9	173.3	46.1	-132.1	0	0	111.3	Y2274 T2278 V2279 R2280	Y2274-E2276 VanDerWaalsContact C-N 3.27Å; Y2274-E2276 PolarHBondContact O-N 3.07Å; E2276-T2278 VanDerWaalsContact C-N 3.32Å; E2276-T2278 WeakPolarHBondContact CG-OG1 3.25Å; E2276-T2278 PolarHBondContact O-N 3.07Å; E2276-T2278 WeakPolarHBondContact OE1-CA 3.31Å; E2276-T2278 WeakPolarHBondContact OE1-CB 3.4Å; E2276-T2278 PolarHBondContact OE1-N 3.2Å; E2276-T2278 PolarHBondContact OE1-OG1 3.09Å; E2276-V2279 HydrophobicContact CB-CB 4.46Å; E2276-V2279 HydrophobicContact CB-CG2 4.27Å; E2276-V2279 HydrophobicContact CG-CB 4.41Å; E2276-V2279 HydrophobicContact CG-CG2 3.95Å; E2276-V2279 PolarHBondContact O-N 3.1Å; E2276-R2280 WeakPolarHBondContact O-CB 3.41Å; E2276-R2280 PolarHBondContact O-N 3.29Å
2277	F	95	Very high	96.5	Very high	11.25 Å²	11.25	60.9 Å²	60.9	5%	0.049	32%	0.324	C	S	.	.	H	α-helix	trans	-62.9	-37.8	-175.4	177.6	-100.7	0	0	0	112.7	Y2242 W2245 E2246 E2249 P2275 V2279 R2280 A2281	Y2242-F2277 VanDerWaalsContact O-CE1 3.25Å; Y2242-F2277 WeakPolarHBondContact O-CE1 3.39Å; Y2242-F2277 WeakPolarHBondContact O-CZ 3.45Å; W2245-F2277 VanDerWaalsContact C-CZ 3.47Å; W2245-F2277 HydrophobicContact CB-CE1 4.48Å; W2245-F2277 HydrophobicContact CB-CZ 3.75Å; E2246-F2277 VanDerWaalsContact CA-CE2 3.41Å; E2246-F2277 VanDerWaalsContact CA-CZ 3.49Å; E2246-F2277 HydrophobicContact CB-CD1 3.81Å; E2246-F2277 HydrophobicContact CB-CD2 4.21Å; E2246-F2277 HydrophobicContact CB-CE1 3.59Å; E2246-F2277 HydrophobicContact CB-CE2 4Å; E2246-F2277 HydrophobicContact CB-CG 4.13Å; E2246-F2277 HydrophobicContact CB-CZ 3.7Å; E2246-F2277 HydrophobicContact CG-CB 4.42Å; E2246-F2277 HydrophobicContact CG-CD1 3.9Å; E2246-F2277 HydrophobicContact CG-CD2 4.06Å; E2246-F2277 HydrophobicContact CG-CE1 4.21Å; E2246-F2277 HydrophobicContact CG-CE2 4.34Å; E2246-F2277 HydrophobicContact CG-CG 3.84Å; E2246-F2277 HydrophobicContact CG-CZ 4.42Å; E2246-F2277 VanDerWaalsContact N-CZ 3.31Å; E2249-F2277 HydrophobicContact CB-CE2 4.42Å; E2249-F2277 WeakPolarHBondContact OE2-CD2 3.38Å; P2275-F2277 PolarHBondContact O-N 3.19Å; F2277-V2279 VanDerWaalsContact C-N 3.32Å; F2277-V2279 PolarHBondContact O-N 3.3Å; F2277-R2280 PolarHBondContact O-N 3.06Å; F2277-R2280 VanDerWaalsContact O-N 3.15Å; F2277-A2281 HydrophobicContact CE1-CB 4Å; F2277-A2281 HydrophobicContact CE2-CB 4.25Å; F2277-A2281 HydrophobicContact CZ-CB 3.81Å; F2277-A2281 WeakPolarHBondContact O-CB 3.38Å; F2277-A2281 PolarHBondContact O-N 3.02Å
2278	T	95	Very high	96.6	Very high	79.25 Å²	79.25	60 Å²	60	49%	0.486	32%	0.318	S	S	.	.	H	α-helix	trans	-62.7	-31.4	179.7	-29.9	0	0	0	0	112.7	E2276 K2282	E2276-T2278 VanDerWaalsContact C-N 3.32Å; E2276-T2278 WeakPolarHBondContact CG-OG1 3.25Å; E2276-T2278 PolarHBondContact O-N 3.07Å; E2276-T2278 WeakPolarHBondContact OE1-CA 3.31Å; E2276-T2278 WeakPolarHBondContact OE1-CB 3.4Å; E2276-T2278 PolarHBondContact OE1-N 3.2Å; E2276-T2278 PolarHBondContact OE1-OG1 3.09Å; T2278-K2282 WeakPolarHBondContact O-CD 3.16Å; T2278-K2282 WeakPolarHBondContact O-CE 3.38Å; T2278-K2282 WeakPolarHBondContact O-CG 3.29Å
2279	V	96.4	Very high	96.6	Very high	58.5 Å²	58.5	64.2 Å²	64.2	36%	0.355	32%	0.322	S	S	.	.	H	α-helix	trans	-79.8	-47.4	172.6	-179	0	0	0	0	109.9	Y2274 E2276 F2277 A2281 K2282 E2283	Y2274-V2279 HydrophobicContact CD1-CG1 3.61Å; Y2274-V2279 HydrophobicContact CE1-CG1 4.27Å; Y2274-V2279 HydrophobicContact CG-CG1 4.36Å; E2276-V2279 HydrophobicContact CB-CB 4.46Å; E2276-V2279 HydrophobicContact CB-CG2 4.27Å; E2276-V2279 HydrophobicContact CG-CB 4.41Å; E2276-V2279 HydrophobicContact CG-CG2 3.95Å; E2276-V2279 PolarHBondContact O-N 3.1Å; F2277-V2279 VanDerWaalsContact C-N 3.32Å; F2277-V2279 PolarHBondContact O-N 3.3Å; V2279-A2281 VanDerWaalsContact C-N 3.31Å; V2279-A2281 PolarHBondContact O-N 3.07Å; V2279-K2282 WeakPolarHBondContact O-CA 3.45Å; V2279-K2282 VanDerWaalsContact O-CB 3.3Å; V2279-K2282 WeakPolarHBondContact O-CB 3.32Å; V2279-K2282 PolarHBondContact O-N 3.3Å; V2279-E2283 PolarHBondContact O-N 2.99Å; V2279-E2283 VanDerWaalsContact O-N 3.17Å
2280	R	97.2	Very high	96.7	Very high	19.25 Å²	19.25	69.7 Å²	69.7	7%	0.073	33%	0.333	C	S	.	.	H	α-helix	trans	-54.6	-44.1	179	-171	158.8	64.8	-109.5	3	112.5	E2249 L2270 Y2274 P2275 E2276 F2277 K2282 E2283 I2284	E2249-R2280 VanDerWaalsContact CD-NE 3.28Å; E2249-R2280 WeakPolarHBondContact OE1-CD 3.35Å; E2249-R2280 IonicContact OE1-CZ 2.88Å; E2249-R2280 IonicContact OE1-NE 3.4Å; E2249-R2280 PolarHBondContact OE1-NE 2.96Å; E2249-R2280 IonicContact OE1-NH2 3.29Å; E2249-R2280 IonicContact OE2-CZ 3.05Å; E2249-R2280 VanDerWaalsContact OE2-CZ 3.28Å; E2249-R2280 IonicContact OE2-NE 2.89Å; E2249-R2280 PolarHBondContact OE2-NE 2.85Å; E2249-R2280 VanDerWaalsContact OE2-NE 3.12Å; E2249-R2280 IonicContact OE2-NH2 3.35Å; E2249-R2280 PolarHBondContact OE2-NH2 3.08Å; L2270-R2280 HydrophobicContact CD2-CB 4.43Å; L2270-R2280 HydrophobicContact CD2-CG 3.75Å; L2270-R2280 HydrophobicContact CG-CG 4.02Å; L2270-R2280 WeakPolarHBondContact O-CD 3.34Å; Y2274-R2280 WeakPolarHBondContact O-CD 3.32Å; Y2274-R2280 PolarHBondContact O-NH1 3.04Å; P2275-R2280 PolarHBondContact O-NH1 2.93Å; E2276-R2280 WeakPolarHBondContact O-CB 3.41Å; E2276-R2280 PolarHBondContact O-N 3.29Å; F2277-R2280 PolarHBondContact O-N 3.06Å; F2277-R2280 VanDerWaalsContact O-N 3.15Å; R2280-K2282 VanDerWaalsContact C-N 3.27Å; R2280-K2282 PolarHBondContact O-N 3.28Å; R2280-E2283 CarbonylContact O-C 3.33Å; R2280-E2283 WeakPolarHBondContact O-CA 3.34Å; R2280-E2283 WeakPolarHBondContact O-CB 3.27Å; R2280-E2283 PolarHBondContact O-N 3.28Å; R2280-I2284 HydrophobicContact CG-CD1 4.27Å; R2280-I2284 HydrophobicContact CG-CG1 4.43Å; R2280-I2284 VanDerWaalsContact O-CG1 3.29Å; R2280-I2284 WeakPolarHBondContact O-CG1 3.38Å; R2280-I2284 PolarHBondContact O-N 3.24Å
2281	A	96.9	Very high	96.7	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.7	-26.9	177.9	0	0	0	0	0	113.8	Y2242 W2245 F2277 V2279 S2285	Y2242-A2281 HydrophobicContact CD1-CB 3.6Å; Y2242-A2281 VanDerWaalsContact CD1-CB 3.5Å; Y2242-A2281 HydrophobicContact CE1-CB 3.71Å; W2245-A2281 HydrophobicContact CE3-CB 4.45Å; F2277-A2281 HydrophobicContact CE1-CB 4Å; F2277-A2281 HydrophobicContact CE2-CB 4.25Å; F2277-A2281 HydrophobicContact CZ-CB 3.81Å; F2277-A2281 WeakPolarHBondContact O-CB 3.38Å; F2277-A2281 PolarHBondContact O-N 3.02Å; V2279-A2281 VanDerWaalsContact C-N 3.31Å; V2279-A2281 PolarHBondContact O-N 3.07Å; A2281-S2285 VanDerWaalsContact O-CB 3.3Å; A2281-S2285 WeakPolarHBondContact O-CB 3.37Å; A2281-S2285 PolarHBondContact O-N 3.13Å; A2281-S2285 PolarHBondContact O-OG 3.13Å
2282	K	97.3	Very high	96.9	Very high	110.5 Å²	110.5	67.7 Å²	67.7	48%	0.48	34%	0.335	S	S	.	.	H	α-helix	trans	-70.5	-39.6	170.9	-63.4	171	-175	174.9	0	110.8	T2278 V2279 R2280 S2285 K2286	T2278-K2282 WeakPolarHBondContact O-CD 3.16Å; T2278-K2282 WeakPolarHBondContact O-CE 3.38Å; T2278-K2282 WeakPolarHBondContact O-CG 3.29Å; V2279-K2282 WeakPolarHBondContact O-CA 3.45Å; V2279-K2282 VanDerWaalsContact O-CB 3.3Å; V2279-K2282 WeakPolarHBondContact O-CB 3.32Å; V2279-K2282 PolarHBondContact O-N 3.3Å; R2280-K2282 VanDerWaalsContact C-N 3.27Å; R2280-K2282 PolarHBondContact O-N 3.28Å; K2282-S2285 WeakPolarHBondContact O-CB 3.31Å; K2282-S2285 PolarHBondContact O-N 3.22Å; K2282-K2286 WeakPolarHBondContact O-CG 3.41Å; K2282-K2286 PolarHBondContact O-N 3.08Å
2283	E	97.7	Very high	96.9	Very high	31.75 Å²	31.75	69.3 Å²	69.3	15%	0.148	34%	0.336	C	S	.	.	H	α-helix	trans	-70	-42.2	174.6	-59	-46.9	120.9	0	0	112.4	L2270 Y2274 V2279 R2280 S2285 K2286 L2287	L2270-E2283 HydrophobicContact CD1-CB 4.05Å; L2270-E2283 HydrophobicContact CD2-CB 4.29Å; Y2274-E2283 HydrophobicContact CD1-CG 4.32Å; Y2274-E2283 HydrophobicContact CD2-CB 4.47Å; Y2274-E2283 HydrophobicContact CD2-CG 4.01Å; Y2274-E2283 HydrophobicContact CE1-CG 4.07Å; Y2274-E2283 HydrophobicContact CE2-CB 4.42Å; Y2274-E2283 HydrophobicContact CE2-CG 3.77Å; Y2274-E2283 HydrophobicContact CG-CG 4.28Å; V2279-E2283 PolarHBondContact O-N 2.99Å; V2279-E2283 VanDerWaalsContact O-N 3.17Å; R2280-E2283 CarbonylContact O-C 3.33Å; R2280-E2283 WeakPolarHBondContact O-CA 3.34Å; R2280-E2283 WeakPolarHBondContact O-CB 3.27Å; R2280-E2283 PolarHBondContact O-N 3.28Å; E2283-S2285 VanDerWaalsContact C-N 3.25Å; E2283-S2285 PolarHBondContact O-N 3.27Å; E2283-K2286 VanDerWaalsContact CD-NZ 3.32Å; E2283-K2286 WeakPolarHBondContact O-CB 3.39Å; E2283-K2286 PolarHBondContact O-N 3.07Å; E2283-K2286 WeakPolarHBondContact OE1-CD 3.4Å; E2283-K2286 WeakPolarHBondContact OE1-CE 3.37Å; E2283-K2286 IonicContact OE1-NZ 3.02Å; E2283-K2286 PolarHBondContact OE1-NZ 3.09Å; E2283-K2286 WeakPolarHBondContact OE2-CD 3.4Å; E2283-K2286 IonicContact OE2-NZ 3.19Å; E2283-K2286 PolarHBondContact OE2-NZ 3.03Å; E2283-L2287 WeakPolarHBondContact O-CB 3.41Å; E2283-L2287 VanDerWaalsContact O-CG 3.27Å; E2283-L2287 WeakPolarHBondContact O-CG 3.4Å; E2283-L2287 PolarHBondContact O-N 3.41Å
2284	I	98	Very high	97	Very high	1 Å²	1	71.3 Å²	71.3	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-52.9	-45.9	169.1	-64	177.4	0	0	0	110	W2245 P2259 V2260 A2263 L2270 R2280 K2286 L2287 W2288	W2245-I2284 HydrophobicContact CE3-CG2 4.07Å; W2245-I2284 HydrophobicContact CH2-CG2 4.47Å; W2245-I2284 HydrophobicContact CZ3-CB 4.19Å; W2245-I2284 HydrophobicContact CZ3-CG2 3.62Å; P2259-I2284 HydrophobicContact CB-CG2 3.97Å; P2259-I2284 VanDerWaalsContact O-CG2 3.31Å; P2259-I2284 WeakPolarHBondContact O-CG2 3.32Å; V2260-I2284 HydrophobicContact CG2-CG2 4.39Å; A2263-I2284 HydrophobicContact CB-CB 4.31Å; A2263-I2284 HydrophobicContact CB-CD1 4.09Å; A2263-I2284 HydrophobicContact CB-CG1 3.64Å; A2263-I2284 HydrophobicContact CB-CG2 4.04Å; L2270-I2284 HydrophobicContact CD2-CD1 4.46Å; L2270-I2284 HydrophobicContact CD2-CG1 3.8Å; R2280-I2284 HydrophobicContact CG-CD1 4.27Å; R2280-I2284 HydrophobicContact CG-CG1 4.43Å; R2280-I2284 VanDerWaalsContact O-CG1 3.29Å; R2280-I2284 WeakPolarHBondContact O-CG1 3.38Å; R2280-I2284 PolarHBondContact O-N 3.24Å; I2284-K2286 VanDerWaalsContact C-N 3.34Å; I2284-K2286 PolarHBondContact O-N 3.19Å; I2284-L2287 PolarHBondContact O-N 3.1Å; I2284-W2288 VanDerWaalsContact O-CB 3.32Å; I2284-W2288 WeakPolarHBondContact O-CB 3.3Å; I2284-W2288 PolarHBondContact O-N 3.13Å
2285	S	97.2	Very high	97	Very high	8.75 Å²	8.75	71.8 Å²	71.8	6%	0.061	35%	0.35	C	S	.	.	H	α-helix	trans	-64.7	-34.9	177.5	-63.9	0	0	0	0	113.5	W2245 A2281 K2282 E2283 R2289	W2245-S2285 WeakPolarHBondContact CZ3-OG 3.3Å; A2281-S2285 VanDerWaalsContact O-CB 3.3Å; A2281-S2285 WeakPolarHBondContact O-CB 3.37Å; A2281-S2285 PolarHBondContact O-N 3.13Å; A2281-S2285 PolarHBondContact O-OG 3.13Å; K2282-S2285 WeakPolarHBondContact O-CB 3.31Å; K2282-S2285 PolarHBondContact O-N 3.22Å; E2283-S2285 VanDerWaalsContact C-N 3.25Å; E2283-S2285 PolarHBondContact O-N 3.27Å; S2285-R2289 WeakPolarHBondContact O-CD 3.34Å; S2285-R2289 VanDerWaalsContact O-CG 3.24Å; S2285-R2289 WeakPolarHBondContact O-CG 3.38Å; S2285-R2289 PolarHBondContact O-N 3.28Å; S2285-R2289 VanDerWaalsContact O-N 3.16Å; S2285-R2289 PolarHBondContact O-NE 2.65Å
2286	K	97.6	Very high	97.1	Very high	104 Å²	104	69.9 Å²	69.9	45%	0.452	33%	0.33	S	S	.	.	H	α-helix	trans	-69.2	-48.1	174.1	-75.7	163.4	170.2	176.4	0	111.2	K2282 E2283 I2284 W2288 R2289 R2290	K2282-K2286 WeakPolarHBondContact O-CG 3.41Å; K2282-K2286 PolarHBondContact O-N 3.08Å; E2283-K2286 VanDerWaalsContact CD-NZ 3.32Å; E2283-K2286 WeakPolarHBondContact O-CB 3.39Å; E2283-K2286 PolarHBondContact O-N 3.07Å; E2283-K2286 WeakPolarHBondContact OE1-CD 3.4Å; E2283-K2286 WeakPolarHBondContact OE1-CE 3.37Å; E2283-K2286 IonicContact OE1-NZ 3.02Å; E2283-K2286 PolarHBondContact OE1-NZ 3.09Å; E2283-K2286 WeakPolarHBondContact OE2-CD 3.4Å; E2283-K2286 IonicContact OE2-NZ 3.19Å; E2283-K2286 PolarHBondContact OE2-NZ 3.03Å; I2284-K2286 VanDerWaalsContact C-N 3.34Å; I2284-K2286 PolarHBondContact O-N 3.19Å; K2286-W2288 VanDerWaalsContact C-N 3.32Å; K2286-W2288 PolarHBondContact O-N 3.19Å; K2286-R2289 WeakPolarHBondContact O-CA 3.16Å; K2286-R2289 WeakPolarHBondContact O-CB 3.23Å; K2286-R2289 PolarHBondContact O-N 3.04Å; K2286-R2289 VanDerWaalsContact O-N 3.14Å; K2286-R2290 WeakPolarHBondContact O-CG 3.43Å; K2286-R2290 PolarHBondContact O-N 3.29Å; K2286-R2290 VanDerWaalsContact O-N 3.14Å
2287	L	97.7	Very high	97.2	Very high	34.25 Å²	34.25	66.4 Å²	66.4	18%	0.179	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-45.9	179.5	-68	165	0	0	0	111	H2267 L2270 E2283 I2284 R2289 R2290 L2291	H2267-L2287 HydrophobicContact CB-CD1 4.42Å; H2267-L2287 VanDerWaalsContact CD2-CD1 3.44Å; H2267-L2287 WeakPolarHBondContact CD2-CD1 3.32Å; L2270-L2287 HydrophobicContact CD1-CD1 3.83Å; L2270-L2287 HydrophobicContact CD2-CD1 4.15Å; E2283-L2287 WeakPolarHBondContact O-CB 3.41Å; E2283-L2287 VanDerWaalsContact O-CG 3.27Å; E2283-L2287 WeakPolarHBondContact O-CG 3.4Å; E2283-L2287 PolarHBondContact O-N 3.41Å; I2284-L2287 PolarHBondContact O-N 3.1Å; L2287-R2289 VanDerWaalsContact C-N 3.28Å; L2287-R2289 PolarHBondContact O-N 3.11Å; L2287-R2290 WeakPolarHBondContact O-CB 3.19Å; L2287-R2290 PolarHBondContact O-N 3.19Å; L2287-L2291 PolarHBondContact O-N 3.01Å
2288	W	98	Very high	97.3	Very high	41.5 Å²	41.5	69.8 Å²	69.8	16%	0.157	34%	0.343	C	S	.	.	H	α-helix	trans	-57.7	-38	174.4	-177.7	-110.6	0	0	0	113.4	A2258 P2259 H2262 I2284 K2286 R2290 L2291 R2296 W2299 V2300	A2258-W2288 HydrophobicContact CB-CH2 3.49Å; A2258-W2288 VanDerWaalsContact CB-CH2 3.46Å; A2258-W2288 HydrophobicContact CB-CZ2 4.15Å; A2258-W2288 HydrophobicContact CB-CZ3 3.9Å; P2259-W2288 HydrophobicContact CB-CB 4.06Å; P2259-W2288 HydrophobicContact CB-CD2 4Å; P2259-W2288 HydrophobicContact CB-CE3 4.29Å; P2259-W2288 HydrophobicContact CB-CG 3.88Å; P2259-W2288 HydrophobicContact CG-CB 4.46Å; P2259-W2288 HydrophobicContact CG-CD2 3.69Å; P2259-W2288 HydrophobicContact CG-CE3 4.24Å; P2259-W2288 HydrophobicContact CG-CG 3.77Å; P2259-W2288 HydrophobicContact CG-CZ2 4.43Å; H2262-W2288 HydrophobicContact CB-CE3 4.35Å; H2262-W2288 HydrophobicContact CB-CZ3 4.45Å; I2284-W2288 VanDerWaalsContact O-CB 3.32Å; I2284-W2288 WeakPolarHBondContact O-CB 3.3Å; I2284-W2288 PolarHBondContact O-N 3.13Å; K2286-W2288 VanDerWaalsContact C-N 3.32Å; K2286-W2288 PolarHBondContact O-N 3.19Å; W2288-R2290 VanDerWaalsContact C-N 3.31Å; W2288-R2290 PolarHBondContact O-N 3.49Å; W2288-L2291 HydrophobicContact CE3-CD1 3.89Å; W2288-L2291 HydrophobicContact CZ3-CD1 4.02Å; W2288-R2296 HydrophobicContact CD2-CG 4.25Å; W2288-R2296 HydrophobicContact CE3-CG 4.25Å; W2288-R2296 HydrophobicContact CH2-CB 3.6Å; W2288-R2296 HydrophobicContact CH2-CG 3.69Å; W2288-R2296 HydrophobicContact CZ2-CB 3.76Å; W2288-R2296 HydrophobicContact CZ2-CG 3.67Å; W2288-R2296 HydrophobicContact CZ3-CB 4.26Å; W2288-R2296 HydrophobicContact CZ3-CG 3.98Å; W2288-R2296 PolarHBondContact O-NE 3.14Å; W2288-R2296 PolarHBondContact O-NH2 3.27Å; W2288-W2299 HydrophobicContact CH2-CB 4.07Å; W2288-W2299 HydrophobicContact CZ3-CB 3.75Å; W2288-W2299 HydrophobicContact CZ3-CG 4.2Å; W2288-V2300 HydrophobicContact CH2-CG2 4.14Å; W2288-V2300 HydrophobicContact CZ2-CG2 4.33Å
2289	R	97.5	Very high	97.5	Very high	172.25 Å²	172.25	67.7 Å²	67.7	65%	0.65	33%	0.327	S	S	*	.	H	α-helix	trans	-74.7	-16.3	176.7	-71.7	173.9	-165.5	167	6.4	113.9	S2285 K2286 L2287 R2296	S2285-R2289 WeakPolarHBondContact O-CD 3.34Å; S2285-R2289 VanDerWaalsContact O-CG 3.24Å; S2285-R2289 WeakPolarHBondContact O-CG 3.38Å; S2285-R2289 PolarHBondContact O-N 3.28Å; S2285-R2289 VanDerWaalsContact O-N 3.16Å; S2285-R2289 PolarHBondContact O-NE 2.65Å; K2286-R2289 WeakPolarHBondContact O-CA 3.16Å; K2286-R2289 WeakPolarHBondContact O-CB 3.23Å; K2286-R2289 PolarHBondContact O-N 3.04Å; K2286-R2289 VanDerWaalsContact O-N 3.14Å; L2287-R2289 VanDerWaalsContact C-N 3.28Å; L2287-R2289 PolarHBondContact O-N 3.11Å; R2289-R2296 VanDerWaalsContact C-NH2 3.3Å; R2289-R2296 PolarHBondContact O-NH2 3.28Å
2290	R	97.7	Very high	97.6	Very high	204 Å²	204	68.5 Å²	68.5	77%	0.77	33%	0.332	S	S	*	.	H	α-helix	trans	-84.4	-27.8	177.2	-71.5	173.8	115.6	125.2	0.5	113.4	K2286 L2287 W2288	K2286-R2290 WeakPolarHBondContact O-CG 3.43Å; K2286-R2290 PolarHBondContact O-N 3.29Å; K2286-R2290 VanDerWaalsContact O-N 3.14Å; L2287-R2290 WeakPolarHBondContact O-CB 3.19Å; L2287-R2290 PolarHBondContact O-N 3.19Å; W2288-R2290 VanDerWaalsContact C-N 3.31Å; W2288-R2290 PolarHBondContact O-N 3.49Å
2291	L	97.1	Very high	97.6	Very high	20.5 Å²	20.5	72.6 Å²	72.6	11%	0.107	35%	0.354	C	S	.	.	S	Bend	trans	-59.7	148	172.8	-65.6	-178.8	0	0	0	111.9	L2287 W2288 E2295 R2296	L2287-L2291 PolarHBondContact O-N 3.01Å; W2288-L2291 HydrophobicContact CE3-CD1 3.89Å; W2288-L2291 HydrophobicContact CZ3-CD1 4.02Å; L2291-E2295 HydrophobicContact CB-CB 4.24Å; L2291-E2295 HydrophobicContact CD1-CB 4.49Å; L2291-E2295 HydrophobicContact CD2-CB 4.27Å; L2291-R2296 HydrophobicContact CB-CG 3.85Å; L2291-R2296 HydrophobicContact CD1-CG 4.27Å; L2291-R2296 VanDerWaalsContact O-CZ 3.26Å; L2291-R2296 PolarHBondContact O-NE 3.13Å; L2291-R2296 PolarHBondContact O-NH2 3.17Å
2292	S	97.6	Very high	97.7	Very high	53.75 Å²	53.75	76.1 Å²	76.1	38%	0.376	37%	0.37	S	S	.	.			trans	-66	164.3	167.4	68.6	0	0	0	0	112	E2294 E2295 R2296	S2292-E2294 PolarHBondContact O-N 2.86Å; S2292-E2295 WeakPolarHBondContact CB-OE2 3.43Å; S2292-E2295 PolarHBondContact N-OE2 3.29Å; S2292-E2295 PolarHBondContact O-N 3Å; S2292-E2295 VanDerWaalsContact OG-CG 3.28Å; S2292-E2295 WeakPolarHBondContact OG-CG 3.43Å; S2292-E2295 PolarHBondContact OG-N 3.12Å; S2292-E2295 PolarHBondContact OG-OE2 3.24Å; S2292-R2296 VanDerWaalsContact O-CG 3.28Å; S2292-R2296 WeakPolarHBondContact O-CG 3.41Å; S2292-R2296 PolarHBondContact O-N 3.18Å; S2292-R2296 VanDerWaalsContact O-N 3.11Å
2293	S	96.7	Very high	97.7	Very high	94.75 Å²	94.75	71 Å²	71	66%	0.663	35%	0.349	S	S	*	.	H	α-helix	trans	-64	-29.4	176.3	-62.5	0	0	0	0	113	G2297	S2293-G2297 PolarHBondContact O-N 3.22Å; S2293-G2297 VanDerWaalsContact O-N 3.14Å
2294	E	97.1	Very high	97.7	Very high	166.25 Å²	166.25	77.5 Å²	77.5	78%	0.777	37%	0.372	S	S	*	.	H	α-helix	trans	-71.9	-49.5	178.4	-175	173.1	-179.9	0	0	111.3	S2292 R2296 G2297 T2298	S2292-E2294 PolarHBondContact O-N 2.86Å; E2294-R2296 VanDerWaalsContact C-N 3.33Å; E2294-R2296 PolarHBondContact O-N 2.97Å; E2294-G2297 VanDerWaalsContact O-CA 3.31Å; E2294-G2297 WeakPolarHBondContact O-CA 3.33Å; E2294-G2297 PolarHBondContact O-N 2.96Å; E2294-T2298 PolarHBondContact O-N 3.09Å
2295	E	97.1	Very high	97.7	Very high	91.25 Å²	91.25	81.4 Å²	81.4	43%	0.426	39%	0.393	S	S	.	.	H	α-helix	trans	-59.8	-42.1	174.1	-68.5	163.6	113.5	0	0	111.6	L2291 S2292 G2297 T2298 W2299	L2291-E2295 HydrophobicContact CB-CB 4.24Å; L2291-E2295 HydrophobicContact CD1-CB 4.49Å; L2291-E2295 HydrophobicContact CD2-CB 4.27Å; S2292-E2295 WeakPolarHBondContact CB-OE2 3.43Å; S2292-E2295 PolarHBondContact N-OE2 3.29Å; S2292-E2295 PolarHBondContact O-N 3Å; S2292-E2295 VanDerWaalsContact OG-CG 3.28Å; S2292-E2295 WeakPolarHBondContact OG-CG 3.43Å; S2292-E2295 PolarHBondContact OG-N 3.12Å; S2292-E2295 PolarHBondContact OG-OE2 3.24Å; E2295-G2297 PolarHBondContact O-N 3.25Å; E2295-G2297 VanDerWaalsContact O-N 3.17Å; E2295-T2298 PolarHBondContact O-N 2.93Å; E2295-T2298 VanDerWaalsContact O-N 3.15Å; E2295-T2298 PolarHBondContact O-OG1 3.22Å; E2295-W2299 PolarHBondContact O-N 3Å
2296	R	98.3	Very high	97.8	Very high	61.75 Å²	61.75	81.6 Å²	81.6	23%	0.233	39%	0.393	C	S	.	.	H	α-helix	trans	-59.1	-32.1	173.5	-71.1	-179.5	-160.6	139.5	9.3	112.2	W2288 R2289 L2291 S2292 E2294 T2298 W2299 V2300	W2288-R2296 HydrophobicContact CD2-CG 4.25Å; W2288-R2296 HydrophobicContact CE3-CG 4.25Å; W2288-R2296 HydrophobicContact CH2-CB 3.6Å; W2288-R2296 HydrophobicContact CH2-CG 3.69Å; W2288-R2296 HydrophobicContact CZ2-CB 3.76Å; W2288-R2296 HydrophobicContact CZ2-CG 3.67Å; W2288-R2296 HydrophobicContact CZ3-CB 4.26Å; W2288-R2296 HydrophobicContact CZ3-CG 3.98Å; W2288-R2296 PolarHBondContact O-NE 3.14Å; W2288-R2296 PolarHBondContact O-NH2 3.27Å; R2289-R2296 VanDerWaalsContact C-NH2 3.3Å; R2289-R2296 PolarHBondContact O-NH2 3.28Å; L2291-R2296 HydrophobicContact CB-CG 3.85Å; L2291-R2296 HydrophobicContact CD1-CG 4.27Å; L2291-R2296 VanDerWaalsContact O-CZ 3.26Å; L2291-R2296 PolarHBondContact O-NE 3.13Å; L2291-R2296 PolarHBondContact O-NH2 3.17Å; S2292-R2296 VanDerWaalsContact O-CG 3.28Å; S2292-R2296 WeakPolarHBondContact O-CG 3.41Å; S2292-R2296 PolarHBondContact O-N 3.18Å; S2292-R2296 VanDerWaalsContact O-N 3.11Å; E2294-R2296 VanDerWaalsContact C-N 3.33Å; E2294-R2296 PolarHBondContact O-N 2.97Å; R2296-T2298 VanDerWaalsContact C-N 3.34Å; R2296-T2298 PolarHBondContact O-N 3.49Å; R2296-W2299 PolarHBondContact O-N 3.32Å; R2296-V2300 WeakPolarHBondContact O-CB 3.42Å; R2296-V2300 VanDerWaalsContact O-CG2 3.27Å; R2296-V2300 WeakPolarHBondContact O-CG2 3.34Å; R2296-V2300 PolarHBondContact O-N 3.33Å
2297	G	97.7	Very high	97.7	Very high	29.5 Å²	29.5	82.3 Å²	82.3	30%	0.304	39%	0.393	S	S	.	.	H	α-helix	trans	-60.3	-45.7	175.8	0	0	0	0	0	112.7	S2293 E2294 E2295 V2300 I2301	S2293-G2297 PolarHBondContact O-N 3.22Å; S2293-G2297 VanDerWaalsContact O-N 3.14Å; E2294-G2297 VanDerWaalsContact O-CA 3.31Å; E2294-G2297 WeakPolarHBondContact O-CA 3.33Å; E2294-G2297 PolarHBondContact O-N 2.96Å; E2295-G2297 PolarHBondContact O-N 3.25Å; E2295-G2297 VanDerWaalsContact O-N 3.17Å; G2297-V2300 PolarHBondContact O-N 3.1Å; G2297-I2301 WeakPolarHBondContact O-CG1 3.35Å; G2297-I2301 PolarHBondContact O-N 3.17Å
2298	T	97.9	Very high	97.7	Very high	82 Å²	82	84.6 Å²	84.6	50%	0.503	41%	0.409	S	S	.	.	H	α-helix	trans	-64.3	-44.2	-180	68.1	0	0	0	0	111.4	E2294 E2295 R2296 V2300 I2301 Q2302	E2294-T2298 PolarHBondContact O-N 3.09Å; E2295-T2298 PolarHBondContact O-N 2.93Å; E2295-T2298 VanDerWaalsContact O-N 3.15Å; E2295-T2298 PolarHBondContact O-OG1 3.22Å; R2296-T2298 VanDerWaalsContact C-N 3.34Å; R2296-T2298 PolarHBondContact O-N 3.49Å; T2298-V2300 VanDerWaalsContact C-N 3.33Å; T2298-V2300 PolarHBondContact O-N 3.09Å; T2298-I2301 PolarHBondContact O-N 3.22Å; T2298-Q2302 PolarHBondContact O-N 3.15Å
2299	W	98.4	Very high	97.4	Very high	36.25 Å²	36.25	85.1 Å²	85.1	14%	0.137	42%	0.416	C	S	.	.	H	α-helix	trans	-65.1	-33.7	175.8	-63.7	112.2	0	0	0	113.3	A2258 L2261 H2262 I2265 S2266 W2288 E2295 R2296 Q2302 A2303	A2258-W2299 VanDerWaalsContact CB-C 3.49Å; A2258-W2299 HydrophobicContact CB-CB 3.99Å; A2258-W2299 WeakPolarHBondContact CB-O 3.34Å; L2261-W2299 HydrophobicContact CD2-CE3 4.21Å; L2261-W2299 HydrophobicContact CG-CE3 4Å; L2261-W2299 HydrophobicContact CG-CZ3 4.26Å; H2262-W2299 HydrophobicContact CB-CD2 3.85Å; H2262-W2299 HydrophobicContact CB-CE3 4.24Å; H2262-W2299 HydrophobicContact CB-CG 4.03Å; H2262-W2299 AromaticContact CD2-CE2 3.44Å; H2262-W2299 VanDerWaalsContact CD2-CE2 3.43Å; H2262-W2299 AromaticContact CD2-CZ2 3.6Å; H2262-W2299 AromaticContact CD2-NE1 3.39Å; H2262-W2299 PolarHBondContact CD2-NE1 3.05Å; H2262-W2299 VanDerWaalsContact CD2-NE1 3.33Å; H2262-W2299 AromaticContact CG-NE1 3.99Å; I2265-W2299 HydrophobicContact CB-CH2 3.99Å; I2265-W2299 HydrophobicContact CB-CZ3 4.08Å; I2265-W2299 HydrophobicContact CD1-CH2 4.35Å; I2265-W2299 HydrophobicContact CD1-CZ3 3.92Å; I2265-W2299 HydrophobicContact CG1-CZ3 4.45Å; I2265-W2299 HydrophobicContact CG2-CH2 3.82Å; I2265-W2299 HydrophobicContact CG2-CZ3 4.26Å; S2266-W2299 WeakPolarHBondContact OG-CZ2 3.26Å; W2288-W2299 HydrophobicContact CH2-CB 4.07Å; W2288-W2299 HydrophobicContact CZ3-CB 3.75Å; W2288-W2299 HydrophobicContact CZ3-CG 4.2Å; E2295-W2299 PolarHBondContact O-N 3Å; R2296-W2299 PolarHBondContact O-N 3.32Å; W2299-Q2302 VanDerWaalsContact CE3-OE1 3.27Å; W2299-Q2302 VanDerWaalsContact CZ3-OE1 3.26Å; W2299-A2303 VanDerWaalsContact O-CB 3.25Å; W2299-A2303 WeakPolarHBondContact O-CB 3.4Å; W2299-A2303 PolarHBondContact O-N 3.25Å
2300	V	98.4	Very high	97.1	Very high	75.75 Å²	75.75	79.1 Å²	79.1	46%	0.459	40%	0.397	S	S	.	.	H	α-helix	trans	-67.3	-41.3	173.7	167	0	0	0	0	111.4	A2258 W2288 R2296 G2297 T2298 R2304	A2258-V2300 HydrophobicContact CB-CB 4.44Å; A2258-V2300 HydrophobicContact CB-CG2 3.77Å; W2288-V2300 HydrophobicContact CH2-CG2 4.14Å; W2288-V2300 HydrophobicContact CZ2-CG2 4.33Å; R2296-V2300 WeakPolarHBondContact O-CB 3.42Å; R2296-V2300 VanDerWaalsContact O-CG2 3.27Å; R2296-V2300 WeakPolarHBondContact O-CG2 3.34Å; R2296-V2300 PolarHBondContact O-N 3.33Å; G2297-V2300 PolarHBondContact O-N 3.1Å; T2298-V2300 VanDerWaalsContact C-N 3.33Å; T2298-V2300 PolarHBondContact O-N 3.09Å; V2300-R2304 WeakPolarHBondContact O-CB 3.38Å; V2300-R2304 PolarHBondContact O-N 3.23Å
2301	I	98.1	Very high	96.8	Very high	104.25 Å²	104.25	77 Å²	77	54%	0.535	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-47.3	174.8	-66.3	164	0	0	0	110.1	G2297 T2298 A2303 R2304 N2305	G2297-I2301 WeakPolarHBondContact O-CG1 3.35Å; G2297-I2301 PolarHBondContact O-N 3.17Å; T2298-I2301 PolarHBondContact O-N 3.22Å; I2301-A2303 PolarHBondContact O-N 3.07Å; I2301-R2304 WeakPolarHBondContact O-CB 3.34Å; I2301-R2304 PolarHBondContact O-N 3.33Å; I2301-R2304 VanDerWaalsContact O-N 3.14Å; I2301-N2305 VanDerWaalsContact O-CG 3.24Å; I2301-N2305 PolarHBondContact O-N 3.24Å; I2301-N2305 PolarHBondContact O-OD1 3.15Å
