A0A5K4FG55_SCHMA Loading...

BAT2_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FG55, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,463 aa.

						>A0A5K4FG55_SCHMA|A0A5K4FG55
MSSKVKSEKTKVKFAQSNINHVYKGNTTEPQHKPTVRQYGMQVVGKLQGTRRLPPPAWVPSIKAETGGLDSRVSLVPAGGGGWGAPSTSSADQPPVSSTTTDSLPVVSTLPSVNGALYSETVGNSLEPAYTKFAYGNSDMGVTGVSTLKDTSVGVNGPVKTNKTEEAVKDKVSSQLLKPPSDKPGSSGGLAANKPFFQRPTPIVTTSSTATTTSKSEIPTKVDGGAREIVGEPSGWVAIGQDEPDFDERIIFSDDEEYEVKPVRSTTTTNISEQSAQFLIPPPSTVKTSLHAMPMKPFVNPSTNLQGACVIQSQSTVSQNMYGSNLMTSNTWSAADVSYTRNCSVSHPGPPPLNLPYSIASINTCGITSDANRSLPSGQFMNHVTSPGVIDSFYSTHPLQSRLAVSIASGITDSVRSATDVDAELQQAQRQARTQEFKNAVERAQQARARQKLSESCSVENDNMLPKSALGLLPSMSENRPFPLVSAPFTTTACQPDPNCLFPMGDHSSVNHMLSTPPPNMLPAFPTSGPLDITAAIAAATAAAIAYTGGADSGVPERSRTEMPLSVPSVIPQTQVPMPVSSNTVTAGTWQTQFGSNNSMPAAMVRLLSQQPLMAQLLQNALKMSAGNSQVPKSTQNPQGAFLNPDFSVERFLEIFNQSQMNWPQGPPISSPKNTLSSESNTQVTISTMRHDQSSTSTVDSCLRSQFASTTSIPGNPDGTVGSQNVKESDGSSEKTRRVHRVSQSSSRSDVPVVTTSSTVTSSNSPSQRTTRVPGLMDIKVSCASSQHLAHLWDKEDHLLEPVSRGFRGRGKSLISYKPQRGSAKGRGTSKSHLLEAVTGDLKSMDLRESNDPHYSADDYDVSHRSHSVSKSSKSWRSKPSHSVDDSVIDAYNMNSRVKSGLTDDEHMRYRKQVRNITDDSCWTRTDLDNNSSPSVLSSESENNECGVLSDVQEGDGTEDDKRYNRFHTESGKKRSQHLSKFSHPNQAGVSDNKDKNKSLSTSYNRRGRRGRVGTNSHFTSSRSYTTDDFSSYSKRYSKGSEQDYYWRQYYGSGSRGVRTGHSAGMNIDQYKNHSNDDIFYRPSERQASRSITSGSFTGISGYFGGRMTRSYAQYESSRDQNKDLDSQYYVTNGRQMRPQKMYYSHKGQFSSATDFSHEYVASDNDENRSHGRSTNYPDSKAKVYAVSGRFHKTYRKNPTNTTTKSELNTQPHIDTEQVAKLTLDSTNSQIEGIDDPEVPTVRVPASDSVIMNAQYTKMRTNRFATHKVLGTSKRVSNRAGQNHQSKRLNGSVIHTTRRYREMRDRYNDEKDGDGGAAAGGAGRSGTSSGVSASIIFKTGTGGNSNSRGGNQCSGNGGHTDSAVDFVDQGKQSNNSEVVSNTANDPLDENNMNSRSLTRRRQAVVVTGNTSDTNDVDEWETASEGSFSSETIKNSSKPLSDANKRKNVSEISTSSHLKNDVKTSKSSSTVTRGNPSSCHVTEATINHRHHDNDDTEGGTSSRPAAGGIALQTECSKVSSSPSVISGTVQKNEKSHLSGGSSTNQHSAYRSNTRASRCGTTFYHKRNDMSSIPPLMSIKPHASFPENSYAVDSLSTWANRTERKSETVSKDDSDKFSQSRKEFYEVNQDTFEEDTPHGDGFTKVVSKASKYFARRRMQQEVSVSGDLSTRRSNGFSRNIGNVTQVYSKEGSTLTTTLSQNYVHTNDHKSQSSGLLRSLSGKKKCLPTKVSFMGPPLCLDATSSVCTVTTSILSGQTNQPVPCSSSLSATPTSSVLQKISFSTTRTWSKVVGTKFAKVPPENHGDSTKTSSSVLLNSNSVWQTEHSNHVITEESNEDKKLLDNTATTTTSNTDSVVKCSYASMQSLWSIGDSIPQANKNHSTNSTLLLASSTVQGTVVPSVGPLCTVSPSTTFSSQISNNICKVKPQQQQLLQVTSISPLISTSMHLNLLSPSNNNIIENISTADLIAETERSDFECCGDIGRPNALLRPHTSDNLQNLTTLSSNAFQSWSSSNALYTPFSLSNVPINRHESNMFSGNVWPTADQSMDMNINCMTGSYNTNSNQPHFQNQLSSNILSSVLTHNNTTPSLDGMTKQSNISITPRQQHIQSYQNSILTPADRVNIYSSGPYGNNSTELGKLSNNLCVPSQQMTYVSAAPSLYVHPQSTAIQPAPSRSFHHSLSIPIQSQMSQARKCRQQVPHQMDPSTFTAGYTSFPTDIKNEYNFPPSIAGCIPPPPSVGLYSAIHQSNYPQNSGRHAIGFPTTVNSYSLLGNPSATSNLQAAGQPYAPAIGPAAGNGGGLLPHPVPQGGYNNTPCHFPTPITSNSVSNYANASNYVGVIGGGRPNTDHSNATVRQRGLQHHNLFPHPNLPQSPSAQGQQSFQLPSSFYPSISPSHQRVSLQQFGGTSRAAITGPINPQNGLYGPAFGGASHPPNQATPPPIGHQLNPIGFYSNQFQYPSRPDGLH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE 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	34.4	Very low	31.6	Very low	233 Å²	233	151.6 Å²	151.6	100%	1.148	79%	0.788	S	S	*	*				0	152.8	0	-69.8	171.6	73.9	0	0	108.9
2	S	34.7	Very low	32.1	Very low	102 Å²	102	148 Å²	148	71%	0.713	78%	0.777	S	S	*	*			trans	33.9	112.9	155.9	-50.2	0	0	0	0	120.9
3	S	30.5	Very low	32.3	Very low	100 Å²	100	149.6 Å²	149.6	70%	0.699	77%	0.774	S	S	*	*				-1.8	149.7	117.9	58.9	0	0	0	0	118.1
4	K	36	Very low	33	Very low	201 Å²	201	152.3 Å²	152.3	87%	0.874	78%	0.777	S	S	*	*			cis	-158.7	155.7	14.1	-132.1	166.3	-175.2	176.8	0	111.3
5	V	31.7	Very low	33.4	Very low	134 Å²	134	148.5 Å²	148.5	81%	0.812	78%	0.778	S	S	*	*			trans	-89.6	165.7	172.7	175.4	0	0	0	0	110.8
6	K	24.8	Very low	34.3	Very low	182 Å²	182	151.1 Å²	151.1	79%	0.791	79%	0.785	S	S	*	*			trans	-57.3	164.6	173.4	-57.5	174.3	177.9	175.2	0	113.5
7	S	26.5	Very low	34.7	Very low	91 Å²	91	147.6 Å²	147.6	64%	0.636	78%	0.776	S	S	*	*			trans	50.4	139.9	136.5	62.1	0	0	0	0	121.9
8	E	25.7	Very low	35	Very low	151 Å²	151	145.6 Å²	145.6	71%	0.706	77%	0.766	S	S	*	*			trans	63.4	143.5	157.8	-72	-165.6	107.7	0	0	116.6
9	K	33.3	Very low	36.1	Very low	159 Å²	159	143.8 Å²	143.8	69%	0.691	76%	0.756	S	S	*	*			cis	-150.2	150.9	22.8	-116.2	131.9	-179.4	135.4	0	111.1
10	T	35.6	Very low	36.6	Very low	127 Å²	127	139.1 Å²	139.1	78%	0.779	73%	0.731	S	S	*	*			trans	-10.4	136.6	135.9	-40.1	0	0	0	0	116.6
11	K	34.7	Very low	37	Very low	188 Å²	188	138.1 Å²	138.1	82%	0.817	72%	0.723	S	S	*	*				162.5	157.3	106.3	-146.1	174.2	-172.3	179.5	0	112.3
12	V	37.2	Very low	37.6	Very low	108 Å²	108	133 Å²	133	66%	0.655	70%	0.704	S	S	*	*			trans	65.3	94.5	166.4	-166.4	0	0	0	0	115.4
13	K	34.2	Very low	37.9	Very low	169 Å²	169	135.4 Å²	135.4	74%	0.735	70%	0.699	S	S	*	*				61.9	118.1	89.9	-64.5	177.5	179.2	-176.4	0	114.8
14	F	42.2	Very low	38.4	Very low	187 Å²	187	137.2 Å²	137.2	82%	0.82	69%	0.694	S	S	*	*				174.3	109.7	101.1	-91.5	-65.8	0	0	0	112.4
15	A	38.9	Very low	38.6	Very low	96 Å²	96	131 Å²	131	79%	0.793	69%	0.687	S	S	*	*			trans	-173.1	73.9	162.1	0	0	0	0	0	105
16	Q	48.6	Very low	38.8	Very low	189 Å²	189	129.8 Å²	129.8	88%	0.883	68%	0.676	S	S	*	*				63.9	126.6	83.4	-161.4	164.8	-2.1	0	0	111.7
17	S	40.6	Very low	39.2	Very low	92 Å²	92	127 Å²	127	64%	0.643	67%	0.674	S	S	*	*			trans	-88.3	143.4	-152.9	44.2	0	0	0	0	114.5
18	N	39.8	Very low	39.7	Very low	112 Å²	112	129 Å²	129	60%	0.599	68%	0.682	S	S	*	*			trans	-89.3	101.8	141.3	-173.1	-16.8	0	0	0	108.1	N20	N18-N20 PolarHBondContact O-N 3.38Å; N18-N20 WeakPolarHBondContact OD1-CB 3.28Å; N18-N20 PolarHBondContact OD1-N 2.72Å; N18-N20 VanDerWaalsContact OD1-N 3.17Å; N18-N20 PolarHBondContact OD1-ND2 2.79Å
19	I	56.4	Low	40	Very low	111 Å²	111	130.3 Å²	130.3	57%	0.569	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-74.1	-6.6	-171.6	-151.4	159.1	0	0	0	113.5	H21	I19-H21 PolarHBondContact O-N 3.08Å
20	N	46	Very low	40.2	Very low	49 Å²	49	128.1 Å²	128.1	26%	0.262	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-81.8	-4.5	-174.9	-68.6	-72.5	0	0	0	115.8	N18 V1789 G1790 T1791	N18-N20 PolarHBondContact O-N 3.38Å; N18-N20 WeakPolarHBondContact OD1-CB 3.28Å; N18-N20 PolarHBondContact OD1-N 2.72Å; N18-N20 VanDerWaalsContact OD1-N 3.17Å; N18-N20 PolarHBondContact OD1-ND2 2.79Å; N20-V1789 HydrophobicContact CB-CG2 4.27Å; N20-G1790 WeakPolarHBondContact O-CA 3.05Å; N20-G1790 PolarHBondContact O-N 3.24Å; N20-G1790 WeakPolarHBondContact OD1-CA 3.3Å; N20-T1791 PolarHBondContact OD1-N 2.85Å
21	H	46.2	Very low	39.9	Very low	119 Å²	119	130.4 Å²	130.4	55%	0.551	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-104.5	2.9	177.7	-81	-99.7	0	0	0	114.5	I19 K1787	I19-H21 PolarHBondContact O-N 3.08Å; H21-K1787 PolarHBondContact CE1-O 3.21Å
22	V	46.4	Very low	40	Very low	125 Å²	125	129.9 Å²	129.9	76%	0.758	69%	0.693	S	S	*	*	S	Bend	trans	-129.4	2.9	-174.8	-167.2	0	0	0	0	113
23	Y	39.6	Very low	39.6	Very low	154 Å²	154	133.2 Å²	133.2	60%	0.604	70%	0.698	S	S	*	*			trans	-136.4	90.6	-176.2	-134.4	-102.2	0	0	0	114.5	G1790	Y23-G1790 CarbonylContact O-C 3.48Å; Y23-G1790 WeakPolarHBondContact O-CA 3.34Å; Y23-G1790 PolarHBondContact O-N 2.72Å; Y23-G1790 VanDerWaalsContact O-O 3.13Å
24	K	41.4	Very low	39.8	Very low	138 Å²	138	130.6 Å²	130.6	60%	0.6	70%	0.698	S	S	*	*	S	Bend	trans	-179.4	120.1	144.1	-109.2	173.4	175.7	164.9	0	110	G1790 T1791	K24-G1790 WeakPolarHBondContact CD-O 3.47Å; K24-T1791 WeakPolarHBondContact CE-OG1 3.49Å; K24-T1791 PolarHBondContact NZ-OG1 3.18Å
25	G	41.2	Very low	39.4	Very low	69 Å²	69	126 Å²	126	71%	0.711	69%	0.686	S	S	*	*			trans	69.4	79.6	-179.9	0	0	0	0	0	112.1
26	N	35.9	Very low	39.3	Very low	110 Å²	110	125.6 Å²	125.6	59%	0.588	67%	0.673	S	S	*	*				47.4	108.5	56.4	-57.3	20.8	0	0	0	110.3
27	T	32	Very low	38.5	Very low	122 Å²	122	125.3 Å²	125.3	75%	0.748	66%	0.664	S	S	*	*				51	94.6	64.4	75.5	0	0	0	0	113.2
28	T	37.5	Very low	38.3	Very low	133 Å²	133	126 Å²	126	82%	0.816	66%	0.657	S	S	*	*				-170.5	145.4	110.4	29.5	0	0	0	0	109.9	P30	T28-P30 VanDerWaalsContact O-CD 3.29Å; T28-P30 WeakPolarHBondContact O-CD 3.33Å
29	E	33	Very low	38	Very low	179 Å²	179	130.6 Å²	130.6	84%	0.836	67%	0.668	S	S	*	*			trans	-90.1	115.8	161	173.7	-173.6	166	0	0	108.2
30	P	37	Very low	37.2	Very low	113 Å²	113	128.9 Å²	128.9	73%	0.734	68%	0.677	S	S	*	*			trans	-108.6	138.5	158.2	35.2	-29.7	0	0	0	110.8	T28	T28-P30 VanDerWaalsContact O-CD 3.29Å; T28-P30 WeakPolarHBondContact O-CD 3.33Å
31	Q	29.8	Very low	37	Very low	175 Å²	175	135 Å²	135	82%	0.818	71%	0.707	S	S	*	*			trans	-73.1	136.4	-174.4	-58.4	165.1	-0.1	0	0	112.1