2302	Q	98	Very high	96.1	Very high	73.5 Å²	73.5	78.8 Å²	78.8	34%	0.343	40%	0.403	S	S	.	.	H	α-helix	trans	-63.6	-41.9	179.5	-163	-176.5	15.2	0	0	112.3	L2261 T2298 W2299 R2304 N2305 N2306	L2261-Q2302 HydrophobicContact CD2-CB 3.8Å; L2261-Q2302 HydrophobicContact CD2-CG 3.83Å; T2298-Q2302 PolarHBondContact O-N 3.15Å; W2299-Q2302 VanDerWaalsContact CE3-OE1 3.27Å; W2299-Q2302 VanDerWaalsContact CZ3-OE1 3.26Å; Q2302-R2304 VanDerWaalsContact C-N 3.31Å; Q2302-R2304 PolarHBondContact O-N 2.93Å; Q2302-N2305 WeakPolarHBondContact O-CB 3.38Å; Q2302-N2305 PolarHBondContact O-N 3.21Å; Q2302-N2305 VanDerWaalsContact O-N 3.15Å; Q2302-N2306 PolarHBondContact O-N 3.04Å; Q2302-N2306 PolarHBondContact O-OD1 2.85Å
2303	A	98.4	Very high	95	Very high	4.25 Å²	4.25	81.5 Å²	81.5	4%	0.035	41%	0.414	C	S	.	.	H	α-helix	trans	-65.8	-31.6	175.1	0	0	0	0	0	113	A2258 L2261 W2299 I2301 R2307	A2258-A2303 HydrophobicContact CB-CB 4.02Å; L2261-A2303 HydrophobicContact CD2-CB 3.95Å; W2299-A2303 VanDerWaalsContact O-CB 3.25Å; W2299-A2303 WeakPolarHBondContact O-CB 3.4Å; W2299-A2303 PolarHBondContact O-N 3.25Å; I2301-A2303 PolarHBondContact O-N 3.07Å; A2303-R2307 PolarHBondContact O-N 3.23Å; A2303-R2307 VanDerWaalsContact O-N 3.13Å
2304	R	98	Very high	93.5	Very high	167 Å²	167	84.2 Å²	84.2	63%	0.63	42%	0.416	S	S	*	.	H	α-helix	trans	-67.5	-42.9	170.7	-177.3	178.8	179	170.3	-0.6	111	V2300 I2301 Q2302 R2307 T2308	V2300-R2304 WeakPolarHBondContact O-CB 3.38Å; V2300-R2304 PolarHBondContact O-N 3.23Å; I2301-R2304 WeakPolarHBondContact O-CB 3.34Å; I2301-R2304 PolarHBondContact O-N 3.33Å; I2301-R2304 VanDerWaalsContact O-N 3.14Å; Q2302-R2304 VanDerWaalsContact C-N 3.31Å; Q2302-R2304 PolarHBondContact O-N 2.93Å; R2304-R2307 WeakPolarHBondContact O-CB 3.33Å; R2304-R2307 PolarHBondContact O-N 3.27Å; R2304-R2307 VanDerWaalsContact O-N 3.13Å; R2304-T2308 PolarHBondContact O-N 3.37Å; R2304-T2308 VanDerWaalsContact O-N 3.11Å; R2304-T2308 PolarHBondContact O-OG1 3.35Å
2305	N	97.8	Very high	91.7	Very high	83.5 Å²	83.5	81.7 Å²	81.7	45%	0.447	41%	0.412	S	S	.	.	H	α-helix	trans	-63.4	-44.3	176.9	-65.3	-7.5	0	0	0	111.2	I2301 Q2302 R2307 T2308 T2309	I2301-N2305 VanDerWaalsContact O-CG 3.24Å; I2301-N2305 PolarHBondContact O-N 3.24Å; I2301-N2305 PolarHBondContact O-OD1 3.15Å; Q2302-N2305 WeakPolarHBondContact O-CB 3.38Å; Q2302-N2305 PolarHBondContact O-N 3.21Å; Q2302-N2305 VanDerWaalsContact O-N 3.15Å; N2305-R2307 VanDerWaalsContact C-N 3.27Å; N2305-R2307 PolarHBondContact O-N 3.07Å; N2305-T2308 WeakPolarHBondContact CA-OG1 3.21Å; N2305-T2308 WeakPolarHBondContact O-CA 3.32Å; N2305-T2308 PolarHBondContact O-N 3.06Å; N2305-T2308 PolarHBondContact O-OG1 3.02Å; N2305-T2309 WeakPolarHBondContact O-CG2 3.4Å; N2305-T2309 PolarHBondContact O-N 3.03Å; N2305-T2309 PolarHBondContact O-OG1 3.2Å
2306	N	97.8	Very high	89.6	Confident	12.5 Å²	12.5	83.4 Å²	83.4	7%	0.067	42%	0.424	C	S	.	.	H	α-helix	trans	-58.8	-36.3	173.1	-73.1	-5.6	0	0	0	112.4	G2253 Q2254 S2255 L2261 Q2302 T2308 T2309 L2310	G2253-N2306 PolarHBondContact O-ND2 3.1Å; Q2254-N2306 VanDerWaalsContact C-ND2 3.33Å; Q2254-N2306 WeakPolarHBondContact CA-ND2 3.46Å; Q2254-N2306 PolarHBondContact NE2-OD1 3.31Å; S2255-N2306 WeakPolarHBondContact O-CB 3.24Å; S2255-N2306 PolarHBondContact O-ND2 3.22Å; L2261-N2306 WeakPolarHBondContact CD1-ND2 3.4Å; Q2302-N2306 PolarHBondContact O-N 3.04Å; Q2302-N2306 PolarHBondContact O-OD1 2.85Å; N2306-T2308 VanDerWaalsContact C-N 3.31Å; N2306-T2308 PolarHBondContact O-N 3.03Å; N2306-T2309 VanDerWaalsContact CA-OG1 3.32Å; N2306-T2309 WeakPolarHBondContact CA-OG1 3.35Å; N2306-T2309 PolarHBondContact O-N 3Å; N2306-T2309 PolarHBondContact O-OG1 3.32Å; N2306-T2309 VanDerWaalsContact O-OG1 3.07Å; N2306-L2310 WeakPolarHBondContact O-CB 3.44Å; N2306-L2310 WeakPolarHBondContact O-CG 3.4Å; N2306-L2310 PolarHBondContact O-N 3.25Å; N2306-L2310 VanDerWaalsContact O-N 3.07Å
2307	R	97.3	Very high	87.4	Confident	119.25 Å²	119.25	87.1 Å²	87.1	45%	0.45	45%	0.447	S	S	.	.	H	α-helix	trans	-67.2	-30.7	173.7	-168.5	176.9	-62.6	168.9	6.2	112.7	T2256 A2303 R2304 N2305 R2311	T2256-R2307 HydrophobicContact CG2-CB 4.17Å; T2256-R2307 HydrophobicContact CG2-CG 4.43Å; T2256-R2307 PolarHBondContact O-NH2 3.2Å; T2256-R2307 VanDerWaalsContact O-NH2 3.07Å; A2303-R2307 PolarHBondContact O-N 3.23Å; A2303-R2307 VanDerWaalsContact O-N 3.13Å; R2304-R2307 WeakPolarHBondContact O-CB 3.33Å; R2304-R2307 PolarHBondContact O-N 3.27Å; R2304-R2307 VanDerWaalsContact O-N 3.13Å; N2305-R2307 VanDerWaalsContact C-N 3.27Å; N2305-R2307 PolarHBondContact O-N 3.07Å; R2307-R2311 WeakPolarHBondContact O-CD 3.49Å; R2307-R2311 VanDerWaalsContact O-CG 3.29Å; R2307-R2311 WeakPolarHBondContact O-CG 3.41Å; R2307-R2311 PolarHBondContact O-N 2.98Å
2308	T	95.8	Very high	84.7	Confident	83.5 Å²	83.5	90.7 Å²	90.7	51%	0.512	47%	0.465	S	S	.	.	H	α-helix	trans	-75.9	-42.1	174.2	50.5	0	0	0	0	112.4	R2304 N2305 N2306 L2310 R2311 S2312	R2304-T2308 PolarHBondContact O-N 3.37Å; R2304-T2308 VanDerWaalsContact O-N 3.11Å; R2304-T2308 PolarHBondContact O-OG1 3.35Å; N2305-T2308 WeakPolarHBondContact CA-OG1 3.21Å; N2305-T2308 WeakPolarHBondContact O-CA 3.32Å; N2305-T2308 PolarHBondContact O-N 3.06Å; N2305-T2308 PolarHBondContact O-OG1 3.02Å; N2306-T2308 VanDerWaalsContact C-N 3.31Å; N2306-T2308 PolarHBondContact O-N 3.03Å; T2308-L2310 PolarHBondContact O-N 3.35Å; T2308-R2311 PolarHBondContact O-N 3.25Å; T2308-R2311 VanDerWaalsContact O-N 3.15Å; T2308-S2312 PolarHBondContact O-N 2.9Å; T2308-S2312 VanDerWaalsContact O-N 3.08Å; T2308-S2312 PolarHBondContact O-OG 3.25Å
2309	T	93.6	Very high	82.2	Confident	51.25 Å²	51.25	93.6 Å²	93.6	31%	0.314	48%	0.482	S	S	.	.	H	α-helix	trans	-66.8	-41.1	179.2	55.4	0	0	0	0	112.5	Q2254 N2305 N2306 R2311 S2312 N2313	Q2254-T2309 PolarHBondContact OE1-OG1 3.44Å; N2305-T2309 WeakPolarHBondContact O-CG2 3.4Å; N2305-T2309 PolarHBondContact O-N 3.03Å; N2305-T2309 PolarHBondContact O-OG1 3.2Å; N2306-T2309 VanDerWaalsContact CA-OG1 3.32Å; N2306-T2309 WeakPolarHBondContact CA-OG1 3.35Å; N2306-T2309 PolarHBondContact O-N 3Å; N2306-T2309 PolarHBondContact O-OG1 3.32Å; N2306-T2309 VanDerWaalsContact O-OG1 3.07Å; T2309-R2311 VanDerWaalsContact C-N 3.28Å; T2309-R2311 PolarHBondContact O-N 3.2Å; T2309-S2312 WeakPolarHBondContact CA-OG 3.42Å; T2309-S2312 PolarHBondContact O-N 3.02Å; T2309-S2312 PolarHBondContact O-OG 2.9Å; T2309-N2313 WeakPolarHBondContact O-CB 3.4Å; T2309-N2313 VanDerWaalsContact O-CG 3.26Å; T2309-N2313 PolarHBondContact O-N 3.09Å; T2309-N2313 VanDerWaalsContact O-N 3.1Å; T2309-N2313 PolarHBondContact O-ND2 3.24Å; T2309-N2313 PolarHBondContact O-OD1 3.04Å
2310	L	90.8	Very high	79.6	Confident	46.75 Å²	46.75	97.3 Å²	97.3	25%	0.245	51%	0.509	C	S	.	.	H	α-helix	trans	-68	-21.8	176.1	-70.7	174.6	0	0	0	113.2	L2251 Q2254 T2256 N2306 T2308 Q2314	L2251-L2310 HydrophobicContact CD1-CD1 3.84Å; L2251-L2310 HydrophobicContact CD2-CD1 4.44Å; Q2254-L2310 HydrophobicContact CB-CD1 4.38Å; Q2254-L2310 WeakPolarHBondContact O-CD1 3.41Å; T2256-L2310 HydrophobicContact CG2-CD1 3.72Å; N2306-L2310 WeakPolarHBondContact O-CB 3.44Å; N2306-L2310 WeakPolarHBondContact O-CG 3.4Å; N2306-L2310 PolarHBondContact O-N 3.25Å; N2306-L2310 VanDerWaalsContact O-N 3.07Å; T2308-L2310 PolarHBondContact O-N 3.35Å; L2310-Q2314 PolarHBondContact O-N 3.09Å; L2310-Q2314 PolarHBondContact O-NE2 3.26Å
2311	R	90	Very high	77.2	Confident	160.25 Å²	160.25	101.8 Å²	101.8	61%	0.605	53%	0.528	S	S	*	.	H	α-helix	trans	-79.1	-46.5	171.9	-75.9	177.9	94.9	-174.1	1	111.8	R2307 T2308 T2309 N2313 Q2314 T2315	R2307-R2311 WeakPolarHBondContact O-CD 3.49Å; R2307-R2311 VanDerWaalsContact O-CG 3.29Å; R2307-R2311 WeakPolarHBondContact O-CG 3.41Å; R2307-R2311 PolarHBondContact O-N 2.98Å; T2308-R2311 PolarHBondContact O-N 3.25Å; T2308-R2311 VanDerWaalsContact O-N 3.15Å; T2309-R2311 VanDerWaalsContact C-N 3.28Å; T2309-R2311 PolarHBondContact O-N 3.2Å; R2311-N2313 VanDerWaalsContact C-N 3.29Å; R2311-N2313 PolarHBondContact O-N 3.12Å; R2311-Q2314 PolarHBondContact O-N 3.19Å; R2311-Q2314 VanDerWaalsContact O-N 3.1Å; R2311-T2315 PolarHBondContact O-N 2.86Å; R2311-T2315 PolarHBondContact O-OG1 3.27Å
2312	S	84	Confident	74.3	Confident	57.75 Å²	57.75	100.6 Å²	100.6	40%	0.404	54%	0.54	S	S	.	.	H	α-helix	trans	-60	-34.7	177.6	55.7	0	0	0	0	112.5	T2308 T2309 Q2314 T2315 N2316	T2308-S2312 PolarHBondContact O-N 2.9Å; T2308-S2312 VanDerWaalsContact O-N 3.08Å; T2308-S2312 PolarHBondContact O-OG 3.25Å; T2309-S2312 WeakPolarHBondContact CA-OG 3.42Å; T2309-S2312 PolarHBondContact O-N 3.02Å; T2309-S2312 PolarHBondContact O-OG 2.9Å; S2312-Q2314 PolarHBondContact O-N 3.14Å; S2312-T2315 PolarHBondContact O-N 3.04Å; S2312-N2316 PolarHBondContact O-ND2 3.18Å
2313	N	74.1	Confident	71.6	Confident	111.25 Å²	111.25	102.8 Å²	102.8	60%	0.595	56%	0.564	S	S	*	*	H	α-helix	trans	-75.3	-25.3	-178.3	-65.2	-0.1	0	0	0	113.2	T2309 R2311 T2315 N2316	T2309-N2313 WeakPolarHBondContact O-CB 3.4Å; T2309-N2313 VanDerWaalsContact O-CG 3.26Å; T2309-N2313 PolarHBondContact O-N 3.09Å; T2309-N2313 VanDerWaalsContact O-N 3.1Å; T2309-N2313 PolarHBondContact O-ND2 3.24Å; T2309-N2313 PolarHBondContact O-OD1 3.04Å; R2311-N2313 VanDerWaalsContact C-N 3.29Å; R2311-N2313 PolarHBondContact O-N 3.12Å; N2313-T2315 PolarHBondContact O-N 3.31Å; N2313-N2316 PolarHBondContact O-N 3.38Å
2314	Q	64.9	Low	69	Low	150.75 Å²	150.75	108.8 Å²	108.8	70%	0.704	60%	0.6	S	S	*	*	H	α-helix	trans	-77.4	-21.1	174	-77.2	-179.7	61.5	0	0	113.2	L2310 R2311 S2312 N2316	L2310-Q2314 PolarHBondContact O-N 3.09Å; L2310-Q2314 PolarHBondContact O-NE2 3.26Å; R2311-Q2314 PolarHBondContact O-N 3.19Å; R2311-Q2314 VanDerWaalsContact O-N 3.1Å; S2312-Q2314 PolarHBondContact O-N 3.14Å; Q2314-N2316 VanDerWaalsContact C-N 3.33Å; Q2314-N2316 PolarHBondContact O-N 3.08Å
2315	T	59.2	Low	66.1	Low	113.5 Å²	113.5	104.4 Å²	104.4	70%	0.696	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	2.4	-177.8	-38.9	0	0	0	0	113.4	R2311 S2312 N2313	R2311-T2315 PolarHBondContact O-N 2.86Å; R2311-T2315 PolarHBondContact O-OG1 3.27Å; S2312-T2315 PolarHBondContact O-N 3.04Å; N2313-T2315 PolarHBondContact O-N 3.31Å
2316	N	52.6	Low	63.9	Low	127.5 Å²	127.5	107.6 Å²	107.6	68%	0.682	62%	0.622	S	S	*	*			trans	-120.3	41.7	-171.2	-77.2	-80.9	0	0	0	113.6	S2312 N2313 Q2314 P2318	S2312-N2316 PolarHBondContact O-ND2 3.18Å; N2313-N2316 PolarHBondContact O-N 3.38Å; Q2314-N2316 VanDerWaalsContact C-N 3.33Å; Q2314-N2316 PolarHBondContact O-N 3.08Å; N2316-P2318 WeakPolarHBondContact O-CD 3.13Å
2317	I	52	Low	61	Low	138.25 Å²	138.25	110.6 Å²	110.6	71%	0.709	65%	0.649	S	S	*	*			trans	-105.4	111.5	170.3	-43.6	176.3	0	0	0	108.9	T2319	I2317-T2319 PolarHBondContact O-N 3.15Å
2318	P	42.5	Very low	58.2	Low	106.25 Å²	106.25	111.9 Å²	111.9	69%	0.69	67%	0.665	S	S	*	*			trans	-79.7	114.9	179.1	-11.8	29.1	0	0	0	111.4	N2316 T2320	N2316-P2318 WeakPolarHBondContact O-CD 3.13Å; P2318-T2320 WeakPolarHBondContact CB-OG1 3.45Å; P2318-T2320 PolarHBondContact O-N 3.12Å
2319	T	45.4	Very low	55.3	Low	141.5 Å²	141.5	113.1 Å²	113.1	87%	0.868	67%	0.672	S	S	*	*			trans	-73.3	80.2	173.6	-49.7	0	0	0	0	110.6	I2317 M2321	I2317-T2319 PolarHBondContact O-N 3.15Å; T2319-M2321 PolarHBondContact O-N 2.67Å
2320	T	42.3	Very low	52.9	Low	114.5 Å²	114.5	117.8 Å²	117.8	70%	0.702	69%	0.692	S	S	*	*			trans	-114.3	90.8	-175.7	-54.3	0	0	0	0	111.6	P2318	P2318-T2320 WeakPolarHBondContact CB-OG1 3.45Å; P2318-T2320 PolarHBondContact O-N 3.12Å
2321	M	48.5	Very low	50.4	Low	171.5 Å²	171.5	120.5 Å²	120.5	85%	0.845	71%	0.712	S	S	*	*	S	Bend	trans	147.9	127.2	177.1	-57.1	-65.4	-81.3	0	0	110.8	T2319 M2696	T2319-M2321 PolarHBondContact O-N 2.67Å; M2321-M2696 HydrophobicContact CE-CE 4.35Å; M2321-M2696 HydrophobicContact CG-CE 4.3Å; M2321-M2696 HydrophobicContact CG-SD 4.24Å; M2321-M2696 HydrophobicContact SD-CE 4.24Å
2322	G	38.1	Very low	48.3	Very low	77.75 Å²	77.75	118.2 Å²	118.2	80%	0.802	72%	0.718	S	S	*	*				171.4	102.3	64.1	0	0	0	0	0	112.9	V2324	G2322-V2324 PolarHBondContact O-N 2.77Å
2323	S	41.6	Very low	46	Very low	120.75 Å²	120.75	121.1 Å²	121.1	84%	0.844	73%	0.734	S	S	*	*			trans	-113.7	96.9	169.5	-171.1	0	0	0	0	110.5	G2325	S2323-G2325 PolarHBondContact O-N 3.41Å
2324	V	43.9	Very low	44.2	Very low	128.75 Å²	128.75	123.9 Å²	123.9	78%	0.78	74%	0.743	S	S	*	*			trans	-109	100.2	165.8	178.8	0	0	0	0	107.1	G2322 I2326	G2322-V2324 PolarHBondContact O-N 2.77Å; V2324-I2326 HydrophobicContact CG1-CD1 4.45Å; V2324-I2326 HydrophobicContact CG1-CG1 4.19Å; V2324-I2326 PolarHBondContact O-N 3.1Å
2325	G	36.7	Very low	42.9	Very low	74.5 Å²	74.5	122.1 Å²	122.1	77%	0.768	74%	0.744	S	S	*	*			trans	-76.3	120.9	172.4	0	0	0	0	0	110.8	S2323	S2323-G2325 PolarHBondContact O-N 3.41Å
2326	I	50.3	Low	41.5	Very low	150.75 Å²	150.75	125 Å²	125	77%	0.773	74%	0.744	S	S	*	*			trans	-125.3	113.8	161.9	-38.7	179.2	0	0	0	107.9	V2324 N2328	V2324-I2326 HydrophobicContact CG1-CD1 4.45Å; V2324-I2326 HydrophobicContact CG1-CG1 4.19Å; V2324-I2326 PolarHBondContact O-N 3.1Å; I2326-N2328 PolarHBondContact O-N 2.99Å
2327	A	37.1	Very low	40.5	Very low	77.25 Å²	77.25	124.7 Å²	124.7	64%	0.638	75%	0.75	S	S	*	*			trans	-57.5	141.3	173	0	0	0	0	0	114
2328	N	38.7	Very low	39.6	Very low	146.25 Å²	146.25	124.7 Å²	124.7	78%	0.782	75%	0.747	S	S	*	*			trans	96.7	121.6	149.9	-62.6	-27.8	0	0	0	116.7	I2326	I2326-N2328 PolarHBondContact O-N 2.99Å
2329	T	36.1	Very low	39.5	Very low	108.75 Å²	108.75	124.9 Å²	124.9	67%	0.667	75%	0.749	S	S	*	*				91.1	115.3	115.2	-44.4	0	0	0	0	115.2	T1800	T1800-T2329 HydrophobicContact CG2-CG2 3.67Å
2330	M	41.8	Very low	38.9	Very low	148.5 Å²	148.5	122.5 Å²	122.5	73%	0.732	74%	0.738	S	S	*	*			trans	88.1	121.9	150.5	-63.8	-92.8	103.7	0	0	118.4	T1798 P2332	T1798-M2330 VanDerWaalsContact CG2-CA 3.41Å; T1798-M2330 HydrophobicContact CG2-CB 3.34Å; T1798-M2330 HydrophobicContact CG2-CE 3.62Å; T1798-M2330 HydrophobicContact CG2-CG 3.41Å; T1798-M2330 VanDerWaalsContact CG2-CG 3.41Å; T1798-M2330 HydrophobicContact CG2-SD 3.25Å; T1798-M2330 WeakPolarHBondContact CG2-SD 3.47Å; M2330-P2332 WeakPolarHBondContact O-CD 3.39Å
2331	P	38.7	Very low	38.5	Very low	103.25 Å²	103.25	123.3 Å²	123.3	67%	0.67	74%	0.743	S	S	*	*			trans	-92.5	145.1	166.5	35.3	-31.2	0	0	0	112.2	N1797 T1798 T2333	N1797-P2331 CarbonylContact C-O 3.05Å; N1797-P2331 WeakPolarHBondContact CA-O 3.47Å; N1797-P2331 PolarHBondContact N-O 3.49Å; T1798-P2331 WeakPolarHBondContact CG2-O 3.42Å; T1798-P2331 PolarHBondContact N-O 3.39Å; P2331-T2333 PolarHBondContact O-N 2.78Å
2332	P	46.1	Very low	37.9	Very low	113.25 Å²	113.25	122.6 Å²	122.6	74%	0.735	74%	0.742	S	S	*	*			trans	-98.9	150.4	-178.5	34.9	-29.1	0	0	0	111.9	M2330	M2330-P2332 WeakPolarHBondContact O-CD 3.39Å
2333	T	35.3	Very low	37.7	Very low	118 Å²	118	122.5 Å²	122.5	72%	0.724	73%	0.733	S	S	*	*			trans	-103.4	138.4	161.4	-33.2	0	0	0	0	113.8	C1795 P2331 P2335	C1795-T2333 VanDerWaalsContact C-OG1 3.27Å; C1795-T2333 WeakPolarHBondContact O-CG2 3.31Å; C1795-T2333 PolarHBondContact O-OG1 3.06Å; P2331-T2333 PolarHBondContact O-N 2.78Å; T2333-P2335 WeakPolarHBondContact O-CD 3.46Å
2334	Q	36.5	Very low	37.3	Very low	169.75 Å²	169.75	123.8 Å²	123.8	79%	0.793	73%	0.731	S	S	*	*			trans	-87.7	140.2	170.6	-83.5	-124.2	-12.1	0	0	111.6	Y2336	Q2334-Y2336 PolarHBondContact O-N 3.17Å
2335	P	38	Very low	36.8	Very low	112.75 Å²	112.75	125.7 Å²	125.7	73%	0.732	73%	0.731	S	S	*	*			trans	-98.3	116.6	154.8	16.2	-0.6	0	0	0	113.1	T2333 C2337	T2333-P2335 WeakPolarHBondContact O-CD 3.46Å; P2335-C2337 PolarHBondContact O-N 3.17Å
2336	Y	28.3	Very low	36.6	Very low	175.75 Å²	175.75	127.4 Å²	127.4	69%	0.689	73%	0.727	S	S	*	*			trans	-48.1	125.8	157.9	-178.4	-92.2	0	0	0	113.8	Q2334 Q2338	Q2334-Y2336 PolarHBondContact O-N 3.17Å; Y2336-Q2338 HydrophobicContact CD1-CG 4.32Å; Y2336-Q2338 HydrophobicContact CE1-CG 3.69Å; Y2336-Q2338 HydrophobicContact CE2-CG 4.11Å; Y2336-Q2338 WeakPolarHBondContact OH-CG 3.39Å; Y2336-Q2338 PolarHBondContact OH-NE2 3.16Å; Y2336-Q2338 VanDerWaalsContact OH-NE2 3.11Å; Y2336-Q2338 PolarHBondContact OH-OE1 3.35Å
2337	C	33	Very low	36	Very low	120 Å²	120	127.2 Å²	127.2	81%	0.811	73%	0.726	S	S	*	*			trans	-148	131.5	153.6	-89.5	0	0	0	0	112.2	P2335	P2335-C2337 PolarHBondContact O-N 3.17Å
2338	Q	33	Very low	36.1	Very low	138.5 Å²	138.5	129 Å²	129	65%	0.647	73%	0.731	S	S	*	*			trans	-102.8	178.7	178.8	-66.4	-157	-26.1	0	0	111.4	Y2336 S2340	Y2336-Q2338 HydrophobicContact CD1-CG 4.32Å; Y2336-Q2338 HydrophobicContact CE1-CG 3.69Å; Y2336-Q2338 HydrophobicContact CE2-CG 4.11Å; Y2336-Q2338 WeakPolarHBondContact OH-CG 3.39Å; Y2336-Q2338 PolarHBondContact OH-NE2 3.16Å; Y2336-Q2338 VanDerWaalsContact OH-NE2 3.11Å; Y2336-Q2338 PolarHBondContact OH-OE1 3.35Å; Q2338-S2340 PolarHBondContact OE1-OG 3.26Å
2339	P	40.2	Very low	35.8	Very low	111 Å²	111	129.4 Å²	129.4	72%	0.721	73%	0.732	S	S	*	*			trans	-112	160	-149.6	28.4	-12.1	0	0	0	112.1
2340	S	33	Very low	35.7	Very low	92 Å²	92	132.5 Å²	132.5	64%	0.643	74%	0.739	S	S	*	*			trans	-169.6	130.9	150.1	-64.2	0	0	0	0	113.9	Q2338	Q2338-S2340 PolarHBondContact OE1-OG 3.26Å
2341	T	33.8	Very low	35.4	Very low	130 Å²	130	130.8 Å²	130.8	80%	0.798	74%	0.742	S	S	*	*			trans	59.3	148.6	141.4	68.6	0	0	0	0	117.2
2342	L	35	Very low	35.2	Very low	157 Å²	157	128.8 Å²	128.8	82%	0.822	74%	0.74	S	S	*	*			cis	-159.5	141.1	24.7	-170.2	66.3	0	0	0	112.1
2343	A	34.5	Very low	34.6	Very low	76.25 Å²	76.25	128.1 Å²	128.1	63%	0.63	74%	0.738	S	S	*	*			trans	61	130.3	153	0	0	0	0	0	120.7
2344	N	33	Very low	34.6	Very low	147.5 Å²	147.5	128.8 Å²	128.8	79%	0.789	74%	0.737	S	S	*	*				95.2	122.2	90	-88.8	-4.9	0	0	0	116.9
2345	Q	34.1	Very low	34.4	Very low	169.25 Å²	169.25	128.4 Å²	128.4	79%	0.791	74%	0.74	S	S	*	*				145.9	126.4	100.7	-72.3	-159.5	89	0	0	116.6
2346	T	33.2	Very low	34.1	Very low	110 Å²	110	127.7 Å²	127.7	68%	0.675	74%	0.737	S	S	*	*				78.4	101.4	104.7	-58.1	0	0	0	0	118.1
2347	I	37.5	Very low	34.3	Very low	146 Å²	146	129.5 Å²	129.5	75%	0.749	75%	0.745	S	S	*	*				45.4	136.3	115.8	-51.3	174.5	0	0	0	117.6	L2349	I2347-L2349 HydrophobicContact CG2-CD1 4.14Å; I2347-L2349 HydrophobicContact CG2-CG 4.48Å
2348	P	37.6	Very low	34.4	Very low	114.25 Å²	114.25	129 Å²	129	74%	0.742	74%	0.74	S	S	*	*				-125.2	176.5	104.9	23.8	-0.8	0	0	0	117
2349	L	33.4	Very low	34.5	Very low	155.25 Å²	155.25	129.1 Å²	129.1	81%	0.813	74%	0.743	S	S	*	*			trans	118.9	141.3	153.9	-67.3	167.6	0	0	0	114.3	I2347	I2347-L2349 HydrophobicContact CG2-CD1 4.14Å; I2347-L2349 HydrophobicContact CG2-CG 4.48Å
2350	Q	34.5	Very low	34.2	Very low	173.5 Å²	173.5	131.9 Å²	131.9	81%	0.811	75%	0.747	S	S	*	*				179.2	141.6	127.5	-104.1	159.3	52.3	0	0	111.2
2351	S	34.6	Very low	34.3	Very low	112.5 Å²	112.5	131.2 Å²	131.2	79%	0.787	74%	0.742	S	S	*	*			cis	129.1	141.2	47.8	-98	0	0	0	0	112.2
2352	G	34.2	Very low	34.8	Very low	61.5 Å²	61.5	129.5 Å²	129.5	63%	0.634	73%	0.733	S	S	*	*			trans	114.8	118.3	163.9	0	0	0	0	0	114.2
2353	S	34.7	Very low	34.9	Very low	99.5 Å²	99.5	126.4 Å²	126.4	70%	0.696	72%	0.721	S	S	*	*				70.8	143.4	103.3	-25.3	0	0	0	0	113.8
2354	D	34.2	Very low	34.9	Very low	133.5 Å²	133.5	125.4 Å²	125.4	71%	0.714	71%	0.713	S	S	*	*			cis	-178.4	157.5	36.9	-101.9	-39.7	0	0	0	114.7
2355	L	33	Very low	35	Very low	160.75 Å²	160.75	127.8 Å²	127.8	84%	0.842	71%	0.712	S	S	*	*			trans	54.9	154.6	152.3	-61.3	163.8	0	0	0	118.6
2356	S	31.1	Very low	35.1	Very low	97.5 Å²	97.5	125 Å²	125	68%	0.682	71%	0.706	S	S	*	*				152.7	137.6	52.8	-167.4	0	0	0	0	112.5
2357	Y	32.1	Very low	35.3	Very low	214.25 Å²	214.25	128.4 Å²	128.4	84%	0.84	71%	0.707	S	S	*	*			trans	-73.8	157.1	170.8	-65	-90.1	0	0	0	113.2
2358	P	36.1	Very low	35.3	Very low	109.25 Å²	109.25	126.5 Å²	126.5	71%	0.709	70%	0.704	S	S	*	*				-121.8	171	117.5	34.2	-21.7	0	0	0	113.9
2359	I	34.7	Very low	35.3	Very low	139.75 Å²	139.75	128.2 Å²	128.2	72%	0.717	70%	0.702	S	S	*	*			trans	-120.5	142.3	166.9	-85.2	170.5	0	0	0	111.6
2360	E	33.5	Very low	35.3	Very low	170.75 Å²	170.75	126 Å²	126	80%	0.798	69%	0.691	S	S	*	*			trans	149.4	97.8	148.9	-117.4	146.3	-161.1	0	0	117.8	R1774 D1775	R1774-E2360 CarbonylContact C-O 3.25Å; R1774-E2360 CarbonylContact O-C 3.29Å; R1774-E2360 VanDerWaalsContact O-C 3.29Å; D1775-E2360 PolarHBondContact N-O 3.41Å; D1775-E2360 VanDerWaalsContact N-O 3.14Å
2361	S	36.1	Very low	35.5	Very low	77.75 Å²	77.75	128.1 Å²	128.1	54%	0.544	69%	0.692	S	S	.	*			trans	59.7	178.5	136.2	-33.6	0	0	0	0	121.4	R1774	R1774-S2361 CarbonylContact O-C 3.42Å; R1774-S2361 WeakPolarHBondContact O-CA 3.46Å; R1774-S2361 PolarHBondContact O-N 2.74Å
2362	P	44.2	Very low	35.7	Very low	92.5 Å²	92.5	127.6 Å²	127.6	60%	0.601	68%	0.684	S	S	*	*				-128.7	176.8	-116.5	35.6	-20.3	0	0	0	118.4	K1690	K1690-P2362 HydrophobicContact CD-CG 4.5Å; K1690-P2362 WeakPolarHBondContact CE-O 3.24Å; K1690-P2362 PolarHBondContact NZ-O 3.22Å
2363	T	36.8	Very low	36.1	Very low	93.25 Å²	93.25	129.1 Å²	129.1	57%	0.572	68%	0.683	S	S	*	*			trans	156.1	144.4	163.7	-51.1	0	0	0	0	117.2	Q1689 R3020	Q1689-T2363 WeakPolarHBondContact CG-O 3.17Å; Q1689-T2363 PolarHBondContact NE2-O 3.32Å; T2363-R3020 VanDerWaalsContact CG2-NH2 3.35Å
2364	A	34.9	Very low	36.4	Very low	55.75 Å²	55.75	133 Å²	133	46%	0.461	69%	0.689	S	S	.	*			trans	-97.5	159.4	-173.6	0	0	0	0	0	117	S1691 P1692 R3020	S1691-A2364 VanDerWaalsContact C-CB 3.44Å; S1691-A2364 WeakPolarHBondContact O-CB 3.33Å; P1692-A2364 HydrophobicContact CB-CB 3.73Å; P1692-A2364 HydrophobicContact CG-CB 4.1Å; A2364-R3020 PolarHBondContact O-NH2 3.42Å
2365	Y	34.8	Very low	36.6	Very low	197.25 Å²	197.25	133.7 Å²	133.7	77%	0.774	69%	0.688	S	S	*	*				172.5	128.4	122.9	-90	-76	0	0	0	116.4	Q1689 K1690 S1691 P1692 R3020	Q1689-Y2365 PolarHBondContact O-N 2.84Å; Q1689-Y2365 VanDerWaalsContact O-N 3.16Å; K1690-Y2365 CarbonylContact O-C 3.29Å; K1690-Y2365 WeakPolarHBondContact O-CA 3.48Å; S1691-Y2365 WeakPolarHBondContact O-CA 3.35Å; P1692-Y2365 HydrophobicContact CG-CE1 4.12Å; Y2365-R3020 VanDerWaalsContact CE1-NH2 3.35Å; Y2365-R3020 PolarHBondContact OH-NH1 2.83Å; Y2365-R3020 PolarHBondContact OH-NH2 3.16Å
2366	T	36.6	Very low	37	Very low	109.5 Å²	109.5	131.9 Å²	131.9	67%	0.672	68%	0.678	S	S	*	*				89.8	133.6	113.9	-56.7	0	0	0	0	119.6	K1690 S1691	K1690-T2366 PolarHBondContact O-N 3.48Å; S1691-T2366 PolarHBondContact O-N 3.14Å; S1691-T2366 PolarHBondContact O-OG1 3.26Å
2367	R	36.7	Very low	37.3	Very low	181.75 Å²	181.75	134.3 Å²	134.3	69%	0.686	68%	0.678	S	S	*	*			trans	-159	141.7	165.8	-168	-159	160.3	-155	1.5	117.3	Q2369 N2370 N2673	R2367-Q2369 VanDerWaalsContact NH2-CD 3.3Å; R2367-Q2369 VanDerWaalsContact NH2-OE1 3.11Å; R2367-N2370 PolarHBondContact NH2-OD1 3.03Å; R2367-N2673 HydrophobicContact CB-CB 4.43Å; R2367-N2673 PolarHBondContact NH1-ND2 2.86Å
2368	P	37.8	Very low	37.6	Very low	105.75 Å²	105.75	128.8 Å²	128.8	69%	0.687	67%	0.671	S	S	*	*			trans	-127	146.4	158.3	29.4	-12.6	0	0	0	114.7
2369	Q	37.2	Very low	37.5	Very low	150.25 Å²	150.25	131.4 Å²	131.4	70%	0.702	67%	0.674	S	S	*	*				75.2	125.5	110	-56.7	-90.4	29	0	0	119.5	R2367	R2367-Q2369 VanDerWaalsContact NH2-CD 3.3Å; R2367-Q2369 VanDerWaalsContact NH2-OE1 3.11Å
2370	N	34.3	Very low	37.6	Very low	110.25 Å²	110.25	132.4 Å²	132.4	59%	0.59	68%	0.676	S	S	*	*			trans	114.9	148.6	131.2	-144.3	12.5	0	0	0	116.5	R2367 V2711 Y2712 S2713	R2367-N2370 PolarHBondContact NH2-OD1 3.03Å; N2370-V2711 HydrophobicContact CB-CG2 4.24Å; N2370-V2711 WeakPolarHBondContact ND2-CG2 3.41Å; N2370-Y2712 HydrophobicContact CB-CD1 4.43Å; N2370-Y2712 PolarHBondContact ND2-O 3.4Å; N2370-Y2712 WeakPolarHBondContact O-CE1 3.19Å; N2370-Y2712 PolarHBondContact O-OH 3.3Å; N2370-Y2712 VanDerWaalsContact O-OH 3.11Å; N2370-S2713 PolarHBondContact ND2-OG 2.89Å
2371	R	38	Very low	37.8	Very low	217.75 Å²	217.75	130.5 Å²	130.5	82%	0.822	67%	0.666	S	S	*	*			trans	167.3	143	154.7	-85	-179.5	-156.4	-158.8	-0.9	120.3	Y2712	R2371-Y2712 VanDerWaalsContact C-CB 3.44Å; R2371-Y2712 VanDerWaalsContact C-CD1 3.41Å; R2371-Y2712 WeakPolarHBondContact CA-OH 3.46Å; R2371-Y2712 HydrophobicContact CB-CD1 2.84Å; R2371-Y2712 HydrophobicContact CB-CD2 3.94Å; R2371-Y2712 HydrophobicContact CB-CE1 2.57Å; R2371-Y2712 HydrophobicContact CB-CE2 3.75Å; R2371-Y2712 HydrophobicContact CB-CG 3.53Å; R2371-Y2712 HydrophobicContact CG-CD1 2.9Å; R2371-Y2712 HydrophobicContact CG-CE1 3.11Å; R2371-Y2712 HydrophobicContact CG-CG 3.94Å; R2371-Y2712 PolarHBondContact N-OH 2.79Å; R2371-Y2712 WeakPolarHBondContact O-CD2 3.2Å; R2371-Y2712 WeakPolarHBondContact O-CE2 3.22Å
2372	T	39.3	Very low	37.8	Very low	100.75 Å²	100.75	134.2 Å²	134.2	62%	0.618	68%	0.677	S	S	*	*			trans	-117.3	-178.5	-178.2	17.3	0	0	0	0	112.3	P1677 A1678 Y2712	P1677-T2372 WeakPolarHBondContact O-CG2 3.05Å; P1677-T2372 PolarHBondContact O-OG1 2.93Å; A1678-T2372 WeakPolarHBondContact O-CG2 3.41Å; T2372-Y2712 VanDerWaalsContact OG1-CB 3.25Å; T2372-Y2712 WeakPolarHBondContact OG1-CB 3.4Å
2373	P	42.4	Very low	37.3	Very low	94 Å²	94	134.8 Å²	134.8	61%	0.61	68%	0.676	S	S	*	*				-146	178.5	79.9	41.9	-21.1	0	0	0	118.4
2374	H	39.9	Very low	37.2	Very low	179.75 Å²	179.75	135.1 Å²	135.1	83%	0.832	68%	0.677	S	S	*	*			trans	123.1	163	148.1	-72.6	-54.3	0	0	0	117.9
2375	H	39.2	Very low	37	Very low	148.75 Å²	148.75	138.5 Å²	138.5	69%	0.689	69%	0.688	S	S	*	*				161.5	156.5	-56.3	-166.2	49.9	0	0	0	111.6
2376	I	41	Very low	36.8	Very low	124.25 Å²	124.25	133.5 Å²	133.5	64%	0.637	68%	0.682	S	S	*	*			trans	162	153.1	140.4	-97.3	172.8	0	0	0	112.8	K2391	I2376-K2391 PolarHBondContact O-NZ 3.48Å
2377	Q	37.4	Very low	36.8	Very low	147 Å²	147	133.2 Å²	133.2	69%	0.687	68%	0.681	S	S	*	*			trans	28.6	162.3	172.8	-79	162.6	-28.8	0	0	117.1	K2391	Q2377-K2391 WeakPolarHBondContact O-CD 3.42Å; Q2377-K2391 PolarHBondContact O-NZ 3.36Å
2378	S	38.1	Very low	36.5	Very low	98.75 Å²	98.75	132.3 Å²	132.3	69%	0.691	69%	0.685	S	S	*	*			cis	172.4	140.2	26.2	-41.6	0	0	0	0	114.6
2379	E	35.7	Very low	36	Very low	164.75 Å²	164.75	134.7 Å²	134.7	77%	0.77	69%	0.687	S	S	*	*				124.6	155.2	127.8	-103.6	-179.2	112.6	0	0	115.4	Q2381	E2379-Q2381 PolarHBondContact OE1-NE2 3.46Å
2380	Q	36.4	Very low	35.5	Very low	160.75 Å²	160.75	132 Å²	132	75%	0.751	68%	0.681	S	S	*	*			trans	-169.7	140	155.4	-98.8	-179.9	31.3	0	0	113.6
2381	Q	36.6	Very low	35.3	Very low	129 Å²	129	134.3 Å²	134.3	60%	0.603	69%	0.686	S	S	*	*				-166.6	143.3	88.2	-93.8	176.1	25.2	0	0	111.8	E2379 N2383 P2393	E2379-Q2381 PolarHBondContact OE1-NE2 3.46Å; Q2381-N2383 WeakPolarHBondContact CG-OD1 3.46Å; Q2381-P2393 PolarHBondContact NE2-O 3.16Å
2382	M	35.7	Very low	34.9	Very low	156.5 Å²	156.5	130.3 Å²	130.3	77%	0.771	68%	0.677	S	S	*	*				175.9	131.5	87.8	-75	-105.3	-80	0	0	111
2383	N	33.8	Very low	34.8	Very low	105.75 Å²	105.75	129 Å²	129	57%	0.566	67%	0.67	S	S	*	*			trans	-150.9	157.7	179.2	-105.5	7.2	0	0	0	116.2	Q2381 T2664 P2665	Q2381-N2383 WeakPolarHBondContact CG-OD1 3.46Å; N2383-T2664 WeakPolarHBondContact O-CB 3.43Å; N2383-T2664 WeakPolarHBondContact O-CG2 3.48Å; N2383-P2665 HydrophobicContact CB-CB 3.76Å
2384	T	36.2	Very low	34.3	Very low	99.5 Å²	99.5	131.9 Å²	131.9	61%	0.61	68%	0.675	S	S	*	*			trans	50.6	106.9	144.3	45.9	0	0	0	0	117.3	T2390	T2384-T2390 PolarHBondContact O-OG1 2.91Å
2385	N	30.7	Very low	34	Very low	126.75 Å²	126.75	134 Å²	134	68%	0.678	68%	0.675	S	S	*	*				156.2	123.5	115.6	-65.5	-52.3	0	0	0	110.9	T2390 A2663	N2385-T2390 WeakPolarHBondContact OD1-CB 3.45Å; N2385-T2390 PolarHBondContact OD1-OG1 3.04Å; N2385-A2663 PolarHBondContact ND2-O 2.92Å
2386	S	30.4	Very low	33.5	Very low	92 Å²	92	131 Å²	131	64%	0.643	67%	0.671	S	S	*	*				57.4	152.4	78.2	-96.2	0	0	0	0	114.8	E1606	E1606-S2386 WeakPolarHBondContact OE1-CA 3.34Å; E1606-S2386 WeakPolarHBondContact OE1-CB 3.45Å; E1606-S2386 PolarHBondContact OE1-OG 3.45Å; E1606-S2386 VanDerWaalsContact OE2-CB 3.25Å; E1606-S2386 WeakPolarHBondContact OE2-CB 3.35Å; E1606-S2386 PolarHBondContact OE2-OG 3.08Å
2387	P	37	Very low	33.1	Very low	102.75 Å²	102.75	132.6 Å²	132.6	67%	0.667	68%	0.68	S	S	*	*			trans	-91.9	171.3	166.6	30	-25.7	0	0	0	112.7	E1606	E1606-P2387 WeakPolarHBondContact OE1-CD 3.45Å
2388	Q	28.8	Very low	32.8	Very low	163.25 Å²	163.25	131 Å²	131	76%	0.763	68%	0.681	S	S	*	*			trans	106.6	150.9	161.8	-70.9	-179.1	19.9	0	0	115.7	T2390	Q2388-T2390 PolarHBondContact O-N 2.95Å
2389	Q	27.7	Very low	32.7	Very low	155.25 Å²	155.25	130.8 Å²	130.8	73%	0.725	68%	0.677	S	S	*	*			trans	80.2	129	154.2	-79.6	177.9	67.2	0	0	112.5
2390	T	27.8	Very low	32.4	Very low	95.5 Å²	95.5	129.8 Å²	129.8	59%	0.586	67%	0.672	S	S	*	*				-169.6	127.8	81.9	-42.3	0	0	0	0	109.8	T2384 N2385 Q2388	T2384-T2390 PolarHBondContact O-OG1 2.91Å; N2385-T2390 WeakPolarHBondContact OD1-CB 3.45Å; N2385-T2390 PolarHBondContact OD1-OG1 3.04Å; Q2388-T2390 PolarHBondContact O-N 2.95Å
2391	K	28.8	Very low	32.3	Very low	156.75 Å²	156.75	128.2 Å²	128.2	68%	0.682	67%	0.667	S	S	*	*				6.3	141.8	107	-97.2	159.7	-173.2	169.7	0	114.7	I2376 Q2377	I2376-K2391 PolarHBondContact O-NZ 3.48Å; Q2377-K2391 WeakPolarHBondContact O-CD 3.42Å; Q2377-K2391 PolarHBondContact O-NZ 3.36Å
2392	E	30.9	Very low	32.4	Very low	134.5 Å²	134.5	126.1 Å²	126.1	63%	0.629	67%	0.665	S	S	*	*				66.3	171.4	98.1	-92	-142.9	115.1	0	0	117.6
2393	P	36.4	Very low	32.1	Very low	73.25 Å²	73.25	123.2 Å²	123.2	48%	0.476	65%	0.653	S	S	.	*			cis	-135.3	179.8	-29.5	32.4	-11.2	0	0	0	115	Q2381	Q2381-P2393 PolarHBondContact NE2-O 3.16Å
2394	H	32.1	Very low	31.9	Very low	154.5 Å²	154.5	124.4 Å²	124.4	72%	0.715	66%	0.66	S	S	*	*				89.5	139.8	127.1	-66.8	-46.6	0	0	0	120.5
2395	R	33.5	Very low	31.6	Very low	224.25 Å²	224.25	124.2 Å²	124.2	85%	0.846	66%	0.662	S	S	*	*			trans	68.3	126.2	143.4	-69.3	-174.9	175.9	-144.1	0	119.8
2396	S	28.7	Very low	31.5	Very low	86 Å²	86	127.5 Å²	127.5	60%	0.601	67%	0.666	S	S	*	*				100.2	123.9	80.2	67.6	0	0	0	0	117.3
2397	L	32.1	Very low	31.6	Very low	157.5 Å²	157.5	127.9 Å²	127.9	83%	0.825	66%	0.664	S	S	*	*			trans	93.2	123.8	141.9	-69.3	163.1	0	0	0	117.7
2398	T	31.6	Very low	31.3	Very low	114.5 Å²	114.5	128.9 Å²	128.9	70%	0.702	66%	0.66	S	S	*	*			trans	1.5	152.9	133.1	29.6	0	0	0	0	117.5	S2069	S2069-T2398 WeakPolarHBondContact OG-CA 3.48Å; S2069-T2398 WeakPolarHBondContact OG-CG2 3.47Å
2399	P	36.8	Very low	31.3	Very low	93.5 Å²	93.5	126.8 Å²	126.8	61%	0.607	65%	0.654	S	S	*	*			cis	-149.7	-162.1	18.3	41	-18.2	0	0	0	117.4	M2068	M2068-P2399 HydrophobicContact CE-CB 3.54Å; M2068-P2399 HydrophobicContact CE-CG 4.47Å; M2068-P2399 HydrophobicContact CG-CB 3.95Å; M2068-P2399 HydrophobicContact SD-CB 3.47Å; M2068-P2399 WeakPolarHBondContact SD-CB 3.35Å
2400	E	29	Very low	31.6	Very low	144.25 Å²	144.25	128.6 Å²	128.6	67%	0.674	65%	0.654	S	S	*	*			trans	71.5	145.4	151.7	-65.3	-58.9	113.8	0	0	122.7	L2066 L2067 M2068 N2478	L2066-E2400 CarbonylContact C-O 3.1Å; L2066-E2400 VanDerWaalsContact CA-O 3.26Å; L2066-E2400 WeakPolarHBondContact CA-O 3.4Å; L2066-E2400 WeakPolarHBondContact CB-O 3.43Å; L2067-E2400 CarbonylContact C-O 3.56Å; L2067-E2400 WeakPolarHBondContact CA-O 3.26Å; L2067-E2400 VanDerWaalsContact CB-O 3.26Å; L2067-E2400 WeakPolarHBondContact CB-O 3.09Å; L2067-E2400 PolarHBondContact N-O 2.87Å; L2067-E2400 VanDerWaalsContact N-O 3.15Å; M2068-E2400 VanDerWaalsContact CA-N 3.31Å; M2068-E2400 WeakPolarHBondContact CE-OE1 3.15Å; M2068-E2400 HydrophobicContact CG-CG 4.17Å; M2068-E2400 WeakPolarHBondContact CG-OE1 3.36Å; M2068-E2400 PolarHBondContact N-O 2.88Å; M2068-E2400 VanDerWaalsContact N-O 3.12Å; E2400-N2478 PolarHBondContact OE2-ND2 2.85Å
2401	I	34.6	Very low	31.8	Very low	126.333 Å²	126.333	130.5 Å²	130.5	65%	0.648	66%	0.66	S	S	*	*			trans	-138.8	148.9	-164.2	-94	166.6	0	0	0	109.1	L2066 N2403	L2066-I2401 WeakPolarHBondContact O-CA 3.12Å; L2066-I2401 VanDerWaalsContact O-CG1 3.28Å; L2066-I2401 WeakPolarHBondContact O-CG1 3.44Å; I2401-N2403 HydrophobicContact CG2-CB 4.22Å
2402	P	37.1	Very low	31.9	Very low	85.6667 Å²	85.6667	130.3 Å²	130.3	56%	0.556	67%	0.665	S	S	*	*				-130.4	-154.1	60	20	4	0	0	0	113.9	Q2065 V2477 N2478	Q2065-P2402 CarbonylContact C-O 2.83Å; Q2065-P2402 WeakPolarHBondContact CA-O 3.26Å; Q2065-P2402 PolarHBondContact N-O 3.18Å; P2402-V2477 CarbonylContact O-C 3.47Å; P2402-N2478 WeakPolarHBondContact O-CA 3.4Å; P2402-N2478 PolarHBondContact O-N 3.39Å
2403	N	30	Very low	31.8	Very low	96 Å²	96	128.8 Å²	128.8	51%	0.513	67%	0.669	S	S	.	*			cis	117	141.2	43.3	-131.8	6.3	0	0	0	115.5	A2064 I2401	A2064-N2403 PolarHBondContact N-O 3.49Å; I2401-N2403 HydrophobicContact CG2-CB 4.22Å
2404	N	30.9	Very low	31.6	Very low	131.333 Å²	131.333	129.4 Å²	129.4	70%	0.702	68%	0.675	S	S	*	*			trans	-32.5	143.1	150.2	-84	-42.5	0	0	0	114.8
2405	S	29.6	Very low	31.5	Very low	93.3333 Å²	93.3333	129 Å²	129	65%	0.653	67%	0.674	S	S	*	*				141.1	142.3	60.6	-168.3	0	0	0	0	110.9
2406	Y	28	Very low	31.4	Very low	197.333 Å²	197.333	125.4 Å²	125.4	77%	0.774	67%	0.668	S	S	*	*			trans	63.2	139.1	140.2	-107.7	-113.3	0	0	0	115.1
2407	V	32.2	Very low	31.4	Very low	100.333 Å²	100.333	127.3 Å²	127.3	61%	0.608	68%	0.676	S	S	*	*			cis	-156	143.1	17.7	152.1	0	0	0	0	113.9	D2409	V2407-D2409 VanDerWaalsContact CG1-OD2 3.27Å; V2407-D2409 WeakPolarHBondContact CG1-OD2 3.46Å
2408	Q	30.2	Very low	31.3	Very low	124 Å²	124	124.9 Å²	124.9	58%	0.579	67%	0.673	S	S	*	*			trans	-164.7	148.7	136.8	-115.9	122.8	19.7	0	0	114.6
2409	D	29.6	Very low	31.2	Very low	118 Å²	118	124 Å²	124	63%	0.631	67%	0.671	S	S	*	*			trans	59.9	135.1	136.6	-65.8	-34.5	0	0	0	116	V2407	V2407-D2409 VanDerWaalsContact CG1-OD2 3.27Å; V2407-D2409 WeakPolarHBondContact CG1-OD2 3.46Å
2410	R	33.1	Very low	30.9	Very low	193 Å²	193	124.3 Å²	124.3	73%	0.728	68%	0.675	S	S	*	*				-169.4	134.5	51.3	-124.2	168.6	-96.1	-138.3	-0.4	110.5
2411	I	32.1	Very low	31	Very low	137 Å²	137	121.2 Å²	121.2	70%	0.703	67%	0.669	S	S	*	*				49.6	130.9	115.1	-63.7	177.1	0	0	0	114.8
2412	L	32.4	Very low	30.7	Very low	151.667 Å²	151.667	122.4 Å²	122.4	79%	0.794	68%	0.677	S	S	*	*			trans	155.7	120.6	136	-81.2	161.1	0	0	0	109.6
2413	S	28.5	Very low	30.5	Very low	103.333 Å²	103.333	122.9 Å²	122.9	72%	0.723	68%	0.683	S	S	*	*				42.9	134.5	84.1	-87.5	0	0	0	0	114.2
2414	S	31.7	Very low	30.6	Very low	86 Å²	86	123.4 Å²	123.4	60%	0.601	69%	0.694	S	S	*	*				151.2	151.3	75.7	63.6	0	0	0	0	112.5
2415	H	29.3	Very low	30.7	Very low	146 Å²	146	122.9 Å²	122.9	68%	0.676	70%	0.695	S	S	*	*				93.4	150.9	104	71.6	-15	0	0	0	119
2416	M	32.1	Very low	30.9	Very low	149 Å²	149	125.3 Å²	125.3	73%	0.734	70%	0.701	S	S	*	*			trans	79.7	115.5	150.9	-54.8	-42.9	166.7	0	0	121.3
2417	T	29.4	Very low	31.2	Very low	125 Å²	125	120.9 Å²	120.9	77%	0.767	70%	0.699	S	S	*	*			trans	33.2	116.7	138.1	50.6	0	0	0	0	118.1
2418	S	29.5	Very low	31.3	Very low	108.333 Å²	108.333	122.3 Å²	122.3	76%	0.758	71%	0.707	S	S	*	*			trans	78.8	116.4	143.8	54.6	0	0	0	0	114.4
2419	S	29.5	Very low	31.5	Very low	94 Å²	94	123.5 Å²	123.5	66%	0.657	72%	0.717	S	S	*	*			trans	-97.3	144.7	173	-32	0	0	0	0	112.7
2420	S	29.6	Very low	31.7	Very low	99.3333 Å²	99.3333	121.3 Å²	121.3	70%	0.695	72%	0.716	S	S	*	*			trans	-112.3	138.9	167.5	23.6	0	0	0	0	114.6
2421	S	31.2	Very low	31.8	Very low	79.3333 Å²	79.3333	120.1 Å²	120.1	56%	0.555	72%	0.718	S	S	*	*			trans	-175.5	98.4	160.6	63	0	0	0	0	116.4
2422	N	28.3	Very low	31.9	Very low	151.667 Å²	151.667	120.4 Å²	120.4	81%	0.811	72%	0.717	S	S	*	*			trans	-61.8	114.3	162.8	-94.8	18.3	0	0	0	115.5
2423	S	32.9	Very low	32	Very low	96.3333 Å²	96.3333	121.8 Å²	121.8	67%	0.674	72%	0.719	S	S	*	*			trans	-148.2	144.1	145.6	36.3	0	0	0	0	114.9
2424	S	32.5	Very low	32.2	Very low	107.333 Å²	107.333	120.9 Å²	120.9	75%	0.751	72%	0.718	S	S	*	*				75.8	126.2	122.3	-130.9	0	0	0	0	116.2
2425	V	33.9	Very low	32.3	Very low	119.667 Å²	119.667	124 Å²	124	73%	0.725	73%	0.726	S	S	*	*			cis	-147.4	150.3	26.6	-95	0	0	0	0	108.8
2426	D	31.8	Very low	32.4	Very low	145.667 Å²	145.667	124.3 Å²	124.3	78%	0.779	73%	0.733	S	S	*	*				145.2	133.7	123.9	-92.4	-32.9	0	0	0	115.9
2427	S	35.9	Very low	32.6	Very low	104 Å²	104	126.8 Å²	126.8	73%	0.727	74%	0.739	S	S	*	*			trans	138.9	115.9	135.1	-77.3	0	0	0	0	115.3
2428	V	34.5	Very low	32.7	Very low	128.667 Å²	128.667	124 Å²	124	78%	0.78	74%	0.736	S	S	*	*			trans	44.3	126.9	140.5	-60.7	0	0	0	0	119.7
2429	N	33.1	Very low	33	Very low	149.333 Å²	149.333	127.1 Å²	127.1	80%	0.799	74%	0.743	S	S	*	*				163.7	146.4	89.4	-116.2	-20.8	0	0	0	116.5
2430	A	35.1	Very low	33.1	Very low	72.6667 Å²	72.6667	128.7 Å²	128.7	60%	0.601	75%	0.749	S	S	*	*			trans	56.5	134.1	137.4	0	0	0	0	0	122.2	H2432	A2430-H2432 VanDerWaalsContact C-CE1 3.42Å; A2430-H2432 PolarHBondContact O-CE1 3.32Å; A2430-H2432 VanDerWaalsContact O-CE1 3.3Å
2431	H	34.1	Very low	33.3	Very low	167.333 Å²	167.333	133.3 Å²	133.3	78%	0.775	76%	0.757	S	S	*	*			trans	74.7	145.3	149.7	-75.4	-26.8	0	0	0	121.3
2432	H	34.6	Very low	33.6	Very low	144.667 Å²	144.667	135.4 Å²	135.4	67%	0.67	77%	0.768	S	S	*	*			trans	76.5	142.2	147.4	-55.6	-48.3	0	0	0	120.4	A2430	A2430-H2432 VanDerWaalsContact C-CE1 3.42Å; A2430-H2432 PolarHBondContact O-CE1 3.32Å; A2430-H2432 VanDerWaalsContact O-CE1 3.3Å
2433	Q	33.9	Very low	33.5	Very low	180 Å²	180	135.9 Å²	135.9	84%	0.841	77%	0.771	S	S	*	*			trans	73.5	127	154.7	-62.6	-179.6	54.7	0	0	117.4
2434	A	32.7	Very low	33.6	Very low	84.6667 Å²	84.6667	135.5 Å²	135.5	70%	0.7	77%	0.774	S	S	*	*			cis	158.8	165.2	-10.6	0	0	0	0	0	111.3
2435	I	35	Very low	33.5	Very low	150 Å²	150	138.8 Å²	138.8	77%	0.769	78%	0.777	S	S	*	*			trans	102.2	104.1	130.7	-56.1	158.6	0	0	0	114.1	K2437	I2435-K2437 PolarHBondContact O-N 2.87Å
2436	N	31.5	Very low	33.4	Very low	154.333 Å²	154.333	140 Å²	140	83%	0.825	78%	0.779	S	S	*	*				57.4	137.2	119.9	-115.6	-17.3	0	0	0	117
2437	K	36.3	Very low	33.2	Very low	200 Å²	200	138.8 Å²	138.8	87%	0.87	77%	0.772	S	S	*	*			trans	111.1	114.7	172.9	-59.2	175.6	-177	179.9	0	112	I2435	I2435-K2437 PolarHBondContact O-N 2.87Å
2438	G	31.9	Very low	33	Very low	67.3333 Å²	67.3333	139.1 Å²	139.1	69%	0.694	77%	0.77	S	S	*	*			cis	148	121.5	20.8	0	0	0	0	0	111.3
2439	L	34.7	Very low	32.9	Very low	173 Å²	173	138.3 Å²	138.3	91%	0.906	77%	0.77	S	S	*	*			trans	100.3	124.5	131.5	-54.8	166.8	0	0	0	114.9
2440	T	32.5	Very low	32.9	Very low	128.333 Å²	128.333	134.1 Å²	134.1	79%	0.787	76%	0.762	S	S	*	*				173.7	127.6	67.6	-31.7	0	0	0	0	110.4
2441	F	33.6	Very low	32.7	Very low	195.667 Å²	195.667	137.9 Å²	137.9	86%	0.858	77%	0.772	S	S	*	*			trans	-73.3	167.1	164.8	-70.2	-89.6	0	0	0	110.2
2442	P	37.5	Very low	32.7	Very low	122.667 Å²	122.667	137.4 Å²	137.4	80%	0.797	77%	0.774	S	S	*	*				-146.9	173.5	68.2	39.9	-20.3	0	0	0	115.2
2443	N	26.3	Very low	32.6	Very low	162 Å²	162	137.7 Å²	137.7	87%	0.866	78%	0.779	S	S	*	*			trans	-80.4	141.7	158	-105.3	-39.7	0	0	0	109.9
2444	A	34.4	Very low	32.9	Very low	88.3333 Å²	88.3333	133.9 Å²	133.9	73%	0.73	77%	0.77	S	S	*	*			trans	-163.4	123.2	166.8	0	0	0	0	0	110
2445	E	29.9	Very low	33.1	Very low	176 Å²	176	138.1 Å²	138.1	82%	0.822	78%	0.776	S	S	*	*				-145.1	154.4	91.2	-89.6	-172.2	136.4	0	0	110.8
2446	L	31.2	Very low	33.1	Very low	144.667 Å²	144.667	138.7 Å²	138.7	76%	0.757	78%	0.775	S	S	*	*			trans	93.5	113.2	148	-75	163.2	0	0	0	117.1
2447	N	29.5	Very low	33.3	Very low	120.333 Å²	120.333	138.6 Å²	138.6	64%	0.643	77%	0.77	S	S	*	*				70.4	126.2	125.4	-100	-20.7	0	0	0	120.7	P2468	N2447-P2468 PolarHBondContact ND2-O 3.41Å
2448	T	31.8	Very low	33.4	Very low	110.333 Å²	110.333	135.6 Å²	135.6	68%	0.677	76%	0.759	S	S	*	*			trans	115.3	124.9	130.6	-75.7	0	0	0	0	117.8	P2468	T2448-P2468 VanDerWaalsContact CB-CG 3.48Å; T2448-P2468 HydrophobicContact CG2-CG 3.48Å; T2448-P2468 VanDerWaalsContact CG2-CG 3.48Å; T2448-P2468 WeakPolarHBondContact OG1-CD 3.47Å; T2448-P2468 WeakPolarHBondContact OG1-CG 3.38Å
2449	S	30.7	Very low	33.7	Very low	111.667 Å²	111.667	139.1 Å²	139.1	78%	0.781	76%	0.757	S	S	*	*			trans	46.7	152.7	130.3	67.2	0	0	0	0	118.7
2450	G	33.7	Very low	33.7	Very low	62 Å²	62	138.1 Å²	138.1	64%	0.639	75%	0.749	S	S	*	*			trans	115.7	108	158.5	0	0	0	0	0	112.8
2451	N	31.4	Very low	33.9	Very low	152 Å²	152	139.2 Å²	139.2	81%	0.813	75%	0.749	S	S	*	*				64.5	136.1	84.2	-83	-13.3	0	0	0	113.8
2452	I	33.5	Very low	34	Very low	158 Å²	158	133.1 Å²	133.1	81%	0.81	74%	0.741	S	S	*	*				-164.4	118.8	55.9	-69.9	171.8	0	0	0	111.8
2453	L	33	Very low	33.8	Very low	149.333 Å²	149.333	134.4 Å²	134.4	78%	0.782	74%	0.74	S	S	*	*				31	138.4	123.7	-152.8	61	0	0	0	113.9
2454	P	39.6	Very low	34.2	Very low	100.333 Å²	100.333	133.1 Å²	133.1	65%	0.652	74%	0.738	S	S	*	*			trans	-108.8	-175.8	-147.2	39	-29.5	0	0	0	115.9	Q2456	P2454-Q2456 VanDerWaalsContact C-N 3.32Å; P2454-Q2456 PolarHBondContact O-N 3.38Å
2455	Q	36.2	Very low	34.2	Very low	174 Å²	174	135.4 Å²	135.4	81%	0.813	74%	0.744	S	S	*	*			trans	-82.7	130.6	140.5	-95	-177.4	-0.9	0	0	113.6	H2457	Q2455-H2457 PolarHBondContact O-N 3.11Å; Q2455-H2457 PolarHBondContact O-ND1 2.84Å
2456	Q	35.4	Very low	34.8	Very low	161.333 Å²	161.333	132.1 Å²	132.1	75%	0.754	74%	0.737	S	S	*	*			trans	26.2	159.7	168.9	-61.1	-173.5	-3.4	0	0	114.4	P2454 Q2458	P2454-Q2456 VanDerWaalsContact C-N 3.32Å; P2454-Q2456 PolarHBondContact O-N 3.38Å; Q2456-Q2458 PolarHBondContact O-N 3.41Å
2457	H	37	Very low	34.9	Very low	153.667 Å²	153.667	130.7 Å²	130.7	71%	0.711	74%	0.74	S	S	*	*				179.9	127.7	119.7	-103.9	73.2	0	0	0	113	Q2455	Q2455-H2457 PolarHBondContact O-N 3.11Å; Q2455-H2457 PolarHBondContact O-ND1 2.84Å
2458	Q	38.2	Very low	35.4	Very low	137 Å²	137	130.4 Å²	130.4	64%	0.64	74%	0.744	S	S	*	*			trans	49.8	117.8	141.3	-134.6	177.3	46.5	0	0	119.9	Q2456	Q2456-Q2458 PolarHBondContact O-N 3.41Å
2459	Q	38	Very low	35.6	Very low	141 Å²	141	128.4 Å²	128.4	66%	0.659	75%	0.745	S	S	*	*				107.2	139.5	117.9	-85.3	173.4	40.6	0	0	116.1
2460	M	35	Very low	35.8	Very low	150.667 Å²	150.667	128.1 Å²	128.1	74%	0.742	74%	0.744	S	S	*	*				115.4	141.6	103.8	-136.2	173.9	-96.9	0	0	117.1
2461	I	35.9	Very low	35.8	Very low	152 Å²	152	130 Å²	130	78%	0.779	75%	0.746	S	S	*	*			trans	8.6	150.3	175.6	-86.1	160.8	0	0	0	113.7	I2463	I2461-I2463 HydrophobicContact CG1-CD1 4.25Å; I2461-I2463 HydrophobicContact CG1-CG1 4.21Å; I2461-I2463 HydrophobicContact CG2-CD1 4.37Å; I2461-I2463 HydrophobicContact CG2-CG1 4Å
2462	G	36.7	Very low	35.9	Very low	68 Å²	68	132.3 Å²	132.3	70%	0.701	75%	0.745	S	S	*	*			trans	-179.8	-13.2	166.7	0	0	0	0	0	118.4
2463	I	31.8	Very low	35.9	Very low	149 Å²	149	132.6 Å²	132.6	76%	0.764	75%	0.745	S	S	*	*			trans	20.2	140.8	172.5	-13.6	177.6	0	0	0	119.2	I2461	I2461-I2463 HydrophobicContact CG1-CD1 4.25Å; I2461-I2463 HydrophobicContact CG1-CG1 4.21Å; I2461-I2463 HydrophobicContact CG2-CD1 4.37Å; I2461-I2463 HydrophobicContact CG2-CG1 4Å
2464	T	35.8	Very low	36.3	Very low	136 Å²	136	131.9 Å²	131.9	83%	0.834	75%	0.747	S	S	*	*			trans	113.8	120.2	152.7	60.7	0	0	0	0	116.9
2465	T	34.4	Very low	35.9	Very low	137 Å²	137	132.1 Å²	132.1	84%	0.84	75%	0.751	S	S	*	*			trans	-127.5	-171.6	-175.9	49	0	0	0	0	111.9
2466	P	42.8	Very low	36.1	Very low	106 Å²	106	129.4 Å²	129.4	69%	0.688	75%	0.748	S	S	*	*				-133.4	172.8	-65.9	36.6	-16.3	0	0	0	115.4
2467	S	32.8	Very low	36.2	Very low	116 Å²	116	127.3 Å²	127.3	81%	0.811	75%	0.746	S	S	*	*			trans	149.4	107.8	153.2	-77.2	0	0	0	0	115.9
2468	P	39.6	Very low	36	Very low	113.667 Å²	113.667	125.7 Å²	125.7	74%	0.738	74%	0.743	S	S	*	*			trans	-103.9	173.3	155.2	40.5	-34.9	0	0	0	112.5	N2447 T2448	N2447-P2468 PolarHBondContact ND2-O 3.41Å; T2448-P2468 VanDerWaalsContact CB-CG 3.48Å; T2448-P2468 HydrophobicContact CG2-CG 3.48Å; T2448-P2468 VanDerWaalsContact CG2-CG 3.48Å; T2448-P2468 WeakPolarHBondContact OG1-CD 3.47Å; T2448-P2468 WeakPolarHBondContact OG1-CG 3.38Å
2469	G	36.9	Very low	35.9	Very low	67.6667 Å²	67.6667	124.6 Å²	124.6	70%	0.698	75%	0.75	S	S	*	*			trans	-153.2	141.4	157.3	0	0	0	0	0	111.9
2470	S	33.6	Very low	35.7	Very low	106.333 Å²	106.333	129.1 Å²	129.1	74%	0.744	76%	0.761	S	S	*	*				52.7	114.2	126.8	-165.3	0	0	0	0	118.8
2471	S	34.8	Very low	36	Very low	100 Å²	100	127.2 Å²	127.2	70%	0.699	76%	0.76	S	S	*	*			trans	150.9	144.7	134.8	-71.8	0	0	0	0	113.7
2472	Y	33.7	Very low	36.2	Very low	200.667 Å²	200.667	126 Å²	126	79%	0.787	76%	0.762	S	S	*	*			trans	-98.3	142.6	132.1	-64.6	-92.9	0	0	0	115
2473	M	33.3	Very low	36.1	Very low	164.333 Å²	164.333	128.4 Å²	128.4	81%	0.81	77%	0.768	S	S	*	*				83.5	144.4	117.2	-62.5	-66.9	173.7	0	0	118.2
2474	V	39.9	Very low	36.4	Very low	136 Å²	136	132.1 Å²	132.1	82%	0.824	77%	0.773	S	S	*	*			trans	88.9	115	166.3	-161.1	0	0	0	0	117.2
2475	S	33.1	Very low	36.6	Very low	104 Å²	104	134.2 Å²	134.2	73%	0.727	77%	0.772	S	S	*	*			trans	-44.5	157.3	165.8	-44.4	0	0	0	0	117.1
2476	P	39.9	Very low	36.7	Very low	117.667 Å²	117.667	136.3 Å²	136.3	76%	0.764	77%	0.773	S	S	*	*				-134.3	147.4	124.2	37.8	-25.4	0	0	0	114.4
2477	V	37.3	Very low	36.6	Very low	116 Å²	116	137.5 Å²	137.5	70%	0.703	78%	0.778	S	S	*	*			trans	-103.5	145.5	149.9	-134	0	0	0	0	112.9	P2402 S2479	P2402-V2477 CarbonylContact O-C 3.47Å; V2477-S2479 PolarHBondContact O-N 3.35Å
2478	N	33.7	Very low	37	Very low	120.667 Å²	120.667	137.5 Å²	137.5	65%	0.645	78%	0.779	S	S	*	*			trans	1.3	109.6	169.4	-100.4	-20.5	0	0	0	117.5	E2400 P2402	E2400-N2478 PolarHBondContact OE2-ND2 2.85Å; P2402-N2478 WeakPolarHBondContact O-CA 3.4Å; P2402-N2478 PolarHBondContact O-N 3.39Å
2479	S	34.2	Very low	37.5	Very low	114 Å²	114	139.6 Å²	139.6	80%	0.797	78%	0.783	S	S	*	*			trans	-153.9	116.5	149	-84	0	0	0	0	112.5	V2477	V2477-S2479 PolarHBondContact O-N 3.35Å
2480	R	34.2	Very low	38.8	Very low	235.667 Å²	235.667	141.5 Å²	141.5	89%	0.889	78%	0.782	S	S	*	*			trans	6.8	120.1	171.5	-111.6	-178.1	172.1	-151.5	-0.2	117.3
2481	P	41.1	Very low	40.5	Very low	111 Å²	111	141.8 Å²	141.8	72%	0.721	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-75.6	150.8	157.8	14.4	-8.9	0	0	0	111.7	S2483	P2481-S2483 PolarHBondContact O-N 2.84Å
2482	P	40.8	Very low	42.2	Very low	126 Å²	126	142.6 Å²	142.6	82%	0.818	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-75.1	142.8	-171.7	14	-14.2	0	0	0	113.7	R2484	P2482-R2484 PolarHBondContact O-N 3.12Å
2483	S	34.4	Very low	43.9	Very low	118.333 Å²	118.333	138 Å²	138	83%	0.828	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-66.8	126.6	173.9	-82.2	0	0	0	0	111.8	P2481	P2481-S2483 PolarHBondContact O-N 2.84Å
2484	R	37.6	Very low	45.6	Very low	227 Å²	227	135.1 Å²	135.1	86%	0.857	77%	0.773	S	S	*	*			trans	-125.6	132.7	172.1	-130	176.4	-176.4	-169.9	0.7	110.3	P2482 Q2486	P2482-R2484 PolarHBondContact O-N 3.12Å; R2484-Q2486 PolarHBondContact O-N 3.04Å
2485	H	40.2	Very low	46.9	Very low	179.667 Å²	179.667	135.6 Å²	135.6	83%	0.832	77%	0.77	S	S	*	*			trans	-83.7	144.2	155.6	-75.5	-97.7	0	0	0	113.3
2486	Q	36	Very low	47.9	Very low	181 Å²	181	140.6 Å²	140.6	85%	0.846	77%	0.773	S	S	*	*			trans	-71.4	119.8	165.7	-63.2	-169.4	52.2	0	0	113	R2484 S2488	R2484-Q2486 PolarHBondContact O-N 3.04Å; Q2486-S2488 PolarHBondContact O-N 2.92Å
2487	T	41.1	Very low	48.9	Very low	131.333 Å²	131.333	140 Å²	140	81%	0.806	77%	0.768	S	S	*	*			trans	-119	99.1	155.4	36.1	0	0	0	0	108.8	L2489	T2487-L2489 PolarHBondContact O-N 2.95Å; T2487-L2489 VanDerWaalsContact O-N 3.14Å
2488	S	40.8	Very low	49.7	Very low	117 Å²	117	140.4 Å²	140.4	82%	0.818	77%	0.774	S	S	*	*			trans	-67.6	98.5	173.7	55.4	0	0	0	0	109.8	Q2486	Q2486-S2488 PolarHBondContact O-N 2.92Å
2489	L	50.9	Low	50.2	Low	157 Å²	157	140.4 Å²	140.4	82%	0.822	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-68.1	130.9	163.2	-68.4	174.5	0	0	0	108.1	T2487	T2487-L2489 PolarHBondContact O-N 2.95Å; T2487-L2489 VanDerWaalsContact O-N 3.14Å
2490	P	64.8	Low	50.4	Low	107 Å²	107	138 Å²	138	70%	0.695	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-65.2	153	179.7	27.9	-34.3	0	0	0	110.6
2491	P	68.2	Low	50.5	Low	114.333 Å²	114.333	133 Å²	133	74%	0.742	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-58.1	145.5	170.5	26.6	-34.1	0	0	0	109.9
2492	P	70.1	Confident	50.4	Low	115.333 Å²	115.333	136 Å²	136	75%	0.749	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-59.1	141.8	178.5	24.9	-33.5	0	0	0	110.4
2493	P	71.1	Confident	50.2	Low	105 Å²	105	136.3 Å²	136.3	68%	0.682	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-61.9	148	178.6	26.8	-34.4	0	0	0	110.5	I2495	P2493-I2495 PolarHBondContact O-N 3.07Å; P2493-I2495 VanDerWaalsContact O-N 3.1Å
2494	P	68.1	Low	50.3	Low	103 Å²	103	135.7 Å²	135.7	67%	0.669	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-59.4	118.9	175.5	24.5	-32.7	0	0	0	109.6	W2496	P2494-W2496 VanDerWaalsContact C-N 3.34Å; P2494-W2496 VanDerWaalsContact O-CD1 3.3Å; P2494-W2496 PolarHBondContact O-N 3.17Å; P2494-W2496 VanDerWaalsContact O-N 3.15Å
2495	I	66.6	Low	50.3	Low	146.333 Å²	146.333	132.6 Å²	132.6	75%	0.75	76%	0.764	S	S	*	*			trans	-74.2	98.1	174.9	-58.5	175	0	0	0	107	P2493	P2493-I2495 PolarHBondContact O-N 3.07Å; P2493-I2495 VanDerWaalsContact O-N 3.1Å
2496	W	55.5	Low	50.1	Low	210 Å²	210	128.2 Å²	128.2	80%	0.795	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-62.8	137.2	169.5	-64.9	82.1	0	0	0	109	P2494	P2494-W2496 VanDerWaalsContact C-N 3.34Å; P2494-W2496 VanDerWaalsContact O-CD1 3.3Å; P2494-W2496 PolarHBondContact O-N 3.17Å; P2494-W2496 VanDerWaalsContact O-N 3.15Å
2497	P	59.5	Low	50.1	Low	103.667 Å²	103.667	125.9 Å²	125.9	67%	0.673	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-58.4	142.9	169	26.8	-33.5	0	0	0	108.9	S2499	P2497-S2499 PolarHBondContact O-N 3.09Å; P2497-S2499 VanDerWaalsContact O-N 3.11Å
2498	P	53.7	Low	49.9	Very low	125 Å²	125	123.5 Å²	123.5	81%	0.812	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-58.7	124	-178.4	23.7	-32.7	0	0	0	109.7	G2500	P2498-G2500 VanDerWaalsContact C-N 3.31Å; P2498-G2500 PolarHBondContact O-N 2.85Å
2499	S	44.9	Very low	49.7	Very low	120.333 Å²	120.333	123 Å²	123	84%	0.841	75%	0.75	S	S	*	*			trans	-53.2	107.1	176.1	-59	0	0	0	0	109.7	P2497 N2501	P2497-S2499 PolarHBondContact O-N 3.09Å; P2497-S2499 VanDerWaalsContact O-N 3.11Å; S2499-N2501 PolarHBondContact O-N 3.25Å
2500	G	37.6	Very low	48.9	Very low	64.3333 Å²	64.3333	122.1 Å²	122.1	66%	0.663	75%	0.751	S	S	*	*			trans	-60.2	106.6	-178.6	0	0	0	0	0	110.6	P2498 M2502	P2498-G2500 VanDerWaalsContact C-N 3.31Å; P2498-G2500 PolarHBondContact O-N 2.85Å; G2500-M2502 VanDerWaalsContact C-N 3.28Å; G2500-M2502 PolarHBondContact O-N 3.14Å; G2500-M2502 VanDerWaalsContact O-N 3.11Å
2501	N	38.3	Very low	47.5	Very low	130.667 Å²	130.667	122.3 Å²	122.3	70%	0.699	75%	0.754	S	S	*	*			trans	-67.5	98	-174.9	-165.7	32.9	0	0	0	110.6	S2499 N2503	S2499-N2501 PolarHBondContact O-N 3.25Å; N2501-N2503 VanDerWaalsContact C-N 3.28Å; N2501-N2503 PolarHBondContact ND2-OD1 3.45Å; N2501-N2503 PolarHBondContact O-N 3.24Å
2502	M	37.6	Very low	46	Very low	174.667 Å²	174.667	122.7 Å²	122.7	86%	0.86	75%	0.754	S	S	*	*			trans	-75	79.6	178.5	-67.4	-106.6	174.3	0	0	110	G2500 S2504	G2500-M2502 VanDerWaalsContact C-N 3.28Å; G2500-M2502 PolarHBondContact O-N 3.14Å; G2500-M2502 VanDerWaalsContact O-N 3.11Å; M2502-S2504 PolarHBondContact O-N 3.08Å
2503	N	37.2	Very low	44.4	Very low	130.667 Å²	130.667	124.6 Å²	124.6	70%	0.699	76%	0.758	S	S	*	*			trans	-78.7	83.3	171.2	-88.6	-10.7	0	0	0	110.4	N2501 L2505	N2501-N2503 VanDerWaalsContact C-N 3.28Å; N2501-N2503 PolarHBondContact ND2-OD1 3.45Å; N2501-N2503 PolarHBondContact O-N 3.24Å; N2503-L2505 PolarHBondContact O-N 3.4Å