32	H	35.3	Very low	36.8	Very low	178 Å²	178	138 Å²	138	82%	0.824	72%	0.721	S	S	*	*			trans	-152.7	123.3	130.7	-132.9	-76.5	0	0	0	112.1
33	K	29.8	Very low	36.9	Very low	178 Å²	178	138 Å²	138	77%	0.774	72%	0.721	S	S	*	*			trans	-97.4	147.4	158.4	-69.6	175.2	179.9	170.4	0	107.4
34	P	38.6	Very low	36.8	Very low	113 Å²	113	137.1 Å²	137.1	73%	0.734	73%	0.731	S	S	*	*				-118.7	149.2	94.5	-7.5	29	0	0	0	111.1
35	T	34.1	Very low	36.7	Very low	91 Å²	91	133.6 Å²	133.6	56%	0.558	73%	0.734	S	S	*	*				61.5	110.9	54	-47.4	0	0	0	0	109.9
36	V	35.7	Very low	36.6	Very low	87 Å²	87	140.5 Å²	140.5	53%	0.527	75%	0.745	S	S	.	*				-143.9	109.8	74.2	176.9	0	0	0	0	113.5	M295	V36-M295 HydrophobicContact CB-CE 4.06Å; V36-M295 HydrophobicContact CB-SD 4.44Å; V36-M295 HydrophobicContact CG2-CE 4.45Å
37	R	32.4	Very low	36.8	Very low	184 Å²	184	143.7 Å²	143.7	69%	0.694	76%	0.761	S	S	*	*				44.5	154	129.1	-52.5	-177.5	172.7	-164.7	-2.5	123.5	K296	R37-K296 PolarHBondContact O-NZ 3.34Å
38	Q	35.7	Very low	36.8	Very low	107 Å²	107	146.7 Å²	146.7	50%	0.5	77%	0.766	S	S	.	*			trans	70	126.6	146.5	-80.7	154.8	-62	0	0	117.3	K296	Q38-K296 PolarHBondContact O-NZ 2.67Å
39	Y	34.5	Very low	36.5	Very low	208 Å²	208	143.7 Å²	143.7	82%	0.816	76%	0.761	S	S	*	*			cis	-139.1	166.8	2.5	-75.3	-92	0	0	0	111
40	G	39.3	Very low	36.9	Very low	75 Å²	75	142.4 Å²	142.4	77%	0.773	77%	0.766	S	S	*	*			trans	142.6	69.8	164.7	0	0	0	0	0	117.6
41	M	41.1	Very low	37.1	Very low	177 Å²	177	147.5 Å²	147.5	87%	0.872	77%	0.77	S	S	*	*			trans	12.5	113	166.9	-70.9	171.5	61.2	0	0	119.9
42	Q	43.3	Very low	37.5	Very low	182 Å²	182	149.9 Å²	149.9	85%	0.85	77%	0.772	S	S	*	*			trans	-121.7	108.7	155.8	-171.9	177.6	44.1	0	0	109
43	V	48.5	Very low	37.9	Very low	125 Å²	125	149.3 Å²	149.3	76%	0.758	77%	0.774	S	S	*	*			trans	-90.3	121.3	177	178.1	0	0	0	0	109.6
44	V	37.4	Very low	38.7	Very low	136 Å²	136	146.1 Å²	146.1	82%	0.824	77%	0.771	S	S	*	*			trans	-100.8	112.2	175.1	179.1	0	0	0	0	108.7
45	G	39	Very low	39.1	Very low	64 Å²	64	146 Å²	146	66%	0.66	77%	0.771	S	S	*	*			trans	-164.5	120.3	178.7	0	0	0	0	0	112.9	L47	G45-L47 PolarHBondContact O-N 2.77Å
46	K	37.9	Very low	39.6	Very low	214 Å²	214	147.2 Å²	147.2	93%	0.93	78%	0.78	S	S	*	*			trans	-82.9	85.3	173.8	-68.7	176.2	-177.2	169.4	0	109.9	Q48	K46-Q48 PolarHBondContact O-N 2.85Å; K46-Q48 VanDerWaalsContact O-N 3.14Å
47	L	41.4	Very low	39.8	Very low	177 Å²	177	147.5 Å²	147.5	93%	0.927	79%	0.791	S	S	*	*			trans	-73.3	103.8	168	-90.1	164.4	0	0	0	110.2	G45	G45-L47 PolarHBondContact O-N 2.77Å
48	Q	31.5	Very low	40.3	Very low	185 Å²	185	148.8 Å²	148.8	86%	0.864	80%	0.796	S	S	*	*			trans	-69.9	148.6	160.8	-66.1	178.8	-34.3	0	0	109.2	K46	K46-Q48 PolarHBondContact O-N 2.85Å; K46-Q48 VanDerWaalsContact O-N 3.14Å
49	G	32.3	Very low	40.6	Very low	69 Å²	69	147.8 Å²	147.8	71%	0.711	80%	0.798	S	S	*	*			trans	104.4	24.7	150.2	0	0	0	0	0	120	R51	G49-R51 PolarHBondContact O-N 3.19Å; G49-R51 VanDerWaalsContact O-N 3.16Å
50	T	40.8	Very low	41	Very low	152 Å²	152	143 Å²	143	93%	0.933	79%	0.792	S	S	*	*			trans	-78.5	95.4	158.3	-46.1	0	0	0	0	109.6
51	R	40.2	Very low	41.3	Very low	220 Å²	220	142 Å²	142	83%	0.83	77%	0.773	S	S	*	*			trans	-76.3	137.9	177.4	-76.1	-177	169.9	-160.7	-1.6	111.2	G49	G49-R51 PolarHBondContact O-N 3.19Å; G49-R51 VanDerWaalsContact O-N 3.16Å
52	R	38.7	Very low	41.9	Very low	225 Å²	225	138.7 Å²	138.7	85%	0.849	76%	0.758	S	S	*	*			trans	62.2	75.1	155.4	-62.1	178.3	175.4	-154.3	-4.4	117.6
53	L	43.2	Very low	42.1	Very low	167 Å²	167	133 Å²	133	87%	0.874	73%	0.73	S	S	*	*				-111.1	128.2	118.4	-72.5	176.6	0	0	0	107.4
54	P	48.3	Very low	42.1	Very low	110 Å²	110	130.4 Å²	130.4	71%	0.714	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-67.5	145	172	29.4	-33.1	0	0	0	109.4
55	P	46.3	Very low	42.8	Very low	111 Å²	111	130.1 Å²	130.1	72%	0.721	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-60.7	140.6	171.8	27.4	-33.9	0	0	0	109.3	A57	P55-A57 PolarHBondContact O-N 3.01Å
56	P	44.5	Very low	43.5	Very low	117 Å²	117	131.6 Å²	131.6	76%	0.76	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-56.9	128.6	177.8	23.7	-33.3	0	0	0	109.5	W58	P56-W58 PolarHBondContact O-N 2.65Å
57	A	38.7	Very low	43.6	Very low	92 Å²	92	122.6 Å²	122.6	76%	0.76	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-53.5	129.8	-173.6	0	0	0	0	0	110.5	P55 V59	P55-A57 PolarHBondContact O-N 3.01Å; A57-V59 PolarHBondContact O-N 3.22Å
58	W	44.1	Very low	43.9	Very low	211 Å²	211	117.3 Å²	117.3	80%	0.799	66%	0.664	S	S	*	*			trans	-64.6	97.6	-177.3	-81.6	-4.9	0	0	0	110.9	P56 P60	P56-W58 PolarHBondContact O-N 2.65Å; W58-P60 VanDerWaalsContact O-CD 3.25Å; W58-P60 WeakPolarHBondContact O-CD 3.01Å; W58-P60 VanDerWaalsContact O-N 3.15Å
59	V	42.3	Very low	44.8	Very low	87 Å²	87	113.3 Å²	113.3	53%	0.527	65%	0.648	S	S	.	*			trans	-53.6	117.8	167.5	-175.8	0	0	0	0	108.1	A57 S61 I62	A57-V59 PolarHBondContact O-N 3.22Å; V59-S61 PolarHBondContact O-N 2.93Å; V59-S61 VanDerWaalsContact O-N 3.11Å; V59-I62 PolarHBondContact O-N 2.86Å
60	P	41.3	Very low	45.7	Very low	106 Å²	106	113.6 Å²	113.6	69%	0.688	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-23	-174	-27.4	36.8	0	0	0	113.9	W58 I62 K63 A64	W58-P60 VanDerWaalsContact O-CD 3.25Å; W58-P60 WeakPolarHBondContact O-CD 3.01Å; W58-P60 VanDerWaalsContact O-N 3.15Å; P60-I62 PolarHBondContact O-N 3.33Å; P60-K63 WeakPolarHBondContact O-CA 2.97Å; P60-K63 PolarHBondContact O-N 3.33Å; P60-A64 PolarHBondContact O-N 3.31Å; P60-A64 VanDerWaalsContact O-N 3.13Å
61	S	46.4	Very low	46.6	Very low	54 Å²	54	112 Å²	112	38%	0.378	63%	0.629	S	S	.	*	H	α-helix	trans	-55.7	-46.3	179.3	83.6	0	0	0	0	111.8	V59 K63 A64 E65	V59-S61 PolarHBondContact O-N 2.93Å; V59-S61 VanDerWaalsContact O-N 3.11Å; S61-K63 PolarHBondContact O-N 3.04Å; S61-A64 CarbonylContact O-C 3.23Å; S61-A64 WeakPolarHBondContact O-CA 3.11Å; S61-A64 WeakPolarHBondContact O-CB 2.78Å; S61-A64 PolarHBondContact O-N 2.8Å; S61-E65 WeakPolarHBondContact CB-OE1 3.19Å; S61-E65 WeakPolarHBondContact O-CB 2.74Å; S61-E65 VanDerWaalsContact O-CG 3.25Å; S61-E65 WeakPolarHBondContact O-CG 3.45Å; S61-E65 PolarHBondContact O-N 2.96Å; S61-E65 VanDerWaalsContact O-OE1 3.13Å; S61-E65 PolarHBondContact OG-OE1 3.16Å
62	I	53.7	Low	47.1	Very low	108 Å²	108	110 Å²	110	55%	0.554	62%	0.621	S	S	*	*	H	α-helix	trans	-59.1	-21.1	179.3	-69.8	176.7	0	0	0	111.8	V59 P60 E65 T66	V59-I62 PolarHBondContact O-N 2.86Å; P60-I62 PolarHBondContact O-N 3.33Å; I62-E65 PolarHBondContact N-OE1 2.81Å; I62-T66 WeakPolarHBondContact O-CB 3.11Å; I62-T66 WeakPolarHBondContact O-CG2 3.32Å; I62-T66 PolarHBondContact O-N 2.73Å; I62-T66 PolarHBondContact O-OG1 3.45Å
63	K	48.1	Very low	47.8	Very low	64 Å²	64	102.1 Å²	102.1	28%	0.278	60%	0.598	S	S	.	*	H	α-helix	trans	-97.7	-10.9	173.2	-77.6	-173.3	173.4	175.1	0	115.7	P60 S61 G67	P60-K63 WeakPolarHBondContact O-CA 2.97Å; P60-K63 PolarHBondContact O-N 3.33Å; S61-K63 PolarHBondContact O-N 3.04Å; K63-G67 WeakPolarHBondContact O-CA 3.39Å; K63-G67 PolarHBondContact O-N 2.89Å
64	A	47.2	Very low	48.4	Very low	70 Å²	70	95.3 Å²	95.3	58%	0.579	56%	0.564	S	S	*	*	H	α-helix	trans	-79.6	-47.3	160.5	0	0	0	0	0	109.8	P60 S61 T66 G67 G68	P60-A64 PolarHBondContact O-N 3.31Å; P60-A64 VanDerWaalsContact O-N 3.13Å; S61-A64 CarbonylContact O-C 3.23Å; S61-A64 WeakPolarHBondContact O-CA 3.11Å; S61-A64 WeakPolarHBondContact O-CB 2.78Å; S61-A64 PolarHBondContact O-N 2.8Å; A64-T66 PolarHBondContact O-N 3.34Å; A64-G67 PolarHBondContact O-N 2.79Å; A64-G67 VanDerWaalsContact O-N 3.08Å; A64-G68 PolarHBondContact O-N 3.06Å
65	E	53	Low	49	Very low	130 Å²	130	96.2 Å²	96.2	61%	0.607	56%	0.562	S	S	*	*	H	α-helix	trans	-61.7	-25.9	176.9	-64.3	166.4	-107.6	0	0	113.1	S61 I62	S61-E65 WeakPolarHBondContact CB-OE1 3.19Å; S61-E65 WeakPolarHBondContact O-CB 2.74Å; S61-E65 VanDerWaalsContact O-CG 3.25Å; S61-E65 WeakPolarHBondContact O-CG 3.45Å; S61-E65 PolarHBondContact O-N 2.96Å; S61-E65 VanDerWaalsContact O-OE1 3.13Å; S61-E65 PolarHBondContact OG-OE1 3.16Å; I62-E65 PolarHBondContact N-OE1 2.81Å
66	T	53.1	Low	49.7	Very low	95 Å²	95	94.5 Å²	94.5	58%	0.583	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	19.8	172.8	66	0	0	0	0	113.7	I62 A64	I62-T66 WeakPolarHBondContact O-CB 3.11Å; I62-T66 WeakPolarHBondContact O-CG2 3.32Å; I62-T66 PolarHBondContact O-N 2.73Å; I62-T66 PolarHBondContact O-OG1 3.45Å; A64-T66 PolarHBondContact O-N 3.34Å