2504	S	36.2	Very low	42.5	Very low	105.667 Å²	105.667	125.1 Å²	125.1	74%	0.739	76%	0.764	S	S	*	*			trans	-83.8	98.2	162.4	61.8	0	0	0	0	109.9	M2502 S2506	M2502-S2504 PolarHBondContact O-N 3.08Å; S2504-S2506 VanDerWaalsContact C-N 3.33Å; S2504-S2506 PolarHBondContact O-N 2.9Å
2505	L	37.7	Very low	41.4	Very low	163 Å²	163	125.9 Å²	125.9	85%	0.853	77%	0.769	S	S	*	*			trans	-94.7	105.9	169.4	-117.8	81.5	0	0	0	109.3	N2503	N2503-L2505 PolarHBondContact O-N 3.4Å
2506	S	36.7	Very low	40.1	Very low	87.6667 Å²	87.6667	122.9 Å²	122.9	61%	0.613	77%	0.766	S	S	*	*			trans	-92.2	113.3	131.5	69.8	0	0	0	0	111.1	S2504	S2504-S2506 VanDerWaalsContact C-N 3.33Å; S2504-S2506 PolarHBondContact O-N 2.9Å
2507	T	36.5	Very low	39.1	Very low	132.667 Å²	132.667	119.9 Å²	119.9	81%	0.814	77%	0.766	S	S	*	*			trans	46.9	107.5	146.2	53.8	0	0	0	0	119	S2509	T2507-S2509 PolarHBondContact O-N 3.44Å
2508	G	35.1	Very low	37.9	Very low	80 Å²	80	121.5 Å²	121.5	83%	0.825	77%	0.768	S	S	*	*			trans	-167.1	85.8	155.4	0	0	0	0	0	114.1
2509	S	38.1	Very low	37.1	Very low	107.333 Å²	107.333	124.2 Å²	124.2	75%	0.751	77%	0.767	S	S	*	*			trans	-52.7	126.1	164.5	53.4	0	0	0	0	115.1	T2507 S2511	T2507-S2509 PolarHBondContact O-N 3.44Å; S2509-S2511 PolarHBondContact O-N 3.42Å
2510	V	34.3	Very low	36.6	Very low	138.333 Å²	138.333	126.5 Å²	126.5	84%	0.838	76%	0.764	S	S	*	*			trans	-48.3	119	155.2	-176.3	0	0	0	0	112.6	V2512	V2510-V2512 HydrophobicContact CG1-CG1 3.98Å
2511	S	34.4	Very low	36.8	Very low	110.333 Å²	110.333	129.1 Å²	129.1	77%	0.772	77%	0.77	S	S	*	*			trans	-123.2	121.5	158.9	-97.6	0	0	0	0	111.7	S2509	S2509-S2511 PolarHBondContact O-N 3.42Å
2512	V	36.7	Very low	36.8	Very low	123 Å²	123	128 Å²	128	75%	0.745	77%	0.768	S	S	*	*			trans	-68.6	149	152.3	-72.9	0	0	0	0	114.2	V2510	V2510-V2512 HydrophobicContact CG1-CG1 3.98Å
2513	N	36.6	Very low	37.1	Very low	155.333 Å²	155.333	125.2 Å²	125.2	83%	0.831	76%	0.763	S	S	*	*			trans	65.3	117.3	168.6	-58.8	-25.3	0	0	0	118.4
2514	S	32.1	Very low	37.4	Very low	114.333 Å²	114.333	124.7 Å²	124.7	80%	0.8	77%	0.766	S	S	*	*			trans	-57.5	173.2	148.4	-43.4	0	0	0	0	111.9
2515	P	44.8	Very low	37.6	Very low	121 Å²	121	124.9 Å²	124.9	79%	0.786	77%	0.765	S	S	*	*			cis	-139.2	-163.1	7	42.1	-22.2	0	0	0	115.1
2516	A	38.3	Very low	37.6	Very low	82.3333 Å²	82.3333	123.1 Å²	123.1	68%	0.68	77%	0.766	S	S	*	*			trans	84	106.3	148.3	0	0	0	0	0	120.8
2517	N	34.1	Very low	37.7	Very low	146.667 Å²	146.667	125.3 Å²	125.3	78%	0.784	78%	0.776	S	S	*	*				63.9	129.2	128.2	-88.9	-51.2	0	0	0	122.4
2518	L	36	Very low	37.4	Very low	137.667 Å²	137.667	124.7 Å²	124.7	72%	0.721	78%	0.776	S	S	*	*			trans	84.6	114.2	144.2	-67.2	157.5	0	0	0	119.9
2519	K	36.5	Very low	37.2	Very low	182.667 Å²	182.667	125.9 Å²	125.9	79%	0.794	77%	0.772	S	S	*	*			trans	71.4	103.6	140.1	-73.8	172.7	175.5	174.5	0	119.6
2520	Q	34.8	Very low	36.8	Very low	168.333 Å²	168.333	126.1 Å²	126.1	79%	0.787	77%	0.773	S	S	*	*				43.8	116.4	120.2	-165.1	-173.4	8.4	0	0	118	T2522	Q2520-T2522 PolarHBondContact O-N 3.25Å; Q2520-T2522 VanDerWaalsContact O-N 3.16Å
2521	P	40.9	Very low	36.8	Very low	118.667 Å²	118.667	128 Å²	128	77%	0.771	78%	0.775	S	S	*	*			trans	-106.7	133.9	134.4	25.4	-11.2	0	0	0	111
2522	T	38.6	Very low	36.6	Very low	108 Å²	108	127.8 Å²	127.8	66%	0.663	77%	0.773	S	S	*	*				-35.9	142.5	120.4	-41.1	0	0	0	0	112.6	Q2520	Q2520-T2522 PolarHBondContact O-N 3.25Å; Q2520-T2522 VanDerWaalsContact O-N 3.16Å
2523	P	44	Very low	36.9	Very low	115.333 Å²	115.333	128.4 Å²	128.4	75%	0.749	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-78.6	140.1	-176.9	30.7	-34.3	0	0	0	113.6
2524	P	43.7	Very low	36.9	Very low	120 Å²	120	124.4 Å²	124.4	78%	0.779	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-94.2	156.1	160.8	17.9	-10.2	0	0	0	112.3
2525	P	40.3	Very low	37.3	Very low	110.333 Å²	110.333	125 Å²	125	72%	0.716	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-98.4	154.5	-147.1	34.3	-31.6	0	0	0	113.1	V2527	P2525-V2527 PolarHBondContact O-N 3.29Å
2526	S	37.6	Very low	37	Very low	125.333 Å²	125.333	126.7 Å²	126.7	88%	0.876	77%	0.77	S	S	*	*			trans	-74	118.5	164.9	-53.1	0	0	0	0	111.1
2527	V	38	Very low	36.9	Very low	133.333 Å²	133.333	132.9 Å²	132.9	81%	0.808	78%	0.776	S	S	*	*			trans	-133.4	119.4	162	-86.5	0	0	0	0	109.1	P2525	P2525-V2527 PolarHBondContact O-N 3.29Å
2528	C	30.2	Very low	37	Very low	120.333 Å²	120.333	130.9 Å²	130.9	81%	0.813	77%	0.773	S	S	*	*			trans	-61.4	137.6	149.4	-167.9	0	0	0	0	111.4
2529	S	31.8	Very low	37.2	Very low	106 Å²	106	130 Å²	130	74%	0.741	78%	0.776	S	S	*	*			trans	120	118	159.5	-60.4	0	0	0	0	115.9
2530	S	29.9	Very low	37.1	Very low	111.333 Å²	111.333	125.8 Å²	125.8	78%	0.779	78%	0.776	S	S	*	*			trans	58.7	135	144.9	72.8	0	0	0	0	116.4
2531	M	32.9	Very low	37.1	Very low	178.333 Å²	178.333	122.7 Å²	122.7	88%	0.878	77%	0.772	S	S	*	*				179.5	152.2	126.4	-60.7	-156.3	80	0	0	112.7
2532	S	31.6	Very low	36.7	Very low	105 Å²	105	124.2 Å²	124.2	73%	0.734	77%	0.772	S	S	*	*			trans	-65.9	148.6	178	-45.6	0	0	0	0	114.3	A2534	S2532-A2534 VanDerWaalsContact C-N 3.28Å; S2532-A2534 PolarHBondContact O-N 3.27Å
2533	P	42	Very low	36.6	Very low	135.333 Å²	135.333	127.5 Å²	127.5	88%	0.879	78%	0.78	S	S	*	*			trans	-81.4	96.2	158.9	32.4	-28.7	0	0	0	109.8
2534	A	37	Very low	36.2	Very low	72 Å²	72	126.8 Å²	126.8	60%	0.595	77%	0.773	S	S	*	*			trans	-90.3	158.1	163.9	0	0	0	0	0	109.6	S2532 I2536	S2532-A2534 VanDerWaalsContact C-N 3.28Å; S2532-A2534 PolarHBondContact O-N 3.27Å; A2534-I2536 WeakPolarHBondContact O-CG1 3.4Å; A2534-I2536 PolarHBondContact O-N 3.08Å
2535	P	39.7	Very low	36.3	Very low	127.333 Å²	127.333	126.2 Å²	126.2	83%	0.827	77%	0.769	S	S	*	*			trans	-66.5	127	174.6	28.3	-33.2	0	0	0	110.7	R2537	P2535-R2537 PolarHBondContact O-N 3.32Å; P2535-R2537 VanDerWaalsContact O-N 3.14Å
2536	I	38.4	Very low	36.3	Very low	155.667 Å²	155.667	125.8 Å²	125.8	80%	0.798	77%	0.765	S	S	*	*			trans	-62.8	104.7	155	-58.5	172	0	0	0	111.4	A2534	A2534-I2536 WeakPolarHBondContact O-CG1 3.4Å; A2534-I2536 PolarHBondContact O-N 3.08Å
2537	R	36	Very low	36.6	Very low	212.333 Å²	212.333	124.5 Å²	124.5	80%	0.801	75%	0.754	S	S	*	*			trans	39	98.5	158.5	-90.2	-161.6	139	-131.2	0.7	118.5	P2535	P2535-R2537 PolarHBondContact O-N 3.32Å; P2535-R2537 VanDerWaalsContact O-N 3.14Å
2538	S	36.3	Very low	36.7	Very low	104.667 Å²	104.667	123.2 Å²	123.2	73%	0.732	75%	0.746	S	S	*	*				40.4	124.5	124.2	-46.6	0	0	0	0	120.4
2539	P	42.2	Very low	37	Very low	120.667 Å²	120.667	122.5 Å²	122.5	78%	0.784	74%	0.743	S	S	*	*				-105.1	156.6	87	35.8	-32.1	0	0	0	113.6
2540	A	33.4	Very low	37.2	Very low	94 Å²	94	125.4 Å²	125.4	78%	0.777	74%	0.742	S	S	*	*				88.6	146.5	125.9	0	0	0	0	0	116.5
2541	S	33.9	Very low	37.6	Very low	103 Å²	103	127.9 Å²	127.9	72%	0.72	74%	0.741	S	S	*	*			trans	172.4	138.6	131.7	-118.8	0	0	0	0	114.9
2542	I	33.2	Very low	37.9	Very low	149.667 Å²	149.667	125.8 Å²	125.8	77%	0.768	73%	0.732	S	S	*	*			trans	65.2	110.8	146	-52.4	154.7	0	0	0	116.3
2543	H	37.6	Very low	38.3	Very low	177.333 Å²	177.333	126.2 Å²	126.2	82%	0.821	73%	0.732	S	S	*	*				-159.2	150.1	76.2	-142.5	-86.4	0	0	0	112.3
2544	V	35.6	Very low	38.3	Very low	101 Å²	101	127.8 Å²	127.8	61%	0.612	73%	0.728	S	S	*	*			trans	-92.2	159.9	174.1	-154.8	0	0	0	0	109.1
2545	P	45.8	Very low	38.6	Very low	107.333 Å²	107.333	129.5 Å²	129.5	70%	0.697	73%	0.733	S	S	*	*				-151.2	145.5	79.2	36	-13.7	0	0	0	118.7	N3112 T3113	P2545-N3112 WeakPolarHBondContact CB-O 3.43Å; P2545-T3113 VanDerWaalsContact CB-O 3.24Å; P2545-T3113 WeakPolarHBondContact CB-O 3.19Å; P2545-T3113 WeakPolarHBondContact CG-O 3.2Å
2546	T	39.5	Very low	38.3	Very low	101.333 Å²	101.333	133.9 Å²	133.9	62%	0.622	73%	0.734	S	S	*	*			trans	-56.1	155	149.2	-2.5	0	0	0	0	113.4	N3112 T3113	T2546-N3112 VanDerWaalsContact C-OD1 3.29Å; T2546-N3112 PolarHBondContact O-OD1 3.37Å; T2546-T3113 VanDerWaalsContact O-CA 3.32Å; T2546-T3113 WeakPolarHBondContact O-CA 3.42Å; T2546-T3113 PolarHBondContact O-N 3.21Å
2547	P	44.5	Very low	38.8	Very low	99 Å²	99	131.8 Å²	131.8	64%	0.643	73%	0.731	S	S	*	*				-132.3	159.3	67.8	35	-14.6	0	0	0	113.8	N3112	P2547-N3112 WeakPolarHBondContact CD-OD1 3.2Å; P2547-N3112 WeakPolarHBondContact CG-OD1 3.32Å
2548	T	39	Very low	39.3	Very low	106.333 Å²	106.333	125.8 Å²	125.8	65%	0.652	72%	0.72	S	S	*	*				34.1	124.1	126.1	-21.1	0	0	0	0	117.7	F2550	T2548-F2550 HydrophobicContact CG2-CD2 4.22Å; T2548-F2550 HydrophobicContact CG2-CE2 3.86Å; T2548-F2550 HydrophobicContact CG2-CZ 4.41Å
2549	S	36.9	Very low	39.3	Very low	105.667 Å²	105.667	129.8 Å²	129.8	74%	0.739	73%	0.726	S	S	*	*			trans	164.9	156.9	132.1	-159.5	0	0	0	0	113.8
2550	F	36	Very low	38.9	Very low	167 Å²	167	126.8 Å²	126.8	73%	0.732	72%	0.717	S	S	*	*			cis	-154.3	157.3	-26.6	-102.6	-84.2	0	0	0	109.2	T2548	T2548-F2550 HydrophobicContact CG2-CD2 4.22Å; T2548-F2550 HydrophobicContact CG2-CE2 3.86Å; T2548-F2550 HydrophobicContact CG2-CZ 4.41Å
2551	H	38.7	Very low	39.1	Very low	162.333 Å²	162.333	129 Å²	129	75%	0.752	72%	0.721	S	S	*	*			trans	101.6	135.8	145.2	-114.1	-93.8	0	0	0	116.3
2552	I	38	Very low	39.2	Very low	134.667 Å²	134.667	128.9 Å²	128.9	69%	0.691	72%	0.721	S	S	*	*			trans	-74.4	138.2	140.8	-69.8	164.2	0	0	0	108.4
2553	P	41.4	Very low	39.3	Very low	114 Å²	114	126.5 Å²	126.5	74%	0.74	72%	0.717	S	S	*	*				-151.2	169.4	54.7	41.5	-20.3	0	0	0	118.6
2554	H	41.4	Very low	39.3	Very low	169 Å²	169	125.4 Å²	125.4	78%	0.782	72%	0.716	S	S	*	*			trans	-41.2	171.7	149.9	-55.7	-72.3	0	0	0	114.3
2555	P	42.7	Very low	39.5	Very low	107.333 Å²	107.333	126 Å²	126	70%	0.697	72%	0.721	S	S	*	*			cis	-148.4	176	19.9	41.6	-20.5	0	0	0	119
2556	Y	34.7	Very low	39.3	Very low	219 Å²	219	126.3 Å²	126.3	86%	0.859	73%	0.725	S	S	*	*			trans	36.5	159.1	155	-70.5	-71.4	0	0	0	119.1
2557	P	47.1	Very low	39.7	Very low	113 Å²	113	127.4 Å²	127.4	73%	0.734	73%	0.734	S	S	*	*				-116.8	-99.8	-120	29	-8.2	0	0	0	114.3
2558	P	47.2	Very low	39.5	Very low	86.3333 Å²	86.3333	126.6 Å²	126.6	56%	0.561	74%	0.736	S	S	*	*				-122.1	-168.7	-54.7	35.5	-19.5	0	0	0	115.5
2559	H	36.3	Very low	39.6	Very low	187.667 Å²	187.667	130.6 Å²	130.6	87%	0.869	75%	0.747	S	S	*	*			trans	67	142.5	-179.6	-36.6	-67.1	0	0	0	113.8
2560	G	33.2	Very low	39.9	Very low	57.3333 Å²	57.3333	130.1 Å²	130.1	59%	0.591	74%	0.744	S	S	*	*			cis	147.9	154	10	0	0	0	0	0	109.6
2561	T	38.1	Very low	40.3	Very low	141.333 Å²	141.333	127.3 Å²	127.3	87%	0.867	74%	0.742	S	S	*	*			trans	68.5	139.5	173.4	73.6	0	0	0	0	115.2
2562	S	35.8	Very low	40.7	Very low	100.667 Å²	100.667	124.4 Å²	124.4	70%	0.704	74%	0.735	S	S	*	*			cis	158.2	146.4	24.1	-92.3	0	0	0	0	110.9
2563	S	36	Very low	41	Very low	98.3333 Å²	98.3333	123 Å²	123	69%	0.688	74%	0.735	S	S	*	*				93.1	151.6	115.7	-64.2	0	0	0	0	115.8
2564	L	38.4	Very low	41.2	Very low	154 Å²	154	123.5 Å²	123.5	81%	0.806	74%	0.739	S	S	*	*				138.3	148.8	103.3	-75.7	176.4	0	0	0	109.7
2565	T	39.4	Very low	40.9	Very low	115.333 Å²	115.333	124.3 Å²	124.3	71%	0.708	74%	0.742	S	S	*	*			cis	164.4	124	23.4	32.5	0	0	0	0	109.9
2566	S	41.1	Very low	40.6	Very low	113.667 Å²	113.667	124.6 Å²	124.6	80%	0.795	75%	0.747	S	S	*	*				59.8	148.6	72.7	-56.1	0	0	0	0	116.6
2567	P	47.6	Very low	41.1	Very low	124 Å²	124	119.9 Å²	119.9	81%	0.805	74%	0.744	S	S	*	*			cis	-129.9	-153.8	2.7	37.8	-17.6	0	0	0	114.5
2568	A	40.8	Very low	40.5	Very low	81.6667 Å²	81.6667	119.5 Å²	119.5	68%	0.675	74%	0.743	S	S	*	*			trans	102.3	131.7	154.7	0	0	0	0	0	114.5
2569	Q	41.3	Very low	40	Very low	189.667 Å²	189.667	122 Å²	122	89%	0.886	75%	0.752	S	S	*	*			cis	177.4	137.1	12	-89.3	169.8	40.5	0	0	111
2570	S	43.3	Very low	40	Very low	96.6667 Å²	96.6667	119.3 Å²	119.3	68%	0.676	74%	0.743	S	S	*	*			trans	-57.3	162	149.9	-142.8	0	0	0	0	113.5
2571	P	43.4	Very low	40.2	Very low	108 Å²	108	122.9 Å²	122.9	70%	0.701	75%	0.748	S	S	*	*			cis	-133.7	158.6	46.3	37.3	-18.9	0	0	0	117.3	F3130	P2571-F3130 VanDerWaalsContact O-CZ 3.29Å; P2571-F3130 WeakPolarHBondContact O-CZ 3.1Å
2572	V	46.7	Very low	40.3	Very low	100.333 Å²	100.333	123.8 Å²	123.8	61%	0.608	74%	0.743	S	S	*	*			trans	-112.7	152.1	-174.7	155.9	0	0	0	0	111
2573	P	44.5	Very low	40.4	Very low	104.667 Å²	104.667	125.7 Å²	125.7	68%	0.68	74%	0.744	S	S	*	*			trans	-87.4	160.1	-172.3	35.7	-37.3	0	0	0	113.5	Q2575	P2573-Q2575 PolarHBondContact O-N 2.86Å
2574	P	46.3	Very low	40.6	Very low	126 Å²	126	127.1 Å²	127.1	82%	0.818	74%	0.742	S	S	*	*			trans	-101.7	139.7	174.1	31.1	-25.9	0	0	0	114.7
2575	Q	35.6	Very low	40.6	Very low	184.333 Å²	184.333	129.4 Å²	129.4	86%	0.861	74%	0.74	S	S	*	*			trans	-115.8	143.5	153.4	-73.9	-170.5	3.9	0	0	109.2	P2573	P2573-Q2575 PolarHBondContact O-N 2.86Å
2576	S	35.7	Very low	40.5	Very low	114 Å²	114	128.6 Å²	128.6	80%	0.797	74%	0.739	S	S	*	*			trans	111.7	157.9	164.7	-57.5	0	0	0	0	114.4
2577	P	45.2	Very low	40.4	Very low	121.333 Å²	121.333	127.9 Å²	127.9	79%	0.788	73%	0.733	S	S	*	*				-130	173.2	71.6	39.4	-24.9	0	0	0	114.8
2578	S	34.5	Very low	40	Very low	104 Å²	104	129.4 Å²	129.4	73%	0.727	74%	0.735	S	S	*	*			trans	-115.1	122.6	159.4	-32.5	0	0	0	0	113.1
2579	N	37.5	Very low	40.1	Very low	138 Å²	138	130.5 Å²	130.5	74%	0.738	74%	0.744	S	S	*	*			trans	167.7	121.4	143.1	-96	-70.3	0	0	0	110.6
2580	I	35.9	Very low	40	Very low	133 Å²	133	124.7 Å²	124.7	68%	0.682	74%	0.735	S	S	*	*				68.9	111.7	73.8	-86.2	179	0	0	0	112.5
2581	N	36.9	Very low	40	Very low	132 Å²	132	127.1 Å²	127.1	71%	0.706	75%	0.746	S	S	*	*				157.6	129.4	127.2	-93.9	-44.6	0	0	0	115.2
2582	Q	39.8	Very low	40	Very low	159.667 Å²	159.667	126.1 Å²	126.1	75%	0.746	75%	0.747	S	S	*	*			trans	56.8	133.6	143.3	-71.3	-175.5	71.9	0	0	118.2
2583	L	38.8	Very low	39.9	Very low	140 Å²	140	127.7 Å²	127.7	73%	0.733	76%	0.756	S	S	*	*				103.1	113.6	120.8	-155.9	75.4	0	0	0	117.8
2584	M	40.5	Very low	40	Very low	129.333 Å²	129.333	128.3 Å²	128.3	64%	0.637	76%	0.761	S	S	*	*			trans	73.5	129	149.6	-62.1	-88.5	-113.4	0	0	119.6
2585	R	37.5	Very low	39.8	Very low	202.667 Å²	202.667	130.3 Å²	130.3	77%	0.765	76%	0.761	S	S	*	*				106.7	133.3	117.1	-83.6	174.1	-173.6	-161.6	0.8	115.3
2586	S	37.6	Very low	40.4	Very low	98 Å²	98	127 Å²	127	69%	0.685	76%	0.755	S	S	*	*				109.5	140.9	83.9	-69	0	0	0	0	113.7
2587	S	38.9	Very low	40.5	Very low	98.3333 Å²	98.3333	126.5 Å²	126.5	69%	0.688	75%	0.752	S	S	*	*				104.2	140.5	108.4	-66.4	0	0	0	0	116.9
2588	N	38.7	Very low	40.1	Very low	155.333 Å²	155.333	125.5 Å²	125.5	83%	0.831	75%	0.748	S	S	*	*				95.2	140.7	111.4	-75.7	3.4	0	0	0	117.5
2589	A	42.6	Very low	40.3	Very low	105.667 Å²	105.667	129.3 Å²	129.3	87%	0.873	75%	0.754	S	S	*	*				152.6	142.4	106.9	0	0	0	0	0	114.4
2590	G	40.6	Very low	40.5	Very low	67 Å²	67	128 Å²	128	69%	0.691	75%	0.753	S	S	*	*			cis	149.9	163.1	13.8	0	0	0	0	0	112.9
2591	T	43.7	Very low	40.7	Very low	148.333 Å²	148.333	126.8 Å²	126.8	91%	0.91	76%	0.756	S	S	*	*			trans	72.5	137.5	141.4	-2.8	0	0	0	0	115.9
2592	A	43.3	Very low	41	Very low	86.6667 Å²	86.6667	125.9 Å²	125.9	72%	0.716	76%	0.758	S	S	*	*			cis	171.2	145.8	31.8	0	0	0	0	0	112.9
2593	T	43.4	Very low	41	Very low	132.667 Å²	132.667	124.5 Å²	124.5	81%	0.814	76%	0.76	S	S	*	*				-91.6	152.4	122.6	3.8	0	0	0	0	113.4
2594	P	46.3	Very low	41	Very low	119 Å²	119	123 Å²	123	77%	0.773	76%	0.758	S	S	*	*				-131	-164.8	70.8	39.9	-24.2	0	0	0	116.8
2595	M	42.6	Very low	40.8	Very low	168 Å²	168	125.1 Å²	125.1	83%	0.828	77%	0.767	S	S	*	*			trans	-120	146.5	165.4	-79.7	-172.6	65.7	0	0	112
2596	P	47.9	Very low	40.7	Very low	113.667 Å²	113.667	119.3 Å²	119.3	74%	0.738	76%	0.758	S	S	*	*			trans	-106.2	165.7	147	33.5	-24	0	0	0	113.6
2597	S	37.8	Very low	40.6	Very low	103.333 Å²	103.333	121.9 Å²	121.9	72%	0.723	76%	0.758	S	S	*	*			trans	170.7	136.7	133.2	26.1	0	0	0	0	110.9
2598	S	37.5	Very low	40.6	Very low	101 Å²	101	124.6 Å²	124.6	71%	0.706	76%	0.76	S	S	*	*			cis	-158.5	133.1	-6	-38	0	0	0	0	109.9
2599	H	38.1	Very low	40.4	Very low	182.667 Å²	182.667	122.2 Å²	122.2	85%	0.846	75%	0.751	S	S	*	*			trans	-88.6	144.6	146.3	-67.4	-77.4	0	0	0	113.1
2600	P	41.6	Very low	40.1	Very low	110.667 Å²	110.667	124.1 Å²	124.1	72%	0.719	75%	0.745	S	S	*	*			cis	-133.3	169.9	3.5	39.9	-24	0	0	0	115.2
2601	S	39.7	Very low	39.9	Very low	108 Å²	108	127.9 Å²	127.9	76%	0.755	75%	0.749	S	S	*	*			trans	12.3	166.6	147.3	-49.8	0	0	0	0	113.6
2602	P	43.2	Very low	39.9	Very low	114 Å²	114	126.2 Å²	126.2	74%	0.74	74%	0.74	S	S	*	*			trans	-146.4	174.5	176.4	37	-16.2	0	0	0	114.4
2603	V	40.1	Very low	39.7	Very low	130.5 Å²	130.5	127.2 Å²	127.2	79%	0.791	74%	0.742	S	S	*	*				78	120.1	90.7	-176	0	0	0	0	115.1
2604	P	40.3	Very low	39.4	Very low	107.5 Å²	107.5	123.6 Å²	123.6	70%	0.698	73%	0.732	S	S	*	*				-125.8	-165.9	-82.7	37.4	-19.3	0	0	0	113.8
2605	Q	35.5	Very low	39.1	Very low	173.5 Å²	173.5	127 Å²	127	81%	0.811	74%	0.737	S	S	*	*			trans	139.1	104.5	149.9	-99.4	167.6	-1.9	0	0	116.8
2606	S	34.7	Very low	39	Very low	82 Å²	82	126.2 Å²	126.2	57%	0.573	73%	0.73	S	S	*	*				88.4	150.8	102.4	66.6	0	0	0	0	117.2
2607	H	36.9	Very low	38.5	Very low	151.5 Å²	151.5	127.6 Å²	127.6	70%	0.701	73%	0.731	S	S	*	*			trans	77	117.9	157.5	-61.3	-57.4	0	0	0	118.2
2608	H	37.5	Very low	38.5	Very low	155.5 Å²	155.5	127.4 Å²	127.4	72%	0.72	73%	0.726	S	S	*	*				132.6	139.4	76.2	-80.8	-49.3	0	0	0	112.4
2609	T	34.6	Very low	38.3	Very low	106 Å²	106	126.7 Å²	126.7	65%	0.65	72%	0.721	S	S	*	*			cis	120.2	136.4	28.8	-64.5	0	0	0	0	110
2610	I	36.9	Very low	38.2	Very low	144 Å²	144	126.4 Å²	126.4	74%	0.738	72%	0.72	S	S	*	*			trans	81.1	112.1	154.6	-55.2	-177.1	0	0	0	115.2
2611	L	35.4	Very low	37.9	Very low	148 Å²	148	125.6 Å²	125.6	78%	0.775	72%	0.717	S	S	*	*				45.7	152.9	97.5	-70.4	162.5	0	0	0	114.9
2612	P	44.1	Very low	37.7	Very low	112 Å²	112	127.6 Å²	127.6	73%	0.727	72%	0.718	S	S	*	*			cis	-124.7	-169.6	31.9	43.2	-30.4	0	0	0	114.3
2613	S	38.9	Very low	37.3	Very low	107 Å²	107	129.3 Å²	129.3	75%	0.748	72%	0.72	S	S	*	*				-52	168.5	73.4	-47.1	0	0	0	0	114.8
2614	G	37.5	Very low	37.2	Very low	58.5 Å²	58.5	128.5 Å²	128.5	60%	0.603	72%	0.718	S	S	*	*			cis	131.7	154.1	15.1	0	0	0	0	0	109.9
2615	H	40.8	Very low	36.8	Very low	189.5 Å²	189.5	128.2 Å²	128.2	88%	0.877	72%	0.718	S	S	*	*				161	148.5	85.4	-47.1	-92.6	0	0	0	113.5
2616	H	39.8	Very low	36.6	Very low	151 Å²	151	127.2 Å²	127.2	70%	0.699	71%	0.714	S	S	*	*			cis	-152.5	122.3	-5.3	164.5	-87.4	0	0	0	110.2	T2618	H2616-T2618 PolarHBondContact CD2-OG1 3.27Å; H2616-T2618 PolarHBondContact CE1-OG1 3.44Å; H2616-T2618 PolarHBondContact NE2-OG1 3.44Å
2617	L	38.4	Very low	36.5	Very low	144 Å²	144	128.5 Å²	128.5	75%	0.754	72%	0.723	S	S	*	*			trans	113.2	145.7	148.5	-61.1	-174.2	0	0	0	113.4
2618	T	36.3	Very low	36.3	Very low	98.5 Å²	98.5	126.1 Å²	126.1	60%	0.604	72%	0.723	S	S	*	*			cis	137.7	111.4	-4.4	-60	0	0	0	0	109.7	H2616	H2616-T2618 PolarHBondContact CD2-OG1 3.27Å; H2616-T2618 PolarHBondContact CE1-OG1 3.44Å; H2616-T2618 PolarHBondContact NE2-OG1 3.44Å
2619	S	35	Very low	36.1	Very low	86 Å²	86	124.6 Å²	124.6	60%	0.601	73%	0.725	S	S	*	*			cis	120.9	124.1	48	-96.9	0	0	0	0	114.3
2620	Q	35	Very low	35.9	Very low	177 Å²	177	123.5 Å²	123.5	83%	0.827	72%	0.715	S	S	*	*			trans	72.8	146.8	139.2	-58.2	-176.2	49.7	0	0	118.4
2621	S	34.8	Very low	35.8	Very low	93.5 Å²	93.5	125.3 Å²	125.3	65%	0.654	71%	0.712	S	S	*	*			cis	-163.1	176.8	11.4	-133	0	0	0	0	112
2622	L	35.4	Very low	35.6	Very low	150.5 Å²	150.5	124.5 Å²	124.5	79%	0.788	70%	0.704	S	S	*	*			trans	67	120.4	166.8	-65.4	168.7	0	0	0	117.9
2623	L	35.5	Very low	35.1	Very low	148.5 Å²	148.5	126.4 Å²	126.4	78%	0.777	70%	0.703	S	S	*	*				67.6	159.6	74	-52.4	171	0	0	0	116
2624	P	38.1	Very low	34.8	Very low	115 Å²	115	127.1 Å²	127.1	75%	0.747	70%	0.699	S	S	*	*			cis	-110.4	-158.7	-28.4	23.9	-4.6	0	0	0	111.8
2625	S	31.8	Very low	34.6	Very low	101.5 Å²	101.5	131.2 Å²	131.2	71%	0.71	70%	0.702	S	S	*	*				87.7	143.2	91.7	-47.8	0	0	0	0	116.1
2626	E	30.5	Very low	34	Very low	151.5 Å²	151.5	126.6 Å²	126.6	71%	0.708	69%	0.691	S	S	*	*				-130.7	167.6	94.8	-84.5	171.8	126.2	0	0	109.8
2627	S	33	Very low	33.5	Very low	109 Å²	109	128.7 Å²	128.7	76%	0.762	70%	0.699	S	S	*	*			trans	66.9	157.5	160.2	84.1	0	0	0	0	117.1
2628	S	33	Very low	33.1	Very low	101 Å²	101	125.8 Å²	125.8	71%	0.706	70%	0.696	S	S	*	*			cis	-168.8	158	-21.3	-99.1	0	0	0	0	108.5
2629	V	32.6	Very low	32.8	Very low	125 Å²	125	125.5 Å²	125.5	76%	0.758	70%	0.703	S	S	*	*			trans	56	109	145.8	-146.8	0	0	0	0	119.9
2630	N	30.9	Very low	32.8	Very low	83 Å²	83	126 Å²	126	44%	0.444	71%	0.707	S	S	.	*				57.8	119.4	124.2	-150.5	3.6	0	0	0	120.9	S1853 E1854 Q2632	S1853-N2630 WeakPolarHBondContact CB-OD1 3.39Å; S1853-N2630 PolarHBondContact OG-OD1 2.9Å; E1854-N2630 WeakPolarHBondContact CB-OD1 3.48Å; E1854-N2630 PolarHBondContact OE2-ND2 2.76Å; E1854-N2630 PolarHBondContact OE2-OD1 2.71Å; E1854-N2630 VanDerWaalsContact OE2-OD1 3.13Å; N2630-Q2632 PolarHBondContact ND2-OE1 2.88Å; N2630-Q2632 VanDerWaalsContact ND2-OE1 3.07Å; N2630-Q2632 WeakPolarHBondContact OD1-CG 3.45Å; N2630-Q2632 PolarHBondContact OD1-OE1 2.83Å
2631	R	34.1	Very low	33	Very low	182 Å²	182	126 Å²	126	69%	0.687	71%	0.707	S	S	*	*			trans	150.9	122.4	135.8	-136.5	172.6	-122.2	146.2	-2.2	114.2	S1853 E1854	S1853-R2631 VanDerWaalsContact CB-N 3.25Å; S1853-R2631 WeakPolarHBondContact O-CA 3.49Å; E1854-R2631 HydrophobicContact CB-CB 4.48Å; E1854-R2631 HydrophobicContact CB-CG 4.31Å; E1854-R2631 IonicContact OE1-CZ 3.18Å; E1854-R2631 IonicContact OE1-NE 2.77Å; E1854-R2631 PolarHBondContact OE1-NE 3.41Å; E1854-R2631 IonicContact OE1-NH2 2.75Å; E1854-R2631 PolarHBondContact OE1-NH2 3.42Å; E1854-R2631 IonicContact OE2-CZ 3.97Å; E1854-R2631 IonicContact OE2-NH2 3.09Å; E1854-R2631 PolarHBondContact OE2-NH2 3.06Å; E1854-R2631 VanDerWaalsContact OE2-NH2 3.09Å
2632	Q	32.5	Very low	33.4	Very low	130.5 Å²	130.5	127.3 Å²	127.3	61%	0.61	71%	0.713	S	S	*	*				10.7	115.8	94.6	-68.3	178.3	-52.1	0	0	114.1	S1853 N2630 N2634	S1853-Q2632 PolarHBondContact O-N 2.96Å; S1853-Q2632 VanDerWaalsContact O-N 3.15Å; N2630-Q2632 PolarHBondContact ND2-OE1 2.88Å; N2630-Q2632 VanDerWaalsContact ND2-OE1 3.07Å; N2630-Q2632 WeakPolarHBondContact OD1-CG 3.45Å; N2630-Q2632 PolarHBondContact OD1-OE1 2.83Å; Q2632-N2634 WeakPolarHBondContact CA-OD1 3.47Å; Q2632-N2634 VanDerWaalsContact CB-OD1 3.3Å; Q2632-N2634 WeakPolarHBondContact CB-OD1 3.31Å
2633	Q	33.1	Very low	33.6	Very low	151.5 Å²	151.5	123.9 Å²	123.9	71%	0.708	71%	0.706	S	S	*	*			trans	-161.1	122.5	136.6	-84	-177.5	8.8	0	0	108.1
2634	N	32.2	Very low	33.8	Very low	122.5 Å²	122.5	123 Å²	123	66%	0.655	71%	0.707	S	S	*	*				61.4	68.4	65.9	-71.1	36.6	0	0	0	119.6	Q2632	Q2632-N2634 WeakPolarHBondContact CA-OD1 3.47Å; Q2632-N2634 VanDerWaalsContact CB-OD1 3.3Å; Q2632-N2634 WeakPolarHBondContact CB-OD1 3.31Å
2635	H	34.2	Very low	33.9	Very low	143.5 Å²	143.5	123.5 Å²	123.5	66%	0.664	71%	0.71	S	S	*	*			trans	150.8	118.3	151.9	-53.8	-46.1	0	0	0	113.2
2636	S	28.8	Very low	34.3	Very low	93.5 Å²	93.5	122 Å²	122	65%	0.654	71%	0.71	S	S	*	*				77.7	132.4	78.9	-54.8	0	0	0	0	116.5
2637	F	27.8	Very low	34.5	Very low	195 Å²	195	121.1 Å²	121.1	86%	0.855	72%	0.716	S	S	*	*			trans	71.2	136.3	166.8	-63.4	-77	0	0	0	117.2
2638	A	29.9	Very low	34.8	Very low	83 Å²	83	121.4 Å²	121.4	69%	0.686	72%	0.715	S	S	*	*			cis	142.5	136.1	32.4	0	0	0	0	0	112.4
2639	A	31	Very low	34.9	Very low	92.5 Å²	92.5	122.8 Å²	122.8	76%	0.764	72%	0.715	S	S	*	*			trans	65.8	145.4	167.2	0	0	0	0	0	114.5
2640	S	34.7	Very low	34.9	Very low	97.5 Å²	97.5	121.3 Å²	121.3	68%	0.682	71%	0.709	S	S	*	*			cis	-151.2	136	14.5	-29.5	0	0	0	0	108.3
2641	H	38.3	Very low	35.1	Very low	177 Å²	177	125.1 Å²	125.1	82%	0.819	72%	0.724	S	S	*	*				53.3	144.9	106.7	-60.2	-59.2	0	0	0	117.5
2642	P	44.3	Very low	35.1	Very low	120.5 Å²	120.5	123.4 Å²	123.4	78%	0.782	73%	0.728	S	S	*	*			cis	-119.4	-176.2	1.2	44.1	-30.7	0	0	0	112.9
2643	A	40.2	Very low	35	Very low	79 Å²	79	122.6 Å²	122.6	65%	0.653	74%	0.736	S	S	*	*				128.3	128.1	71.7	0	0	0	0	0	112.6
2644	T	39.1	Very low	35.3	Very low	129 Å²	129	118.8 Å²	118.8	79%	0.791	74%	0.737	S	S	*	*			cis	61	135.5	48.8	-41.6	0	0	0	0	111.7
2645	P	39.5	Very low	35.7	Very low	126 Å²	126	118.8 Å²	118.8	82%	0.818	74%	0.744	S	S	*	*			cis	-130.3	-177.2	11.5	26.9	-4.6	0	0	0	115.1
2646	G	40.9	Very low	35.5	Very low	68.5 Å²	68.5	114.6 Å²	114.6	71%	0.706	74%	0.739	S	S	*	*			trans	125.2	82.9	151.5	0	0	0	0	0	116.7
2647	T	34.9	Very low	35.6	Very low	134.5 Å²	134.5	116.1 Å²	116.1	83%	0.825	74%	0.74	S	S	*	*				-18.4	160.8	99.5	52.2	0	0	0	0	111.5
2648	P	38.7	Very low	35.7	Very low	114 Å²	114	113 Å²	113	74%	0.74	74%	0.737	S	S	*	*			cis	-124.9	-168.9	8.3	44.1	-30.3	0	0	0	113.8
2649	N	35.1	Very low	35.8	Very low	131.5 Å²	131.5	117.9 Å²	117.9	70%	0.703	74%	0.743	S	S	*	*				127.9	141.3	54.5	-118.7	-9.9	0	0	0	113.6	Q2651	N2649-Q2651 PolarHBondContact OD1-NE2 3.45Å; N2649-Q2651 VanDerWaalsContact OD1-NE2 3.12Å
2650	S	33.1	Very low	35.9	Very low	92 Å²	92	118.5 Å²	118.5	64%	0.643	74%	0.742	S	S	*	*				-3.4	158.8	97.2	-41.3	0	0	0	0	115.1
2651	Q	34	Very low	35.9	Very low	163.5 Å²	163.5	117 Å²	117	76%	0.764	74%	0.736	S	S	*	*			trans	80	151.5	173.1	-58.1	163	56.9	0	0	115.9	N2649	N2649-Q2651 PolarHBondContact OD1-NE2 3.45Å; N2649-Q2651 VanDerWaalsContact OD1-NE2 3.12Å
2652	L	34.5	Very low	36.1	Very low	146 Å²	146	114.2 Å²	114.2	76%	0.764	73%	0.733	S	S	*	*				141.5	151	81.3	-90	88.4	0	0	0	115.2
2653	C	31.7	Very low	35.8	Very low	113.5 Å²	113.5	112.5 Å²	112.5	77%	0.767	73%	0.729	S	S	*	*				123.2	141.4	71.7	-81.7	0	0	0	0	112.7
2654	G	38.8	Very low	35.8	Very low	72.5 Å²	72.5	113.6 Å²	113.6	75%	0.747	73%	0.728	S	S	*	*			trans	-5.9	-165.8	168.9	0	0	0	0	0	113
2655	P	41.1	Very low	35.8	Very low	121.5 Å²	121.5	112.4 Å²	112.4	79%	0.789	72%	0.722	S	S	*	*			cis	-129.4	163.6	23.4	39.1	-24.3	0	0	0	115.3	A2661	P2655-A2661 WeakPolarHBondContact O-CB 3.42Å
2656	G	30	Very low	35.6	Very low	55.5 Å²	55.5	109.1 Å²	109.1	57%	0.572	71%	0.712	S	S	*	*				81.5	135.5	73.5	0	0	0	0	0	117.4
2657	N	30.2	Very low	35.2	Very low	125 Å²	125	111.1 Å²	111.1	67%	0.668	72%	0.721	S	S	*	*				126.8	121.3	66.6	-87.9	-5.5	0	0	0	114.6	F2659 S2660 A2661	N2657-F2659 VanDerWaalsContact C-C 3.44Å; N2657-F2659 VanDerWaalsContact CB-O 3.31Å; N2657-F2659 WeakPolarHBondContact CB-O 3.42Å; N2657-F2659 CarbonylContact O-C 3.17Å; N2657-S2660 CarbonylContact O-C 3.13Å; N2657-S2660 VanDerWaalsContact O-C 3.29Å; N2657-S2660 WeakPolarHBondContact O-CA 3.35Å; N2657-S2660 PolarHBondContact O-N 3.21Å; N2657-A2661 CarbonylContact C-O 3.47Å; N2657-A2661 HydrophobicContact CB-CB 3.96Å; N2657-A2661 PolarHBondContact N-O 3.43Å; N2657-A2661 CarbonylContact O-C 3.52Å; N2657-A2661 PolarHBondContact O-N 3.04Å
2658	T	28.9	Very low	35.1	Very low	129.5 Å²	129.5	108.2 Å²	108.2	79%	0.794	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	165.3	103.1	147.6	-62	0	0	0	0	113.7
2659	F	32.2	Very low	34.7	Very low	186 Å²	186	109.2 Å²	109.2	82%	0.816	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn		-13.3	131.7	76.1	-86.3	-110.7	0	0	0	119.4	N2657	N2657-F2659 VanDerWaalsContact C-C 3.44Å; N2657-F2659 VanDerWaalsContact CB-O 3.31Å; N2657-F2659 WeakPolarHBondContact CB-O 3.42Å; N2657-F2659 CarbonylContact O-C 3.17Å
2660	S	34.8	Very low	34.7	Very low	105.5 Å²	105.5	108.4 Å²	108.4	74%	0.738	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	95.1	77.9	150	-50.7	0	0	0	0	122.5	N2657	N2657-S2660 CarbonylContact O-C 3.13Å; N2657-S2660 VanDerWaalsContact O-C 3.29Å; N2657-S2660 WeakPolarHBondContact O-CA 3.35Å; N2657-S2660 PolarHBondContact O-N 3.21Å
2661	A	33.5	Very low	35	Very low	67 Å²	67	110.3 Å²	110.3	55%	0.554	74%	0.737	S	S	*	*			trans	-122	173.9	168.9	0	0	0	0	0	115.4	P2655 N2657	P2655-A2661 WeakPolarHBondContact O-CB 3.42Å; N2657-A2661 CarbonylContact C-O 3.47Å; N2657-A2661 HydrophobicContact CB-CB 3.96Å; N2657-A2661 PolarHBondContact N-O 3.43Å; N2657-A2661 CarbonylContact O-C 3.52Å; N2657-A2661 PolarHBondContact O-N 3.04Å
2662	P	43.1	Very low	35	Very low	118 Å²	118	105.7 Å²	105.7	77%	0.766	73%	0.734	S	S	*	*				-136.4	179.7	-84.4	42.5	-24.5	0	0	0	117.9
2663	A	37.2	Very low	34.9	Very low	83.5 Å²	83.5	103.2 Å²	103.2	69%	0.69	72%	0.721	S	S	*	*			trans	148.3	169.6	159.3	0	0	0	0	0	118.3	N2385	N2385-A2663 PolarHBondContact ND2-O 2.92Å
2664	T	40.8	Very low	34.9	Very low	104 Å²	104	102.3 Å²	102.3	64%	0.638	71%	0.712	S	S	*	*			trans	-130.1	-177.5	178.4	45.6	0	0	0	0	111.1	N2383	N2383-T2664 WeakPolarHBondContact O-CB 3.43Å; N2383-T2664 WeakPolarHBondContact O-CG2 3.48Å
2665	P	39.6	Very low	34.6	Very low	102.5 Å²	102.5	101.2 Å²	101.2	67%	0.666	70%	0.7	S	S	*	*			cis	-121.8	-168.4	-14.4	41.4	-27.7	0	0	0	114.2	N2383	N2383-P2665 HydrophobicContact CB-CB 3.76Å
2666	G	34.4	Very low	34.2	Very low	57.5 Å²	57.5	100.3 Å²	100.3	59%	0.593	69%	0.693	S	S	*	*				108.5	119.9	69	0	0	0	0	0	120.8
2667	A	33	Very low	34.4	Very low	109.5 Å²	109.5	103.8 Å²	103.8	91%	0.905	70%	0.697	S	S	*	*			trans	77.1	127.5	141.8	0	0	0	0	0	125.7
2668	G	32.3	Very low	34.4	Very low	73.5 Å²	73.5	101 Å²	101	76%	0.758	69%	0.688	S	S	*	*			trans	86	141.8	136.8	0	0	0	0	0	119.9
2669	T	30.9	Very low	34.6	Very low	135.5 Å²	135.5	103.5 Å²	103.5	83%	0.831	68%	0.684	S	S	*	*				-154.8	156.1	-95.1	48.9	0	0	0	0	113.8
2670	S	33.9	Very low	34.5	Very low	115.5 Å²	115.5	99.6 Å²	99.6	81%	0.808	68%	0.68	S	S	*	*			trans	69.4	167.1	167.6	-63.2	0	0	0	0	117.7
2671	P	39.9	Very low	34.6	Very low	131.5 Å²	131.5	98.6 Å²	98.6	85%	0.854	68%	0.678	S	S	*	*			cis	-132.1	173.2	-20.6	36.8	-18.1	0	0	0	115.8
2672	G	34.2	Very low	34.9	Very low	67.5 Å²	67.5	100.8 Å²	100.8	70%	0.696	69%	0.687	S	S	*	*			trans	163.8	-171.8	163.6	0	0	0	0	0	120.2
2673	N	32.1	Very low	34.5	Very low	92 Å²	92	101.3 Å²	101.3	49%	0.492	69%	0.687	S	S	.	*			trans	85.9	167.9	166.9	-110.3	-9.6	0	0	0	120.3	R2367 G2705 D2706 I2707	R2367-N2673 HydrophobicContact CB-CB 4.43Å; R2367-N2673 PolarHBondContact NH1-ND2 2.86Å; N2673-G2705 PolarHBondContact ND2-O 2.98Å; N2673-D2706 WeakPolarHBondContact ND2-CA 3.49Å; N2673-I2707 HydrophobicContact CB-CG2 3.84Å; N2673-I2707 PolarHBondContact ND2-N 3.33Å
2674	V	32	Very low	34.4	Very low	95 Å²	95	104.5 Å²	104.5	58%	0.576	69%	0.693	S	S	*	*			trans	66.9	111.5	151.5	-177.6	0	0	0	0	120.1	I2707 Q2709 V2711	V2674-I2707 WeakPolarHBondContact CA-O 3.42Å; V2674-I2707 PolarHBondContact N-O 2.8Å; V2674-I2707 VanDerWaalsContact N-O 3.09Å; V2674-Q2709 WeakPolarHBondContact CG1-O 3.32Å; V2674-Q2709 HydrophobicContact CG2-CB 4.39Å; V2674-V2711 HydrophobicContact CG1-CG1 3.85Å
2675	G	33	Very low	34.3	Very low	49 Å²	49	104.9 Å²	104.9	51%	0.505	70%	0.698	S	S	.	*			trans	-138.1	149	156.9	0	0	0	0	0	114.9	D2706 S2708 Q2709	G2675-D2706 PolarHBondContact N-OD2 3.3Å; G2675-S2708 VanDerWaalsContact CA-OG 3.29Å; G2675-S2708 WeakPolarHBondContact CA-OG 3.29Å; G2675-S2708 CarbonylContact O-C 3.28Å; G2675-S2708 VanDerWaalsContact O-CA 3.25Å; G2675-S2708 WeakPolarHBondContact O-CA 3.34Å; G2675-S2708 VanDerWaalsContact O-CB 3.23Å; G2675-S2708 WeakPolarHBondContact O-CB 3.43Å; G2675-S2708 PolarHBondContact O-OG 3.29Å; G2675-Q2709 PolarHBondContact O-N 3.42Å
2676	V	32.3	Very low	34	Very low	103 Å²	103	103 Å²	103	62%	0.624	70%	0.696	S	S	*	*			trans	-100.8	168.4	-179.8	144	0	0	0	0	116.3	S2678 S2708	V2676-S2678 PolarHBondContact O-N 3.31Å; V2676-S2708 PolarHBondContact N-OG 2.99Å
2677	L	33.8	Very low	34	Very low	128.5 Å²	128.5	107 Å²	107	67%	0.673	70%	0.704	S	S	*	*			trans	29.7	132.3	179.2	-59.8	171.2	0	0	0	115.4	R3014	L2677-R3014 VanDerWaalsContact CA-NE 3.27Å
2678	S	31	Very low	34	Very low	67 Å²	67	108.1 Å²	108.1	47%	0.469	70%	0.699	S	S	.	*			cis	134	117.8	22.7	-82.4	0	0	0	0	112.3	V2676 R3014	V2676-S2678 PolarHBondContact O-N 3.31Å; S2678-R3014 PolarHBondContact OG-NE 3.37Å; S2678-R3014 PolarHBondContact OG-NH2 3.48Å
2679	Y	31.7	Very low	34.1	Very low	181.5 Å²	181.5	112.9 Å²	112.9	71%	0.712	70%	0.7	S	S	*	*			trans	-174.6	122.2	146	-83.2	-77.3	0	0	0	112	Y3013 N3015	Y2679-Y3013 VanDerWaalsContact N-CE1 3.28Å; Y2679-Y3013 VanDerWaalsContact O-CD2 3.28Å; Y2679-Y3013 WeakPolarHBondContact O-CD2 3.4Å; Y2679-Y3013 WeakPolarHBondContact O-CE2 3.37Å; Y2679-N3015 WeakPolarHBondContact CD2-ND2 3.46Å
2680	S	31.4	Very low	34.1	Very low	105.5 Å²	105.5	113.8 Å²	113.8	74%	0.738	70%	0.698	S	S	*	*			trans	-11.6	114	156.1	-56.7	0	0	0	0	118.6	Y3013	S2680-Y3013 PolarHBondContact N-OH 3.24Å; S2680-Y3013 PolarHBondContact OG-OH 3.44Å
2681	A	37	Very low	34.2	Very low	84.5 Å²	84.5	114.6 Å²	114.6	70%	0.698	70%	0.697	S	S	*	*			trans	-103.6	150.1	152	0	0	0	0	0	111.1
2682	P	39.5	Very low	33.9	Very low	112 Å²	112	110.9 Å²	110.9	73%	0.727	68%	0.683	S	S	*	*			trans	-118.6	120.8	139	37.9	-29	0	0	0	112.8
2683	T	34.7	Very low	33.9	Very low	128 Å²	128	113.4 Å²	113.4	79%	0.785	69%	0.69	S	S	*	*			trans	3.7	135.6	130.4	54.2	0	0	0	0	114.4
2684	N	35.9	Very low	34	Very low	152.5 Å²	152.5	114.5 Å²	114.5	82%	0.816	71%	0.706	S	S	*	*			trans	-10.3	159.8	138.9	-120.4	-48.8	0	0	0	116
2685	P	37.7	Very low	34.1	Very low	111.5 Å²	111.5	113.7 Å²	113.7	72%	0.724	71%	0.709	S	S	*	*			cis	-141.5	176.6	39.7	40.5	-23.4	0	0	0	117.1
2686	G	32.6	Very low	34.2	Very low	62 Å²	62	118 Å²	118	64%	0.639	72%	0.717	S	S	*	*			trans	-146.1	122.4	163	0	0	0	0	0	115.9	V2688	G2686-V2688 PolarHBondContact O-N 2.86Å
2687	N	34.2	Very low	34.3	Very low	141 Å²	141	120.1 Å²	120.1	75%	0.754	72%	0.72	S	S	*	*			trans	0.2	99.8	133.3	-74.7	0.8	0	0	0	114.8	F2689	N2687-F2689 HydrophobicContact CB-CD2 3.97Å; N2687-F2689 HydrophobicContact CB-CE2 3.73Å; N2687-F2689 HydrophobicContact CB-CZ 4.44Å; N2687-F2689 PolarHBondContact O-N 3.09Å; N2687-F2689 VanDerWaalsContact O-N 3.16Å
2688	V	34.4	Very low	34.2	Very low	133.5 Å²	133.5	118.1 Å²	118.1	81%	0.809	71%	0.713	S	S	*	*			trans	-113.4	119.6	145.1	179.9	0	0	0	0	108.9	G2686 I2690	G2686-V2688 PolarHBondContact O-N 2.86Å; V2688-I2690 VanDerWaalsContact C-N 3.32Å; V2688-I2690 HydrophobicContact CG1-CD1 3.84Å; V2688-I2690 HydrophobicContact CG1-CG1 3.83Å; V2688-I2690 PolarHBondContact O-N 3.34Å
2689	F	33.4	Very low	34.3	Very low	175 Å²	175	119.1 Å²	119.1	77%	0.768	72%	0.72	S	S	*	*			trans	-74.1	117.2	-171.5	-69	-90	0	0	0	115.1	N2687	N2687-F2689 HydrophobicContact CB-CD2 3.97Å; N2687-F2689 HydrophobicContact CB-CE2 3.73Å; N2687-F2689 HydrophobicContact CB-CZ 4.44Å; N2687-F2689 PolarHBondContact O-N 3.09Å; N2687-F2689 VanDerWaalsContact O-N 3.16Å
2690	I	32.4	Very low	34.4	Very low	153.5 Å²	153.5	119.2 Å²	119.2	79%	0.787	72%	0.719	S	S	*	*			trans	-117.3	105.1	152.2	-62.6	175.9	0	0	0	108.9	V2688	V2688-I2690 VanDerWaalsContact C-N 3.32Å; V2688-I2690 HydrophobicContact CG1-CD1 3.84Å; V2688-I2690 HydrophobicContact CG1-CG1 3.83Å; V2688-I2690 PolarHBondContact O-N 3.34Å
2691	V	34.8	Very low	34.4	Very low	132 Å²	132	121.2 Å²	121.2	80%	0.8	72%	0.718	S	S	*	*			trans	-128.7	121.8	157.2	179.1	0	0	0	0	104.2
2692	G	34.5	Very low	34.3	Very low	54.5 Å²	54.5	122.9 Å²	122.9	56%	0.562	72%	0.72	S	S	*	*			cis	127.1	116.7	41.8	0	0	0	0	0	109.4
2693	S	33.9	Very low	34	Very low	119.5 Å²	119.5	122.1 Å²	122.1	84%	0.836	72%	0.718	S	S	*	*				62.4	91.6	95.2	-55.2	0	0	0	0	116.9
2694	S	33.6	Very low	33.9	Very low	116.5 Å²	116.5	125.4 Å²	125.4	82%	0.815	72%	0.724	S	S	*	*				-165.2	154.7	85	-110.6	0	0	0	0	109.8
2695	A	33.5	Very low	33.9	Very low	78 Å²	78	121.4 Å²	121.4	65%	0.645	72%	0.719	S	S	*	*				147.9	133.2	80.6	0	0	0	0	0	113.7
2696	M	34.9	Very low	33.6	Very low	138.5 Å²	138.5	121.8 Å²	121.8	68%	0.682	72%	0.715	S	S	*	*				-157.5	151.4	57.1	-78.6	-76.6	73.7	0	0	110.2	M2321	M2321-M2696 HydrophobicContact CE-CE 4.35Å; M2321-M2696 HydrophobicContact CG-CE 4.3Å; M2321-M2696 HydrophobicContact CG-SD 4.24Å; M2321-M2696 HydrophobicContact SD-CE 4.24Å
2697	H	34.6	Very low	33.8	Very low	148 Å²	148	124.9 Å²	124.9	69%	0.685	72%	0.716	S	S	*	*				126	107.9	84.5	-152.9	-117	0	0	0	116.9
2698	V	33	Very low	33.6	Very low	85.5 Å²	85.5	121.3 Å²	121.3	52%	0.518	70%	0.701	S	S	.	*			trans	-19.4	108.6	148.4	170.8	0	0	0	0	113.4	R2700	V2698-R2700 HydrophobicContact CG1-CB 4.42Å; V2698-R2700 PolarHBondContact O-N 3.37Å
2699	S	33.4	Very low	33.4	Very low	89 Å²	89	122.4 Å²	122.4	62%	0.622	70%	0.698	S	S	*	*				-173.9	126.4	117.7	-67.9	0	0	0	0	110.5	I2083	I2083-S2699 WeakPolarHBondContact CG2-O 3.28Å
2700	R	32.8	Very low	33.2	Very low	182.5 Å²	182.5	118.5 Å²	118.5	69%	0.689	69%	0.692	S	S	*	*				-90.8	137.4	80.1	-131.8	168.1	-173.6	172.3	5.2	108.5	V2085 V2698 T2702	V2085-R2700 PolarHBondContact O-NH1 3.49Å; V2698-R2700 HydrophobicContact CG1-CB 4.42Å; V2698-R2700 PolarHBondContact O-N 3.37Å; R2700-T2702 HydrophobicContact CG-CG2 4.42Å
2701	M	32.2	Very low	33.1	Very low	147 Å²	147	115.7 Å²	115.7	72%	0.724	68%	0.682	S	S	*	*				118.9	119.1	83	-58.5	-134.1	-177.4	0	0	112
2702	T	34.4	Very low	32.8	Very low	121 Å²	121	116.8 Å²	116.8	74%	0.742	67%	0.672	S	S	*	*				134.7	131.3	109.4	46.5	0	0	0	0	108.5	R2700	R2700-T2702 HydrophobicContact CG-CG2 4.42Å
2703	S	32.9	Very low	32.5	Very low	96 Å²	96	118.7 Å²	118.7	67%	0.671	68%	0.677	S	S	*	*			cis	119.5	138.6	30.4	61.2	0	0	0	0	109.7
2704	E	33.6	Very low	32.3	Very low	196.5 Å²	196.5	119 Å²	119	92%	0.918	67%	0.668	S	S	*	*				135.9	165.9	75	-59.9	-177.3	131.2	0	0	116.1
2705	G	34.8	Very low	32	Very low	68 Å²	68	121.6 Å²	121.6	70%	0.701	67%	0.673	S	S	*	*				159.4	133.8	83.4	0	0	0	0	0	114.6	N2673	N2673-G2705 PolarHBondContact ND2-O 2.98Å
2706	D	32.3	Very low	31.8	Very low	119.5 Å²	119.5	123.5 Å²	123.5	64%	0.639	68%	0.677	S	S	*	*			trans	-78.4	151.4	172.7	-157	-91	0	0	0	112.5	N2673 G2675 S2708	N2673-D2706 WeakPolarHBondContact ND2-CA 3.49Å; G2675-D2706 PolarHBondContact N-OD2 3.3Å; D2706-S2708 WeakPolarHBondContact OD1-CB 3.34Å; D2706-S2708 PolarHBondContact OD1-N 2.79Å; D2706-S2708 PolarHBondContact OD1-OG 3.45Å; D2706-S2708 PolarHBondContact OD2-N 2.6Å; D2706-S2708 PolarHBondContact OD2-OG 2.62Å
2707	I	35.3	Very low	31.7	Very low	128.5 Å²	128.5	124 Å²	124	66%	0.659	68%	0.681	S	S	*	*			trans	-160.1	105.1	131.6	-133.5	159.2	0	0	0	110.3	N2673 V2674	N2673-I2707 HydrophobicContact CB-CG2 3.84Å; N2673-I2707 PolarHBondContact ND2-N 3.33Å; V2674-I2707 WeakPolarHBondContact CA-O 3.42Å; V2674-I2707 PolarHBondContact N-O 2.8Å; V2674-I2707 VanDerWaalsContact N-O 3.09Å
2708	S	30	Very low	31.7	Very low	65.5 Å²	65.5	122 Å²	122	46%	0.458	68%	0.682	S	S	.	*			trans	-36.8	149.2	161.5	-70.5	0	0	0	0	118.6	G2675 V2676 D2706	G2675-S2708 VanDerWaalsContact CA-OG 3.29Å; G2675-S2708 WeakPolarHBondContact CA-OG 3.29Å; G2675-S2708 CarbonylContact O-C 3.28Å; G2675-S2708 VanDerWaalsContact O-CA 3.25Å; G2675-S2708 WeakPolarHBondContact O-CA 3.34Å; G2675-S2708 VanDerWaalsContact O-CB 3.23Å; G2675-S2708 WeakPolarHBondContact O-CB 3.43Å; G2675-S2708 PolarHBondContact O-OG 3.29Å; V2676-S2708 PolarHBondContact N-OG 2.99Å; D2706-S2708 WeakPolarHBondContact OD1-CB 3.34Å; D2706-S2708 PolarHBondContact OD1-N 2.79Å; D2706-S2708 PolarHBondContact OD1-OG 3.45Å; D2706-S2708 PolarHBondContact OD2-N 2.6Å; D2706-S2708 PolarHBondContact OD2-OG 2.62Å
2709	Q	31.4	Very low	31.5	Very low	156.5 Å²	156.5	125.7 Å²	125.7	73%	0.731	69%	0.693	S	S	*	*			trans	140.6	160.7	169.8	-86.9	158.9	107.5	0	0	115.7	V2674 G2675 V2711	V2674-Q2709 WeakPolarHBondContact CG1-O 3.32Å; V2674-Q2709 HydrophobicContact CG2-CB 4.39Å; G2675-Q2709 PolarHBondContact O-N 3.42Å; Q2709-V2711 VanDerWaalsContact C-N 3.34Å; Q2709-V2711 PolarHBondContact O-N 2.8Å
2710	S	29.1	Very low	31.4	Very low	92.5 Å²	92.5	126.2 Å²	126.2	65%	0.647	70%	0.697	S	S	*	*				-118.5	117.2	-89.4	55.1	0	0	0	0	113.2	Y2712	S2710-Y2712 WeakPolarHBondContact O-CD2 3.41Å
2711	V	29.3	Very low	31.2	Very low	94 Å²	94	121.6 Å²	121.6	57%	0.57	69%	0.693	S	S	*	*			trans	13.3	-173.6	143.1	-116.4	0	0	0	0	117.9	N2370 V2674 Q2709	N2370-V2711 HydrophobicContact CB-CG2 4.24Å; N2370-V2711 WeakPolarHBondContact ND2-CG2 3.41Å; V2674-V2711 HydrophobicContact CG1-CG1 3.85Å; Q2709-V2711 VanDerWaalsContact C-N 3.34Å; Q2709-V2711 PolarHBondContact O-N 2.8Å
2712	Y	29.7	Very low	31.1	Very low	155 Å²	155	119.4 Å²	119.4	61%	0.608	69%	0.692	S	S	*	*			trans	152.2	133.6	171.3	-67.6	-80.2	0	0	0	113.2	N2370 R2371 T2372 S2710 I2714	N2370-Y2712 HydrophobicContact CB-CD1 4.43Å; N2370-Y2712 PolarHBondContact ND2-O 3.4Å; N2370-Y2712 WeakPolarHBondContact O-CE1 3.19Å; N2370-Y2712 PolarHBondContact O-OH 3.3Å; N2370-Y2712 VanDerWaalsContact O-OH 3.11Å; R2371-Y2712 VanDerWaalsContact C-CB 3.44Å; R2371-Y2712 VanDerWaalsContact C-CD1 3.41Å; R2371-Y2712 WeakPolarHBondContact CA-OH 3.46Å; R2371-Y2712 HydrophobicContact CB-CD1 2.84Å; R2371-Y2712 HydrophobicContact CB-CD2 3.94Å; R2371-Y2712 HydrophobicContact CB-CE1 2.57Å; R2371-Y2712 HydrophobicContact CB-CE2 3.75Å; R2371-Y2712 HydrophobicContact CB-CG 3.53Å; R2371-Y2712 HydrophobicContact CG-CD1 2.9Å; R2371-Y2712 HydrophobicContact CG-CE1 3.11Å; R2371-Y2712 HydrophobicContact CG-CG 3.94Å; R2371-Y2712 PolarHBondContact N-OH 2.79Å; R2371-Y2712 WeakPolarHBondContact O-CD2 3.2Å; R2371-Y2712 WeakPolarHBondContact O-CE2 3.22Å; T2372-Y2712 VanDerWaalsContact OG1-CB 3.25Å; T2372-Y2712 WeakPolarHBondContact OG1-CB 3.4Å; S2710-Y2712 WeakPolarHBondContact O-CD2 3.41Å; Y2712-I2714 PolarHBondContact O-N 3.2Å
2713	S	27.4	Very low	30.9	Very low	95 Å²	95	119.7 Å²	119.7	66%	0.664	69%	0.689	S	S	*	*			trans	-123.7	125.1	170.9	-62.7	0	0	0	0	112.5	N2370	N2370-S2713 PolarHBondContact ND2-OG 2.89Å
2714	I	30.4	Very low	30.9	Very low	125.5 Å²	125.5	122.6 Å²	122.6	64%	0.644	69%	0.692	S	S	*	*			trans	-138.5	109	152.6	-50.7	176	0	0	0	106.1	Y2712 T2716	Y2712-I2714 PolarHBondContact O-N 3.2Å; I2714-T2716 HydrophobicContact CG2-CG2 3.83Å; I2714-T2716 WeakPolarHBondContact CG2-OG1 3.17Å; I2714-T2716 PolarHBondContact O-N 3.25Å
2715	N	26.7	Very low	30.8	Very low	172 Å²	172	121.2 Å²	121.2	92%	0.92	69%	0.685	S	S	*	*			trans	-80.1	88.2	163.5	-91.3	1.1	0	0	0	108	L2717	N2715-L2717 PolarHBondContact O-N 3.46Å; N2715-L2717 VanDerWaalsContact O-N 3.16Å
2716	T	30.2	Very low	30.8	Very low	116.5 Å²	116.5	124.2 Å²	124.2	72%	0.715	69%	0.689	S	S	*	*			trans	-101.9	97.3	163.7	29.3	0	0	0	0	108.3	I2714 P2718	I2714-T2716 HydrophobicContact CG2-CG2 3.83Å; I2714-T2716 WeakPolarHBondContact CG2-OG1 3.17Å; I2714-T2716 PolarHBondContact O-N 3.25Å; T2716-P2718 WeakPolarHBondContact O-CD 3.44Å
2717	L	31.8	Very low	30.6	Very low	149.5 Å²	149.5	123.5 Å²	123.5	78%	0.783	69%	0.694	S	S	*	*			trans	-44.6	136.8	151.6	-150.9	76.5	0	0	0	109.9	N2715 Q2719	N2715-L2717 PolarHBondContact O-N 3.46Å; N2715-L2717 VanDerWaalsContact O-N 3.16Å; L2717-Q2719 HydrophobicContact CD2-CG 4.07Å; L2717-Q2719 PolarHBondContact O-N 3.28Å
2718	P	35.1	Very low	30.5	Very low	107 Å²	107	122.7 Å²	122.7	70%	0.695	70%	0.7	S	S	*	*				-107.3	149.6	97.4	36.8	-25.2	0	0	0	109.8	T2716	T2716-P2718 WeakPolarHBondContact O-CD 3.44Å
2719	Q	29.7	Very low	30.5	Very low	162 Å²	162	125 Å²	125	76%	0.757	72%	0.716	S	S	*	*				-122.6	136.7	99.3	-105.3	166.9	-27.4	0	0	108.1	L2717	L2717-Q2719 HydrophobicContact CD2-CG 4.07Å; L2717-Q2719 PolarHBondContact O-N 3.28Å
2720	S	29.7	Very low	30.6	Very low	100.5 Å²	100.5	125.3 Å²	125.3	70%	0.703	72%	0.721	S	S	*	*			trans	-10	147.9	147	7.5	0	0	0	0	115.7
2721	S	29.9	Very low	31	Very low	86.5 Å²	86.5	126.7 Å²	126.7	61%	0.605	73%	0.728	S	S	*	*				83.6	143.1	80.5	42.3	0	0	0	0	111.9
2722	S	29.5	Very low	31.1	Very low	100.5 Å²	100.5	128.1 Å²	128.1	70%	0.703	74%	0.737	S	S	*	*			trans	138.7	143.9	137.7	57.5	0	0	0	0	114.3
2723	N	30.5	Very low	31.4	Very low	127.5 Å²	127.5	125.2 Å²	125.2	68%	0.682	75%	0.745	S	S	*	*				121.3	157.3	77	-102.4	18.5	0	0	0	110.3
2724	E	33.4	Very low	31.6	Very low	156.5 Å²	156.5	126.8 Å²	126.8	73%	0.731	75%	0.751	S	S	*	*				142.2	148	74	-98.4	154.3	-171.6	0	0	115.8
2725	H	30	Very low	31.9	Very low	166.5 Å²	166.5	128.2 Å²	128.2	77%	0.771	76%	0.755	S	S	*	*				10.5	153.4	123.9	-81.1	-115.2	0	0	0	113.5
2726	V	34.6	Very low	32.4	Very low	130.5 Å²	130.5	127.9 Å²	127.9	79%	0.791	75%	0.747	S	S	*	*				149.2	128.7	102.6	-166.1	0	0	0	0	115.2
2727	S	29	Very low	32.7	Very low	105 Å²	105	125.7 Å²	125.7	73%	0.734	75%	0.748	S	S	*	*			trans	-30.5	159.6	153.2	-44.7	0	0	0	0	118.3
2728	S	32.3	Very low	33.2	Very low	112 Å²	112	124.6 Å²	124.6	78%	0.783	75%	0.75	S	S	*	*			trans	125.6	131.1	152	60.4	0	0	0	0	112.4
2729	S	31	Very low	33.3	Very low	113.5 Å²	113.5	124.3 Å²	124.3	79%	0.794	75%	0.751	S	S	*	*			cis	135.7	135.6	33.5	-82.5	0	0	0	0	112.9
2730	L	34.2	Very low	33.8	Very low	162.5 Å²	162.5	123.5 Å²	123.5	85%	0.851	76%	0.756	S	S	*	*			trans	3.4	155.4	156.5	-63	172	0	0	0	115
2731	P	37.2	Very low	34.2	Very low	122.5 Å²	122.5	121.9 Å²	121.9	80%	0.795	76%	0.756	S	S	*	*				-137.5	-131.9	55.3	38.2	-19	0	0	0	116.5
2732	V	30.4	Very low	34.4	Very low	123.5 Å²	123.5	124.8 Å²	124.8	75%	0.748	77%	0.765	S	S	*	*			trans	-137.8	139.7	-155.5	165.5	0	0	0	0	111.3	V2734	V2732-V2734 HydrophobicContact CG1-CG2 3.96Å
2733	A	35.5	Very low	34.7	Very low	94 Å²	94	131.3 Å²	131.3	78%	0.777	78%	0.775	S	S	*	*			trans	-158.4	121.2	151.4	0	0	0	0	0	107.2
2734	V	32.3	Very low	35	Very low	129.5 Å²	129.5	131.7 Å²	131.7	79%	0.785	78%	0.782	S	S	*	*				71.2	98.5	51	-172.7	0	0	0	0	114.4	V2732	V2732-V2734 HydrophobicContact CG1-CG2 3.96Å
2735	E	37.2	Very low	35.2	Very low	155 Å²	155	127.9 Å²	127.9	72%	0.724	79%	0.786	S	S	*	*			trans	-156.1	155.6	147.3	-103	-101.2	83.7	0	0	109.8
2736	Q	36.8	Very low	35.4	Very low	164.5 Å²	164.5	125.8 Å²	125.8	77%	0.769	79%	0.79	S	S	*	*			trans	-3.5	146	137.4	-54.2	-175.8	85.7	0	0	113.4
2737	G	36.2	Very low	35.5	Very low	71.5 Å²	71.5	128.8 Å²	128.8	74%	0.737	80%	0.795	S	S	*	*			cis	100.3	142.7	29.1	0	0	0	0	0	110.1
2738	P	43.4	Very low	35.9	Very low	125 Å²	125	132.8 Å²	132.8	81%	0.812	80%	0.802	S	S	*	*			cis	-134	-178.2	16.4	37.4	-17.3	0	0	0	115
2739	S	37	Very low	36.2	Very low	101.5 Å²	101.5	136.4 Å²	136.4	71%	0.71	81%	0.807	S	S	*	*			cis	133.5	130.6	43.6	-129.4	0	0	0	0	117.1
2740	V	38.9	Very low	36.6	Very low	145 Å²	145	137.1 Å²	137.1	88%	0.879	81%	0.806	S	S	*	*			trans	63.3	137.3	148.6	-129.6	0	0	0	0	118.4
2741	G	38.6	Very low	36.8	Very low	66.5 Å²	66.5	138.5 Å²	138.5	69%	0.686	81%	0.808	S	S	*	*			cis	-166.1	166.4	12.1	0	0	0	0	0	115.3
2742	N	33.9	Very low	37.1	Very low	148.5 Å²	148.5	138.7 Å²	138.7	79%	0.794	81%	0.807	S	S	*	*			trans	-58.6	150.3	-179.4	-57.3	-39	0	0	0	113.7
2743	Y	36.7	Very low	37.5	Very low	235.5 Å²	235.5	142.1 Å²	142.1	92%	0.924	82%	0.815	S	S	*	*				-153.5	132.7	121.5	-100.4	-71.8	0	0	0	111
2744	T	36.6	Very low	37.9	Very low	136 Å²	136	146 Å²	146	83%	0.834	82%	0.817	S	S	*	*			trans	-80.6	138.6	-176.2	48.6	0	0	0	0	112.8
2745	G	37.6	Very low	38.7	Very low	77.5 Å²	77.5	142.2 Å²	142.2	80%	0.799	80%	0.804	S	S	*	*			trans	-161.5	97	171.8	0	0	0	0	0	112.4
2746	S	33.4	Very low	39.3	Very low	123 Å²	123	142.7 Å²	142.7	86%	0.86	81%	0.812	S	S	*	*			trans	-58.7	133.1	-179.5	51.7	0	0	0	0	114.5
2747	Q	37.5	Very low	40.2	Very low	192.5 Å²	192.5	143.2 Å²	143.2	90%	0.9	81%	0.808	S	S	*	*			trans	-146.8	133.2	151.6	-133.7	-177.7	100.7	0	0	111.4
2748	Q	37.2	Very low	41.7	Very low	190 Å²	190	143.3 Å²	143.3	89%	0.888	80%	0.797	S	S	*	*			trans	-76.2	123.2	-176.6	-64.7	170.1	-1.8	0	0	110.5
2749	Q	38.8	Very low	43.4	Very low	187.5 Å²	187.5	141.8 Å²	141.8	88%	0.876	79%	0.79	S	S	*	*			trans	-98.9	114.1	163.6	-84.9	-176.1	-16.9	0	0	109.4	H2751	Q2749-H2751 PolarHBondContact O-N 3.19Å
2750	T	39	Very low	45.7	Very low	127.5 Å²	127.5	140.5 Å²	140.5	78%	0.782	78%	0.778	S	S	*	*			trans	-68.6	119.2	169.1	47.6	0	0	0	0	109.8	T2752	T2750-T2752 PolarHBondContact O-N 2.89Å; T2750-T2752 VanDerWaalsContact O-N 3.14Å
2751	H	38.2	Very low	48.1	Very low	191 Å²	191	136 Å²	136	88%	0.884	75%	0.747	S	S	*	*			trans	-57	113.1	175.1	-79.6	-80.9	0	0	0	111.9	Q2749	Q2749-H2751 PolarHBondContact O-N 3.19Å
2752	T	44.3	Very low	50.6	Low	128 Å²	128	137.6 Å²	137.6	79%	0.785	74%	0.74	S	S	*	*			trans	-80.7	120.1	157.9	38	0	0	0	0	108.5	T2750 Q2754	T2750-T2752 PolarHBondContact O-N 2.89Å; T2750-T2752 VanDerWaalsContact O-N 3.14Å; T2752-Q2754 PolarHBondContact O-N 3.23Å; T2752-Q2754 VanDerWaalsContact O-N 3.13Å
2753	Q	39	Very low	53.3	Low	195.5 Å²	195.5	136.2 Å²	136.2	91%	0.914	73%	0.728	S	S	*	*			trans	-63.4	106.9	174.8	-71	-177.3	62.5	0	0	109.7	G2755	Q2753-G2755 PolarHBondContact O-N 3.23Å
2754	Q	42.7	Very low	56	Low	176 Å²	176	131.3 Å²	131.3	82%	0.822	71%	0.708	S	S	*	*			trans	-70.6	111.1	159.5	-76.4	-173.4	-0.2	0	0	107.5	T2752 N2756	T2752-Q2754 PolarHBondContact O-N 3.23Å; T2752-Q2754 VanDerWaalsContact O-N 3.13Å; Q2754-N2756 PolarHBondContact O-N 3.2Å
2755	G	49.5	Very low	58.7	Low	49.5 Å²	49.5	130.1 Å²	130.1	51%	0.51	69%	0.693	S	S	.	*			trans	-69.8	117.7	172.8	0	0	0	0	0	109.9	Q2753 Y2757	Q2753-G2755 PolarHBondContact O-N 3.23Å; G2755-Y2757 VanDerWaalsContact C-N 3.32Å; G2755-Y2757 VanDerWaalsContact O-CD2 3.25Å; G2755-Y2757 WeakPolarHBondContact O-CD2 3.36Å; G2755-Y2757 PolarHBondContact O-N 3.21Å
2756	N	50.1	Low	61.5	Low	165 Å²	165	134.6 Å²	134.6	88%	0.882	69%	0.686	S	S	*	*			trans	-65	91.6	169.3	-79.2	-13.5	0	0	0	109.4	Q2754 S2758	Q2754-N2756 PolarHBondContact O-N 3.2Å; N2756-S2758 PolarHBondContact O-N 3.16Å
2757	Y	55.1	Low	64.4	Low	174 Å²	174	133.7 Å²	133.7	68%	0.682	67%	0.671	S	S	*	*			trans	-67.3	120.1	169.7	-66.2	-76.7	0	0	0	108.9	G2755 E2761	G2755-Y2757 VanDerWaalsContact C-N 3.32Å; G2755-Y2757 VanDerWaalsContact O-CD2 3.25Å; G2755-Y2757 WeakPolarHBondContact O-CD2 3.36Å; G2755-Y2757 PolarHBondContact O-N 3.21Å; Y2757-E2761 HydrophobicContact CD1-CB 4.32Å; Y2757-E2761 HydrophobicContact CD1-CG 3.89Å; Y2757-E2761 HydrophobicContact CE1-CG 4.42Å
2758	S	68.4	Low	67.1	Low	74 Å²	74	130 Å²	130	52%	0.517	65%	0.652	S	S	.	*			trans	-55.1	147.1	167.6	175.8	0	0	0	0	109.8	N2756 T2760 E2761 L2762	N2756-S2758 PolarHBondContact O-N 3.16Å; S2758-T2760 WeakPolarHBondContact CB-OG1 3.25Å; S2758-T2760 PolarHBondContact O-N 3.05Å; S2758-T2760 PolarHBondContact OG-N 3.01Å; S2758-T2760 PolarHBondContact OG-OG1 2.87Å; S2758-E2761 PolarHBondContact O-N 3.23Å; S2758-L2762 PolarHBondContact O-N 2.86Å
2759	S	79.2	Confident	69.8	Low	94.5 Å²	94.5	125.8 Å²	125.8	66%	0.661	63%	0.632	S	S	*	*	H	α-helix	trans	-48.2	-34.3	174.9	-170	0	0	0	0	112.1	E2761 L2762 E2763	S2759-E2761 PolarHBondContact O-N 3.33Å; S2759-L2762 PolarHBondContact O-N 3Å; S2759-E2763 WeakPolarHBondContact O-CB 3.28Å; S2759-E2763 PolarHBondContact O-N 3.04Å
2760	T	85.6	Confident	72.6	Confident	74.5 Å²	74.5	121.6 Å²	121.6	46%	0.457	62%	0.615	S	S	.	*	H	α-helix	trans	-64.6	-33.7	176.2	7.2	0	0	0	0	113.8	S2758 R2764	S2758-T2760 WeakPolarHBondContact CB-OG1 3.25Å; S2758-T2760 PolarHBondContact O-N 3.05Å; S2758-T2760 PolarHBondContact OG-N 3.01Å; S2758-T2760 PolarHBondContact OG-OG1 2.87Å; T2760-R2764 WeakPolarHBondContact O-CB 3.31Å; T2760-R2764 WeakPolarHBondContact O-CG 3.47Å; T2760-R2764 PolarHBondContact O-N 2.93Å
2761	E	88.8	Confident	75.3	Confident	49 Å²	49	120.2 Å²	120.2	23%	0.229	60%	0.602	C	S	.	*	H	α-helix	trans	-77.8	-35.9	176.6	-169.6	58.3	-148.8	0	0	111.6	Y2757 S2758 S2759 E2763 R2764 Q2765 K2768	Y2757-E2761 HydrophobicContact CD1-CB 4.32Å; Y2757-E2761 HydrophobicContact CD1-CG 3.89Å; Y2757-E2761 HydrophobicContact CE1-CG 4.42Å; S2758-E2761 PolarHBondContact O-N 3.23Å; S2759-E2761 PolarHBondContact O-N 3.33Å; E2761-E2763 VanDerWaalsContact C-N 3.31Å; E2761-E2763 PolarHBondContact O-N 3.17Å; E2761-R2764 PolarHBondContact O-N 3.25Å; E2761-R2764 IonicContact OE2-CZ 3.22Å; E2761-R2764 IonicContact OE2-NE 2.98Å; E2761-R2764 PolarHBondContact OE2-NE 3.14Å; E2761-R2764 IonicContact OE2-NH2 2.71Å; E2761-R2764 PolarHBondContact OE2-NH2 2.95Å; E2761-Q2765 VanDerWaalsContact O-CB 3.27Å; E2761-Q2765 WeakPolarHBondContact O-CB 3.45Å; E2761-Q2765 PolarHBondContact O-N 2.81Å; E2761-K2768 IonicContact OE1-NZ 2.8Å; E2761-K2768 PolarHBondContact OE1-NZ 3.41Å