67	G	40.7	Very low	49.8	Very low	24 Å²	24	93.3 Å²	93.3	25%	0.247	54%	0.542	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.1	13	-173.4	0	0	0	0	0	116.1	K63 A64	K63-G67 WeakPolarHBondContact O-CA 3.39Å; K63-G67 PolarHBondContact O-N 2.89Å; A64-G67 PolarHBondContact O-N 2.79Å; A64-G67 VanDerWaalsContact O-N 3.08Å
68	G	47.3	Very low	50	Low	67 Å²	67	90.8 Å²	90.8	69%	0.691	52%	0.521	S	S	*	.	S	Bend	trans	-115.7	8.3	170.9	0	0	0	0	0	114.2	A64	A64-G68 PolarHBondContact O-N 3.06Å
69	L	50.2	Low	49.5	Very low	100 Å²	100	83.5 Å²	83.5	52%	0.524	51%	0.512	S	S	.	.			trans	-96.7	109.4	174.8	-46.1	-169	0	0	0	108.2	S71 L75	L69-S71 PolarHBondContact O-N 3.44Å; L69-L75 HydrophobicContact CD1-CD1 3.97Å; L69-L75 HydrophobicContact CD1-CG 4.28Å; L69-L75 HydrophobicContact CD2-CD1 3.42Å; L69-L75 VanDerWaalsContact CD2-CD1 3.42Å; L69-L75 HydrophobicContact CD2-CD2 4.35Å; L69-L75 HydrophobicContact CD2-CG 3.81Å; L69-L75 HydrophobicContact CG-CD1 4.36Å
70	D	51.6	Low	49.3	Very low	75 Å²	75	82 Å²	82	40%	0.401	51%	0.514	S	S	.	.			trans	-64.8	131.2	162.8	-174.2	-15.9	0	0	0	107.5	R72 V73	D70-R72 PolarHBondContact O-N 3.41Å; D70-R72 PolarHBondContact OD1-N 3.25Å; D70-V73 HydrophobicContact CB-CB 4.29Å; D70-V73 HydrophobicContact CB-CG2 4.2Å; D70-V73 CarbonylContact O-C 3.5Å; D70-V73 WeakPolarHBondContact O-CA 3.5Å; D70-V73 PolarHBondContact O-N 2.96Å; D70-V73 VanDerWaalsContact O-O 3.07Å
71	S	58.9	Low	49.1	Very low	120 Å²	120	81.1 Å²	81.1	84%	0.839	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-17.1	167.9	46.5	0	0	0	0	115.4	L69	L69-S71 PolarHBondContact O-N 3.44Å
72	R	52	Low	48.9	Very low	178 Å²	178	81.8 Å²	81.8	67%	0.672	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-14.2	175.5	-60.8	164.3	177.2	165.7	-3.8	113.9	D70	D70-R72 PolarHBondContact O-N 3.41Å; D70-R72 PolarHBondContact OD1-N 3.25Å
73	V	53.9	Low	48.2	Very low	58 Å²	58	89.8 Å²	89.8	35%	0.352	56%	0.562	S	S	.	*	B	Isolated β-bridge	trans	-111	88.4	176	178.1	0	0	0	0	107.6	D70 L75	D70-V73 HydrophobicContact CB-CB 4.29Å; D70-V73 HydrophobicContact CB-CG2 4.2Å; D70-V73 CarbonylContact O-C 3.5Å; D70-V73 WeakPolarHBondContact O-CA 3.5Å; D70-V73 PolarHBondContact O-N 2.96Å; D70-V73 VanDerWaalsContact O-O 3.07Å; V73-L75 PolarHBondContact O-N 3.42Å
74	S	54.9	Low	47.8	Very low	24 Å²	24	90.2 Å²	90.2	17%	0.168	59%	0.585	C	S	.	*			trans	-66	136.2	171.5	177.9	0	0	0	0	110.4	V76 S1127 Y1129	S74-V76 VanDerWaalsContact C-N 3.27Å; S74-V76 WeakPolarHBondContact CB-O 3.42Å; S74-V76 PolarHBondContact OG-N 2.85Å; S74-V76 PolarHBondContact OG-O 3.07Å; S74-S1127 WeakPolarHBondContact O-CB 3.45Å; S74-S1127 PolarHBondContact O-OG 3.46Å; S74-Y1129 WeakPolarHBondContact OG-CE1 3.35Å; S74-Y1129 VanDerWaalsContact OG-CZ 3.25Å
75	L	61.5	Low	47.1	Very low	129 Å²	129	91.3 Å²	91.3	68%	0.675	59%	0.594	S	S	*	*	S	Bend	trans	-81.6	-5.9	168.3	-69.6	-167.5	0	0	0	113.6	L69 V73	L69-L75 HydrophobicContact CD1-CD1 3.97Å; L69-L75 HydrophobicContact CD1-CG 4.28Å; L69-L75 HydrophobicContact CD2-CD1 3.42Å; L69-L75 VanDerWaalsContact CD2-CD1 3.42Å; L69-L75 HydrophobicContact CD2-CD2 4.35Å; L69-L75 HydrophobicContact CD2-CG 3.81Å; L69-L75 HydrophobicContact CG-CD1 4.36Å; V73-L75 PolarHBondContact O-N 3.42Å
76	V	60.4	Low	46.1	Very low	76 Å²	76	89.1 Å²	89.1	46%	0.461	59%	0.591	S	S	.	*	S	Bend	trans	-101.2	137	171.1	-169.3	0	0	0	0	108	S74 Y1129	S74-V76 VanDerWaalsContact C-N 3.27Å; S74-V76 WeakPolarHBondContact CB-O 3.42Å; S74-V76 PolarHBondContact OG-N 2.85Å; S74-V76 PolarHBondContact OG-O 3.07Å; V76-Y1129 WeakPolarHBondContact O-CE2 3.1Å; V76-Y1129 PolarHBondContact O-OH 3.3Å
77	P	45.9	Very low	45	Very low	92 Å²	92	88 Å²	88	60%	0.597	59%	0.588	S	S	*	*			trans	-66	156	169.2	-23.4	35.7	0	0	0	112.8	G79 Y1129	P77-G79 PolarHBondContact O-N 3.01Å; P77-Y1129 VanDerWaalsContact C-OH 3.26Å; P77-Y1129 PolarHBondContact O-OH 3.29Å
78	A	43.3	Very low	44.8	Very low	38 Å²	38	91.2 Å²	91.2	31%	0.314	60%	0.602	S	S	.	*	S	Bend	trans	-76.4	98.8	-169.6	0	0	0	0	0	110.9	Y1129 T1132	A78-Y1129 VanDerWaalsContact CA-CE2 3.44Å; A78-Y1129 HydrophobicContact CB-CD2 4.11Å; A78-Y1129 HydrophobicContact CB-CE2 3.6Å; A78-Y1129 VanDerWaalsContact N-CE2 3.33Å; A78-T1132 HydrophobicContact CB-CG2 3.86Å; A78-T1132 WeakPolarHBondContact O-CG2 3.44Å
79	G	33.9	Very low	44.1	Very low	59 Å²	59	92 Å²	92	61%	0.608	60%	0.597	S	S	*	*	S	Bend	trans	88.7	103.3	-165.5	0	0	0	0	0	109.7	P77	P77-G79 PolarHBondContact O-N 3.01Å
80	G	37.7	Very low	43.1	Very low	56 Å²	56	91.1 Å²	91.1	58%	0.577	60%	0.6	S	S	*	*			trans	-178.6	51.3	-169.3	0	0	0	0	0	112.5
81	G	36.6	Very low	42.1	Very low	86 Å²	86	89.9 Å²	89.9	89%	0.887	60%	0.6	S	S	*	*			trans	-73.7	140.8	173.7	0	0	0	0	0	111.6
82	G	44.3	Very low	41	Very low	68 Å²	68	86.9 Å²	86.9	70%	0.701	57%	0.574	S	S	*	*			trans	105.3	74.1	165.1	0	0	0	0	0	116.9	G84	G82-G84 PolarHBondContact O-N 3.13Å
83	W	37.5	Very low	39.9	Very low	276 Å²	276	82.8 Å²	82.8	100%	1.045	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	78.4	146.8	-81	94.3	0	0	0	108.3
84	G	39	Very low	39.1	Very low	74 Å²	74	81.4 Å²	81.4	76%	0.763	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166.3	-9.1	-167.9	0	0	0	0	0	120.7	G82	G82-G84 PolarHBondContact O-N 3.13Å
85	A	32.6	Very low	37.8	Very low	93 Å²	93	81.2 Å²	81.2	77%	0.769	55%	0.553	S	S	*	*			trans	-163.1	147.2	170.8	0	0	0	0	0	112.4
86	P	33.7	Very low	36.2	Very low	83 Å²	83	77.7 Å²	77.7	54%	0.539	54%	0.537	S	S	.	.			trans	-101	123.4	178.4	34.8	-29.4	0	0	0	114.6	K467	P86-K467 HydrophobicContact CG-CD 3.99Å
87	S	30.2	Very low	34.6	Very low	73 Å²	73	76.8 Å²	76.8	51%	0.51	53%	0.534	S	S	.	.			trans	59.4	122.1	142.6	66.4	0	0	0	0	121.2
88	T	35.3	Very low	33.7	Very low	90 Å²	90	76.5 Å²	76.5	55%	0.552	53%	0.534	S	S	*	.				-148.6	147.9	117.4	-2.7	0	0	0	0	111	L465	T88-L465 WeakPolarHBondContact CG2-O 3.13Å
89	S	32.4	Very low	33	Very low	83 Å²	83	80.6 Å²	80.6	58%	0.58	56%	0.555	S	S	*	*			trans	-24.4	157.9	176.5	44.5	0	0	0	0	121
90	S	30.4	Very low	32.9	Very low	83 Å²	83	81.4 Å²	81.4	58%	0.58	55%	0.549	S	S	*	.			cis	154.7	99.6	-29.9	51.7	0	0	0	0	110.4
91	A	29.2	Very low	32.8	Very low	49 Å²	49	81.2 Å²	81.2	41%	0.405	54%	0.536	S	S	.	.			trans	-174.2	134.2	174.7	0	0	0	0	0	115.2	R1138 P1139	A91-R1138 VanDerWaalsContact C-NH2 3.34Å; A91-R1138 PolarHBondContact O-NH2 3.17Å; A91-P1139 VanDerWaalsContact C-CD 3.48Å; A91-P1139 VanDerWaalsContact O-CD 3.26Å; A91-P1139 WeakPolarHBondContact O-CD 3.01Å
92	D	36.7	Very low	32.7	Very low	56 Å²	56	79.9 Å²	79.9	30%	0.299	51%	0.509	S	S	.	.			cis	-152.9	130	-23.8	-33.3	-83.4	0	0	0	108.9	R1138 Q1140	D92-R1138 VanDerWaalsContact C-CB 3.42Å; D92-R1138 VanDerWaalsContact CB-NH1 3.32Å; D92-R1138 WeakPolarHBondContact O-CB 3.45Å; D92-R1138 VanDerWaalsContact O-CD 3.28Å; D92-R1138 WeakPolarHBondContact O-CD 3.23Å; D92-R1138 PolarHBondContact O-NH1 3.21Å; D92-R1138 IonicContact OD2-CZ 2.81Å; D92-R1138 IonicContact OD2-NH1 2.64Å; D92-R1138 PolarHBondContact OD2-NH1 3.19Å; D92-R1138 IonicContact OD2-NH2 3.09Å; D92-R1138 PolarHBondContact OD2-NH2 3.12Å; D92-Q1140 HydrophobicContact CB-CB 3.86Å; D92-Q1140 HydrophobicContact CB-CG 4.13Å; D92-Q1140 PolarHBondContact OD1-NE2 3.21Å
93	Q	29.4	Very low	32.2	Very low	93 Å²	93	79.2 Å²	79.2	44%	0.435	49%	0.493	S	S	.	.			trans	-75.3	-172.8	174.2	-65.9	-126.7	-44.8	0	0	111.5	M1137 R1138 P1139 Q1140	Q93-M1137 WeakPolarHBondContact CA-O 3.2Å; Q93-M1137 WeakPolarHBondContact CB-O 3.33Å; Q93-M1137 WeakPolarHBondContact CG-O 3.45Å; Q93-M1137 PolarHBondContact NE2-O 3.36Å; Q93-M1137 VanDerWaalsContact NE2-O 3.12Å; Q93-R1138 VanDerWaalsContact CG-C 3.49Å; Q93-R1138 VanDerWaalsContact CG-O 3.27Å; Q93-R1138 WeakPolarHBondContact CG-O 3Å; Q93-R1138 PolarHBondContact NE2-O 3.11Å; Q93-P1139 VanDerWaalsContact N-C 3.29Å; Q93-Q1140 WeakPolarHBondContact CB-O 3.38Å
94	P	35.4	Very low	32.2	Very low	28 Å²	28	71.6 Å²	71.6	18%	0.182	47%	0.472	C	S	.	.			cis	-109.9	-113.7	-31.7	8.1	14.1	0	0	0	109.1	M1137	P94-M1137 VanDerWaalsContact O-CB 3.31Å; P94-M1137 WeakPolarHBondContact O-CB 3.04Å; P94-M1137 WeakPolarHBondContact O-CG 3.28Å
95	P	29.4	Very low	32.2	Very low	20 Å²	20	70.9 Å²	70.9	13%	0.13	45%	0.454	C	S	.	.				-115	160.6	-55.5	-2.4	21.1	0	0	0	118.4	I2256 G2257 F2258	P95-I2256 VanDerWaalsContact CB-C 3.43Å; P95-I2256 WeakPolarHBondContact CG-O 3.3Å; P95-G2257 WeakPolarHBondContact CD-O 3.36Å; P95-G2257 CarbonylContact O-C 3.52Å; P95-G2257 VanDerWaalsContact O-C 3.27Å; P95-F2258 WeakPolarHBondContact O-CA 3.17Å; P95-F2258 VanDerWaalsContact O-CD1 3.27Å; P95-F2258 WeakPolarHBondContact O-CD1 2.93Å; P95-F2258 WeakPolarHBondContact O-CG 3.38Å; P95-F2258 PolarHBondContact O-N 3.06Å