2762	L	90.6	Very high	78.1	Confident	101.5 Å²	101.5	113.9 Å²	113.9	53%	0.531	58%	0.583	S	S	.	*	H	α-helix	trans	-64	-38.6	173	-121	147.5	0	0	0	111.3	S2758 S2759 Q2765 R2766	S2758-L2762 PolarHBondContact O-N 2.86Å; S2759-L2762 PolarHBondContact O-N 3Å; L2762-Q2765 PolarHBondContact O-N 3.4Å; L2762-R2766 WeakPolarHBondContact O-CB 3.25Å; L2762-R2766 WeakPolarHBondContact O-CG 3.16Å; L2762-R2766 PolarHBondContact O-N 2.72Å
2763	E	90.9	Very high	80.5	Confident	118.5 Å²	118.5	114.1 Å²	114.1	55%	0.554	57%	0.573	S	S	*	*	H	α-helix	trans	-67	-44.7	172.5	-171.9	167.3	-156.8	0	0	112.2	S2759 E2761 Q2765 R2766 L2767	S2759-E2763 WeakPolarHBondContact O-CB 3.28Å; S2759-E2763 PolarHBondContact O-N 3.04Å; E2761-E2763 VanDerWaalsContact C-N 3.31Å; E2761-E2763 PolarHBondContact O-N 3.17Å; E2763-Q2765 VanDerWaalsContact C-N 3.28Å; E2763-Q2765 PolarHBondContact O-N 3.13Å; E2763-R2766 PolarHBondContact O-N 2.73Å; E2763-L2767 HydrophobicContact CG-CD1 4.32Å; E2763-L2767 WeakPolarHBondContact O-CB 3.47Å; E2763-L2767 WeakPolarHBondContact O-CG 3.4Å; E2763-L2767 PolarHBondContact O-N 3.31Å
2764	R	93.1	Very high	83.2	Confident	132 Å²	132	109.5 Å²	109.5	50%	0.498	55%	0.551	S	S	.	*	H	α-helix	trans	-58.7	-38.7	171.5	-79.1	-166.7	-68	-125.6	2.4	112.3	T2760 E2761 L2767 K2768	T2760-R2764 WeakPolarHBondContact O-CB 3.31Å; T2760-R2764 WeakPolarHBondContact O-CG 3.47Å; T2760-R2764 PolarHBondContact O-N 2.93Å; E2761-R2764 PolarHBondContact O-N 3.25Å; E2761-R2764 IonicContact OE2-CZ 3.22Å; E2761-R2764 IonicContact OE2-NE 2.98Å; E2761-R2764 PolarHBondContact OE2-NE 3.14Å; E2761-R2764 IonicContact OE2-NH2 2.71Å; E2761-R2764 PolarHBondContact OE2-NH2 2.95Å; R2764-L2767 PolarHBondContact O-N 3.17Å; R2764-K2768 WeakPolarHBondContact O-CB 3.45Å; R2764-K2768 WeakPolarHBondContact O-CD 3.48Å; R2764-K2768 WeakPolarHBondContact O-CG 3.19Å; R2764-K2768 PolarHBondContact O-N 3.23Å
2765	Q	94.2	Very high	85.8	Confident	112 Å²	112	105.5 Å²	105.5	52%	0.523	54%	0.539	S	S	.	.	H	α-helix	trans	-66.9	-42.6	177.5	-164.4	70.1	1.8	0	0	111.4	E2761 L2762 E2763 K2768 E2769	E2761-Q2765 VanDerWaalsContact O-CB 3.27Å; E2761-Q2765 WeakPolarHBondContact O-CB 3.45Å; E2761-Q2765 PolarHBondContact O-N 2.81Å; L2762-Q2765 PolarHBondContact O-N 3.4Å; E2763-Q2765 VanDerWaalsContact C-N 3.28Å; E2763-Q2765 PolarHBondContact O-N 3.13Å; Q2765-K2768 PolarHBondContact O-N 3Å; Q2765-E2769 PolarHBondContact O-N 3.38Å
2766	R	95.1	Very high	88	Confident	170.5 Å²	170.5	108.6 Å²	108.6	64%	0.643	54%	0.54	S	S	*	.	H	α-helix	trans	-63	-41.8	173.9	-121.9	179.9	-176.9	177.7	2	112.1	L2762 E2763 E2769 I2770	L2762-R2766 WeakPolarHBondContact O-CB 3.25Å; L2762-R2766 WeakPolarHBondContact O-CG 3.16Å; L2762-R2766 PolarHBondContact O-N 2.72Å; E2763-R2766 PolarHBondContact O-N 2.73Å; R2766-E2769 PolarHBondContact O-N 3.12Å; R2766-I2770 HydrophobicContact CG-CD1 4.21Å; R2766-I2770 WeakPolarHBondContact O-CD1 3.46Å; R2766-I2770 VanDerWaalsContact O-CG1 3.28Å; R2766-I2770 WeakPolarHBondContact O-CG1 3.4Å; R2766-I2770 PolarHBondContact O-N 3.17Å
2767	L	95.4	Very high	90.2	Very high	105.5 Å²	105.5	106.3 Å²	106.3	55%	0.552	52%	0.524	S	S	*	.	H	α-helix	trans	-64.7	-41.8	175.8	-72.7	169.2	0	0	0	112.1	E2763 R2764 E2769 I2770 L2771	E2763-L2767 HydrophobicContact CG-CD1 4.32Å; E2763-L2767 WeakPolarHBondContact O-CB 3.47Å; E2763-L2767 WeakPolarHBondContact O-CG 3.4Å; E2763-L2767 PolarHBondContact O-N 3.31Å; R2764-L2767 PolarHBondContact O-N 3.17Å; L2767-E2769 VanDerWaalsContact C-N 3.33Å; L2767-E2769 PolarHBondContact O-N 3.42Å; L2767-I2770 PolarHBondContact O-N 3.1Å; L2767-L2771 WeakPolarHBondContact O-CB 3.02Å; L2767-L2771 PolarHBondContact O-N 3.11Å
2768	K	94.2	Very high	92.1	Very high	114 Å²	114	103.7 Å²	103.7	50%	0.496	51%	0.513	S	S	.	.	H	α-helix	trans	-59.9	-42.1	172.4	-73.5	167	-175	168.2	0	111.8	E2761 R2764 Q2765 L2771 A2772	E2761-K2768 IonicContact OE1-NZ 2.8Å; E2761-K2768 PolarHBondContact OE1-NZ 3.41Å; R2764-K2768 WeakPolarHBondContact O-CB 3.45Å; R2764-K2768 WeakPolarHBondContact O-CD 3.48Å; R2764-K2768 WeakPolarHBondContact O-CG 3.19Å; R2764-K2768 PolarHBondContact O-N 3.23Å; Q2765-K2768 PolarHBondContact O-N 3Å; K2768-L2771 PolarHBondContact O-N 3.05Å; K2768-A2772 WeakPolarHBondContact O-CB 3.44Å; K2768-A2772 PolarHBondContact O-N 3.15Å
2769	E	94.5	Very high	93.4	Very high	101.5 Å²	101.5	104.7 Å²	104.7	47%	0.474	51%	0.509	S	S	.	.	H	α-helix	trans	-65.8	-42.8	177.8	-166.9	-167.1	150.9	0	0	112.2	Q2765 R2766 L2767 A2772 K2773	Q2765-E2769 PolarHBondContact O-N 3.38Å; R2766-E2769 PolarHBondContact O-N 3.12Å; L2767-E2769 VanDerWaalsContact C-N 3.33Å; L2767-E2769 PolarHBondContact O-N 3.42Å; E2769-A2772 PolarHBondContact O-N 3.24Å; E2769-K2773 HydrophobicContact CG-CD 4.43Å; E2769-K2773 WeakPolarHBondContact O-CB 3.36Å; E2769-K2773 WeakPolarHBondContact O-CG 3.28Å; E2769-K2773 PolarHBondContact O-N 3.22Å; E2769-K2773 VanDerWaalsContact OE1-CE 3.27Å; E2769-K2773 WeakPolarHBondContact OE1-CE 3.28Å; E2769-K2773 IonicContact OE1-NZ 2.64Å; E2769-K2773 PolarHBondContact OE1-NZ 3.2Å
2770	I	96.3	Very high	94.2	Very high	100 Å²	100	103.9 Å²	103.9	51%	0.513	50%	0.5	S	S	.	.	H	α-helix	trans	-62.1	-45.4	175.8	-69.3	164.5	0	0	0	110.5	R2766 L2767 A2772 K2773 Q2774	R2766-I2770 HydrophobicContact CG-CD1 4.21Å; R2766-I2770 WeakPolarHBondContact O-CD1 3.46Å; R2766-I2770 VanDerWaalsContact O-CG1 3.28Å; R2766-I2770 WeakPolarHBondContact O-CG1 3.4Å; R2766-I2770 PolarHBondContact O-N 3.17Å; L2767-I2770 PolarHBondContact O-N 3.1Å; I2770-A2772 PolarHBondContact O-N 3.05Å; I2770-K2773 PolarHBondContact O-N 3.05Å; I2770-Q2774 PolarHBondContact O-N 3.37Å
2771	L	96	Very high	94.6	Very high	97 Å²	97	104.9 Å²	104.9	51%	0.508	50%	0.5	S	S	.	.	H	α-helix	trans	-63.7	-42.1	177.3	-175.3	62.5	0	0	0	111.6	L2767 K2768 K2773 Q2774 V2775	L2767-L2771 WeakPolarHBondContact O-CB 3.02Å; L2767-L2771 PolarHBondContact O-N 3.11Å; K2768-L2771 PolarHBondContact O-N 3.05Å; L2771-K2773 PolarHBondContact O-N 2.94Å; L2771-Q2774 PolarHBondContact O-N 3.08Å; L2771-V2775 WeakPolarHBondContact O-CG2 3.25Å; L2771-V2775 PolarHBondContact O-N 3.14Å
2772	A	96.2	Very high	94.9	Very high	59.5 Å²	59.5	108.1 Å²	108.1	49%	0.492	52%	0.515	S	S	.	.	H	α-helix	trans	-61.5	-42.6	175.6	0	0	0	0	0	112	K2768 E2769 I2770 V2775 H2776	K2768-A2772 WeakPolarHBondContact O-CB 3.44Å; K2768-A2772 PolarHBondContact O-N 3.15Å; E2769-A2772 PolarHBondContact O-N 3.24Å; I2770-A2772 PolarHBondContact O-N 3.05Å; A2772-V2775 PolarHBondContact O-N 3.32Å; A2772-H2776 WeakPolarHBondContact O-CB 3.3Å; A2772-H2776 PolarHBondContact O-N 3.46Å
2773	K	96.6	Very high	95	Very high	132 Å²	132	109.9 Å²	109.9	57%	0.574	52%	0.52	S	S	*	.	H	α-helix	trans	-63	-40.1	174.5	-75.6	174.4	176.4	172.7	0	112	E2769 I2770 L2771 H2776 Q2777	E2769-K2773 HydrophobicContact CG-CD 4.43Å; E2769-K2773 WeakPolarHBondContact O-CB 3.36Å; E2769-K2773 WeakPolarHBondContact O-CG 3.28Å; E2769-K2773 PolarHBondContact O-N 3.22Å; E2769-K2773 VanDerWaalsContact OE1-CE 3.27Å; E2769-K2773 WeakPolarHBondContact OE1-CE 3.28Å; E2769-K2773 IonicContact OE1-NZ 2.64Å; E2769-K2773 PolarHBondContact OE1-NZ 3.2Å; I2770-K2773 PolarHBondContact O-N 3.05Å; L2771-K2773 PolarHBondContact O-N 2.94Å; K2773-H2776 PolarHBondContact O-N 2.98Å; K2773-Q2777 WeakPolarHBondContact O-CB 3.3Å; K2773-Q2777 PolarHBondContact O-N 3.36Å
2774	Q	94.7	Very high	95.2	Very high	98.5 Å²	98.5	110.2 Å²	110.2	46%	0.46	52%	0.521	S	S	.	.	H	α-helix	trans	-67.7	-40.8	177.4	-167.6	176.9	41.3	0	0	112.5	I2770 L2771 Q2777 R2778	I2770-Q2774 PolarHBondContact O-N 3.37Å; L2771-Q2774 PolarHBondContact O-N 3.08Å; Q2774-Q2777 PolarHBondContact O-N 3.06Å; Q2774-R2778 PolarHBondContact O-N 2.94Å; Q2774-R2778 VanDerWaalsContact O-N 3.1Å
2775	V	97	Very high	95.4	Very high	91.5 Å²	91.5	107.6 Å²	107.6	56%	0.555	52%	0.515	S	S	*	.	H	α-helix	trans	-63.9	-43.8	174.4	171.6	0	0	0	0	110.9	L2771 A2772 Q2777 R2778 Q2779	L2771-V2775 WeakPolarHBondContact O-CG2 3.25Å; L2771-V2775 PolarHBondContact O-N 3.14Å; A2772-V2775 PolarHBondContact O-N 3.32Å; V2775-Q2777 PolarHBondContact O-N 2.99Å; V2775-R2778 PolarHBondContact O-N 3.06Å; V2775-Q2779 PolarHBondContact O-N 3.05Å
2776	H	96.6	Very high	95.3	Very high	115.5 Å²	115.5	107.9 Å²	107.9	54%	0.535	52%	0.516	S	S	.	.	H	α-helix	trans	-62.8	-42.6	176.6	-173.7	64.1	0	0	0	112.1	A2772 K2773 R2778 Q2779 V2780	A2772-H2776 WeakPolarHBondContact O-CB 3.3Å; A2772-H2776 PolarHBondContact O-N 3.46Å; K2773-H2776 PolarHBondContact O-N 2.98Å; H2776-R2778 VanDerWaalsContact C-N 3.35Å; H2776-R2778 PolarHBondContact O-N 3.13Å; H2776-Q2779 WeakPolarHBondContact O-CB 3.28Å; H2776-Q2779 PolarHBondContact O-N 3.13Å; H2776-Q2779 VanDerWaalsContact O-N 3.13Å; H2776-V2780 WeakPolarHBondContact O-CG2 3.28Å; H2776-V2780 PolarHBondContact O-N 3.3Å
2777	Q	96	Very high	95.3	Very high	117 Å²	117	106 Å²	106	55%	0.547	52%	0.515	S	S	.	.	H	α-helix	trans	-58.9	-44.3	175.2	-175.9	-179.4	71.4	0	0	112	K2773 Q2774 V2775 Q2779 V2780 Q2781	K2773-Q2777 WeakPolarHBondContact O-CB 3.3Å; K2773-Q2777 PolarHBondContact O-N 3.36Å; Q2774-Q2777 PolarHBondContact O-N 3.06Å; V2775-Q2777 PolarHBondContact O-N 2.99Å; Q2777-Q2779 VanDerWaalsContact C-N 3.34Å; Q2777-Q2779 PolarHBondContact O-N 3.31Å; Q2777-V2780 PolarHBondContact O-N 3.12Å; Q2777-Q2781 WeakPolarHBondContact O-CG 3.3Å; Q2777-Q2781 PolarHBondContact O-N 3.11Å
2778	R	95.3	Very high	95.3	Very high	119.5 Å²	119.5	105.5 Å²	105.5	45%	0.451	51%	0.512	S	S	.	.	H	α-helix	trans	-64.5	-36.1	174.8	-74.3	-123.7	-67.7	-151.5	1.2	112.6	T1819 Q2774 V2775 H2776 Q2781 H2782	T1819-R2778 PolarHBondContact OG1-NH1 3.11Å; Q2774-R2778 PolarHBondContact O-N 2.94Å; Q2774-R2778 VanDerWaalsContact O-N 3.1Å; V2775-R2778 PolarHBondContact O-N 3.06Å; H2776-R2778 VanDerWaalsContact C-N 3.35Å; H2776-R2778 PolarHBondContact O-N 3.13Å; R2778-Q2781 PolarHBondContact O-N 2.95Å; R2778-H2782 WeakPolarHBondContact O-CB 3.43Å; R2778-H2782 PolarHBondContact O-N 3.17Å
2779	Q	95.4	Very high	95.2	Very high	94.5 Å²	94.5	103.9 Å²	103.9	44%	0.442	51%	0.508	S	S	.	.	H	α-helix	trans	-64.8	-42.4	176.1	-169.9	178.8	28.1	0	0	111.8	V2775 H2776 Q2777 H2782 Q2783	V2775-Q2779 PolarHBondContact O-N 3.05Å; H2776-Q2779 WeakPolarHBondContact O-CB 3.28Å; H2776-Q2779 PolarHBondContact O-N 3.13Å; H2776-Q2779 VanDerWaalsContact O-N 3.13Å; Q2777-Q2779 VanDerWaalsContact C-N 3.34Å; Q2777-Q2779 PolarHBondContact O-N 3.31Å; Q2779-H2782 PolarHBondContact O-N 3.34Å; Q2779-Q2783 WeakPolarHBondContact O-CG 3.24Å; Q2779-Q2783 PolarHBondContact O-N 3.04Å
2780	V	95.7	Very high	95.1	Very high	78.5 Å²	78.5	105.6 Å²	105.6	48%	0.476	52%	0.516	S	S	.	.	H	α-helix	trans	-65.8	-42.6	176.1	173.9	0	0	0	0	111.3	H2776 Q2777 H2782 Q2783 H2784	H2776-V2780 WeakPolarHBondContact O-CG2 3.28Å; H2776-V2780 PolarHBondContact O-N 3.3Å; Q2777-V2780 PolarHBondContact O-N 3.12Å; V2780-H2782 VanDerWaalsContact C-N 3.33Å; V2780-H2782 PolarHBondContact O-N 3.23Å; V2780-Q2783 PolarHBondContact O-N 3.01Å; V2780-H2784 PolarHBondContact O-N 2.9Å
2781	Q	94	Very high	94.9	Very high	94 Å²	94	107.1 Å²	107.1	44%	0.439	52%	0.521	S	S	.	.	H	α-helix	trans	-61	-41	174.2	-75.2	-179.1	-16.8	0	0	112.3	Q2777 R2778 H2784 H2785	Q2777-Q2781 WeakPolarHBondContact O-CG 3.3Å; Q2777-Q2781 PolarHBondContact O-N 3.11Å; R2778-Q2781 PolarHBondContact O-N 2.95Å; Q2781-H2784 PolarHBondContact O-N 3.15Å; Q2781-H2785 WeakPolarHBondContact O-CB 3.33Å; Q2781-H2785 PolarHBondContact O-N 2.93Å
2782	H	94.7	Very high	94.8	Very high	117.5 Å²	117.5	108.3 Å²	108.3	54%	0.544	52%	0.524	S	S	.	.	H	α-helix	trans	-65.3	-40.5	177	-173.2	75.5	0	0	0	112.3	R2778 Q2779 V2780 H2785 Q2786	R2778-H2782 WeakPolarHBondContact O-CB 3.43Å; R2778-H2782 PolarHBondContact O-N 3.17Å; Q2779-H2782 PolarHBondContact O-N 3.34Å; V2780-H2782 VanDerWaalsContact C-N 3.33Å; V2780-H2782 PolarHBondContact O-N 3.23Å; H2782-H2785 PolarHBondContact O-N 3.07Å; H2782-Q2786 PolarHBondContact O-N 3.09Å
2783	Q	93.7	Very high	94.5	Very high	139 Å²	139	112.5 Å²	112.5	65%	0.65	53%	0.534	S	S	*	.	H	α-helix	trans	-60.8	-46.6	173.1	-75	-108.4	-31.7	0	0	111.8	Q2779 V2780 H2785 Q2786 Q2787	Q2779-Q2783 WeakPolarHBondContact O-CG 3.24Å; Q2779-Q2783 PolarHBondContact O-N 3.04Å; V2780-Q2783 PolarHBondContact O-N 3.01Å; Q2783-H2785 PolarHBondContact O-N 2.89Å; Q2783-Q2786 PolarHBondContact O-N 2.8Å; Q2783-Q2787 PolarHBondContact O-N 3.1Å
2784	H	95.4	Very high	94.2	Very high	124 Å²	124	111.2 Å²	111.2	57%	0.574	53%	0.532	S	S	*	.	H	α-helix	trans	-62.3	-42.9	178.2	-175.8	-95.2	0	0	0	112.2	V2780 Q2781 Q2786 Q2787 L2788	V2780-H2784 PolarHBondContact O-N 2.9Å; Q2781-H2784 PolarHBondContact O-N 3.15Å; H2784-Q2786 VanDerWaalsContact C-N 3.34Å; H2784-Q2786 PolarHBondContact O-N 3.26Å; H2784-Q2787 PolarHBondContact O-N 3.26Å; H2784-L2788 PolarHBondContact O-N 2.95Å
2785	H	95.8	Very high	94	Very high	79 Å²	79	112.5 Å²	112.5	37%	0.366	54%	0.538	S	S	.	.	H	α-helix	trans	-62.3	-39.5	175.5	-178	78.6	0	0	0	112.2	Q2781 H2782 Q2783 L2788 L2789	Q2781-H2785 WeakPolarHBondContact O-CB 3.33Å; Q2781-H2785 PolarHBondContact O-N 2.93Å; H2782-H2785 PolarHBondContact O-N 3.07Å; Q2783-H2785 PolarHBondContact O-N 2.89Å; H2785-L2788 PolarHBondContact O-N 3.16Å; H2785-L2789 WeakPolarHBondContact NE2-CD1 3.19Å; H2785-L2789 PolarHBondContact O-N 3.31Å; H2785-L2789 VanDerWaalsContact O-N 3.08Å
2786	Q	93.6	Very high	93.6	Very high	117.5 Å²	117.5	112.8 Å²	112.8	55%	0.549	54%	0.536	S	S	.	.	H	α-helix	trans	-67.5	-36.1	176.9	-145.1	-170	107.8	0	0	112.4	H2782 Q2783 H2784 L2789 Q2790	H2782-Q2786 PolarHBondContact O-N 3.09Å; Q2783-Q2786 PolarHBondContact O-N 2.8Å; H2784-Q2786 VanDerWaalsContact C-N 3.34Å; H2784-Q2786 PolarHBondContact O-N 3.26Å; Q2786-L2789 PolarHBondContact O-N 3.32Å; Q2786-Q2790 PolarHBondContact O-N 2.97Å; Q2786-Q2790 VanDerWaalsContact O-N 3.08Å
2787	Q	93.9	Very high	93.1	Very high	131.5 Å²	131.5	110.1 Å²	110.1	61%	0.614	53%	0.534	S	S	*	.	H	α-helix	trans	-66.1	-37.9	173.5	-172.6	172.7	69.2	0	0	112	Q2783 H2784 Q2790 Q2791	Q2783-Q2787 PolarHBondContact O-N 3.1Å; H2784-Q2787 PolarHBondContact O-N 3.26Å; Q2787-Q2790 PolarHBondContact O-N 3.3Å; Q2787-Q2791 PolarHBondContact O-N 3.2Å
2788	L	94.9	Very high	92.7	Very high	93.5 Å²	93.5	109.5 Å²	109.5	49%	0.49	53%	0.531	S	S	.	.	H	α-helix	trans	-64.2	-43.5	175.3	-168.7	72.1	0	0	0	111.9	H2784 H2785 Q2790 Q2791 Q2792	H2784-L2788 PolarHBondContact O-N 2.95Å; H2785-L2788 PolarHBondContact O-N 3.16Å; L2788-Q2790 VanDerWaalsContact C-N 3.33Å; L2788-Q2790 PolarHBondContact O-N 3.39Å; L2788-Q2791 PolarHBondContact O-N 3.11Å; L2788-Q2792 PolarHBondContact O-N 3.31Å
2789	L	93.2	Very high	91.9	Very high	80.5 Å²	80.5	109.9 Å²	109.9	42%	0.421	54%	0.538	S	S	.	.	H	α-helix	trans	-59.2	-42.2	173.7	-81.2	159.6	0	0	0	112	H2785 Q2786 Q2792 Q2793	H2785-L2789 WeakPolarHBondContact NE2-CD1 3.19Å; H2785-L2789 PolarHBondContact O-N 3.31Å; H2785-L2789 VanDerWaalsContact O-N 3.08Å; Q2786-L2789 PolarHBondContact O-N 3.32Å; L2789-Q2792 PolarHBondContact O-N 3.16Å; L2789-Q2793 WeakPolarHBondContact O-CB 3.22Å; L2789-Q2793 PolarHBondContact O-N 3.17Å
2790	Q	92.9	Very high	90.9	Very high	138 Å²	138	111.9 Å²	111.9	65%	0.645	55%	0.548	S	S	*	.	H	α-helix	trans	-65.5	-39.8	176.7	-172.6	168.5	93.2	0	0	111.8	Q2786 Q2787 L2788 Q2793 L2794	Q2786-Q2790 PolarHBondContact O-N 2.97Å; Q2786-Q2790 VanDerWaalsContact O-N 3.08Å; Q2787-Q2790 PolarHBondContact O-N 3.3Å; L2788-Q2790 VanDerWaalsContact C-N 3.33Å; L2788-Q2790 PolarHBondContact O-N 3.39Å; Q2790-Q2793 PolarHBondContact O-N 3.49Å; Q2790-L2794 PolarHBondContact O-N 2.94Å; Q2790-L2794 VanDerWaalsContact O-N 3.1Å
2791	Q	92.6	Very high	89.7	Confident	131.5 Å²	131.5	114.2 Å²	114.2	61%	0.614	55%	0.553	S	S	*	*	H	α-helix	trans	-66.7	-41.1	176.3	-158	-166.9	111.6	0	0	111.9	Q2787 L2788 Q2793 L2794 H2795	Q2787-Q2791 PolarHBondContact O-N 3.2Å; L2788-Q2791 PolarHBondContact O-N 3.11Å; Q2791-Q2793 VanDerWaalsContact C-N 3.33Å; Q2791-Q2793 PolarHBondContact O-N 3.18Å; Q2791-L2794 PolarHBondContact O-N 3.02Å; Q2791-H2795 PolarHBondContact O-N 3.41Å
2792	Q	92.5	Very high	88.2	Confident	121.5 Å²	121.5	116.1 Å²	116.1	57%	0.568	56%	0.562	S	S	*	*	H	α-helix	trans	-59.7	-44.2	175	-174.4	-172.6	86.8	0	0	111.1	L2788 L2789 L2794 H2795 L2796	L2788-Q2792 PolarHBondContact O-N 3.31Å; L2789-Q2792 PolarHBondContact O-N 3.16Å; Q2792-L2794 VanDerWaalsContact C-N 3.32Å; Q2792-L2794 PolarHBondContact O-N 3.12Å; Q2792-H2795 WeakPolarHBondContact O-CB 3.19Å; Q2792-H2795 PolarHBondContact O-N 3.22Å; Q2792-H2795 VanDerWaalsContact O-N 3.13Å; Q2792-L2796 HydrophobicContact CG-CD1 4.01Å; Q2792-L2796 WeakPolarHBondContact O-CD1 3.42Å; Q2792-L2796 PolarHBondContact O-N 3.38Å
2793	Q	90.4	Very high	86.4	Confident	149 Å²	149	116.5 Å²	116.5	70%	0.696	56%	0.564	S	S	*	*	H	α-helix	trans	-63.4	-37.7	178.5	-145.2	172.6	105	0	0	112.2	L2789 Q2790 Q2791 H2795 L2796 A2797	L2789-Q2793 WeakPolarHBondContact O-CB 3.22Å; L2789-Q2793 PolarHBondContact O-N 3.17Å; Q2790-Q2793 PolarHBondContact O-N 3.49Å; Q2791-Q2793 VanDerWaalsContact C-N 3.33Å; Q2791-Q2793 PolarHBondContact O-N 3.18Å; Q2793-H2795 VanDerWaalsContact C-N 3.33Å; Q2793-L2796 PolarHBondContact O-N 3.03Å; Q2793-A2797 WeakPolarHBondContact O-CB 3.16Å; Q2793-A2797 PolarHBondContact O-N 2.8Å
2794	L	90.3	Very high	84.8	Confident	103 Å²	103	114.3 Å²	114.3	54%	0.539	56%	0.555	S	S	.	*	H	α-helix	trans	-69.6	-30.5	175	-139.1	158.8	0	0	0	112	Q2790 Q2791 Q2792 Q2798	Q2790-L2794 PolarHBondContact O-N 2.94Å; Q2790-L2794 VanDerWaalsContact O-N 3.1Å; Q2791-L2794 PolarHBondContact O-N 3.02Å; Q2792-L2794 VanDerWaalsContact C-N 3.32Å; Q2792-L2794 PolarHBondContact O-N 3.12Å; L2794-Q2798 HydrophobicContact CD2-CG 4.49Å; L2794-Q2798 WeakPolarHBondContact O-CG 3.41Å; L2794-Q2798 PolarHBondContact O-N 3.29Å; L2794-Q2798 PolarHBondContact O-NE2 3.03Å; L2794-Q2798 VanDerWaalsContact O-NE2 3.17Å
2795	H	90.1	Very high	82.7	Confident	126.5 Å²	126.5	114.7 Å²	114.7	59%	0.586	56%	0.559	S	S	*	*	H	α-helix	trans	-72.5	-42.6	174	-147.4	101.5	0	0	0	111.8	Q2791 Q2792 Q2793 A2797 Q2798 Q2799	Q2791-H2795 PolarHBondContact O-N 3.41Å; Q2792-H2795 WeakPolarHBondContact O-CB 3.19Å; Q2792-H2795 PolarHBondContact O-N 3.22Å; Q2792-H2795 VanDerWaalsContact O-N 3.13Å; Q2793-H2795 VanDerWaalsContact C-N 3.33Å; H2795-A2797 VanDerWaalsContact C-N 3.35Å; H2795-A2797 PolarHBondContact O-N 3.32Å; H2795-Q2798 PolarHBondContact O-N 3.16Å; H2795-Q2799 PolarHBondContact O-N 2.94Å
2796	L	89.2	Confident	80.8	Confident	97.5 Å²	97.5	114.6 Å²	114.6	51%	0.51	57%	0.568	S	S	.	*	H	α-helix	trans	-62.1	-42.3	173.4	-93.4	73	0	0	0	111.7	Q2792 Q2793 Q2798 Q2799 E2800	Q2792-L2796 HydrophobicContact CG-CD1 4.01Å; Q2792-L2796 WeakPolarHBondContact O-CD1 3.42Å; Q2792-L2796 PolarHBondContact O-N 3.38Å; Q2793-L2796 PolarHBondContact O-N 3.03Å; L2796-Q2798 VanDerWaalsContact C-N 3.31Å; L2796-Q2798 PolarHBondContact O-N 2.9Å; L2796-Q2799 PolarHBondContact O-N 3.15Å; L2796-E2800 PolarHBondContact O-N 2.75Å
2797	A	86.6	Confident	78.7	Confident	59.5 Å²	59.5	118.5 Å²	118.5	49%	0.492	58%	0.577	S	S	.	*	H	α-helix	trans	-62.3	-37.4	177.4	0	0	0	0	0	112.6	Q2793 H2795 Q2801	Q2793-A2797 WeakPolarHBondContact O-CB 3.16Å; Q2793-A2797 PolarHBondContact O-N 2.8Å; H2795-A2797 VanDerWaalsContact C-N 3.35Å; H2795-A2797 PolarHBondContact O-N 3.32Å; A2797-Q2801 WeakPolarHBondContact O-CB 3.45Å; A2797-Q2801 PolarHBondContact O-N 2.95Å; A2797-Q2801 VanDerWaalsContact O-N 3.11Å
2798	Q	86.3	Confident	76.5	Confident	105 Å²	105	119.5 Å²	119.5	49%	0.491	58%	0.582	S	S	.	*	H	α-helix	trans	-68.7	-42.7	173.3	-77.5	171.9	93.8	0	0	111.9	L2794 H2795 L2796 E2800 Q2801 E2802	L2794-Q2798 HydrophobicContact CD2-CG 4.49Å; L2794-Q2798 WeakPolarHBondContact O-CG 3.41Å; L2794-Q2798 PolarHBondContact O-N 3.29Å; L2794-Q2798 PolarHBondContact O-NE2 3.03Å; L2794-Q2798 VanDerWaalsContact O-NE2 3.17Å; H2795-Q2798 PolarHBondContact O-N 3.16Å; L2796-Q2798 VanDerWaalsContact C-N 3.31Å; L2796-Q2798 PolarHBondContact O-N 2.9Å; Q2798-E2800 VanDerWaalsContact C-N 3.32Å; Q2798-E2800 PolarHBondContact O-N 3.04Å; Q2798-Q2801 PolarHBondContact O-N 2.74Å; Q2798-Q2801 VanDerWaalsContact O-N 3.16Å; Q2798-E2802 PolarHBondContact O-N 2.7Å
2799	Q	79.5	Confident	73.9	Confident	127 Å²	127	119.4 Å²	119.4	59%	0.593	59%	0.588	S	S	*	*	H	α-helix	trans	-62	-39.8	176.8	-168.1	-179.3	25.7	0	0	111.7	H2795 L2796 Q2801 E2802 H2803	H2795-Q2799 PolarHBondContact O-N 2.94Å; L2796-Q2799 PolarHBondContact O-N 3.15Å; Q2799-Q2801 VanDerWaalsContact C-N 3.35Å; Q2799-E2802 PolarHBondContact O-N 3.17Å; Q2799-H2803 WeakPolarHBondContact O-CB 3.39Å; Q2799-H2803 PolarHBondContact O-N 2.72Å
2800	E	74.6	Confident	71.4	Confident	137 Å²	137	123 Å²	123	64%	0.64	61%	0.607	S	S	*	*	H	α-helix	trans	-63.6	-40.1	175	-160.6	178.3	127.2	0	0	111.1	L2796 Q2798 H2803 I2804	L2796-E2800 PolarHBondContact O-N 2.75Å; Q2798-E2800 VanDerWaalsContact C-N 3.32Å; Q2798-E2800 PolarHBondContact O-N 3.04Å; E2800-H2803 PolarHBondContact O-N 2.95Å; E2800-I2804 HydrophobicContact CG-CD1 4.27Å; E2800-I2804 VanDerWaalsContact O-CG1 3.28Å; E2800-I2804 WeakPolarHBondContact O-CG1 3.35Å; E2800-I2804 PolarHBondContact O-N 3.19Å
2801	Q	70.7	Confident	68.7	Low	126 Å²	126	120.9 Å²	120.9	59%	0.589	61%	0.608	S	S	*	*	H	α-helix	trans	-64.7	-41.6	175.9	-170.4	165	76.3	0	0	112.7	A2797 Q2798 Q2799 H2803 I2804 M2805	A2797-Q2801 WeakPolarHBondContact O-CB 3.45Å; A2797-Q2801 PolarHBondContact O-N 2.95Å; A2797-Q2801 VanDerWaalsContact O-N 3.11Å; Q2798-Q2801 PolarHBondContact O-N 2.74Å; Q2798-Q2801 VanDerWaalsContact O-N 3.16Å; Q2799-Q2801 VanDerWaalsContact C-N 3.35Å; Q2801-H2803 VanDerWaalsContact C-N 3.35Å; Q2801-I2804 PolarHBondContact O-N 2.73Å; Q2801-M2805 HydrophobicContact CG-SD 4.48Å; Q2801-M2805 WeakPolarHBondContact O-CG 3.29Å; Q2801-M2805 PolarHBondContact O-N 3.32Å
2802	E	62	Low	66.1	Low	135 Å²	135	123.6 Å²	123.6	63%	0.631	62%	0.62	S	S	*	*	H	α-helix	trans	-66.5	-34.2	173	-72.8	-155.8	122.2	0	0	112.6	Q2798 Q2799 M2805 S2806	Q2798-E2802 PolarHBondContact O-N 2.7Å; Q2799-E2802 PolarHBondContact O-N 3.17Å; E2802-M2805 PolarHBondContact O-N 3.35Å; E2802-S2806 WeakPolarHBondContact O-CB 2.95Å; E2802-S2806 PolarHBondContact O-N 2.86Å; E2802-S2806 PolarHBondContact O-OG 3.48Å
2803	H	57.5	Low	63.3	Low	126 Å²	126	122.8 Å²	122.8	58%	0.583	63%	0.628	S	S	*	*	H	α-helix	trans	-74	-29.8	177.6	-143.3	-137.8	0	0	0	112.1	Q2799 E2800 Q2801 R2807	Q2799-H2803 WeakPolarHBondContact O-CB 3.39Å; Q2799-H2803 PolarHBondContact O-N 2.72Å; E2800-H2803 PolarHBondContact O-N 2.95Å; Q2801-H2803 VanDerWaalsContact C-N 3.35Å; H2803-R2807 WeakPolarHBondContact O-CG 3.07Å; H2803-R2807 PolarHBondContact O-N 3.25Å
2804	I	58.2	Low	60.6	Low	91 Å²	91	122.3 Å²	122.3	47%	0.467	64%	0.635	S	S	.	*	H	α-helix	trans	-68.1	-49.5	167.9	-70.4	163.5	0	0	0	110.3	E2800 Q2801 S2806 R2807 H2808	E2800-I2804 HydrophobicContact CG-CD1 4.27Å; E2800-I2804 VanDerWaalsContact O-CG1 3.28Å; E2800-I2804 WeakPolarHBondContact O-CG1 3.35Å; E2800-I2804 PolarHBondContact O-N 3.19Å; Q2801-I2804 PolarHBondContact O-N 2.73Å; I2804-S2806 VanDerWaalsContact C-N 3.32Å; I2804-S2806 PolarHBondContact O-N 2.87Å; I2804-R2807 PolarHBondContact O-N 3.19Å; I2804-R2807 VanDerWaalsContact O-N 3.15Å; I2804-H2808 PolarHBondContact O-CD2 2.67Å
2805	M	53.2	Low	58.2	Low	134 Å²	134	123.4 Å²	123.4	66%	0.66	65%	0.651	S	S	*	*	H	α-helix	trans	-60.4	-41.9	178.5	-74.5	175.4	60.9	0	0	112.1	Q2801 E2802 R2807 H2808	Q2801-M2805 HydrophobicContact CG-SD 4.48Å; Q2801-M2805 WeakPolarHBondContact O-CG 3.29Å; Q2801-M2805 PolarHBondContact O-N 3.32Å; E2802-M2805 PolarHBondContact O-N 3.35Å; M2805-R2807 PolarHBondContact O-N 2.79Å; M2805-H2808 PolarHBondContact O-N 3.1Å
2806	S	54.5	Low	55.5	Low	77 Å²	77	121.3 Å²	121.3	54%	0.538	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.9	-13.6	179.5	-60.3	0	0	0	0	113.9	E2802 I2804 S2809	E2802-S2806 WeakPolarHBondContact O-CB 2.95Å; E2802-S2806 PolarHBondContact O-N 2.86Å; E2802-S2806 PolarHBondContact O-OG 3.48Å; I2804-S2806 VanDerWaalsContact C-N 3.32Å; I2804-S2806 PolarHBondContact O-N 2.87Å; S2806-S2809 PolarHBondContact O-OG 3.31Å
2807	R	49	Very low	53.1	Low	199 Å²	199	126.2 Å²	126.2	75%	0.751	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-7.5	173.9	-80.2	-176.7	167.6	-136.9	-5.5	114.4	H2803 I2804 M2805	H2803-R2807 WeakPolarHBondContact O-CG 3.07Å; H2803-R2807 PolarHBondContact O-N 3.25Å; I2804-R2807 PolarHBondContact O-N 3.19Å; I2804-R2807 VanDerWaalsContact O-N 3.15Å; M2805-R2807 PolarHBondContact O-N 2.79Å
2808	H	47.9	Very low	50.8	Low	153 Å²	153	132.7 Å²	132.7	71%	0.708	71%	0.705	S	S	*	*	S	Bend	trans	-96.3	2.9	-178.9	-84.9	-68.7	0	0	0	115.2	I2804 M2805	I2804-H2808 PolarHBondContact O-CD2 2.67Å; M2805-H2808 PolarHBondContact O-N 3.1Å
2809	S	41.7	Very low	48.3	Very low	90 Å²	90	131 Å²	131	63%	0.629	72%	0.716	S	S	*	*	S	Bend	trans	-97.1	-3.2	-177.3	52.2	0	0	0	0	115.8	S2806	S2806-S2809 PolarHBondContact O-OG 3.31Å
2810	L	40.2	Very low	46.4	Very low	157 Å²	157	129.9 Å²	129.9	82%	0.822	72%	0.722	S	S	*	*	S	Bend	trans	-123	62.7	-179.5	-72.9	99.5	0	0	0	113.7
2811	S	36.8	Very low	44.6	Very low	93 Å²	93	128.8 Å²	128.8	65%	0.65	73%	0.73	S	S	*	*	S	Bend	trans	-154.6	137.5	160.5	68.3	0	0	0	0	113.3
2812	Q	36.3	Very low	42.8	Very low	189 Å²	189	127.7 Å²	127.7	88%	0.883	74%	0.736	S	S	*	*			trans	69.9	78.9	164.8	-58.9	-176.3	55	0	0	117.9