96	V	26.8	Very low	32.4	Very low	55 Å²	55	71.9 Å²	71.9	33%	0.333	45%	0.451	S	S	.	.			trans	-21.4	172.7	148.6	-59.6	0	0	0	0	120	R1135 Q1136 G2257 F2258	V96-R1135 WeakPolarHBondContact CG1-O 3.45Å; V96-Q1136 PolarHBondContact N-O 3.15Å; V96-Q1136 VanDerWaalsContact N-O 3.08Å; V96-G2257 CarbonylContact O-C 2.95Å; V96-G2257 PolarHBondContact O-N 3.37Å; V96-F2258 PolarHBondContact O-N 2.87Å
97	S	26.9	Very low	32.2	Very low	57 Å²	57	72.7 Å²	72.7	40%	0.399	45%	0.454	S	S	.	.			trans	95.1	82.2	154.7	-60.3	0	0	0	0	117.3
98	S	26.9	Very low	32.6	Very low	86 Å²	86	73.7 Å²	73.7	60%	0.601	46%	0.461	S	S	*	.				75.5	156.9	109	66.6	0	0	0	0	120.5
99	T	28.2	Very low	32.2	Very low	124 Å²	124	74.4 Å²	74.4	76%	0.761	47%	0.465	S	S	*	.			trans	64.5	156.8	169.9	46.6	0	0	0	0	114.1
100	T	31.9	Very low	32.3	Very low	77 Å²	77	77.8 Å²	77.8	47%	0.472	48%	0.476	S	S	.	.			cis	-143.6	167.5	10	-26.7	0	0	0	0	110.6
101	T	35.3	Very low	32.3	Very low	51 Å²	51	78.5 Å²	78.5	31%	0.313	48%	0.478	S	S	.	.			trans	58.7	149.9	157.3	64.8	0	0	0	0	119	K795	T101-K795 PolarHBondContact OG1-N 2.94Å
102	D	35.1	Very low	32.5	Very low	59 Å²	59	81.1 Å²	81.1	32%	0.316	49%	0.494	S	S	.	.			cis	-161.2	138	-33.8	-104.3	-33.8	0	0	0	102.9	E796 D797	D102-E796 HydrophobicContact CB-CG 3.9Å; D102-D797 VanDerWaalsContact O-CB 3.3Å; D102-D797 WeakPolarHBondContact O-CB 3.23Å; D102-D797 PolarHBondContact O-N 2.99Å
103	S	34.3	Very low	32.4	Very low	53 Å²	53	83.6 Å²	83.6	37%	0.371	51%	0.511	S	S	.	.				-147.3	158.7	74.8	62.1	0	0	0	0	114.8	D797	S103-D797 PolarHBondContact N-OD2 3.14Å; S103-D797 WeakPolarHBondContact OG-CB 3.37Å; S103-D797 PolarHBondContact OG-OD2 2.69Å
104	L	36.5	Very low	32.5	Very low	116 Å²	116	86.6 Å²	86.6	61%	0.607	53%	0.53	S	S	*	.			cis	40.7	90.5	-13.1	-60.2	-176.3	0	0	0	118.9
105	P	38.9	Very low	32.2	Very low	59 Å²	59	88.6 Å²	88.6	38%	0.383	56%	0.555	S	S	.	*				-63.4	130.9	124.3	-0.1	19	0	0	0	107.5	H798	P105-H798 VanDerWaalsContact CA-CE1 3.46Å; P105-H798 WeakPolarHBondContact CA-CE1 3.42Å; P105-H798 WeakPolarHBondContact CB-NE2 3.29Å
106	V	37.9	Very low	32.4	Very low	115 Å²	115	90.8 Å²	90.8	70%	0.697	58%	0.576	S	S	*	*				42	98.9	128.9	-174	0	0	0	0	114
107	V	29.3	Very low	32.8	Very low	99 Å²	99	93.2 Å²	93.2	60%	0.6	59%	0.586	S	S	*	*				57.7	168	50.3	-149.5	0	0	0	0	106.6	T109	V107-T109 HydrophobicContact CG1-CG2 4.48Å
108	S	39.1	Very low	33.3	Very low	94 Å²	94	97.5 Å²	97.5	66%	0.657	59%	0.594	S	S	*	*			cis	-132	126.9	9.6	-53.1	0	0	0	0	110.2
109	T	27.3	Very low	33.9	Very low	105 Å²	105	97.9 Å²	97.9	64%	0.644	60%	0.597	S	S	*	*				13.5	154	109.2	57.1	0	0	0	0	119.1	V107	V107-T109 HydrophobicContact CG1-CG2 4.48Å
110	L	34.1	Very low	34.3	Very low	155 Å²	155	101 Å²	101	81%	0.812	60%	0.603	S	S	*	*			trans	-12.8	135.2	142.2	-59.4	83.3	0	0	0	113.7
111	P	29.1	Very low	34.6	Very low	97 Å²	97	103 Å²	103	63%	0.63	62%	0.615	S	S	*	*				-134.1	-176.5	64.6	40.9	-25	0	0	0	113.3	R821	P111-R821 PolarHBondContact O-NH2 3.14Å
112	S	35.2	Very low	34.6	Very low	105 Å²	105	106.9 Å²	106.9	73%	0.734	64%	0.639	S	S	*	*			cis	-146.3	164.6	16.2	-149.2	0	0	0	0	115
113	V	33.7	Very low	34.7	Very low	107 Å²	107	107.4 Å²	107.4	65%	0.648	66%	0.658	S	S	*	*			trans	-57.6	151.8	176.6	-75.4	0	0	0	0	115.1
114	N	30.6	Very low	34.7	Very low	156 Å²	156	112.4 Å²	112.4	83%	0.834	68%	0.681	S	S	*	*				25.5	140.6	122.7	-34.1	-19.8	0	0	0	118.3
115	G	30.8	Very low	34.8	Very low	70 Å²	70	112.3 Å²	112.3	72%	0.722	69%	0.69	S	S	*	*			cis	146.6	171.6	2.5	0	0	0	0	0	112.2
116	A	32.5	Very low	34.6	Very low	67 Å²	67	116.5 Å²	116.5	55%	0.554	71%	0.708	S	S	*	*			trans	68.2	114	-174.3	0	0	0	0	0	114.5
117	L	35.8	Very low	34.5	Very low	106 Å²	106	118.1 Å²	118.1	56%	0.555	71%	0.708	S	S	*	*				78.8	159.9	68.9	-70.7	167.8	0	0	0	112.2	A2292 G2293	L117-A2292 CarbonylContact C-O 3.49Å; L117-A2292 CarbonylContact O-C 3.5Å; L117-A2292 WeakPolarHBondContact O-CA 3.25Å; L117-G2293 CarbonylContact C-O 3.37Å; L117-G2293 VanDerWaalsContact C-O 3.25Å; L117-G2293 PolarHBondContact O-N 2.97Å
118	Y	37.8	Very low	35.3	Very low	146 Å²	146	119 Å²	119	57%	0.573	72%	0.716	S	S	*	*			cis	-122.8	-107.1	11.4	-121.4	-59.5	0	0	0	115.7	A2292 G2293	Y118-A2292 VanDerWaalsContact N-C 3.27Å; Y118-A2292 PolarHBondContact N-O 3.22Å; Y118-G2293 PolarHBondContact N-O 2.87Å
119	S	38.9	Very low	34.9	Very low	94 Å²	94	117.3 Å²	117.3	66%	0.657	71%	0.708	S	S	*	*			trans	-177	141.8	-151.8	169.4	0	0	0	0	115
120	E	35.8	Very low	35.2	Very low	191 Å²	191	122.3 Å²	122.3	89%	0.893	72%	0.716	S	S	*	*			trans	-160	174.1	137	-139.4	173	-173.8	0	0	111.9
121	T	37.8	Very low	35.3	Very low	118 Å²	118	120.3 Å²	120.3	72%	0.724	71%	0.711	S	S	*	*			trans	-159.1	165.5	-155.4	-38.8	0	0	0	0	116.3
122	V	36.8	Very low	35.6	Very low	133 Å²	133	123 Å²	123	81%	0.806	71%	0.712	S	S	*	*			trans	97.1	130	156.6	-165.7	0	0	0	0	119.3
123	G	36.2	Very low	35.5	Very low	70 Å²	70	126 Å²	126	72%	0.722	71%	0.713	S	S	*	*			trans	177.2	138.7	164.9	0	0	0	0	0	111.7
124	N	34.3	Very low	35.4	Very low	157 Å²	157	124.8 Å²	124.8	84%	0.84	71%	0.714	S	S	*	*			trans	-128.3	154.9	-167.8	-54.7	-36	0	0	0	113.9
125	S	39.1	Very low	35.5	Very low	115 Å²	115	128.6 Å²	128.6	80%	0.804	72%	0.718	S	S	*	*				-171.7	154.5	124.9	-157.2	0	0	0	0	113.5
126	L	35.2	Very low	35.6	Very low	146 Å²	146	128.8 Å²	128.8	76%	0.764	72%	0.721	S	S	*	*			trans	-136.5	169.1	-179.5	-98.1	77.3	0	0	0	109.7
127	E	35.7	Very low	35.5	Very low	149 Å²	149	133.4 Å²	133.4	70%	0.696	74%	0.736	S	S	*	*			cis	-115.8	-114.2	-1	-156.4	170.9	-71.5	0	0	109.1	A129	E127-A129 WeakPolarHBondContact OE2-CB 3.18Å
128	P	44.9	Very low	35.2	Very low	117 Å²	117	133.4 Å²	133.4	76%	0.76	75%	0.745	S	S	*	*			cis	-89.8	170.3	-20.6	13.2	9.5	0	0	0	112
129	A	30.5	Very low	34.9	Very low	60 Å²	60	133.8 Å²	133.8	50%	0.496	76%	0.757	S	S	.	*			cis	95	118.6	17.3	0	0	0	0	0	116.9	E127	E127-A129 WeakPolarHBondContact OE2-CB 3.18Å
130	Y	34.6	Very low	34.6	Very low	210 Å²	210	133.9 Å²	133.9	82%	0.824	75%	0.748	S	S	*	*				-160.4	145.1	105.6	-113.3	-68.4	0	0	0	114.5
131	T	37	Very low	34.5	Very low	112 Å²	112	128.7 Å²	128.7	69%	0.687	75%	0.746	S	S	*	*			trans	65.3	128	162.1	57.4	0	0	0	0	119.9
132	K	35	Very low	34.4	Very low	154 Å²	154	125.8 Å²	125.8	67%	0.67	73%	0.728	S	S	*	*			cis	-164.9	151.6	-15	-132	168.7	-179.3	-179.3	0	111.5
133	F	32.3	Very low	34	Very low	168 Å²	168	126.6 Å²	126.6	74%	0.737	73%	0.733	S	S	*	*			trans	56.2	103.6	162.3	-52.3	-47	0	0	0	116.8
134	A	32.7	Very low	34	Very low	82 Å²	82	126 Å²	126	68%	0.678	73%	0.728	S	S	*	*			cis	76.9	150.3	29.2	0	0	0	0	0	116.3
135	Y	31	Very low	34	Very low	235 Å²	235	122.5 Å²	122.5	92%	0.922	71%	0.711	S	S	*	*			trans	64.9	115.6	-178.3	-68.1	-86	0	0	0	117.8
136	G	33.9	Very low	33.8	Very low	75 Å²	75	118.9 Å²	118.9	77%	0.773	69%	0.686	S	S	*	*			trans	173.4	107.5	167.9	0	0	0	0	0	114.1
137	N	29.9	Very low	34	Very low	164 Å²	164	117.3 Å²	117.3	88%	0.877	68%	0.683	S	S	*	*			trans	-69.2	162.4	151.2	-105.5	-35.5	0	0	0	109.3
138	S	29.5	Very low	34.1	Very low	105 Å²	105	115.6 Å²	115.6	73%	0.734	68%	0.678	S	S	*	*	S	Bend	trans	77.2	159	173.8	77.3	0	0	0	0	117.7
139	D	32.7	Very low	33.7	Very low	155 Å²	155	116.5 Å²	116.5	83%	0.829	67%	0.67	S	S	*	*	S	Bend	trans	-72.4	169.8	-167.3	-93.1	-67.5	0	0	0	115.9
140	M	31.7	Very low	33.8	Very low	95 Å²	95	118.8 Å²	118.8	47%	0.468	67%	0.674	S	S	.	*			trans	78.8	76.9	149.4	-83.9	-77.7	-71.6	0	0	119.6	V142 S873 K874	M140-V142 HydrophobicContact CE-CG2 3.74Å; M140-S873 WeakPolarHBondContact CE-OG 3.41Å; M140-S873 PolarHBondContact SD-OG 2.99Å; M140-S873 VanDerWaalsContact SD-OG 3.35Å; M140-K874 HydrophobicContact SD-CD 4.41Å
141	G	33.2	Very low	33.8	Very low	83 Å²	83	111.9 Å²	111.9	86%	0.856	65%	0.654	S	S	*	*			trans	-45.4	-73.6	171.1	0	0	0	0	0	118.5
142	V	35.2	Very low	33.6	Very low	57 Å²	57	110.2 Å²	110.2	35%	0.345	65%	0.646	S	S	.	*			trans	72.6	113.8	176.6	-176.5	0	0	0	0	118.5	M140 G144	M140-V142 HydrophobicContact CE-CG2 3.74Å; V142-G144 VanDerWaalsContact CG1-C 3.42Å
143	T	30	Very low	33.6	Very low	149 Å²	149	108.6 Å²	108.6	91%	0.914	65%	0.649	S	S	*	*	S	Bend		-130.3	141.7	125.3	54	0	0	0	0	108.3
144	G	35.6	Very low	33.9	Very low	59 Å²	59	103.5 Å²	103.5	61%	0.608	64%	0.644	S	S	*	*	S	Bend	cis	-93.8	134.7	-10.8	0	0	0	0	0	112.8	V142	V142-G144 VanDerWaalsContact CG1-C 3.42Å
145	V	34.8	Very low	34.7	Very low	82 Å²	82	106.4 Å²	106.4	50%	0.497	65%	0.653	S	S	.	*			trans	42.9	125.1	153.3	-170.9	0	0	0	0	118.4	S870 K871	V145-S870 PolarHBondContact O-OG 2.67Å; V145-K871 VanDerWaalsContact O-CE 3.29Å; V145-K871 WeakPolarHBondContact O-CE 3.29Å; V145-K871 WeakPolarHBondContact O-CG 2.96Å
146	S	34.6	Very low	35.1	Very low	40 Å²	40	102.1 Å²	102.1	28%	0.28	65%	0.646	S	S	.	*			cis	173.7	162	-10	63.4	0	0	0	0	109.2	K871	S146-K871 VanDerWaalsContact N-CE 3.3Å; S146-K871 VanDerWaalsContact O-CD 3.32Å; S146-K871 WeakPolarHBondContact O-CD 3.3Å; S146-K871 VanDerWaalsContact O-CE 3.23Å; S146-K871 WeakPolarHBondContact O-CE 3.13Å; S146-K871 PolarHBondContact O-NZ 3.26Å; S146-K871 PolarHBondContact OG-NZ 3.4Å
147	T	38.2	Very low	35.5	Very low	112 Å²	112	100 Å²	100	69%	0.687	62%	0.624	S	S	*	*			trans	48	159.2	140.3	54.4	0	0	0	0	123.1
148	L	37.8	Very low	36	Very low	113 Å²	113	95.3 Å²	95.3	59%	0.592	60%	0.603	S	S	*	*			cis	-135.9	146.5	-13	-93.5	128.7	0	0	0	105.7	P179	L148-P179 VanDerWaalsContact O-CD 3.27Å; L148-P179 WeakPolarHBondContact O-CD 3.06Å; L148-P179 WeakPolarHBondContact O-CG 3.39Å
149	K	36.5	Very low	36.3	Very low	137 Å²	137	93.4 Å²	93.4	60%	0.596	59%	0.587	S	S	*	*				61.8	125.1	74.1	-75.9	-166.3	169	-175.7	0	117.1
150	D	33.9	Very low	36.4	Very low	108 Å²	108	92.7 Å²	92.7	58%	0.578	58%	0.576	S	S	*	*				52.9	112	127.5	-49.2	-34.9	0	0	0	121.8	P180	D150-P180 VanDerWaalsContact O-CB 3.27Å; D150-P180 WeakPolarHBondContact O-CB 2.98Å
151	T	33.5	Very low	36.8	Very low	65 Å²	65	92.4 Å²	92.4	40%	0.399	58%	0.58	S	S	.	*				40.4	112	96.9	-50.6	0	0	0	0	115.5
152	S	32.9	Very low	36.6	Very low	77 Å²	77	92.3 Å²	92.3	54%	0.538	56%	0.56	S	S	.	*			cis	-153.9	168.1	28.6	-72.3	0	0	0	0	114.7	D182	S152-D182 WeakPolarHBondContact CA-OD2 3.14Å; S152-D182 VanDerWaalsContact CB-OD1 3.3Å; S152-D182 WeakPolarHBondContact CB-OD1 3.1Å; S152-D182 PolarHBondContact OG-OD1 2.79Å
153	V	35	Very low	36.3	Very low	119 Å²	119	96.6 Å²	96.6	72%	0.721	57%	0.574	S	S	*	*			trans	26.6	129	145.2	-177.3	0	0	0	0	118.4	D182	V153-D182 PolarHBondContact N-OD2 3.41Å
154	G	39.7	Very low	36.4	Very low	62 Å²	62	93.9 Å²	93.9	64%	0.639	56%	0.557	S	S	*	*			cis	114.8	125.4	17.9	0	0	0	0	0	111.4	N156	G154-N156 PolarHBondContact O-N 2.72Å
155	V	49.7	Very low	36.4	Very low	143 Å²	143	97.5 Å²	97.5	87%	0.867	56%	0.558	S	S	*	*	S	Bend	trans	-96.1	73.2	-178.8	-168.9	0	0	0	0	110.6
156	N	37.8	Very low	36.2	Very low	145 Å²	145	101.6 Å²	101.6	78%	0.775	57%	0.572	S	S	*	*			trans	59.8	136.5	-174	-64.3	-33	0	0	0	115.4	G154 K1707	G154-N156 PolarHBondContact O-N 2.72Å; N156-K1707 PolarHBondContact O-NZ 3.01Å
157	G	42.9	Very low	36	Very low	30 Å²	30	103.1 Å²	103.1	31%	0.309	59%	0.587	S	S	.	*			trans	-80.4	-120.2	177.3	0	0	0	0	0	110.8	K1707	G157-K1707 VanDerWaalsContact C-CD 3.49Å; G157-K1707 CarbonylContact C-O 3.37Å; G157-K1707 WeakPolarHBondContact CA-O 2.9Å; G157-K1707 WeakPolarHBondContact O-CD 3.14Å; G157-K1707 PolarHBondContact O-NZ 3.12Å
158	P	40.4	Very low	35.9	Very low	65 Å²	65	104.5 Å²	104.5	42%	0.422	60%	0.595	S	S	.	*			cis	-132	151.6	-7	36.9	-21.5	0	0	0	114.5	H1706 K1707	P158-H1706 VanDerWaalsContact CD-CB 3.47Å; P158-H1706 CarbonylContact O-C 2.92Å; P158-H1706 VanDerWaalsContact O-CA 3.27Å; P158-H1706 WeakPolarHBondContact O-CA 3.3Å; P158-H1706 PolarHBondContact O-N 2.88Å; P158-K1707 CarbonylContact C-O 3.1Å; P158-K1707 WeakPolarHBondContact CA-O 3.16Å; P158-K1707 PolarHBondContact O-N 2.91Å
159	V	36.4	Very low	35.5	Very low	66 Å²	66	107.2 Å²	107.2	40%	0.4	60%	0.602	S	S	.	*	B	Isolated β-bridge	trans	94.9	136.7	166.2	-177.5	0	0	0	0	119.8	K1707 S1708	V159-K1707 PolarHBondContact N-O 3.27Å; V159-K1707 VanDerWaalsContact N-O 3.08Å; V159-K1707 CarbonylContact O-C 2.98Å; V159-K1707 WeakPolarHBondContact O-CA 3.26Å; V159-S1708 CarbonylContact C-O 3.48Å; V159-S1708 PolarHBondContact O-N 3.13Å
160	K	33.8	Very low	35.4	Very low	139 Å²	139	106.6 Å²	106.6	60%	0.604	61%	0.605	S	S	*	*			cis	-169.3	168.6	-23.4	-95.5	-168.7	-156.4	82.1	0	110.2	S1708	K160-S1708 VanDerWaalsContact CA-O 3.25Å; K160-S1708 WeakPolarHBondContact CA-O 3.33Å; K160-S1708 PolarHBondContact N-O 2.78Å
161	T	39.9	Very low	35.4	Very low	89 Å²	89	106.9 Å²	106.9	55%	0.546	60%	0.601	S	S	.	*			trans	80.5	118	134	42.7	0	0	0	0	125	Q1709 S1710	T161-Q1709 PolarHBondContact N-O 2.97Å; T161-S1710 CarbonylContact C-O 3.52Å; T161-S1710 WeakPolarHBondContact CA-O 3.25Å
162	N	29.2	Very low	35.3	Very low	82 Å²	82	109.5 Å²	109.5	44%	0.439	62%	0.617	S	S	.	*				59.3	139.2	119.9	-74.6	-23.3	0	0	0	125.8	S1710 S1711	N162-S1710 VanDerWaalsContact N-C 3.27Å; N162-S1710 PolarHBondContact N-O 3.04Å; N162-S1710 PolarHBondContact OD1-O 3.22Å; N162-S1711 PolarHBondContact OD1-N 2.91Å; N162-S1711 PolarHBondContact OD1-O 3.35Å
163	K	30	Very low	35.1	Very low	147 Å²	147	110.7 Å²	110.7	64%	0.639	63%	0.625	S	S	*	*			trans	71.8	125.4	133.8	-77.4	172.5	-178.1	179.9	0	122.8	G1712	K163-G1712 WeakPolarHBondContact CG-O 3.37Å
164	T	31.3	Very low	34.8	Very low	91 Å²	91	109.6 Å²	109.6	56%	0.558	62%	0.623	S	S	*	*				74.5	128.7	128.4	-55.2	0	0	0	0	120.4
165	E	35.3	Very low	34.6	Very low	135 Å²	135	115.2 Å²	115.2	63%	0.631	63%	0.632	S	S	*	*			trans	48.6	85.7	156.6	-67.8	169.8	171.1	0	0	120.1
166	E	31.4	Very low	33.6	Very low	169 Å²	169	112.9 Å²	112.9	79%	0.79	62%	0.615	S	S	*	*			trans	-142.5	-166.2	151.9	-131	-171.3	165.6	0	0	115.3	R1715	E166-R1715 VanDerWaalsContact O-CZ 3.29Å; E166-R1715 PolarHBondContact O-NH1 2.83Å; E166-R1715 PolarHBondContact O-NH2 3.09Å
167	A	31.2	Very low	33.3	Very low	72 Å²	72	113.8 Å²	113.8	60%	0.595	62%	0.619	S	S	*	*			trans	-95.7	172.3	-144.3	0	0	0	0	0	116.4
168	V	35	Very low	32.7	Very low	141 Å²	141	121.3 Å²	121.3	86%	0.855	64%	0.643	S	S	*	*			trans	71.4	150.4	136.1	163.2	0	0	0	0	119.8
169	K	29.7	Very low	32.9	Very low	169 Å²	169	121.4 Å²	121.4	74%	0.735	64%	0.643	S	S	*	*			trans	-92.7	145.5	164.9	-44.3	170.4	174.7	-175.9	0	108.6
170	D	34.5	Very low	32.9	Very low	124 Å²	124	122.5 Å²	122.5	66%	0.663	65%	0.652	S	S	*	*				172.3	150.5	101.1	-95.5	-21.1	0	0	0	112.9
171	K	34.5	Very low	32.9	Very low	114 Å²	114	118.6 Å²	118.6	50%	0.496	64%	0.642	S	S	.	*			trans	63.4	121.9	146.3	-73.7	-160.1	177	-152	0	123.6	S887	K171-S887 WeakPolarHBondContact CE-OG 3.28Å; K171-S887 PolarHBondContact NZ-O 3.28Å; K171-S887 PolarHBondContact NZ-OG 3.42Å
172	V	29.8	Very low	32.8	Very low	121 Å²	121	116.7 Å²	116.7	73%	0.733	63%	0.629	S	S	*	*				91.1	98.4	122	173.1	0	0	0	0	119.8
173	S	29.1	Very low	33	Very low	102 Å²	102	121.7 Å²	121.7	71%	0.713	65%	0.646	S	S	*	*				87.4	140.6	123	-161.1	0	0	0	0	123.4
174	S	29.7	Very low	33.5	Very low	95 Å²	95	120.5 Å²	120.5	66%	0.664	65%	0.653	S	S	*	*			trans	58.4	99.3	145.3	52.4	0	0	0	0	121.9
175	Q	34	Very low	33.8	Very low	180 Å²	180	119.5 Å²	119.5	84%	0.841	66%	0.662	S	S	*	*				73.4	107.1	128.6	-59.7	-161.9	16.5	0	0	121.8
176	L	29.1	Very low	34.1	Very low	95 Å²	95	118.5 Å²	118.5	50%	0.497	67%	0.67	S	S	.	*				67.3	94.1	114.3	-162.2	80.7	0	0	0	120
177	L	31.1	Very low	34.4	Very low	164 Å²	164	115.6 Å²	115.6	86%	0.859	67%	0.668	S	S	*	*				-171.9	171.7	118.8	-97.9	160.9	0	0	0	111.6
178	K	30.4	Very low	34.5	Very low	188 Å²	188	115.6 Å²	115.6	82%	0.817	68%	0.675	S	S	*	*			trans	-169.3	170.3	-155.9	-160	-177.5	-178.8	-178.5	0	112
179	P	45.1	Very low	34.6	Very low	67 Å²	67	111.8 Å²	111.8	44%	0.435	66%	0.664	S	S	.	*				-96.1	-160.4	-71.1	39.9	-23.8	0	0	0	111	L148	L148-P179 VanDerWaalsContact O-CD 3.27Å; L148-P179 WeakPolarHBondContact O-CD 3.06Å; L148-P179 WeakPolarHBondContact O-CG 3.39Å
180	P	36.1	Very low	35.1	Very low	88 Å²	88	112.3 Å²	112.3	57%	0.571	67%	0.674	S	S	*	*				-138	-154.4	76.4	25.7	-1.2	0	0	0	114	D150	D150-P180 VanDerWaalsContact O-CB 3.27Å; D150-P180 WeakPolarHBondContact O-CB 2.98Å
181	S	34.8	Very low	35.2	Very low	58 Å²	58	111 Å²	111	41%	0.406	68%	0.68	S	S	.	*			trans	75.8	150.7	-176.7	-72.9	0	0	0	0	117.5
182	D	36.7	Very low	35.2	Very low	49 Å²	49	109.4 Å²	109.4	26%	0.262	69%	0.689	S	S	.	*			cis	-159.8	-179.2	-19.5	-114.7	-55.1	0	0	0	111.7	S152 V153	S152-D182 WeakPolarHBondContact CA-OD2 3.14Å; S152-D182 VanDerWaalsContact CB-OD1 3.3Å; S152-D182 WeakPolarHBondContact CB-OD1 3.1Å; S152-D182 PolarHBondContact OG-OD1 2.79Å; V153-D182 PolarHBondContact N-OD2 3.41Å