2813	S	33.7	Very low	41.6	Very low	105 Å²	105	127.4 Å²	127.4	73%	0.734	75%	0.749	S	S	*	*			trans	-73.7	176.3	141.5	52.8	0	0	0	0	111.8
2814	T	35.3	Very low	40.9	Very low	137 Å²	137	125.2 Å²	125.2	84%	0.84	76%	0.76	S	S	*	*			trans	72.1	86.7	167.2	68.5	0	0	0	0	119.7
2815	S	38.4	Very low	39.7	Very low	126 Å²	126	128.5 Å²	128.5	88%	0.881	78%	0.778	S	S	*	*				-149.8	139.1	122.6	57.9	0	0	0	0	108.8
2816	G	34	Very low	38.7	Very low	84 Å²	84	126.7 Å²	126.7	87%	0.866	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-91.3	146.7	-159.4	0	0	0	0	0	116.4
2817	Q	38	Very low	37.6	Very low	200 Å²	200	132.8 Å²	132.8	94%	0.935	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-85.4	132.1	161.3	-74.4	-174.3	-11.2	0	0	110.6
2818	Q	38.2	Very low	37	Very low	196 Å²	196	128.2 Å²	128.2	92%	0.916	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-79.3	162.8	149.5	-63.9	179.5	-10.1	0	0	108.5
2819	G	35.5	Very low	36.4	Very low	70 Å²	70	125.8 Å²	125.8	72%	0.722	78%	0.781	S	S	*	*			trans	147.3	20.9	166.8	0	0	0	0	0	119.7
2820	S	38.1	Very low	36.3	Very low	102 Å²	102	128.9 Å²	128.9	71%	0.713	79%	0.788	S	S	*	*			trans	36.8	114.9	148.1	59.2	0	0	0	0	120.7
2821	S	37	Very low	36.1	Very low	115 Å²	115	127 Å²	127	80%	0.804	78%	0.779	S	S	*	*			trans	72.8	143.4	138.3	-43.8	0	0	0	0	117.7
2822	S	34.1	Very low	36.1	Very low	103 Å²	103	130.1 Å²	130.1	72%	0.72	78%	0.783	S	S	*	*			cis	-159.7	158.3	33	-47.6	0	0	0	0	113.4
2823	S	36.6	Very low	36.3	Very low	128 Å²	128	125.6 Å²	125.6	90%	0.895	77%	0.772	S	S	*	*			trans	57	119.3	147.1	-55.4	0	0	0	0	120.9
2824	G	43	Very low	36.4	Very low	80 Å²	80	124.9 Å²	124.9	83%	0.825	77%	0.767	S	S	*	*			trans	170.4	49.8	170.8	0	0	0	0	0	114
2825	L	32.3	Very low	36.6	Very low	161 Å²	161	123.2 Å²	123.2	84%	0.843	76%	0.761	S	S	*	*			trans	-81.2	129.2	-166.8	-71	172.5	0	0	0	114.4
2826	V	32.6	Very low	36.5	Very low	95 Å²	95	123.7 Å²	123.7	58%	0.576	75%	0.754	S	S	*	*				57.4	127.4	128.3	-174	0	0	0	0	118.4
2827	Y	31.1	Very low	36.5	Very low	205 Å²	205	126.9 Å²	126.9	80%	0.804	75%	0.75	S	S	*	*				-173.5	117.7	110.5	-105.2	-81.5	0	0	0	111.9
2828	T	36	Very low	36.5	Very low	103 Å²	103	122.7 Å²	122.7	63%	0.632	74%	0.738	S	S	*	*			trans	23	152.6	138.8	73.4	0	0	0	0	121.1
2829	S	35.2	Very low	36.3	Very low	102 Å²	102	121.1 Å²	121.1	71%	0.713	73%	0.73	S	S	*	*				160.2	163.4	82.7	-95.9	0	0	0	0	107.5
2830	M	39.9	Very low	36.3	Very low	156 Å²	156	125.2 Å²	125.2	77%	0.768	73%	0.73	S	S	*	*			cis	-165	166.5	-6.4	-101.5	-127.4	-74.9	0	0	105.9
2831	N	35.7	Very low	36.1	Very low	118 Å²	118	128.6 Å²	128.6	63%	0.631	74%	0.735	S	S	*	*			cis	178.2	171.7	-21.2	-177.6	17	0	0	0	107.8
2832	Q	38.2	Very low	36.4	Very low	157 Å²	157	127.9 Å²	127.9	73%	0.734	73%	0.728	S	S	*	*			trans	76.3	144.2	160.9	-50.9	-170	111	0	0	117.4
2833	S	40.4	Very low	36.2	Very low	94 Å²	94	128.7 Å²	128.7	66%	0.657	72%	0.724	S	S	*	*			cis	-173.8	165.9	-11.1	-99.9	0	0	0	0	109.4
2834	S	34.9	Very low	36	Very low	90 Å²	90	130.5 Å²	130.5	63%	0.629	72%	0.718	S	S	*	*			cis	-175.4	167.1	-19.9	-91	0	0	0	0	109
2835	S	39.3	Very low	35.6	Very low	102 Å²	102	131.9 Å²	131.9	71%	0.713	72%	0.715	S	S	*	*			trans	66.4	152	152.7	40.3	0	0	0	0	119.8
2836	N	35.9	Very low	35.7	Very low	136 Å²	136	132.1 Å²	132.1	73%	0.727	71%	0.712	S	S	*	*			cis	-159.2	146.3	-8.5	-105.3	-10.8	0	0	0	110.1
2837	L	34.2	Very low	35.7	Very low	152 Å²	152	131.4 Å²	131.4	80%	0.796	71%	0.71	S	S	*	*				59.9	135.8	100.3	-113.6	73.2	0	0	0	114.4
2838	V	38	Very low	35.9	Very low	111 Å²	111	129.4 Å²	129.4	67%	0.673	71%	0.708	S	S	*	*			cis	-160.6	136.9	36.7	174.4	0	0	0	0	107.2
2839	H	33.7	Very low	36.1	Very low	164 Å²	164	128.9 Å²	128.9	76%	0.759	71%	0.707	S	S	*	*				86.3	135.2	59.9	-149.3	73.3	0	0	0	117.4
2840	Q	35.5	Very low	36	Very low	155 Å²	155	134.5 Å²	134.5	72%	0.724	71%	0.714	S	S	*	*			trans	99.1	114.7	171.2	-59.3	157.9	112.5	0	0	117.3
2841	Q	34.5	Very low	35.9	Very low	174 Å²	174	131.4 Å²	131.4	81%	0.813	71%	0.712	S	S	*	*				70.7	150.5	64.1	-82.4	-159	-7.5	0	0	115.9
2842	P	42.5	Very low	35.6	Very low	100 Å²	100	131.6 Å²	131.6	65%	0.649	71%	0.713	S	S	*	*			cis	-141.5	-155.8	-24.4	39.7	-19.4	0	0	0	113.8
2843	N	31.6	Very low	35.4	Very low	119 Å²	119	135.5 Å²	135.5	64%	0.636	72%	0.723	S	S	*	*			trans	93.9	107.8	149.9	-96.9	44.7	0	0	0	122.9
2844	E	31.4	Very low	35	Very low	166 Å²	166	134.5 Å²	134.5	78%	0.776	72%	0.716	S	S	*	*				50.7	128.2	114	-64.8	-176.7	158	0	0	119
2845	S	34.8	Very low	34.7	Very low	109 Å²	109	136.8 Å²	136.8	76%	0.762	72%	0.721	S	S	*	*			cis	-174.9	173.8	32.7	50.5	0	0	0	0	114.2
2846	H	34.5	Very low	34.3	Very low	167 Å²	167	137.2 Å²	137.2	77%	0.773	72%	0.72	S	S	*	*			trans	65.3	91.6	146	-120.3	67.4	0	0	0	121.6
2847	C	32.2	Very low	34.6	Very low	80 Å²	80	136.2 Å²	136.2	54%	0.541	72%	0.721	S	S	.	*				99.3	129.9	104.8	-90.4	0	0	0	0	124.7
2848	Q	34.6	Very low	34.3	Very low	162 Å²	162	137.5 Å²	137.5	76%	0.757	73%	0.725	S	S	*	*			trans	80	151.3	140.7	-66	-36.1	-45.5	0	0	119.5
2849	P	41.6	Very low	33.9	Very low	93 Å²	93	142.9 Å²	142.9	60%	0.604	73%	0.733	S	S	*	*			trans	-132.5	-171.2	-131.8	44	-28.1	0	0	0	113.7
2850	Y	32.3	Very low	33.6	Very low	220 Å²	220	141.8 Å²	141.8	86%	0.863	73%	0.728	S	S	*	*				-166.1	164.6	115.2	-120.2	-86.4	0	0	0	112.8
2851	A	37.3	Very low	33.3	Very low	90 Å²	90	140.8 Å²	140.8	74%	0.744	72%	0.724	S	S	*	*			trans	59.2	72.3	160.6	0	0	0	0	0	118.1
2852	N	31	Very low	33.1	Very low	122 Å²	122	141.2 Å²	141.2	65%	0.652	73%	0.726	S	S	*	*			trans	-50.8	152.4	151.2	-111.3	-57.9	0	0	0	112.7	S2854	N2852-S2854 PolarHBondContact OD1-OG 3.33Å
2853	Y	33.3	Very low	32.3	Very low	240 Å²	240	140.5 Å²	140.5	94%	0.941	73%	0.728	S	S	*	*				-161	80.3	114.4	-103.6	-63.1	0	0	0	112
2854	S	31.1	Very low	32.4	Very low	73 Å²	73	140.4 Å²	140.4	51%	0.51	74%	0.737	S	S	.	*			trans	-92.2	151.1	150.3	59.2	0	0	0	0	109	N2852	N2852-S2854 PolarHBondContact OD1-OG 3.33Å
2855	N	28.3	Very low	32.3	Very low	137 Å²	137	138.5 Å²	138.5	73%	0.733	74%	0.736	S	S	*	*				-167.3	153	118.9	-110.2	-62.7	0	0	0	117.7
2856	T	31.8	Very low	32.3	Very low	111 Å²	111	141.4 Å²	141.4	68%	0.681	74%	0.737	S	S	*	*			trans	-34.6	163.4	169	47.4	0	0	0	0	120.9
2857	P	43.3	Very low	32.4	Very low	116 Å²	116	139.9 Å²	139.9	75%	0.753	74%	0.735	S	S	*	*			trans	-85.2	156.2	155.4	37.3	-33.1	0	0	0	111.4
2858	M	27.6	Very low	33.1	Very low	179 Å²	179	140.7 Å²	140.7	88%	0.882	74%	0.739	S	S	*	*			trans	-175.9	175.3	152.9	-101.7	-94.9	-85.3	0	0	112.3
2859	W	28.9	Very low	33.1	Very low	224 Å²	224	141.9 Å²	141.9	85%	0.848	74%	0.738	S	S	*	*			trans	-76.1	165.4	178.9	-68.8	70.2	0	0	0	113.2
2860	Q	28.3	Very low	33	Very low	140 Å²	140	144.5 Å²	144.5	65%	0.654	74%	0.742	S	S	*	*				147.6	155	120.1	-152.3	63.6	12.1	0	0	113.4
2861	Q	28.4	Very low	32.9	Very low	134 Å²	134	138.6 Å²	138.6	63%	0.626	73%	0.733	S	S	*	*			trans	-38.8	144.1	-180	-58.1	147.9	-60.1	0	0	116.9
2862	H	29.5	Very low	32.7	Very low	184 Å²	184	140.5 Å²	140.5	85%	0.852	74%	0.735	S	S	*	*				178.8	176.9	104.5	-94.9	-73.9	0	0	0	111
2863	A	27.4	Very low	32.8	Very low	84 Å²	84	139 Å²	139	69%	0.694	73%	0.733	S	S	*	*			trans	-130.9	155.7	-158.4	0	0	0	0	0	115.9
2864	S	31.9	Very low	33	Very low	118 Å²	118	132.2 Å²	132.2	83%	0.825	72%	0.721	S	S	*	*			trans	69.5	159.4	166.1	-58.4	0	0	0	0	114.9
2865	V	30.9	Very low	33.1	Very low	126 Å²	126	136.5 Å²	136.5	76%	0.764	73%	0.733	S	S	*	*				-160.6	136.9	56.9	151.3	0	0	0	0	112.6
2866	H	33.7	Very low	33.3	Very low	170 Å²	170	135.3 Å²	135.3	79%	0.787	73%	0.727	S	S	*	*			trans	62.8	108.5	160.3	-81.3	-122.9	0	0	0	122.6
2867	D	36.2	Very low	33.4	Very low	135 Å²	135	137.7 Å²	137.7	72%	0.722	73%	0.73	S	S	*	*				42.4	153.9	95.5	-118.7	30	0	0	0	119.8
2868	P	48.1	Very low	33	Very low	96 Å²	96	135.2 Å²	135.2	62%	0.623	72%	0.72	S	S	*	*			cis	-146.6	176.6	35.4	34.5	-9	0	0	0	120.9
2869	Y	35.3	Very low	33.4	Very low	188 Å²	188	134.7 Å²	134.7	74%	0.737	72%	0.715	S	S	*	*			trans	100	71.3	163.7	-68.3	-78.9	0	0	0	121.2
2870	H	37.6	Very low	33.5	Very low	147 Å²	147	130.9 Å²	130.9	68%	0.681	71%	0.707	S	S	*	*				88.1	118.8	111.4	-95.9	-108	0	0	0	122.4
2871	S	30.9	Very low	33.8	Very low	97 Å²	97	130.6 Å²	130.6	68%	0.678	71%	0.705	S	S	*	*				77.7	139.9	125.2	-72.8	0	0	0	0	120.9
2872	V	33.2	Very low	34.1	Very low	130 Å²	130	132.3 Å²	132.3	79%	0.788	71%	0.713	S	S	*	*			cis	-136.4	132.1	-0.9	-171.3	0	0	0	0	112.6
2873	S	33	Very low	34.1	Very low	89 Å²	89	128 Å²	128	62%	0.622	70%	0.704	S	S	*	*			trans	-21.4	152.1	152.6	175.7	0	0	0	0	120.3
2874	S	36.9	Very low	34.3	Very low	98 Å²	98	130.9 Å²	130.9	69%	0.685	71%	0.705	S	S	*	*				166.9	113.7	114.8	-76.2	0	0	0	0	111.9
2875	Q	33.1	Very low	34.1	Very low	164 Å²	164	135 Å²	135	77%	0.766	70%	0.702	S	S	*	*				78.4	141.8	84.7	-85	-156.3	-15.1	0	0	114.3
2876	N	33.9	Very low	34.1	Very low	112 Å²	112	136.6 Å²	136.6	60%	0.599	70%	0.701	S	S	*	*			cis	-166.5	168.7	-18.1	-152.5	-14.1	0	0	0	109.6
2877	Q	34.4	Very low	34	Very low	161 Å²	161	133.3 Å²	133.3	75%	0.752	70%	0.703	S	S	*	*			trans	63.6	162	155.5	-72.4	168.5	53.6	0	0	119.2
2878	A	33.9	Very low	33.6	Very low	64 Å²	64	136.7 Å²	136.7	53%	0.529	71%	0.707	S	S	.	*			cis	-175	167.1	-37.8	0	0	0	0	0	108.1
2879	H	35.5	Very low	32.7	Very low	168 Å²	168	140.9 Å²	140.9	78%	0.778	72%	0.716	S	S	*	*			trans	69.8	153.3	167.3	-52.9	109.7	0	0	0	116
2880	Q	31.1	Very low	32.6	Very low	144 Å²	144	136.8 Å²	136.8	67%	0.673	72%	0.715	S	S	*	*			cis	-170.8	177.8	-29.2	-168.1	-172.5	85.9	0	0	105.3
2881	Q	34.8	Very low	32.2	Very low	133 Å²	133	137.2 Å²	137.2	62%	0.621	72%	0.717	S	S	*	*			trans	85.9	95	138.2	-148.3	170.5	104.9	0	0	117.6
2882	Q	34.1	Very low	32.2	Very low	170 Å²	170	141.3 Å²	141.3	79%	0.794	73%	0.725	S	S	*	*				71.8	159.4	128.5	-67.5	176.5	13.3	0	0	119.4
2883	S	31.1	Very low	32.4	Very low	94 Å²	94	141.5 Å²	141.5	66%	0.657	73%	0.727	S	S	*	*			cis	-162.5	146	-32.6	-164.6	0	0	0	0	110.2
2884	M	30.3	Very low	32.3	Very low	145 Å²	145	142.9 Å²	142.9	71%	0.714	74%	0.736	S	S	*	*			trans	35.3	129.9	142.1	-70.2	-72.5	-92.4	0	0	122.3
2885	R	29	Very low	32.3	Very low	203 Å²	203	142.7 Å²	142.7	77%	0.766	74%	0.741	S	S	*	*			trans	95	142	136.3	-79.5	-178.2	163.8	177.9	-2.1	121.7
2886	H	31	Very low	32.5	Very low	161 Å²	161	144.1 Å²	144.1	75%	0.745	75%	0.747	S	S	*	*			trans	-28.4	149.7	162.4	-24.4	-80.4	0	0	0	117
2887	A	30.3	Very low	32.4	Very low	101 Å²	101	147.9 Å²	147.9	84%	0.835	76%	0.761	S	S	*	*				-162.6	162.7	113.2	0	0	0	0	0	114
2888	Y	28	Very low	32.9	Very low	206 Å²	206	146.3 Å²	146.3	81%	0.808	77%	0.765	S	S	*	*			trans	-62	158	178.7	-85	-133.2	0	0	0	116.5
2889	F	29.2	Very low	33	Very low	184 Å²	184	147.4 Å²	147.4	81%	0.807	77%	0.774	S	S	*	*			trans	76.2	157.4	140.1	-96.1	-122.5	0	0	0	122.1
2890	S	32.5	Very low	33.2	Very low	101 Å²	101	147.5 Å²	147.5	71%	0.706	78%	0.777	S	S	*	*			trans	70.9	156.7	163.2	-65.7	0	0	0	0	118.7
2891	Q	30.9	Very low	33.4	Very low	157 Å²	157	149.1 Å²	149.1	73%	0.734	78%	0.782	S	S	*	*			cis	-176.9	109.6	-29.3	172.7	178.5	94	0	0	107.6
2892	Q	31	Very low	33.1	Very low	182 Å²	182	152.6 Å²	152.6	85%	0.85	79%	0.791	S	S	*	*			trans	58.7	-179.8	174.7	-60.2	171.7	-21.2	0	0	111.9
2893	V	36.3	Very low	33.2	Very low	135 Å²	135	152.2 Å²	152.2	82%	0.818	79%	0.789	S	S	*	*			cis	-136.6	166.3	14.2	176.8	0	0	0	0	109.2
2894	S	31.2	Very low	33.1	Very low	117 Å²	117	155.1 Å²	155.1	82%	0.818	79%	0.792	S	S	*	*			trans	-87.1	144.7	-174.7	-54.5	0	0	0	0	115.6
2895	A	37.4	Very low	33.4	Very low	95 Å²	95	153.3 Å²	153.3	79%	0.785	79%	0.794	S	S	*	*			trans	-152	97.3	155.9	0	0	0	0	0	109.8
2896	Q	36.2	Very low	33.6	Very low	193 Å²	193	151.8 Å²	151.8	90%	0.902	80%	0.795	S	S	*	*				72.8	108.2	101.2	-72.4	-161	10.3	0	0	116.6
2897	H	32.8	Very low	33.7	Very low	191 Å²	191	149.8 Å²	149.8	88%	0.884	79%	0.794	S	S	*	*			trans	-94.7	138.7	159.8	-79.8	-99.8	0	0	0	110.4
2898	P	44	Very low	33.7	Very low	128 Å²	128	155 Å²	155	83%	0.831	79%	0.793	S	S	*	*			trans	-87.2	144.3	156.3	34	-30.3	0	0	0	110.9
2899	A	37.4	Very low	34	Very low	87 Å²	87	150.7 Å²	150.7	72%	0.719	79%	0.79	S	S	*	*			trans	-134.8	130.5	177	0	0	0	0	0	111.3
2900	M	38.3	Very low	34.1	Very low	170 Å²	170	147.4 Å²	147.4	84%	0.837	78%	0.781	S	S	*	*			trans	-152.4	146	175.5	-61.3	-68.9	-67.8	0	0	109.5
2901	F	35.7	Very low	34.5	Very low	179 Å²	179	149 Å²	149	79%	0.785	79%	0.789	S	S	*	*			cis	-158.4	172.9	-31.2	-138.6	-90.9	0	0	0	107.9
2902	Y	29.2	Very low	34.5	Very low	205 Å²	205	148 Å²	148	80%	0.804	79%	0.793	S	S	*	*			trans	-82.3	140.8	-177.4	-86.6	-109.4	0	0	0	115
2903	Q	34.5	Very low	34.8	Very low	162 Å²	162	144.5 Å²	144.5	76%	0.757	79%	0.789	S	S	*	*			trans	-169.5	126.1	137.1	-135.3	77.1	78	0	0	107.2
2904	Q	30.7	Very low	35	Very low	155 Å²	155	144.3 Å²	144.3	72%	0.724	79%	0.79	S	S	*	*			cis	86.1	78.2	28.5	-162	-168.1	24.1	0	0	115.4
2905	S	35	Very low	35.1	Very low	108 Å²	108	143.4 Å²	143.4	76%	0.755	78%	0.784	S	S	*	*			trans	167.5	160.7	154.6	41.3	0	0	0	0	109.6
2906	Q	33.4	Very low	35.1	Very low	171 Å²	171	140.4 Å²	140.4	80%	0.799	76%	0.762	S	S	*	*			cis	-153.9	156	-29.4	-106.3	-173.9	53	0	0	108.2
2907	T	33.6	Very low	35.1	Very low	118 Å²	118	133.6 Å²	133.6	72%	0.724	74%	0.735	S	S	*	*			trans	38.2	118.4	154.5	57.6	0	0	0	0	122.9
2908	R	30.7	Very low	35.3	Very low	212 Å²	212	132.2 Å²	132.2	80%	0.8	72%	0.722	S	S	*	*				36	127.7	117	-165.6	174.5	-172	-130.7	-6.8	118.2	D2910	R2908-D2910 IonicContact NH2-OD2 3.79Å
2909	P	34.4	Very low	34.9	Very low	115 Å²	115	132.2 Å²	132.2	75%	0.747	71%	0.714	S	S	*	*				-148.1	178.5	60.7	41.9	-22.4	0	0	0	118.8
2910	D	30.3	Very low	34.7	Very low	115 Å²	115	135.3 Å²	135.3	62%	0.615	72%	0.718	S	S	*	*			trans	-70.4	138	177.5	-45.8	-92.9	0	0	0	113.2	R2908 V2912	R2908-D2910 IonicContact NH2-OD2 3.79Å; D2910-V2912 PolarHBondContact O-N 3.3Å
2911	P	40.7	Very low	34.5	Very low	135 Å²	135	132.5 Å²	132.5	88%	0.877	71%	0.71	S	S	*	*			trans	-80.9	106.1	175.1	31	-32.7	0	0	0	112.2
2912	V	32.1	Very low	34.5	Very low	135 Å²	135	128.5 Å²	128.5	82%	0.818	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-74.8	152.1	171.2	-179.5	0	0	0	0	110.8	D2910	D2910-V2912 PolarHBondContact O-N 3.3Å
2913	S	36	Very low	34.8	Very low	109 Å²	109	124.5 Å²	124.5	76%	0.762	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-62.8	143.5	-178.2	-47.1	0	0	0	0	114.3
2914	P	40.7	Very low	34.8	Very low	131 Å²	131	122.8 Å²	122.8	85%	0.851	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-87.5	141.8	163.1	34.1	-31.3	0	0	0	111.6
2915	S	34	Very low	35.1	Very low	98 Å²	98	121.2 Å²	121.2	69%	0.685	71%	0.708	S	S	*	*			trans	-134.5	137.6	168.8	-175.8	0	0	0	0	109.1
2916	G	37.5	Very low	35.2	Very low	31 Å²	31	118.9 Å²	118.9	32%	0.32	70%	0.702	S	S	.	*			trans	-177.7	139.2	-177.5	0	0	0	0	0	115.6
2917	S	35.4	Very low	35.4	Very low	50 Å²	50	118.8 Å²	118.8	35%	0.35	71%	0.705	S	S	.	*			trans	-141.9	162.1	178.5	65.9	0	0	0	0	113
2918	R	36.8	Very low	35.7	Very low	162 Å²	162	118.8 Å²	118.8	61%	0.611	71%	0.707	S	S	*	*			trans	-167.7	112.6	160.9	-111.2	-172	-80	-125.9	7.8	105.2
2919	I	35.9	Very low	35.8	Very low	129 Å²	129	113.2 Å²	113.2	66%	0.662	70%	0.7	S	S	*	*				48.2	125.9	59.3	-21.8	166.2	0	0	0	110.3
2920	L	33.4	Very low	35.8	Very low	151 Å²	151	115.8 Å²	115.8	79%	0.791	70%	0.704	S	S	*	*			cis	-135.6	-168.2	25.1	-64.8	145.9	0	0	0	111.3
2921	T	35.4	Very low	36	Very low	111 Å²	111	115.3 Å²	115.3	68%	0.681	71%	0.71	S	S	*	*			cis	-162.1	152.1	13	-21.1	0	0	0	0	112.2
2922	S	34.2	Very low	36.2	Very low	95 Å²	95	113.8 Å²	113.8	66%	0.664	70%	0.7	S	S	*	*			trans	28.6	155.1	142.4	67.3	0	0	0	0	123.3
2923	V	36	Very low	36.4	Very low	122 Å²	122	116.4 Å²	116.4	74%	0.739	70%	0.703	S	S	*	*			cis	-151.7	142.8	30	-98.6	0	0	0	0	109.7
2924	T	34.4	Very low	36.5	Very low	125 Å²	125	115.5 Å²	115.5	77%	0.767	70%	0.702	S	S	*	*				75	133.4	71.5	-48.2	0	0	0	0	113.9
2925	S	37.8	Very low	36.7	Very low	122 Å²	122	115.7 Å²	115.7	85%	0.853	70%	0.703	S	S	*	*			cis	-105.1	-144.6	7.9	-55.3	0	0	0	0	113.2
2926	G	36.8	Very low	36.9	Very low	60 Å²	60	114.2 Å²	114.2	62%	0.619	70%	0.704	S	S	*	*			cis	175	155.9	-1.9	0	0	0	0	0	109.1
2927	I	37.8	Very low	37.1	Very low	168 Å²	168	120.2 Å²	120.2	86%	0.862	72%	0.724	S	S	*	*			cis	80.3	127.3	18.4	-53.6	176.1	0	0	0	112.6
2928	P	39.2	Very low	37.2	Very low	119 Å²	119	125.3 Å²	125.3	77%	0.773	74%	0.739	S	S	*	*			cis	-109.3	160.4	28	7.8	17.2	0	0	0	116.1
2929	S	32.7	Very low	37.3	Very low	95 Å²	95	124.3 Å²	124.3	66%	0.664	75%	0.745	S	S	*	*				92.4	141.6	54.2	-146.4	0	0	0	0	112.6
2930	M	35.4	Very low	37.4	Very low	168 Å²	168	122.3 Å²	122.3	83%	0.828	74%	0.743	S	S	*	*			cis	-143.9	178.9	39.9	-67.1	-71.9	-21.6	0	0	115.4
2931	S	34.4	Very low	37.5	Very low	105 Å²	105	121.5 Å²	121.5	73%	0.734	74%	0.744	S	S	*	*			trans	-94.9	-161.1	175.1	-138.5	0	0	0	0	111.6
2932	P	43.9	Very low	37.7	Very low	104 Å²	104	121 Å²	121	68%	0.675	75%	0.751	S	S	*	*			cis	-153.5	165.1	27.7	42.2	-18.4	0	0	0	122.9
2933	H	37.4	Very low	37.6	Very low	190 Å²	190	124 Å²	124	88%	0.88	76%	0.759	S	S	*	*			trans	67.3	162	139.6	-69.1	-46.1	0	0	0	126.4
2934	A	36.5	Very low	37.9	Very low	90 Å²	90	123.7 Å²	123.7	74%	0.744	76%	0.76	S	S	*	*			trans	-149.3	173.2	-171.3	0	0	0	0	0	112.5
2935	P	45.1	Very low	38.5	Very low	134 Å²	134	123.4 Å²	123.4	87%	0.87	76%	0.761	S	S	*	*				-144.6	-178.4	129.1	37.6	-22	0	0	0	112.9
2936	G	39.4	Very low	38.5	Very low	67 Å²	67	123.8 Å²	123.8	69%	0.691	76%	0.758	S	S	*	*			cis	147.1	156.4	-10	0	0	0	0	0	114.2
2937	Q	40.6	Very low	38.4	Very low	158 Å²	158	129.4 Å²	129.4	74%	0.738	77%	0.768	S	S	*	*			trans	74.5	153.2	166.7	-49.8	-63.6	19.4	0	0	118.3
2938	F	37.8	Very low	38.3	Very low	156 Å²	156	124.6 Å²	124.6	68%	0.684	76%	0.76	S	S	*	*			cis	-157.6	148.2	4	-101.7	-40.2	0	0	0	113
2939	I	39.1	Very low	38.2	Very low	142 Å²	142	125.4 Å²	125.4	73%	0.728	76%	0.757	S	S	*	*			trans	62.8	144.3	135.7	-65.9	169.2	0	0	0	121.5
2940	S	38.2	Very low	38.4	Very low	87 Å²	87	130.3 Å²	130.3	61%	0.608	76%	0.763	S	S	*	*			cis	-173	151.7	-20	-90.3	0	0	0	0	115.3
2941	T	35.7	Very low	38.6	Very low	133 Å²	133	128.5 Å²	128.5	82%	0.816	76%	0.761	S	S	*	*			trans	54.2	134.1	140.9	59.1	0	0	0	0	125.1
2942	A	38.6	Very low	38.7	Very low	100 Å²	100	127.1 Å²	127.1	83%	0.826	76%	0.763	S	S	*	*				164.9	121.1	106.4	0	0	0	0	0	116
2943	N	33.5	Very low	38.4	Very low	158 Å²	158	127.4 Å²	127.4	85%	0.845	77%	0.774	S	S	*	*			trans	-70.1	-166.3	165.5	-70.7	-38.2	0	0	0	113.4
2944	P	42.4	Very low	38.4	Very low	117 Å²	117	126.2 Å²	126.2	76%	0.76	77%	0.77	S	S	*	*			cis	-131.3	-173.7	-22	19.7	5.9	0	0	0	113.7
2945	P	46.6	Very low	38.1	Very low	119 Å²	119	128 Å²	128	77%	0.773	77%	0.766	S	S	*	*			trans	-105.4	165.7	173.6	39.7	-33.9	0	0	0	115.2
2946	T	38.3	Very low	37.7	Very low	129 Å²	129	127.8 Å²	127.8	79%	0.791	76%	0.763	S	S	*	*			trans	-158.5	140.9	160.4	-18.5	0	0	0	0	115.6
2947	Q	32.9	Very low	37.4	Very low	179 Å²	179	129.6 Å²	129.6	84%	0.836	77%	0.765	S	S	*	*			trans	8.3	145.6	159.8	-71.8	171	-110.7	0	0	125.2
2948	G	37	Very low	37.1	Very low	67 Å²	67	128.5 Å²	128.5	69%	0.691	77%	0.769	S	S	*	*			trans	125.3	137.5	136.4	0	0	0	0	0	116
2949	D	37	Very low	37	Very low	135 Å²	135	126.8 Å²	126.8	72%	0.722	77%	0.773	S	S	*	*			cis	-166.1	-179.4	-17.6	-110.3	-44.1	0	0	0	110.3
2950	Y	36.4	Very low	36.7	Very low	199 Å²	199	130.1 Å²	130.1	78%	0.78	78%	0.782	S	S	*	*			trans	70	94.2	163.1	-69.7	-70.4	0	0	0	122.3
2951	T	40	Very low	36.4	Very low	130 Å²	130	130.4 Å²	130.4	80%	0.798	79%	0.79	S	S	*	*				38.7	142.7	118.7	63.1	0	0	0	0	123
2952	G	35.9	Very low	36.3	Very low	75 Å²	75	130.9 Å²	130.9	77%	0.773	79%	0.793	S	S	*	*			trans	172.5	75.8	151.2	0	0	0	0	0	121.4
2953	A	36.9	Very low	36	Very low	110 Å²	110	134.7 Å²	134.7	91%	0.909	79%	0.786	S	S	*	*			trans	61.1	-176.5	152.5	0	0	0	0	0	120
2954	Q	38.1	Very low	36.1	Very low	166 Å²	166	135.7 Å²	135.7	78%	0.776	79%	0.79	S	S	*	*			trans	-137.4	167.1	-165.6	-58.9	-176.9	-9.2	0	0	113.2
2955	N	30.7	Very low	35.6	Very low	127 Å²	127	132.7 Å²	132.7	68%	0.679	77%	0.77	S	S	*	*			trans	47.9	108.1	144.6	-68	-32.9	0	0	0	119.1
2956	T	36.6	Very low	34.9	Very low	129 Å²	129	137.8 Å²	137.8	79%	0.791	78%	0.775	S	S	*	*				177.9	141	96.1	29.5	0	0	0	0	113.9
2957	S	32.7	Very low	35	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	77%	0.773	S	S	*	*			trans	39.6	160.2	144.3	65.1	0	0	0	0	125.2
2958	V	33.9	Very low	34.9	Very low	136 Å²	136	134.8 Å²	134.8	82%	0.824	76%	0.762	S	S	*	*			trans	84.7	120.9	163.2	-165.5	0	0	0	0	117
2959	P	37.5	Very low	34.8	Very low	120 Å²	120	140.1 Å²	140.1	78%	0.779	77%	0.772	S	S	*	*			trans	-104.9	144.4	179.6	37.8	-31.6	0	0	0	114.2
2960	K	32.4	Very low	34.7	Very low	211 Å²	211	137.8 Å²	137.8	92%	0.917	77%	0.766	S	S	*	*			trans	-159.9	161.3	138.7	-128.9	170.6	-176.9	175.2	0	111.8
2961	A	30.7	Very low	34.4	Very low	93 Å²	93	135.9 Å²	135.9	77%	0.769	76%	0.764	S	S	*	*			trans	-66.3	153.3	177.2	0	0	0	0	0	112.1
2962	T	35.1	Very low	34.1	Very low	144 Å²	144	135.4 Å²	135.4	88%	0.883	76%	0.756	S	S	*	*			trans	-134.5	129.4	151.2	-68.3	0	0	0	0	108.4
2963	R	32.1	Very low	34	Very low	180 Å²	180	137.7 Å²	137.7	68%	0.679	76%	0.755	S	S	*	*			trans	-97.2	129.8	-171.3	179.8	-165.8	-174.7	-142.5	20.1	107.9	T2965	R2963-T2965 WeakPolarHBondContact CD-OG1 3.28Å; R2963-T2965 VanDerWaalsContact CG-OG1 3.29Å; R2963-T2965 WeakPolarHBondContact CG-OG1 3.03Å; R2963-T2965 PolarHBondContact NE-OG1 3.03Å; R2963-T2965 VanDerWaalsContact NH1-CG2 3.28Å; R2963-T2965 PolarHBondContact NH1-OG1 3.41Å; R2963-T2965 VanDerWaalsContact NH1-OG1 3.1Å
2964	L	35.1	Very low	34	Very low	178 Å²	178	140.8 Å²	140.8	93%	0.932	75%	0.75	S	S	*	*			trans	-91.9	125.3	157.4	-85.4	169.5	0	0	0	108.2
2965	T	32.4	Very low	33.6	Very low	55 Å²	55	141.5 Å²	141.5	34%	0.337	75%	0.753	S	S	.	*			trans	-126.8	136.8	-169	-45.1	0	0	0	0	108.4	R2963	R2963-T2965 WeakPolarHBondContact CD-OG1 3.28Å; R2963-T2965 VanDerWaalsContact CG-OG1 3.29Å; R2963-T2965 WeakPolarHBondContact CG-OG1 3.03Å; R2963-T2965 PolarHBondContact NE-OG1 3.03Å; R2963-T2965 VanDerWaalsContact NH1-CG2 3.28Å; R2963-T2965 PolarHBondContact NH1-OG1 3.41Å; R2963-T2965 VanDerWaalsContact NH1-OG1 3.1Å
2966	Y	32.1	Very low	34.1	Very low	225 Å²	225	140 Å²	140	88%	0.882	75%	0.751	S	S	*	*			trans	-159.3	142.1	151.2	-82.9	-64.9	0	0	0	109.8
2967	P	38.5	Very low	33.9	Very low	115 Å²	115	141.8 Å²	141.8	75%	0.747	75%	0.75	S	S	*	*			cis	-121.9	174.8	-39	22.1	-1.4	0	0	0	112.1
2968	E	31.4	Very low	33.6	Very low	130 Å²	130	144.2 Å²	144.2	61%	0.607	75%	0.752	S	S	*	*			trans	-124.1	146.5	-178.6	-175.1	-155.3	114.6	0	0	110.3	S2970	E2968-S2970 PolarHBondContact OE1-OG 3.36Å
2969	M	34.8	Very low	33.6	Very low	179 Å²	179	144.2 Å²	144.2	88%	0.882	75%	0.752	S	S	*	*			trans	-139.2	117.8	155.1	-54.6	178.6	-168.6	0	0	103.6
2970	S	34.7	Very low	33.7	Very low	86 Å²	86	143.6 Å²	143.6	60%	0.601	75%	0.748	S	S	*	*			cis	54.7	133.5	49.4	-75.2	0	0	0	0	111.8	E2968	E2968-S2970 PolarHBondContact OE1-OG 3.36Å
2971	E	31.3	Very low	33.7	Very low	159 Å²	159	141 Å²	141	74%	0.743	74%	0.744	S	S	*	*			cis	-158.3	175.8	23.8	-142.7	-173	126.2	0	0	112.4
2972	L	34.1	Very low	33.9	Very low	121 Å²	121	141.3 Å²	141.3	63%	0.634	74%	0.74	S	S	*	*			trans	60.5	116.3	158.9	-61.9	163.1	0	0	0	117.7
2973	V	33.4	Very low	34	Very low	122 Å²	122	141.3 Å²	141.3	74%	0.739	73%	0.734	S	S	*	*			cis	57.9	116.1	47.3	-171.6	0	0	0	0	113.5
2974	H	36.1	Very low	34.3	Very low	175 Å²	175	138.6 Å²	138.6	81%	0.81	74%	0.74	S	S	*	*				-168.7	169.1	125.3	-99.2	89.4	0	0	0	111
2975	Q	31	Very low	34.2	Very low	181 Å²	181	135.9 Å²	135.9	85%	0.846	73%	0.726	S	S	*	*			trans	-110.2	-160.1	-161.8	-149	-162.8	80.9	0	0	112.3
2976	P	39.7	Very low	34.3	Very low	96 Å²	96	138.5 Å²	138.5	62%	0.623	75%	0.747	S	S	*	*				-103.3	-178.3	-129.3	41.5	-24.9	0	0	0	114.1
2977	Q	32	Very low	34.2	Very low	167 Å²	167	136.7 Å²	136.7	78%	0.78	74%	0.74	S	S	*	*			trans	-161.3	150.7	136.2	-164.3	65.6	1.5	0	0	110.7
2978	M	27.3	Very low	33.9	Very low	156 Å²	156	133.8 Å²	133.8	77%	0.768	73%	0.73	S	S	*	*			trans	-71.7	157	176.1	-49.3	174.3	-69.5	0	0	113.2
2979	V	34.9	Very low	33.9	Very low	136 Å²	136	134 Å²	134	82%	0.824	73%	0.734	S	S	*	*				-173.7	139.8	119	142.6	0	0	0	0	110.6
2980	P	38.1	Very low	33.7	Very low	107 Å²	107	131.4 Å²	131.4	70%	0.695	72%	0.724	S	S	*	*			trans	-100.7	155.4	176.8	38.5	-33.7	0	0	0	113.4
2981	D	33.8	Very low	33.4	Very low	157 Å²	157	133.7 Å²	133.7	84%	0.84	73%	0.729	S	S	*	*			trans	178	151.8	157.6	-104.6	-33.8	0	0	0	111.2
2982	S	35.1	Very low	33.3	Very low	99 Å²	99	134.9 Å²	134.9	69%	0.692	74%	0.735	S	S	*	*			cis	-149.2	169.5	-18.9	-42	0	0	0	0	109.7
2983	L	35.7	Very low	33.2	Very low	144 Å²	144	132.8 Å²	132.8	75%	0.754	74%	0.735	S	S	*	*			trans	-85	164	167	-64.9	161.8	0	0	0	111.1
2984	P	39.8	Very low	33.1	Very low	123 Å²	123	134.6 Å²	134.6	80%	0.799	74%	0.737	S	S	*	*				-131.3	144.1	83.3	11.3	11.6	0	0	0	113.1
2985	N	33.2	Very low	32.9	Very low	120 Å²	120	133.2 Å²	133.2	64%	0.642	74%	0.735	S	S	*	*				65.6	112.9	62.8	-83.6	-2.1	0	0	0	116.3
2986	S	32.5	Very low	32.9	Very low	111 Å²	111	129.2 Å²	129.2	78%	0.776	73%	0.726	S	S	*	*				-157.6	135.1	122.9	-172	0	0	0	0	113.5
2987	Y	30.4	Very low	32.4	Very low	187 Å²	187	130.5 Å²	130.5	73%	0.733	73%	0.732	S	S	*	*			trans	-37	160	160.2	-48.3	-91.8	0	0	0	114.5	I2989	Y2987-I2989 HydrophobicContact CD1-CD1 4.4Å
2988	G	32.8	Very low	32.4	Very low	53 Å²	53	126.9 Å²	126.9	55%	0.546	73%	0.726	S	S	.	*			cis	160.2	-165.2	20.8	0	0	0	0	0	108
2989	I	31.6	Very low	32.7	Very low	135 Å²	135	130.2 Å²	130.2	69%	0.692	73%	0.73	S	S	*	*			cis	-168.2	144.6	-11.5	-105.9	159.3	0	0	0	107	Y2987	Y2987-I2989 HydrophobicContact CD1-CD1 4.4Å