183	K	33.5	Very low	35.6	Very low	186 Å²	186	109 Å²	109	81%	0.809	68%	0.682	S	S	*	*			trans	-154.7	-177.5	177.4	-101.9	179.3	-174.1	171	0	110.3
184	P	40.9	Very low	35.9	Very low	122 Å²	122	111.6 Å²	111.6	79%	0.792	68%	0.681	S	S	*	*			cis	-136	-175	5.4	44.2	-27.1	0	0	0	116.6
185	G	38.2	Very low	36.6	Very low	71 Å²	71	111.8 Å²	111.8	73%	0.732	68%	0.679	S	S	*	*			trans	91.9	129.5	149.9	0	0	0	0	0	117.2
186	S	40.6	Very low	36.5	Very low	114 Å²	114	111.7 Å²	111.7	80%	0.797	68%	0.677	S	S	*	*			cis	-171.7	157.7	-5.6	-133.7	0	0	0	0	108.4
187	S	38.8	Very low	36.9	Very low	108 Å²	108	116.4 Å²	116.4	76%	0.755	69%	0.694	S	S	*	*			cis	-171.1	162.8	-18.4	33	0	0	0	0	107.6
188	G	34	Very low	37.1	Very low	72 Å²	72	116.4 Å²	116.4	74%	0.742	69%	0.689	S	S	*	*			cis	-109.8	-100.6	-2	0	0	0	0	0	111.8
189	G	35.3	Very low	37.2	Very low	60 Å²	60	118.1 Å²	118.1	62%	0.619	69%	0.691	S	S	*	*			cis	74	151.5	2.5	0	0	0	0	0	114.7
190	L	39.9	Very low	36.4	Very low	180 Å²	180	119.5 Å²	119.5	94%	0.942	70%	0.699	S	S	*	*			cis	-147.3	171.4	-1.9	-64.4	173.4	0	0	0	107.7
191	A	37.6	Very low	36.4	Very low	96 Å²	96	121.7 Å²	121.7	79%	0.793	71%	0.711	S	S	*	*			cis	-143.2	159.7	0.1	0	0	0	0	0	109.6
192	A	35.1	Very low	36.5	Very low	82 Å²	82	124 Å²	124	68%	0.678	73%	0.725	S	S	*	*			trans	-166.8	169.6	175	0	0	0	0	0	113.2
193	N	37.8	Very low	36.4	Very low	113 Å²	113	127.9 Å²	127.9	60%	0.604	74%	0.744	S	S	*	*			trans	88.6	151.9	159.3	-49.8	-97.2	0	0	0	120.4	R877	N193-R877 PolarHBondContact OD1-NH2 2.88Å
194	K	34.2	Very low	36.7	Very low	155 Å²	155	126 Å²	126	67%	0.674	75%	0.748	S	S	*	*			trans	86.8	161.3	136	-91.8	178.7	174.3	-167	0	118.7
195	P	45.6	Very low	36.3	Very low	99 Å²	99	125 Å²	125	64%	0.643	74%	0.74	S	S	*	*				-149.9	-167.5	-67.2	41.9	-20.5	0	0	0	116.4
196	F	32.7	Very low	36.3	Very low	178 Å²	178	127 Å²	127	78%	0.781	74%	0.738	S	S	*	*			trans	77.8	161.3	150.3	-103.2	-95.6	0	0	0	120.1
197	F	35.8	Very low	36.8	Very low	195 Å²	195	127.8 Å²	127.8	86%	0.855	74%	0.744	S	S	*	*			trans	60.7	135.3	-159	-61.9	-80.2	0	0	0	113
198	Q	35.2	Very low	36.5	Very low	164 Å²	164	126 Å²	126	77%	0.766	73%	0.731	S	S	*	*	S	Bend	cis	-154.1	145.4	-4.1	-165.4	177.5	17.5	0	0	106
199	R	33	Very low	36.5	Very low	224 Å²	224	128.9 Å²	128.9	85%	0.845	74%	0.735	S	S	*	*			cis	-138.1	142.7	3.7	-143.9	176.8	-167.3	-177	4.6	108.3
200	P	28.8	Very low	36.4	Very low	95 Å²	95	129.4 Å²	129.4	62%	0.617	73%	0.733	S	S	*	*			trans	-96.6	-167.4	-179.6	39.4	-37	0	0	0	113.5
201	T	35.1	Very low	36	Very low	135 Å²	135	125.4 Å²	125.4	83%	0.828	72%	0.716	S	S	*	*			trans	89.8	142.2	159.5	51.3	0	0	0	0	120.8
202	P	38	Very low	35.8	Very low	105 Å²	105	124.2 Å²	124.2	68%	0.682	70%	0.699	S	S	*	*			trans	-132.3	-145.1	-166.7	31.9	-4	0	0	0	111
203	I	34.5	Very low	35.7	Very low	131 Å²	131	123.1 Å²	123.1	67%	0.672	68%	0.684	S	S	*	*			trans	73.6	131.1	161.1	-60.2	155.8	0	0	0	116
204	V	38.8	Very low	35.5	Very low	148 Å²	148	120.6 Å²	120.6	90%	0.897	68%	0.675	S	S	*	*			trans	-131	95.8	151.2	178.1	0	0	0	0	106.7
205	T	32.4	Very low	35.3	Very low	101 Å²	101	117.6 Å²	117.6	62%	0.62	66%	0.662	S	S	*	*			trans	-162.9	161.3	171.4	-27.3	0	0	0	0	107.9	S207	T205-S207 PolarHBondContact O-N 2.6Å
206	T	39.6	Very low	34.5	Very low	113 Å²	113	113.8 Å²	113.8	69%	0.693	64%	0.638	S	S	*	*	S	Bend	trans	54.5	47.5	171.5	59.5	0	0	0	0	116.7	S208	T206-S208 VanDerWaalsContact C-OG 3.29Å; T206-S208 WeakPolarHBondContact CA-OG 3.33Å; T206-S208 VanDerWaalsContact N-CB 3.34Å; T206-S208 PolarHBondContact N-OG 2.72Å
207	S	50.6	Low	34.5	Very low	130 Å²	130	111.5 Å²	111.5	91%	0.909	63%	0.63	S	S	*	*	S	Bend	trans	-175.5	35.8	134.6	-68.9	0	0	0	0	112.3	T205	T205-S207 PolarHBondContact O-N 2.6Å
208	S	33.1	Very low	34.4	Very low	71 Å²	71	110.3 Å²	110.3	50%	0.497	63%	0.631	S	S	.	*	S	Bend	cis	65.6	143.4	41.9	81.9	0	0	0	0	118.2	T206	T206-S208 VanDerWaalsContact C-OG 3.29Å; T206-S208 WeakPolarHBondContact CA-OG 3.33Å; T206-S208 VanDerWaalsContact N-CB 3.34Å; T206-S208 PolarHBondContact N-OG 2.72Å
209	T	33.8	Very low	34.3	Very low	132 Å²	132	106.8 Å²	106.8	81%	0.81	62%	0.622	S	S	*	*				-139	121.1	107.3	-72	0	0	0	0	105.5
210	A	32.4	Very low	34.4	Very low	71 Å²	71	99.2 Å²	99.2	59%	0.587	60%	0.601	S	S	*	*				65	120.2	83.2	0	0	0	0	0	114.5
211	T	32.7	Very low	34.4	Very low	96 Å²	96	103 Å²	103	59%	0.589	61%	0.607	S	S	*	*			trans	14.9	135.5	135.6	45.8	0	0	0	0	121.7
212	T	33.2	Very low	34.3	Very low	71 Å²	71	98.6 Å²	98.6	44%	0.436	58%	0.58	S	S	.	*				72	79.5	129.2	68	0	0	0	0	121.8	A1767	T212-A1767 HydrophobicContact CG2-CB 3.41Å; T212-A1767 VanDerWaalsContact CG2-CB 3.41Å
213	T	33	Very low	33.8	Very low	58 Å²	58	100.5 Å²	100.5	36%	0.356	59%	0.585	S	S	.	*			trans	61.8	168.6	135.8	21.8	0	0	0	0	119.1	L1765 S1766	T213-L1765 HydrophobicContact CG2-CB 3.81Å; T213-L1765 HydrophobicContact CG2-CD2 3.96Å; T213-L1765 HydrophobicContact CG2-CG 4.32Å; T213-L1765 PolarHBondContact OG1-O 3.29Å; T213-S1766 WeakPolarHBondContact CB-OG 3.09Å; T213-S1766 WeakPolarHBondContact CG2-OG 3.45Å; T213-S1766 PolarHBondContact OG1-OG 3.04Å
214	S	32.6	Very low	33.5	Very low	61 Å²	61	96.3 Å²	96.3	43%	0.427	57%	0.574	S	S	.	*			cis	-98.6	-167.2	18.1	-74.7	0	0	0	0	116	Y855 L1765	S214-Y855 WeakPolarHBondContact O-CE1 3.35Å; S214-L1765 WeakPolarHBondContact OG-CD1 3.3Å
215	K	30.5	Very low	33.3	Very low	92 Å²	92	92.3 Å²	92.3	40%	0.4	56%	0.563	S	S	.	*			trans	-48.9	0	147.3	-129.4	149.7	177.3	176	0	113.1	D852 Y855	K215-D852 WeakPolarHBondContact CE-OD1 3Å; K215-D852 IonicContact NZ-OD1 3.44Å; K215-D852 PolarHBondContact NZ-OD1 3.2Å; K215-D852 IonicContact NZ-OD2 2.73Å; K215-D852 PolarHBondContact NZ-OD2 3.02Å; K215-Y855 WeakPolarHBondContact CA-OH 3.35Å; K215-Y855 HydrophobicContact CB-CD2 3.28Å; K215-Y855 HydrophobicContact CB-CE2 3.06Å; K215-Y855 HydrophobicContact CB-CG 4.29Å; K215-Y855 HydrophobicContact CG-CD2 3.67Å; K215-Y855 HydrophobicContact CG-CE2 3.04Å; K215-Y855 WeakPolarHBondContact O-CD1 3.09Å; K215-Y855 WeakPolarHBondContact O-CD2 3.3Å; K215-Y855 WeakPolarHBondContact O-CE1 3.5Å; K215-Y855 WeakPolarHBondContact O-CE2 3.39Å
216	S	28.5	Very low	33.3	Very low	19 Å²	19	91.5 Å²	91.5	13%	0.133	57%	0.566	C	S	.	*				0	-169.5	0	53.6	0	0	0	0	116.3	Y855 S856	S216-Y855 VanDerWaalsContact CB-CB 3.46Å; S216-Y855 PolarHBondContact N-OH 3.06Å; S216-Y855 PolarHBondContact O-OH 2.99Å; S216-Y855 VanDerWaalsContact OG-CB 3.24Å; S216-Y855 WeakPolarHBondContact OG-CB 3.21Å; S216-Y855 WeakPolarHBondContact OG-CD1 3.09Å; S216-Y855 VanDerWaalsContact OG-CG 3.23Å; S216-S856 PolarHBondContact OG-OG 3.14Å; S216-S856 VanDerWaalsContact OG-OG 3.07Å
217	E	32.2	Very low	33	Very low	129 Å²	129	96.3 Å²	96.3	60%	0.603	57%	0.571	S	S	*	*			trans	59.6	96.7	145.1	-77.4	148.4	144	0	0	118.8
218	I	34.3	Very low	32.4	Very low	171 Å²	171	96.1 Å²	96.1	88%	0.877	56%	0.556	S	S	*	*				-61.9	128.5	112	-58.1	164.2	0	0	0	105.8
219	P	34.2	Very low	32.6	Very low	89 Å²	89	99.6 Å²	99.6	58%	0.578	57%	0.568	S	S	*	*			cis	-112.3	-169	38.8	44.2	-37.1	0	0	0	112.6
220	T	34.3	Very low	32.8	Very low	66 Å²	66	99.5 Å²	99.5	41%	0.405	57%	0.567	S	S	.	*			cis	-146.4	135.9	-4	-4.5	0	0	0	0	104.4
221	K	28.6	Very low	33	Very low	173 Å²	173	99.2 Å²	99.2	75%	0.752	57%	0.571	S	S	*	*				68.3	149.3	69.3	-158.2	-154.5	168	-155	0	113.1
222	V	32.6	Very low	33.3	Very low	44 Å²	44	101.4 Å²	101.4	27%	0.267	57%	0.574	S	S	.	*			trans	84.6	98	167.6	-162.9	0	0	0	0	116.2	S1832	V222-S1832 VanDerWaalsContact CB-O 3.24Å; V222-S1832 WeakPolarHBondContact CB-O 3.17Å; V222-S1832 WeakPolarHBondContact CG1-O 3.25Å
223	D	29	Very low	34.1	Very low	145 Å²	145	102 Å²	102	78%	0.775	58%	0.579	S	S	*	*				50.1	175	116.3	-40.9	-24.7	0	0	0	119.4
224	G	27.4	Very low	34.3	Very low	43 Å²	43	104.3 Å²	104.3	44%	0.443	60%	0.598	S	S	.	*			cis	177.7	177.9	4.4	0	0	0	0	0	112.1
225	G	34.9	Very low	34.5	Very low	64 Å²	64	104.7 Å²	104.7	66%	0.66	61%	0.611	S	S	*	*			trans	81.5	84.8	-178.4	0	0	0	0	0	112.3
226	A	31.9	Very low	34.8	Very low	83 Å²	83	109 Å²	109	69%	0.686	63%	0.625	S	S	*	*			cis	64.6	130.4	29.1	0	0	0	0	0	114.5
227	R	33.8	Very low	35	Very low	214 Å²	214	114.4 Å²	114.4	81%	0.808	66%	0.657	S	S	*	*			trans	73.1	153.2	160.1	-66.7	165.6	170.4	-103.7	6.5	115.3
228	E	36.7	Very low	35	Very low	126 Å²	126	112.3 Å²	112.3	59%	0.589	66%	0.662	S	S	*	*			cis	-157.9	-175.8	-1.7	-132.9	166.5	108.1	0	0	113.5
229	I	38.1	Very low	34.8	Very low	145 Å²	145	111 Å²	111	74%	0.744	66%	0.655	S	S	*	*			trans	71.5	132.4	147.7	-77.4	160.5	0	0	0	117.2
230	V	38.1	Very low	34.8	Very low	130 Å²	130	108.3 Å²	108.3	79%	0.788	64%	0.643	S	S	*	*			cis	-161.9	169.1	-11.4	102.6	0	0	0	0	109.8
231	G	37.5	Very low	34.9	Very low	65 Å²	65	111.5 Å²	111.5	67%	0.67	65%	0.653	S	S	*	*			trans	120.8	74.8	172.8	0	0	0	0	0	114.3
232	E	37.1	Very low	35.1	Very low	142 Å²	142	107.6 Å²	107.6	66%	0.664	64%	0.641	S	S	*	*			cis	68.4	143.9	45.5	-73.7	-97.4	118.6	0	0	114.7
233	P	50.3	Low	35.8	Very low	84 Å²	84	110 Å²	110	55%	0.545	65%	0.649	S	S	.	*			cis	-147.8	-155.1	-31.3	41.8	-22.9	0	0	0	114.8	W236	P233-W236 HydrophobicContact CB-CH2 4.19Å; P233-W236 HydrophobicContact CB-CZ2 3.77Å; P233-W236 HydrophobicContact CG-CZ2 4.35Å
234	S	38.3	Very low	36.2	Very low	106 Å²	106	108.7 Å²	108.7	74%	0.741	65%	0.648	S	S	*	*			trans	89.2	115.3	162	75.3	0	0	0	0	117.7
235	G	35.7	Very low	36.7	Very low	69 Å²	69	112.9 Å²	112.9	71%	0.711	66%	0.661	S	S	*	*	S	Bend	cis	177.2	159.1	-7.6	0	0	0	0	0	113
236	W	36.2	Very low	36.7	Very low	183 Å²	183	119.4 Å²	119.4	69%	0.693	67%	0.671	S	S	*	*			cis	-153	174.7	-6.2	-96.6	115.4	0	0	0	111.6	P233	P233-W236 HydrophobicContact CB-CH2 4.19Å; P233-W236 HydrophobicContact CB-CZ2 3.77Å; P233-W236 HydrophobicContact CG-CZ2 4.35Å
237	V	33.7	Very low	37	Very low	132 Å²	132	122.4 Å²	122.4	80%	0.8	68%	0.676	S	S	*	*			trans	-154	164	-162.1	177.5	0	0	0	0	111.2
238	A	31.7	Very low	37	Very low	85 Å²	85	120.9 Å²	120.9	70%	0.702	68%	0.678	S	S	*	*			trans	79.7	160.6	166.3	0	0	0	0	0	117.9
239	I	30.4	Very low	37.2	Very low	144 Å²	144	125.4 Å²	125.4	74%	0.738	69%	0.689	S	S	*	*			cis	-113.4	-134.5	1.5	-166.4	132.4	0	0	0	111.6	S1870	I239-S1870 WeakPolarHBondContact CG2-OG 3.44Å
240	G	33.7	Very low	37	Very low	31 Å²	31	125.1 Å²	125.1	32%	0.32	69%	0.688	S	S	.	*			cis	-176.2	-148	-3.5	0	0	0	0	0	110.8	G1868 D1869	G240-G1868 CarbonylContact C-O 3.5Å; G240-D1869 CarbonylContact C-O 3.04Å; G240-D1869 WeakPolarHBondContact CA-O 3.3Å; G240-D1869 PolarHBondContact N-O 3.46Å
241	Q	36.2	Very low	37.1	Very low	133 Å²	133	124.1 Å²	124.1	62%	0.621	68%	0.677	S	S	*	*			trans	-163.4	109.1	177.8	-85.8	-130.1	-49.3	0	0	116.6	I1867 G1868 D1869	Q241-I1867 CarbonylContact C-O 3.48Å; Q241-I1867 WeakPolarHBondContact CA-O 3.28Å; Q241-I1867 HydrophobicContact CB-CG2 4.31Å; Q241-I1867 WeakPolarHBondContact CB-O 3.22Å; Q241-I1867 WeakPolarHBondContact CG-O 3.19Å; Q241-I1867 PolarHBondContact NE2-O 3.42Å; Q241-G1868 VanDerWaalsContact CA-C 3.43Å; Q241-G1868 WeakPolarHBondContact CA-O 3.18Å; Q241-D1869 PolarHBondContact N-O 3.11Å
242	D	33.8	Very low	37.3	Very low	91 Å²	91	126.8 Å²	126.8	49%	0.487	67%	0.671	S	S	.	*			trans	-171.9	163.1	160.3	-113.4	-25	0	0	0	115.4	I1867 G1868 D1869	D242-I1867 PolarHBondContact N-O 3.18Å; D242-G1868 VanDerWaalsContact C-N 3.26Å; D242-G1868 CarbonylContact O-C 2.91Å; D242-G1868 WeakPolarHBondContact O-CA 2.89Å; D242-G1868 PolarHBondContact O-N 2.95Å; D242-D1869 HydrophobicContact CB-CB 4.1Å; D242-D1869 VanDerWaalsContact N-CB 3.27Å; D242-D1869 PolarHBondContact O-N 2.78Å
243	E	47	Very low	37.5	Very low	95 Å²	95	123.5 Å²	123.5	44%	0.444	66%	0.663	S	S	.	*			trans	-160.4	125.3	-177.2	-166.1	-150	146.8	0	0	107.4	S1866 I1867	E243-S1866 PolarHBondContact OE2-OG 3.35Å; E243-I1867 HydrophobicContact CB-CD1 4.04Å; E243-I1867 HydrophobicContact CB-CG1 3.42Å; E243-I1867 VanDerWaalsContact CB-CG1 3.42Å; E243-I1867 VanDerWaalsContact N-CG1 3.31Å
244	P	36.8	Very low	37.1	Very low	117 Å²	117	126.1 Å²	126.1	76%	0.76	67%	0.673	S	S	*	*				-145.4	163.3	108.1	36.3	-20.8	0	0	0	114.6
245	D	39.4	Very low	37.3	Very low	131 Å²	131	128.1 Å²	128.1	70%	0.701	68%	0.675	S	S	*	*			trans	-59.1	129.5	176.6	179.8	24.9	0	0	0	114.4
246	F	33.2	Very low	37.5	Very low	201 Å²	201	132.8 Å²	132.8	88%	0.882	68%	0.678	S	S	*	*			trans	-148.1	130.2	145.3	-92.5	-71.8	0	0	0	110.2	E248	F246-E248 PolarHBondContact O-N 3.34Å
247	D	38.3	Very low	37.7	Very low	146 Å²	146	131.7 Å²	131.7	78%	0.781	68%	0.681	S	S	*	*			trans	-46.6	118	178.9	-104.8	-53.9	0	0	0	114.8
248	E	35	Very low	38.2	Very low	182 Å²	182	134.5 Å²	134.5	85%	0.85	68%	0.678	S	S	*	*			trans	-160.1	83.4	134.8	-116.7	177.9	-139.6	0	0	115.5	F246	F246-E248 PolarHBondContact O-N 3.34Å
249	R	39.7	Very low	38.5	Very low	221 Å²	221	138.2 Å²	138.2	83%	0.834	68%	0.681	S	S	*	*			trans	54.8	116.5	139.2	-61.4	-176	-178.6	-144.1	-2	121.5
250	I	35.4	Very low	38.7	Very low	140 Å²	140	136.1 Å²	136.1	72%	0.718	68%	0.675	S	S	*	*			trans	103.1	89.6	144.2	-59.8	158.4	0	0	0	117.9
251	I	39.7	Very low	38.4	Very low	108 Å²	108	143.3 Å²	143.3	55%	0.554	70%	0.697	S	S	*	*			trans	-67.7	177.1	175.3	53.7	177.1	0	0	0	114.8
252	F	42.2	Very low	38.4	Very low	122 Å²	122	140.2 Å²	140.2	54%	0.535	69%	0.689	S	S	.	*			cis	-146.7	174.1	31.9	-44.7	-110.6	0	0	0	110.6	N1875 K1876	F252-N1875 CarbonylContact O-C 3.17Å; F252-N1875 WeakPolarHBondContact O-CA 3.5Å; F252-N1875 PolarHBondContact O-N 2.73Å; F252-K1876 PolarHBondContact O-N 2.97Å
253	S	41.5	Very low	38.3	Very low	73 Å²	73	140.8 Å²	140.8	51%	0.51	70%	0.696	S	S	.	*			cis	-155.9	-154.4	17.1	-35.2	0	0	0	0	110.8
254	D	41.4	Very low	37.5	Very low	139 Å²	139	139.9 Å²	139.9	74%	0.743	69%	0.688	S	S	*	*			cis	-162.5	172.1	-4.9	-111.9	-38.9	0	0	0	108.9
255	D	42.3	Very low	37.3	Very low	147 Å²	147	138.1 Å²	138.1	79%	0.786	68%	0.679	S	S	*	*			trans	65.5	147.9	170.1	-50.2	-28.1	0	0	0	118.2
256	E	40.7	Very low	37	Very low	167 Å²	167	138.2 Å²	138.2	78%	0.78	68%	0.684	S	S	*	*			cis	-144.7	171.9	14.6	-87.1	-74.6	-173.3	0	0	111.7
257	E	40.7	Very low	37	Very low	160 Å²	160	134.4 Å²	134.4	75%	0.748	68%	0.678	S	S	*	*			trans	146.4	117.7	136.5	-74	-120.8	120.1	0	0	120.5
258	Y	43.2	Very low	36.9	Very low	191 Å²	191	132.9 Å²	132.9	75%	0.749	67%	0.673	S	S	*	*				52.5	148.9	129.3	-70.7	-90.4	0	0	0	130.7
259	E	37.6	Very low	36.7	Very low	163 Å²	163	129.5 Å²	129.5	76%	0.762	67%	0.666	S	S	*	*			trans	74.9	111.2	144	-71.4	-114.5	103.6	0	0	127.6
260	V	34.2	Very low	36.2	Very low	100 Å²	100	125.7 Å²	125.7	61%	0.606	66%	0.662	S	S	*	*				48.4	100.6	119.7	-173.9	0	0	0	0	123.9
261	K	28	Very low	36.1	Very low	182 Å²	182	126.3 Å²	126.3	79%	0.791	67%	0.665	S	S	*	*			trans	65.2	160.9	137.8	-76.2	178.1	-175.1	163	0	121.7
262	P	37	Very low	35.9	Very low	69 Å²	69	125.8 Å²	125.8	45%	0.448	67%	0.671	S	S	.	*			cis	-133.4	142.3	-13.2	29	-7.2	0	0	0	118.6	S767 Q768	P262-S767 CarbonylContact O-C 2.89Å; P262-S767 WeakPolarHBondContact O-CB 3.04Å; P262-Q768 PolarHBondContact O-N 3.34Å
263	V	31	Very low	35.6	Very low	103 Å²	103	124 Å²	124	62%	0.624	66%	0.664	S	S	*	*			trans	87.6	-117.6	142.1	81.8	0	0	0	0	124.9	S265 R769	V263-S265 PolarHBondContact O-N 3.3Å; V263-R769 VanDerWaalsContact CG1-O 3.28Å; V263-R769 WeakPolarHBondContact CG1-O 3.35Å
264	R	31.4	Very low	35.2	Very low	75 Å²	75	123.8 Å²	123.8	28%	0.283	66%	0.655	S	S	.	*			trans	-81.1	103.5	-133.8	-168.7	-168.9	-168.5	169.6	10.5	118.9	Q768 R769 T770 T771	R264-Q768 WeakPolarHBondContact CB-O 3.27Å; R264-Q768 PolarHBondContact N-O 3.2Å; R264-R769 HydrophobicContact CB-CB 4.14Å; R264-R769 WeakPolarHBondContact CB-O 3.18Å; R264-R769 VanDerWaalsContact CD-CB 3.5Å; R264-R769 HydrophobicContact CG-CB 4.49Å; R264-R769 PolarHBondContact O-NH1 3.38Å; R264-R769 PolarHBondContact O-NH2 3.24Å; R264-T770 WeakPolarHBondContact CB-OG1 2.88Å; R264-T770 VanDerWaalsContact CD-OG1 3.23Å; R264-T770 WeakPolarHBondContact CD-OG1 3.17Å; R264-T770 WeakPolarHBondContact CG-OG1 3.44Å; R264-T771 PolarHBondContact NH2-OG1 3.08Å
265	S	31.4	Very low	34.8	Very low	81 Å²	81	121 Å²	121	57%	0.566	65%	0.646	S	S	*	*				64.3	137.1	129.5	-44.6	0	0	0	0	122.6	V263	V263-S265 PolarHBondContact O-N 3.3Å
266	T	34.3	Very low	34.3	Very low	133 Å²	133	116 Å²	116	82%	0.816	63%	0.626	S	S	*	*			trans	67.1	128.7	156.4	47.9	0	0	0	0	116.7
267	T	33	Very low	33.9	Very low	121 Å²	121	113.9 Å²	113.9	74%	0.742	62%	0.616	S	S	*	*			cis	-149	168.6	31.3	-48.3	0	0	0	0	113.5
268	T	34.5	Very low	33.4	Very low	113 Å²	113	112.9 Å²	112.9	69%	0.693	61%	0.609	S	S	*	*			trans	85.8	117.1	151.9	7.6	0	0	0	0	121.7
269	T	31.9	Very low	32.6	Very low	112 Å²	112	109.6 Å²	109.6	69%	0.687	60%	0.604	S	S	*	*			trans	59.2	116.7	140.4	43.4	0	0	0	0	124
270	N	28.4	Very low	32.4	Very low	140 Å²	140	107.7 Å²	107.7	75%	0.749	60%	0.597	S	S	*	*				108	118.7	123.9	-78.2	-2.2	0	0	0	121.9