2990	N	30.3	Very low	32.6	Very low	124 Å²	124	128.1 Å²	128.1	66%	0.663	72%	0.721	S	S	*	*			trans	58.3	137.6	168	-75.4	-28	0	0	0	118.9
2991	N	28.3	Very low	32.3	Very low	134 Å²	134	128.7 Å²	128.7	72%	0.717	72%	0.719	S	S	*	*			cis	79.1	147.6	46.6	-68.5	-43.5	0	0	0	115
2992	Q	30.3	Very low	32.2	Very low	185 Å²	185	128.1 Å²	128.1	86%	0.864	71%	0.711	S	S	*	*			trans	80.4	142.7	-174.6	-54	171	108.9	0	0	114.2
2993	A	29.9	Very low	32	Very low	76 Å²	76	130.2 Å²	130.2	63%	0.628	71%	0.71	S	S	*	*			cis	-166.4	-177.6	-18	0	0	0	0	0	108.9
2994	M	32.5	Very low	31.7	Very low	161 Å²	161	130.4 Å²	130.4	79%	0.793	71%	0.709	S	S	*	*			trans	71.1	110	167.6	-41.6	-48.6	-121.9	0	0	115.2
2995	I	32.1	Very low	31.4	Very low	146 Å²	146	130.4 Å²	130.4	75%	0.749	71%	0.706	S	S	*	*				88.9	140.8	56.8	-69.1	168.6	0	0	0	112.9
2996	S	29.7	Very low	31.2	Very low	96 Å²	96	133.6 Å²	133.6	67%	0.671	72%	0.716	S	S	*	*			trans	75.9	117.5	173.5	-75.9	0	0	0	0	117.4
2997	T	31	Very low	31.2	Very low	123 Å²	123	133.5 Å²	133.5	76%	0.755	72%	0.716	S	S	*	*				74.6	141.3	54.3	71.6	0	0	0	0	113.5
2998	S	30.7	Very low	31.1	Very low	92 Å²	92	130.6 Å²	130.6	64%	0.643	71%	0.713	S	S	*	*			cis	-166.5	151.9	13.4	-134.9	0	0	0	0	114.8
2999	R	33.6	Very low	30.9	Very low	225 Å²	225	133.1 Å²	133.1	85%	0.849	72%	0.718	S	S	*	*			trans	56	166.1	136.5	-78.5	176.7	138.9	-176.8	-5.2	123
3000	S	32.6	Very low	30.7	Very low	92 Å²	92	134 Å²	134	64%	0.643	72%	0.721	S	S	*	*			trans	90.9	124.6	151.8	-166.3	0	0	0	0	117.5
3001	N	32.1	Very low	30.6	Very low	120 Å²	120	134.8 Å²	134.8	64%	0.642	72%	0.721	S	S	*	*			cis	-162.3	141	-9.8	-120.6	-45.4	0	0	0	112.4
3002	Q	32.5	Very low	30.6	Very low	145 Å²	145	133.1 Å²	133.1	68%	0.678	72%	0.715	S	S	*	*			trans	56.9	153.7	136	-87.4	-179.7	81.5	0	0	125.3
3003	Q	31.4	Very low	30.4	Very low	142 Å²	142	128.9 Å²	128.9	66%	0.664	69%	0.692	S	S	*	*			trans	92.2	100.4	140	-87.5	173.3	42.1	0	0	122.1
3004	M	28.2	Very low	30.5	Very low	149 Å²	149	130.9 Å²	130.9	73%	0.734	68%	0.683	S	S	*	*				109.9	152.7	105.5	-147.2	-165.1	-52.2	0	0	119
3005	V	33.4	Very low	30.5	Very low	122 Å²	122	127.7 Å²	127.7	74%	0.739	67%	0.67	S	S	*	*			trans	84.4	131.1	162.3	-165	0	0	0	0	117.8
3006	H	30.2	Very low	30.5	Very low	187 Å²	187	125.1 Å²	125.1	87%	0.866	66%	0.658	S	S	*	*			trans	-96.8	144.4	174.5	-60.1	92.6	0	0	0	111.7
3007	S	32.2	Very low	30.8	Very low	110 Å²	110	125.1 Å²	125.1	77%	0.769	65%	0.653	S	S	*	*			trans	-164.2	133.6	161.4	-76.2	0	0	0	0	105.8
3008	N	27.7	Very low	31.1	Very low	126 Å²	126	124.4 Å²	124.4	67%	0.674	65%	0.653	S	S	*	*			cis	68.5	144.3	32.6	-147.4	6.7	0	0	0	113.1
3009	T	28.9	Very low	31.3	Very low	106 Å²	106	124.4 Å²	124.4	65%	0.65	64%	0.643	S	S	*	*			trans	69.5	119.5	150.5	-61.3	0	0	0	0	120.2
3010	M	28	Very low	31.4	Very low	153 Å²	153	119.2 Å²	119.2	75%	0.754	62%	0.624	S	S	*	*			trans	76.6	129.7	145.3	-65.7	-96	-78.3	0	0	122.8
3011	Q	27.3	Very low	31.6	Very low	140 Å²	140	118 Å²	118	65%	0.654	62%	0.615	S	S	*	*				53.7	145.5	121.4	-57.7	-78.5	1.3	0	0	123.1
3012	V	27.7	Very low	31.8	Very low	100 Å²	100	119.5 Å²	119.5	61%	0.606	62%	0.623	S	S	*	*			trans	71.1	116.1	134	160	0	0	0	0	119.1
3013	Y	27.2	Very low	32.2	Very low	95 Å²	95	120.3 Å²	120.3	37%	0.373	63%	0.626	S	S	.	*			trans	68.7	172.6	157.2	-68.2	-158.2	0	0	0	115.1	Y2679 S2680	Y2679-Y3013 VanDerWaalsContact N-CE1 3.28Å; Y2679-Y3013 VanDerWaalsContact O-CD2 3.28Å; Y2679-Y3013 WeakPolarHBondContact O-CD2 3.4Å; Y2679-Y3013 WeakPolarHBondContact O-CE2 3.37Å; S2680-Y3013 PolarHBondContact N-OH 3.24Å; S2680-Y3013 PolarHBondContact OG-OH 3.44Å
3014	R	31.4	Very low	32.6	Very low	118 Å²	118	118.9 Å²	118.9	45%	0.445	63%	0.629	S	S	.	*			cis	-146	143.7	6.1	-152.2	-177.7	-110.9	103.3	-1.8	113.6	L2677 S2678	L2677-R3014 VanDerWaalsContact CA-NE 3.27Å; S2678-R3014 PolarHBondContact OG-NE 3.37Å; S2678-R3014 PolarHBondContact OG-NH2 3.48Å
3015	N	32.7	Very low	33	Very low	94 Å²	94	116.9 Å²	116.9	50%	0.503	63%	0.63	S	S	.	*				-16	158.2	128	-103.7	-2.9	0	0	0	115.8	Y2679	Y2679-N3015 WeakPolarHBondContact CD2-ND2 3.46Å
3016	N	32.1	Very low	32.9	Very low	93 Å²	93	115.8 Å²	115.8	50%	0.497	63%	0.628	S	S	.	*			cis	-172.2	-179.8	29.5	-140.9	-20.5	0	0	0	113.7
3017	V	35.8	Very low	33.1	Very low	95 Å²	95	115.7 Å²	115.7	58%	0.576	63%	0.63	S	S	*	*			trans	73.4	127.3	146.7	163.6	0	0	0	0	117.8	Q3019	V3017-Q3019 HydrophobicContact CG1-CG 4.04Å
3018	S	37.6	Very low	33.3	Very low	109 Å²	109	116.9 Å²	116.9	76%	0.762	63%	0.628	S	S	*	*			cis	89.9	-176.3	26.7	-161.9	0	0	0	0	114.8
3019	Q	35.7	Very low	34.1	Very low	92 Å²	92	115.9 Å²	115.9	43%	0.43	63%	0.628	S	S	.	*			trans	79.4	140	-167.9	-49	-54.2	-17.9	0	0	114	V3017	V3017-Q3019 HydrophobicContact CG1-CG 4.04Å
3020	R	35.1	Very low	34.3	Very low	116 Å²	116	119.5 Å²	119.5	44%	0.438	63%	0.631	S	S	.	*			cis	-144.5	134.8	-0.1	-109.7	148.3	-174.1	-77.5	7	107.5	T2363 A2364 Y2365	T2363-R3020 VanDerWaalsContact CG2-NH2 3.35Å; A2364-R3020 PolarHBondContact O-NH2 3.42Å; Y2365-R3020 VanDerWaalsContact CE1-NH2 3.35Å; Y2365-R3020 PolarHBondContact OH-NH1 2.83Å; Y2365-R3020 PolarHBondContact OH-NH2 3.16Å
3021	S	37.4	Very low	34.8	Very low	65 Å²	65	119.3 Å²	119.3	46%	0.455	63%	0.628	S	S	.	*				78.9	132.4	76.9	-56.6	0	0	0	0	114.1
3022	D	35.2	Very low	35	Very low	153 Å²	153	119.4 Å²	119.4	82%	0.818	63%	0.628	S	S	*	*				-161.2	167.7	104.5	-91.9	-20.7	0	0	0	112.5
3023	H	40	Very low	35.2	Very low	162 Å²	162	121.8 Å²	121.8	75%	0.75	64%	0.635	S	S	*	*			trans	-109	-159.7	-166.3	-64.9	-92.2	0	0	0	109.3
3024	P	41.5	Very low	35.5	Very low	111 Å²	111	123.8 Å²	123.8	72%	0.721	65%	0.652	S	S	*	*			cis	-145.2	-174	2.1	45.2	-25.1	0	0	0	118.3
3025	S	34.8	Very low	35.4	Very low	108 Å²	108	124.4 Å²	124.4	76%	0.755	67%	0.669	S	S	*	*			trans	75.4	151	152	-79	0	0	0	0	120.9
3026	S	32.5	Very low	35.6	Very low	98 Å²	98	126.1 Å²	126.1	69%	0.685	68%	0.682	S	S	*	*			cis	160.1	126.7	-43.9	52	0	0	0	0	109.4
3027	M	35.3	Very low	35.8	Very low	186 Å²	186	127.8 Å²	127.8	92%	0.916	70%	0.696	S	S	*	*			trans	-151.5	133.2	152.9	-80.7	-140.5	78.8	0	0	110.7
3028	N	34.8	Very low	36	Very low	135 Å²	135	128.6 Å²	128.6	72%	0.722	70%	0.703	S	S	*	*			trans	-163.9	125	168.5	-179.8	11.2	0	0	0	108.9
3029	P	46	Very low	35.9	Very low	104 Å²	104	128.2 Å²	128.2	68%	0.675	70%	0.7	S	S	*	*			trans	-130.2	135.4	143.1	35	-23.3	0	0	0	111.7
3030	Y	31.7	Very low	36	Very low	183 Å²	183	128.8 Å²	128.8	72%	0.718	71%	0.714	S	S	*	*				78.4	131.1	57.5	-100.8	-75.2	0	0	0	115.9
3031	H	38.1	Very low	36.2	Very low	149 Å²	149	130 Å²	130	69%	0.69	73%	0.729	S	S	*	*			trans	67	158.9	165.9	-62.7	-70.9	0	0	0	118.1
3032	Q	31.9	Very low	36.4	Very low	142 Å²	142	132.3 Å²	132.3	66%	0.664	74%	0.74	S	S	*	*			cis	-173.3	145.4	-29.9	174.2	167.3	-35.6	0	0	110.2
3033	M	31.7	Very low	36.5	Very low	149 Å²	149	129.7 Å²	129.7	73%	0.734	73%	0.734	S	S	*	*			trans	71.4	159.4	160.5	-95.7	27.9	171.4	0	0	121.9
3034	D	33.2	Very low	36.6	Very low	138 Å²	138	128.2 Å²	128.2	74%	0.738	73%	0.73	S	S	*	*			trans	70	111.2	158.5	-63.2	-43.3	0	0	0	122.6
3035	V	30.8	Very low	36.3	Very low	131 Å²	131	129.3 Å²	129.3	79%	0.794	73%	0.73	S	S	*	*				17.9	146.7	122.9	-161.3	0	0	0	0	118.8
3036	V	36.2	Very low	36.3	Very low	129 Å²	129	128.5 Å²	128.5	78%	0.782	72%	0.721	S	S	*	*			trans	108.3	96.9	166.2	-175.7	0	0	0	0	114.2
3037	T	35.9	Very low	36.5	Very low	128 Å²	128	131 Å²	131	79%	0.785	72%	0.721	S	S	*	*			trans	-52.2	150.2	156.5	5.5	0	0	0	0	111.4
3038	P	39.8	Very low	36.3	Very low	112 Å²	112	128.4 Å²	128.4	73%	0.727	71%	0.711	S	S	*	*				-156.1	156.1	81.4	41.1	-21.6	0	0	0	119.7
3039	S	35.7	Very low	36.1	Very low	101 Å²	101	128.8 Å²	128.8	71%	0.706	71%	0.711	S	S	*	*			trans	72.6	113.7	132.7	-69.7	0	0	0	0	124.6
3040	S	38	Very low	35.3	Very low	104 Å²	104	128.4 Å²	128.4	73%	0.727	71%	0.711	S	S	*	*				86	154.7	120.5	-55.7	0	0	0	0	119.3
3041	L	40.4	Very low	35.3	Very low	143 Å²	143	127.1 Å²	127.1	75%	0.749	72%	0.717	S	S	*	*			cis	-137.2	144.2	17.2	-79.5	167.5	0	0	0	114.4
3042	T	41	Very low	35.3	Very low	112 Å²	112	127.7 Å²	127.7	69%	0.687	72%	0.723	S	S	*	*			trans	52.3	147.3	142.6	58.9	0	0	0	0	121.8	I3044	T3042-I3044 HydrophobicContact CG2-CD1 4.27Å
3043	S	37.8	Very low	35.4	Very low	99 Å²	99	125.9 Å²	125.9	69%	0.692	72%	0.724	S	S	*	*			cis	-138.2	140.7	6.4	-96.9	0	0	0	0	109.4
3044	I	41.1	Very low	35.3	Very low	131 Å²	131	129.8 Å²	129.8	67%	0.672	73%	0.73	S	S	*	*				67.8	128.9	65.3	-57.4	163.1	0	0	0	110.4	T3042	T3042-I3044 HydrophobicContact CG2-CD1 4.27Å
3045	D	35.4	Very low	35.3	Very low	134 Å²	134	127.5 Å²	127.5	72%	0.717	73%	0.73	S	S	*	*			cis	-109.6	-142.1	19.6	-150.2	-83.6	0	0	0	115.6
3046	T	34.6	Very low	35.6	Very low	90 Å²	90	127.4 Å²	127.4	55%	0.552	73%	0.733	S	S	*	*			trans	-142.2	-157.9	-147.9	-26.3	0	0	0	0	113.2	L3048	T3046-L3048 HydrophobicContact CG2-CD1 3.6Å; T3046-L3048 HydrophobicContact CG2-CG 4.03Å
3047	Q	36.8	Very low	35.3	Very low	150 Å²	150	126.4 Å²	126.4	70%	0.701	73%	0.732	S	S	*	*			trans	69	80.6	172.5	-38.4	-50.4	-1.2	0	0	115.6
3048	L	31.6	Very low	35	Very low	133 Å²	133	127 Å²	127	70%	0.696	73%	0.734	S	S	*	*			cis	79.4	146	44.8	-59	172.6	0	0	0	116.3	T3046	T3046-L3048 HydrophobicContact CG2-CD1 3.6Å; T3046-L3048 HydrophobicContact CG2-CG 4.03Å
3049	I	30.5	Very low	34.6	Very low	143 Å²	143	126.4 Å²	126.4	73%	0.733	74%	0.739	S	S	*	*			trans	79.5	112	158.2	-68.5	150.1	0	0	0	117.5
3050	S	28.8	Very low	34.4	Very low	96 Å²	96	127 Å²	127	67%	0.671	75%	0.75	S	S	*	*			trans	31	136.1	134.7	-39.5	0	0	0	0	119.7
3051	D	32.2	Very low	34.1	Very low	156 Å²	156	125.5 Å²	125.5	83%	0.834	75%	0.752	S	S	*	*				-163.8	166	68.5	-103.6	-35.4	0	0	0	115.9
3052	I	38.3	Very low	33.7	Very low	161 Å²	161	126.8 Å²	126.8	83%	0.826	76%	0.758	S	S	*	*			trans	-89.5	131.3	170.7	-66.3	164.6	0	0	0	109.7
3053	P	34.3	Very low	33.4	Very low	104 Å²	104	130 Å²	130	68%	0.675	77%	0.765	S	S	*	*			trans	-147.7	135.5	133.1	32.3	-14.1	0	0	0	117.8
3054	R	29.3	Very low	33.1	Very low	230 Å²	230	134.3 Å²	134.3	87%	0.868	78%	0.775	S	S	*	*				52	128.2	128.4	-53.1	177.7	85.4	81.7	-6.8	120.7
3055	A	32.4	Very low	33	Very low	90 Å²	90	133.3 Å²	133.3	74%	0.744	77%	0.774	S	S	*	*			trans	-73	155.8	158.2	0	0	0	0	0	112.7
3056	P	37.4	Very low	33	Very low	130 Å²	130	130.7 Å²	130.7	84%	0.844	78%	0.779	S	S	*	*			trans	-81	112.9	157.2	32.5	-28.9	0	0	0	109.9
3057	S	30.4	Very low	33	Very low	108 Å²	108	135.4 Å²	135.4	76%	0.755	79%	0.792	S	S	*	*			trans	-98.8	168.7	153.3	-172.9	0	0	0	0	108.6
3058	V	30.3	Very low	33.2	Very low	139 Å²	139	134.4 Å²	134.4	84%	0.842	79%	0.788	S	S	*	*			trans	72.9	95.2	178.8	-167.6	0	0	0	0	115.5
3059	A	30.7	Very low	34	Very low	101 Å²	101	133.2 Å²	133.2	84%	0.835	79%	0.787	S	S	*	*				-151.1	132.4	114.2	0	0	0	0	0	108.5
3060	A	30.6	Very low	34.6	Very low	112 Å²	112	131.6 Å²	131.6	93%	0.926	79%	0.787	S	S	*	*			trans	-92.3	134.5	-179.4	0	0	0	0	0	111
3061	G	32.2	Very low	35.4	Very low	74 Å²	74	131.4 Å²	131.4	76%	0.763	78%	0.777	S	S	*	*			trans	-156.4	117.6	176	0	0	0	0	0	110.1
3062	L	32	Very low	35.8	Very low	170 Å²	170	131 Å²	131	89%	0.89	77%	0.773	S	S	*	*			trans	-47.9	148.2	173.5	-57.8	151.6	0	0	0	110
3063	E	35.1	Very low	36	Very low	178 Å²	178	129 Å²	129	83%	0.832	77%	0.768	S	S	*	*			cis	-165.7	169.3	44.2	55.4	-155.1	129.4	0	0	113.2
3064	E	31.4	Very low	36.3	Very low	191 Å²	191	128.4 Å²	128.4	89%	0.893	77%	0.766	S	S	*	*			trans	-72.8	128	-177.3	-68.9	179.8	93	0	0	114.2
3065	V	39.7	Very low	36.8	Very low	109 Å²	109	128.8 Å²	128.8	66%	0.661	77%	0.768	S	S	*	*			trans	-133.9	93.6	157.8	-173.2	0	0	0	0	110	F3067	V3065-F3067 HydrophobicContact CG1-CD2 4.26Å; V3065-F3067 HydrophobicContact CG1-CE2 3.81Å; V3065-F3067 HydrophobicContact CG1-CZ 4.45Å
3066	G	34.5	Very low	37.1	Very low	79 Å²	79	130.2 Å²	130.2	81%	0.814	76%	0.762	S	S	*	*			trans	-73	123.9	174.3	0	0	0	0	0	112
3067	F	35.1	Very low	37.4	Very low	189 Å²	189	128.6 Å²	128.6	83%	0.829	76%	0.76	S	S	*	*			trans	-93.1	112.8	175.4	-84.7	-94.8	0	0	0	111.5	V3065	V3065-F3067 HydrophobicContact CG1-CD2 4.26Å; V3065-F3067 HydrophobicContact CG1-CE2 3.81Å; V3065-F3067 HydrophobicContact CG1-CZ 4.45Å
3068	E	41.2	Very low	37.9	Very low	130 Å²	130	128.1 Å²	128.1	61%	0.607	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-73.4	134.7	170.3	-171.3	-156.9	-156.6	0	0	110.6	I3071	E3068-I3071 WeakPolarHBondContact OE1-CD1 3.31Å
3069	P	47	Very low	38.6	Very low	107 Å²	107	131.1 Å²	131.1	70%	0.695	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-70.9	130.1	166.8	29.4	-33.3	0	0	0	110.8	I3071	P3069-I3071 PolarHBondContact O-N 2.67Å
3070	P	44.5	Very low	39.4	Very low	110 Å²	110	134 Å²	134	71%	0.714	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-68	130.5	-165.3	25	-35.1	0	0	0	114.3	I3072	P3070-I3072 PolarHBondContact O-N 2.84Å; P3070-I3072 VanDerWaalsContact O-N 3.09Å
3071	I	44	Very low	40	Very low	92 Å²	92	137.5 Å²	137.5	47%	0.472	76%	0.76	S	S	.	*			trans	-70.9	101.7	179.5	-57.4	174.9	0	0	0	111.1	E3068 P3069 V3073	E3068-I3071 WeakPolarHBondContact OE1-CD1 3.31Å; P3069-I3071 PolarHBondContact O-N 2.67Å; I3071-V3073 HydrophobicContact CG2-CG2 4.21Å; I3071-V3073 PolarHBondContact O-N 2.81Å
3072	I	41.9	Very low	40.4	Very low	148 Å²	148	145.9 Å²	145.9	76%	0.759	77%	0.769	S	S	*	*			trans	-76.2	92.8	175.6	-55.7	179.8	0	0	0	110.7	P3070 S3074	P3070-I3072 PolarHBondContact O-N 2.84Å; P3070-I3072 VanDerWaalsContact O-N 3.09Å; I3072-S3074 PolarHBondContact O-N 2.64Å
3073	V	41.8	Very low	40.4	Very low	117 Å²	117	143.6 Å²	143.6	71%	0.709	77%	0.766	S	S	*	*			trans	-69.3	91.8	177.7	-174.3	0	0	0	0	111.2	I3071 R3075	I3071-V3073 HydrophobicContact CG2-CG2 4.21Å; I3071-V3073 PolarHBondContact O-N 2.81Å; V3073-R3075 PolarHBondContact O-N 3.33Å
3074	S	41.1	Very low	40.4	Very low	92 Å²	92	139.4 Å²	139.4	64%	0.643	76%	0.761	S	S	*	*			trans	-71.9	94.1	179.9	-65.6	0	0	0	0	112.1	I3072 L3076	I3072-S3074 PolarHBondContact O-N 2.64Å; S3074-L3076 PolarHBondContact O-N 3.5Å
3075	R	39.9	Very low	40.8	Very low	238 Å²	238	135.7 Å²	135.7	90%	0.898	75%	0.754	S	S	*	*			trans	-66.8	88.6	172.5	-70.3	-173	177.7	-167.9	0.3	111.5	V3073 A3077	V3073-R3075 PolarHBondContact O-N 3.33Å; R3075-A3077 PolarHBondContact O-N 3.44Å; R3075-A3077 VanDerWaalsContact O-N 3.12Å
3076	L	39.3	Very low	40.7	Very low	120 Å²	120	137.5 Å²	137.5	63%	0.628	77%	0.765	S	S	*	*			trans	-74.9	97.3	170.9	-111.4	73	0	0	0	110.7	S3074 A3078	S3074-L3076 PolarHBondContact O-N 3.5Å; L3076-A3078 PolarHBondContact O-N 3.44Å
3077	A	43.1	Very low	40.7	Very low	97 Å²	97	140.6 Å²	140.6	80%	0.802	76%	0.761	S	S	*	*			trans	-68.8	108.1	165.9	0	0	0	0	0	109.6	R3075 K3079	R3075-A3077 PolarHBondContact O-N 3.44Å; R3075-A3077 VanDerWaalsContact O-N 3.12Å; A3077-K3079 PolarHBondContact O-N 3.2Å
3078	A	41.3	Very low	40.6	Very low	98 Å²	98	139.1 Å²	139.1	81%	0.81	76%	0.762	S	S	*	*			trans	-71.2	110.6	171.6	0	0	0	0	0	109.3	L3076	L3076-A3078 PolarHBondContact O-N 3.44Å
3079	K	44.1	Very low	40.2	Very low	201 Å²	201	138.5 Å²	138.5	87%	0.874	77%	0.767	S	S	*	*			trans	-108.6	97.8	174	-172	166.8	-175.9	172.9	0	109.4	A3077	A3077-K3079 PolarHBondContact O-N 3.2Å
3080	D	47.1	Very low	39.6	Very low	161 Å²	161	139.3 Å²	139.3	86%	0.861	78%	0.775	S	S	*	*			trans	-73.3	157.8	179.7	-131.4	-39.6	0	0	0	112.3
3081	K	44.1	Very low	39	Very low	187 Å²	187	142.2 Å²	142.2	81%	0.813	78%	0.784	S	S	*	*			trans	-96.1	127.4	-173.6	-71	-174.3	177.8	-176.8	0	112.4
3082	R	39.3	Very low	38.6	Very low	250 Å²	250	146.5 Å²	146.5	94%	0.943	81%	0.806	S	S	*	*			trans	-124	121.2	147.1	-72.5	-169.4	-179.2	-168.3	0.5	109.3
3083	C	32.6	Very low	38.2	Very low	122 Å²	122	145.3 Å²	145.3	82%	0.824	81%	0.811	S	S	*	*			trans	-81.4	159	155.6	-61.1	0	0	0	0	107.7
3084	A	34.6	Very low	37.8	Very low	89 Å²	89	143.4 Å²	143.4	74%	0.736	82%	0.815	S	S	*	*			cis	-174.7	-165.7	-18.3	0	0	0	0	0	105.5
3085	P	41.1	Very low	37.4	Very low	113 Å²	113	144.7 Å²	144.7	73%	0.734	82%	0.824	S	S	*	*			cis	-117.7	151.2	-47.9	32.2	-18.8	0	0	0	112.1
3086	V	36.5	Very low	37	Very low	147 Å²	147	136.7 Å²	136.7	89%	0.891	81%	0.809	S	S	*	*			trans	-137.8	135.2	148	-178.7	0	0	0	0	108.1
3087	I	34.7	Very low	36.6	Very low	144 Å²	144	141.3 Å²	141.3	74%	0.738	82%	0.82	S	S	*	*			trans	-91.8	123.4	-178.4	-63	160.2	0	0	0	109.2
3088	N	32.8	Very low	36.1	Very low	158 Å²	158	144.7 Å²	144.7	85%	0.845	82%	0.819	S	S	*	*				-158.7	155	128.1	-123.7	-30.7	0	0	0	112.5
3089	V	33.5	Very low	35.6	Very low	117 Å²	117	145 Å²	145	71%	0.709	81%	0.811	S	S	*	*			trans	-122.5	129.2	-168	-169.2	0	0	0	0	110.5
3090	S	33.6	Very low	35.1	Very low	125 Å²	125	143.3 Å²	143.3	87%	0.874	81%	0.806	S	S	*	*			trans	-166.3	116.9	152.2	-83.8	0	0	0	0	110.2
3091	L	32	Very low	34.4	Very low	170 Å²	170	142.8 Å²	142.8	89%	0.89	80%	0.798	S	S	*	*			trans	-95.6	137.2	162.9	-73.4	164.2	0	0	0	107.7
3092	L	37	Very low	33.9	Very low	182 Å²	182	139.4 Å²	139.4	95%	0.953	79%	0.793	S	S	*	*			trans	-152	154.7	159.9	-112.2	167	0	0	0	110.5
3093	S	32.1	Very low	33.6	Very low	123 Å²	123	132.3 Å²	132.3	86%	0.86	78%	0.778	S	S	*	*			trans	-97.1	155.4	-170	-162.5	0	0	0	0	112.1
3094	G	34.4	Very low	33.7	Very low	77 Å²	77	132.7 Å²	132.7	79%	0.794	77%	0.772	S	S	*	*			trans	-166.2	139.4	178	0	0	0	0	0	110.8
3095	S	32.3	Very low	33.6	Very low	119 Å²	119	136.2 Å²	136.2	83%	0.832	77%	0.773	S	S	*	*			trans	-127	-171.9	-172.1	-170.3	0	0	0	0	111.1
3096	A	31.7	Very low	33.4	Very low	70 Å²	70	139.7 Å²	139.7	58%	0.579	78%	0.779	S	S	*	*			trans	86.2	118.2	155.3	0	0	0	0	0	119.9
3097	Y	29.9	Very low	33.2	Very low	217 Å²	217	142.2 Å²	142.2	85%	0.851	77%	0.773	S	S	*	*				45.3	131.3	122	-48.5	-55.3	0	0	0	118.8
3098	Q	33.1	Very low	33.2	Very low	169 Å²	169	141.5 Å²	141.5	79%	0.79	77%	0.769	S	S	*	*			cis	-147.8	151.3	35.9	-80.2	-151	77.3	0	0	112.2
3099	T	30.9	Very low	33.3	Very low	103 Å²	103	137.4 Å²	137.4	63%	0.632	75%	0.753	S	S	*	*				82.4	139.9	62.5	-24	0	0	0	0	114.5
3100	E	33.8	Very low	33.3	Very low	166 Å²	166	140.1 Å²	140.1	78%	0.776	76%	0.756	S	S	*	*			trans	75.7	154.4	160.5	-60.9	-142.1	120.2	0	0	121.4
3101	H	32.3	Very low	33.6	Very low	150 Å²	150	138.7 Å²	138.7	69%	0.694	74%	0.739	S	S	*	*			cis	-171	174.5	-45.2	-141.8	-102.5	0	0	0	109.1
3102	T	33.8	Very low	33.9	Very low	116 Å²	116	133.2 Å²	133.2	71%	0.712	71%	0.71	S	S	*	*			trans	68.5	155.4	147.7	-67	0	0	0	0	117.1
3103	V	33.4	Very low	34.1	Very low	102 Å²	102	128.9 Å²	128.9	62%	0.618	69%	0.691	S	S	*	*			cis	-171.9	153.5	-47.7	123.4	0	0	0	0	105.4	Q3105	V3103-Q3105 HydrophobicContact CG1-CG 4.29Å
3104	D	34.1	Very low	34.4	Very low	130 Å²	130	128.6 Å²	128.6	70%	0.695	68%	0.68	S	S	*	*			trans	-178.1	119.6	139.2	-93.8	-22.8	0	0	0	109
3105	Q	32.4	Very low	34.6	Very low	162 Å²	162	127.6 Å²	127.6	76%	0.757	67%	0.67	S	S	*	*				70.6	114.5	71.4	-72.8	-161.8	91.8	0	0	113.8	V3103	V3103-Q3105 HydrophobicContact CG1-CG 4.29Å
3106	Q	36.1	Very low	34.9	Very low	187 Å²	187	128.1 Å²	128.1	87%	0.874	67%	0.674	S	S	*	*			trans	176	142.7	141	-95.6	-176.7	36.1	0	0	107.9
3107	R	32.9	Very low	35.3	Very low	200 Å²	200	129.3 Å²	129.3	76%	0.755	68%	0.683	S	S	*	*			cis	-171.4	121.9	-10.9	-173.4	167.5	173.5	-102.6	-1.3	111.2
3108	L	34.8	Very low	35.7	Very low	128 Å²	128	125 Å²	125	67%	0.67	68%	0.679	S	S	*	*			trans	64.8	159.7	152.1	-65.1	-179.3	0	0	0	118.3
3109	S	34.6	Very low	35.9	Very low	72 Å²	72	123.4 Å²	123.4	50%	0.503	68%	0.681	S	S	.	*			cis	-166.2	149	0.3	-113.9	0	0	0	0	113.4
3110	F	35.1	Very low	36.1	Very low	174 Å²	174	123.3 Å²	123.3	76%	0.763	69%	0.685	S	S	*	*			trans	56.8	160.8	134.7	-59.3	-37.1	0	0	0	120.9
3111	D	38.9	Very low	36.3	Very low	96 Å²	96	121.2 Å²	121.2	51%	0.513	68%	0.683	S	S	.	*			cis	-169.6	176.8	3.6	-120.6	24.8	0	0	0	109.4
3112	N	38.4	Very low	36.5	Very low	54 Å²	54	120.8 Å²	120.8	29%	0.289	69%	0.691	S	S	.	*			cis	-165.9	177.4	-21.9	-141	-27.1	0	0	0	112.8	P2545 T2546 P2547	P2545-N3112 WeakPolarHBondContact CB-O 3.43Å; T2546-N3112 VanDerWaalsContact C-OD1 3.29Å; T2546-N3112 PolarHBondContact O-OD1 3.37Å; P2547-N3112 WeakPolarHBondContact CD-OD1 3.2Å; P2547-N3112 WeakPolarHBondContact CG-OD1 3.32Å
3113	T	40.2	Very low	36.6	Very low	92 Å²	92	119.2 Å²	119.2	56%	0.564	70%	0.698	S	S	*	*			trans	67	138.4	164.7	62	0	0	0	0	120.8	P2545 T2546	P2545-T3113 VanDerWaalsContact CB-O 3.24Å; P2545-T3113 WeakPolarHBondContact CB-O 3.19Å; P2545-T3113 WeakPolarHBondContact CG-O 3.2Å; T2546-T3113 VanDerWaalsContact O-CA 3.32Å; T2546-T3113 WeakPolarHBondContact O-CA 3.42Å; T2546-T3113 PolarHBondContact O-N 3.21Å
3114	D	39.7	Very low	36.7	Very low	116 Å²	116	118.6 Å²	118.6	62%	0.62	71%	0.712	S	S	*	*			cis	-171.2	-175.3	-17.4	-121.6	-78.2	0	0	0	107.1
3115	G	38.1	Very low	36.8	Very low	56 Å²	56	115.7 Å²	115.7	58%	0.577	71%	0.713	S	S	*	*			cis	165.9	148	-1.6	0	0	0	0	0	114.1
3116	S	38.8	Very low	37.1	Very low	131 Å²	131	115.4 Å²	115.4	92%	0.916	72%	0.717	S	S	*	*			trans	66.2	149.3	169.3	-70.7	0	0	0	0	119.9
3117	A	39.2	Very low	37.1	Very low	94 Å²	94	112.7 Å²	112.7	78%	0.777	71%	0.713	S	S	*	*			cis	-134	-149.8	13.2	0	0	0	0	0	114.4
3118	V	38.5	Very low	37.2	Very low	127 Å²	127	107.5 Å²	107.5	77%	0.77	71%	0.713	S	S	*	*			trans	-153.1	163.4	-153.9	-83.8	0	0	0	0	116.9
3119	T	37.6	Very low	37.2	Very low	135 Å²	135	107.5 Å²	107.5	83%	0.828	71%	0.714	S	S	*	*			trans	69.5	145.4	160.1	51.4	0	0	0	0	120.2
3120	S	36.1	Very low	37.1	Very low	101 Å²	101	110.8 Å²	110.8	71%	0.706	72%	0.719	S	S	*	*			cis	-172	-173.6	-12.3	52	0	0	0	0	109.4
3121	V	37.6	Very low	37.5	Very low	123 Å²	123	107.2 Å²	107.2	75%	0.745	71%	0.713	S	S	*	*			cis	-159	164.6	12	-122.7	0	0	0	0	112.7
3122	T	35.8	Very low	37.3	Very low	140 Å²	140	112.2 Å²	112.2	86%	0.859	73%	0.726	S	S	*	*			trans	26.7	133.9	153.1	56.2	0	0	0	0	126.5
3123	G	36.3	Very low	37.1	Very low	83 Å²	83	119 Å²	119	86%	0.856	75%	0.748	S	S	*	*			trans	143.8	122.9	133.3	0	0	0	0	0	121.4
3124	G	35.9	Very low	36.9	Very low	89 Å²	89	119.7 Å²	119.7	92%	0.918	75%	0.752	S	S	*	*			trans	81.5	162.8	161.2	0	0	0	0	0	119.2
3125	G	36.6	Very low	36.9	Very low	70 Å²	70	119.6 Å²	119.6	72%	0.722	76%	0.756	S	S	*	*			cis	122.9	142	-19.6	0	0	0	0	0	117.6
3126	D	36.9	Very low	36.8	Very low	155 Å²	155	122.1 Å²	122.1	83%	0.829	77%	0.765	S	S	*	*			cis	-172.3	152.4	-22.6	-113.4	-42.6	0	0	0	116
3127	V	36.6	Very low	36.8	Very low	130 Å²	130	124 Å²	124	79%	0.788	76%	0.759	S	S	*	*			trans	62.6	140.3	147.5	175.6	0	0	0	0	126.3
3128	A	36.3	Very low	36.7	Very low	92 Å²	92	126 Å²	126	76%	0.76	76%	0.756	S	S	*	*			trans	83	162.3	153.1	0	0	0	0	0	123.5
3129	N	34.3	Very low	36.7	Very low	128 Å²	128	128.8 Å²	128.8	68%	0.684	76%	0.758	S	S	*	*			cis	-173.3	171.5	-41.4	-158.5	-1.5	0	0	0	112.8
3130	F	32	Very low	36.5	Very low	140 Å²	140	126.7 Å²	126.7	61%	0.614	76%	0.755	S	S	*	*			trans	88.9	156.7	154.3	-71.3	-49.8	0	0	0	123.7	P2571	P2571-F3130 VanDerWaalsContact O-CZ 3.29Å; P2571-F3130 WeakPolarHBondContact O-CZ 3.1Å
3131	P	44	Very low	36.6	Very low	99 Å²	99	129.7 Å²	129.7	64%	0.643	76%	0.761	S	S	*	*			trans	-143.3	-142.6	-142.8	45.3	-21.4	0	0	0	115.9
3132	Y	34.3	Very low	36.5	Very low	201 Å²	201	132 Å²	132	79%	0.788	76%	0.763	S	S	*	*			trans	116.9	144.3	167	-75.1	-62.1	0	0	0	115.8
3133	R	35.1	Very low	36.6	Very low	197 Å²	197	132.4 Å²	132.4	74%	0.743	76%	0.76	S	S	*	*			cis	-166.1	154.4	-2	-153.6	178.9	-148.7	-100.8	5	114.3
3134	T	36	Very low	36.8	Very low	106 Å²	106	132.8 Å²	132.8	65%	0.65	75%	0.749	S	S	*	*			trans	66.5	155.9	152.9	26.4	0	0	0	0	120.4
3135	T	38	Very low	36.8	Very low	115 Å²	115	136.3 Å²	136.3	71%	0.706	75%	0.747	S	S	*	*			cis	-154.9	147.8	14.1	-5	0	0	0	0	113.9
3136	S	37.3	Very low	37.1	Very low	108 Å²	108	142.3 Å²	142.3	76%	0.755	75%	0.753	S	S	*	*			trans	56.5	153.2	143.8	65.7	0	0	0	0	122.4
3137	E	39.5	Very low	37.2	Very low	170 Å²	170	144.6 Å²	144.6	79%	0.794	75%	0.752	S	S	*	*			cis	-134.5	173.5	2.9	-95.9	-149.2	91.5	0	0	111.9	K3139	E3137-K3139 IonicContact OE1-NZ 2.73Å
3138	D	35.7	Very low	37.2	Very low	136 Å²	136	147.3 Å²	147.3	73%	0.727	75%	0.753	S	S	*	*			trans	-126.6	157.5	-168	-152.2	-23.8	0	0	0	112.4
3139	K	38.1	Very low	37	Very low	186 Å²	186	154.8 Å²	154.8	81%	0.809	78%	0.776	S	S	*	*			trans	171	135.4	145.4	-93	143.8	-156	142.4	0	113.7	E3137	E3137-K3139 IonicContact OE1-NZ 2.73Å
3140	A	34.5	Very low	37.1	Very low	92 Å²	92	156.2 Å²	156.2	76%	0.76	78%	0.78	S	S	*	*			trans	-141.5	144.9	175.7	0	0	0	0	0	112.9
3141	I	37.7	Very low	37.4	Very low	163 Å²	163	157 Å²	157	84%	0.836	79%	0.789	S	S	*	*			trans	-145	108.6	167.3	-49.7	177.7	0	0	0	105.1
3142	H	35	Very low	37.1	Very low	171 Å²	171	160.2 Å²	160.2	79%	0.792	80%	0.797	S	S	*	*				86.4	147.3	51.1	-147.6	89.1	0	0	0	113.7
3143	L	38.9	Very low	37.2	Very low	149 Å²	149	157.8 Å²	157.8	78%	0.78	80%	0.798	S	S	*	*			trans	78	143.9	-173	-52.5	164	0	0	0	116.8
3144	S	39.9	Very low	37.3	Very low	91 Å²	91	155.4 Å²	155.4	64%	0.636	80%	0.801	S	S	*	*			cis	-165.2	122.7	-39.4	52.2	0	0	0	0	109.8	K3146	S3144-K3146 PolarHBondContact O-N 3.13Å
3145	N	36.3	Very low	37.4	Very low	163 Å²	163	158.7 Å²	158.7	87%	0.872	81%	0.811	S	S	*	*			trans	-80.1	109.9	164.8	-99.4	-33.6	0	0	0	109.4
3146	K	42.5	Very low	37.4	Very low	196 Å²	196	161.8 Å²	161.8	85%	0.852	82%	0.819	S	S	*	*			trans	-99.3	111.7	166.4	-97.9	-167.2	172.1	-172.5	0	110.2	S3144	S3144-K3146 PolarHBondContact O-N 3.13Å
3147	Y	39.2	Very low	37.4	Very low	204 Å²	204	165.9 Å²	165.9	80%	0.8	82%	0.823	S	S	*	*			trans	-77.2	156.4	159.5	-88.4	-103.5	0	0	0	110.4
3148	F	36.6	Very low	37.2	Very low	187 Å²	187	165.6 Å²	165.6	82%	0.82	83%	0.826	S	S	*	*			trans	-18.1	128.9	164.7	-76	-99	0	0	0	117
3149	M	32.4	Very low	37.4	Very low	249 Å²	249	168.3 Å²	168.3	100%	1.227	84%	0.835	S	S	*	*				-98.6	0	90.8	-75	-165.6	71.1	0	0	108.7

Retrieved 3,149 of 3,149 residues in 522.7 ms (Link to these results)

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