271	I	34.7	Very low	32.9	Very low	154 Å²	154	106.5 Å²	106.5	79%	0.79	59%	0.592	S	S	*	*			trans	74.4	128	148.5	-58.9	165.1	0	0	0	117.2
272	S	34.3	Very low	33.6	Very low	97 Å²	97	101.5 Å²	101.5	68%	0.678	58%	0.578	S	S	*	*	S	Bend	trans	48.9	96.9	167	-157.9	0	0	0	0	115.8
273	E	36.4	Very low	33.7	Very low	84 Å²	84	99.7 Å²	99.7	39%	0.393	57%	0.566	S	S	.	*			cis	-148.8	-116.9	20.8	-169.7	-146.4	88.6	0	0	109.4	T1883 L1884 L1885	E273-T1883 PolarHBondContact OE2-OG1 3.5Å; E273-L1884 HydrophobicContact CB-CB 4.17Å; E273-L1884 HydrophobicContact CB-CD1 4.23Å; E273-L1884 WeakPolarHBondContact OE1-CB 3.22Å; E273-L1884 WeakPolarHBondContact OE2-CA 3.08Å; E273-L1884 PolarHBondContact OE2-N 3.16Å; E273-L1885 PolarHBondContact OE1-N 2.81Å
274	Q	33.8	Very low	33.7	Very low	68 Å²	68	98.5 Å²	98.5	32%	0.318	56%	0.562	S	S	.	*			trans	-136.3	173	173	-64.6	-158	17.1	0	0	112.9	L1886 P2234	Q274-L1886 HydrophobicContact CB-CD1 3.88Å; Q274-L1886 HydrophobicContact CB-CD2 4.01Å; Q274-L1886 HydrophobicContact CB-CG 3.81Å; Q274-L1886 HydrophobicContact CG-CD1 4.46Å; Q274-P2234 PolarHBondContact NE2-O 2.79Å
275	S	32.8	Very low	34	Very low	81 Å²	81	100.1 Å²	100.1	57%	0.566	58%	0.581	S	S	*	*			trans	-105.5	168.8	-166.5	59.1	0	0	0	0	115	L1886 A1887	S275-L1886 CarbonylContact O-C 3.36Å; S275-L1886 VanDerWaalsContact O-CA 3.27Å; S275-L1886 WeakPolarHBondContact O-CA 3.38Å; S275-L1886 WeakPolarHBondContact O-CD2 3.34Å; S275-L1886 PolarHBondContact O-N 3.14Å; S275-A1887 PolarHBondContact O-N 2.75Å
276	A	31.6	Very low	33.7	Very low	42 Å²	42	102.3 Å²	102.3	35%	0.347	59%	0.59	S	S	.	*	B	Isolated β-bridge	trans	-91.7	150	-179.2	0	0	0	0	0	115.9	L1885 L1886	A276-L1885 HydrophobicContact CB-CB 4.08Å; A276-L1885 HydrophobicContact CB-CD1 3.97Å; A276-L1885 HydrophobicContact CB-CD2 4.23Å; A276-L1885 HydrophobicContact CB-CG 4.31Å; A276-L1886 CarbonylContact C-O 3.44Å; A276-L1886 VanDerWaalsContact CA-O 3.22Å; A276-L1886 WeakPolarHBondContact CA-O 3.14Å
277	Q	32.9	Very low	33.8	Very low	123 Å²	123	106 Å²	106	58%	0.575	60%	0.595	S	S	*	*			trans	60	160.5	154.8	-61.4	165.7	3.1	0	0	123.3	L1886 A1887	Q277-L1886 PolarHBondContact N-O 3.31Å; Q277-A1887 VanDerWaalsContact N-CB 3.35Å
278	F	29	Very low	33.7	Very low	139 Å²	139	105.1 Å²	105.1	61%	0.61	59%	0.59	S	S	*	*			trans	95.4	115.5	145.1	-67.9	-56.3	0	0	0	127.6	S1888 S1889	F278-S1888 CarbonylContact O-C 3Å; F278-S1889 VanDerWaalsContact C-OG 3.26Å; F278-S1889 WeakPolarHBondContact O-CB 3.2Å; F278-S1889 PolarHBondContact O-N 3.2Å; F278-S1889 PolarHBondContact O-OG 3.22Å
279	L	27.3	Very low	33.5	Very low	121 Å²	121	104.5 Å²	104.5	63%	0.634	59%	0.59	S	S	*	*				68.3	92.2	111	-122.2	75	0	0	0	130.1	S1889	L279-S1889 WeakPolarHBondContact CA-OG 3.44Å; L279-S1889 VanDerWaalsContact N-CB 3.35Å; L279-S1889 PolarHBondContact N-OG 3.21Å; L279-S1889 PolarHBondContact O-OG 3.17Å
280	I	33.6	Very low	33.2	Very low	123 Å²	123	106.5 Å²	106.5	63%	0.631	60%	0.596	S	S	*	*			trans	67.5	147.7	133.7	-66.4	177.5	0	0	0	120.2	S1889 T1890	I280-S1889 PolarHBondContact N-OG 3.28Å; I280-T1890 WeakPolarHBondContact CA-OG1 3.23Å; I280-T1890 PolarHBondContact N-OG1 2.68Å
281	P	43.5	Very low	33.1	Very low	76 Å²	76	108 Å²	108	49%	0.494	60%	0.598	S	S	.	*			cis	-136.2	-157.2	-39.9	41.1	-18.9	0	0	0	113	V1891	P281-V1891 CarbonylContact C-O 3.37Å; P281-V1891 VanDerWaalsContact C-O 3.25Å; P281-V1891 CarbonylContact O-C 3.2Å
282	P	43.4	Very low	32.7	Very low	76 Å²	76	105.1 Å²	105.1	49%	0.494	60%	0.597	S	S	.	*				-96.5	-76.8	-65.5	15.1	4.3	0	0	0	114.4	V1891 Q1892	P282-V1891 CarbonylContact C-O 3.41Å; P282-Q1892 HydrophobicContact CG-CG 4.49Å
283	P	38.1	Very low	32.4	Very low	32 Å²	32	109.1 Å²	109.1	21%	0.208	61%	0.608	C	S	.	*			cis	-69.5	-70	-18.2	2.5	-1.4	0	0	0	120.1	L776 M777 V1891 Q1892	P283-L776 HydrophobicContact CB-CD1 4.4Å; P283-L776 HydrophobicContact CB-CG 3.97Å; P283-L776 VanDerWaalsContact CG-C 3.44Å; P283-L776 HydrophobicContact CG-CB 4.18Å; P283-L776 HydrophobicContact CG-CD2 4.21Å; P283-L776 HydrophobicContact CG-CG 3.65Å; P283-M777 VanDerWaalsContact CD-SD 3.53Å; P283-M777 HydrophobicContact CG-CB 3.69Å; P283-M777 HydrophobicContact CG-CG 4.21Å; P283-V1891 VanDerWaalsContact CD-C 3.47Å; P283-V1891 WeakPolarHBondContact CD-O 3.41Å; P283-Q1892 VanDerWaalsContact CA-NE2 3.26Å; P283-Q1892 HydrophobicContact CB-CB 3.42Å; P283-Q1892 VanDerWaalsContact CB-CB 3.42Å; P283-Q1892 HydrophobicContact CB-CG 2.29Å; P283-Q1892 HydrophobicContact CG-CB 2.75Å; P283-Q1892 HydrophobicContact CG-CG 2.29Å
284	S	32	Very low	32.3	Very low	77 Å²	77	110.9 Å²	110.9	54%	0.538	63%	0.626	S	S	.	*			trans	-171	176.1	-166.5	72.8	0	0	0	0	119.1
285	T	36.5	Very low	31.9	Very low	109 Å²	109	113 Å²	113	67%	0.669	64%	0.638	S	S	*	*			trans	81.2	52.1	156.8	-27.9	0	0	0	0	124.7
286	V	25.8	Very low	31.6	Very low	127 Å²	127	114.5 Å²	114.5	77%	0.77	63%	0.634	S	S	*	*	S	Bend	trans	-146.5	140.6	134.6	169.9	0	0	0	0	108.1
287	K	36.9	Very low	31.7	Very low	210 Å²	210	118.4 Å²	118.4	91%	0.913	66%	0.656	S	S	*	*	S	Bend	trans	49.8	70.9	175.8	-73.3	175.1	179.9	176	0	113.4
288	T	30.9	Very low	31.4	Very low	104 Å²	104	120 Å²	120	64%	0.638	66%	0.661	S	S	*	*			trans	-102.3	146.5	-166	44.4	0	0	0	0	114
289	S	29.1	Very low	31.4	Very low	100 Å²	100	119.1 Å²	119.1	70%	0.699	67%	0.667	S	S	*	*			trans	-72.1	143.5	158.1	167	0	0	0	0	110.7
290	L	26.7	Very low	31.4	Very low	153 Å²	153	120.4 Å²	120.4	80%	0.801	67%	0.674	S	S	*	*			trans	174.8	126	134.9	-88	161.5	0	0	0	105.6
291	H	25	Very low	31.4	Very low	172 Å²	172	119.9 Å²	119.9	80%	0.796	68%	0.679	S	S	*	*				61.5	144.9	88.7	-92.5	67.6	0	0	0	115.8
292	A	27	Very low	30.5	Very low	94 Å²	94	120.9 Å²	120.9	78%	0.777	69%	0.688	S	S	*	*			trans	68.9	123.3	-169.2	0	0	0	0	0	115.6
293	M	27.9	Very low	29.8	Very low	181 Å²	181	122.9 Å²	122.9	89%	0.892	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-99.5	117.6	162	-67.9	-160.8	-58.9	0	0	109.3
294	P	33.4	Very low	29.4	Very low	121 Å²	121	128 Å²	128	79%	0.786	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-85	163	152.3	33.7	-30.3	0	0	0	110.7
295	M	26.5	Very low	29.7	Very low	113 Å²	113	131.4 Å²	131.4	56%	0.557	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-89.1	165.3	-170.8	-73.2	-73.5	172.2	0	0	114.4	V36	V36-M295 HydrophobicContact CB-CE 4.06Å; V36-M295 HydrophobicContact CB-SD 4.44Å; V36-M295 HydrophobicContact CG2-CE 4.45Å
296	K	26.7	Very low	29.3	Very low	112 Å²	112	134.4 Å²	134.4	49%	0.487	74%	0.742	S	S	.	*			trans	-31.8	142.7	158.5	-52.7	161.5	178.8	173.6	0	112.1	R37 Q38 F298	R37-K296 PolarHBondContact O-NZ 3.34Å; Q38-K296 PolarHBondContact O-NZ 2.67Å; K296-F298 HydrophobicContact CB-CD2 3.81Å; K296-F298 HydrophobicContact CB-CE2 4.29Å; K296-F298 HydrophobicContact CD-CD2 4.19Å; K296-F298 HydrophobicContact CD-CE2 3.86Å
297	P	33.5	Very low	29.6	Very low	124 Å²	124	131.7 Å²	131.7	81%	0.805	74%	0.739	S	S	*	*				-117.3	128.3	94.4	33.3	-33.2	0	0	0	111.6
298	F	26.3	Very low	29.3	Very low	155 Å²	155	126.2 Å²	126.2	68%	0.68	73%	0.734	S	S	*	*				82.4	95.6	65.6	-95.6	-90.9	0	0	0	114.3	K296	K296-F298 HydrophobicContact CB-CD2 3.81Å; K296-F298 HydrophobicContact CB-CE2 4.29Å; K296-F298 HydrophobicContact CD-CD2 4.19Å; K296-F298 HydrophobicContact CD-CE2 3.86Å
299	V	28.9	Very low	29.5	Very low	122 Å²	122	125.2 Å²	125.2	74%	0.739	73%	0.73	S	S	*	*			trans	74.5	121.4	137.2	173.8	0	0	0	0	119.1
300	N	26.6	Very low	29.4	Very low	148 Å²	148	125.9 Å²	125.9	79%	0.791	73%	0.729	S	S	*	*			trans	-10.3	144.2	145.6	-80.4	5.2	0	0	0	116.4
301	P	35.5	Very low	29.4	Very low	112 Å²	112	123.3 Å²	123.3	73%	0.727	72%	0.716	S	S	*	*				-146.2	172.2	56.3	39.6	-21	0	0	0	118
302	S	24.6	Very low	29.8	Very low	97 Å²	97	117.7 Å²	117.7	68%	0.678	69%	0.69	S	S	*	*			trans	0.7	134.5	138	-36.6	0	0	0	0	116
303	T	28.7	Very low	30	Very low	118 Å²	118	115.3 Å²	115.3	72%	0.724	67%	0.667	S	S	*	*				-171.6	170.3	61.9	40.1	0	0	0	0	112.5
304	N	28.9	Very low	30.1	Very low	140 Å²	140	110.2 Å²	110.2	75%	0.749	64%	0.641	S	S	*	*			trans	77	157	147.8	-76.7	-40	0	0	0	120.3
305	L	37.4	Very low	29.7	Very low	147 Å²	147	105.8 Å²	105.8	77%	0.77	61%	0.613	S	S	*	*			trans	60.3	73.7	166.2	-66.2	160.7	0	0	0	115.6
306	Q	28.2	Very low	30.1	Very low	173 Å²	173	105.1 Å²	105.1	81%	0.808	62%	0.616	S	S	*	*				13.5	138.5	112.5	-57.9	141.5	-66	0	0	116.4
307	G	33.5	Very low	30.4	Very low	69 Å²	69	102.9 Å²	102.9	71%	0.711	61%	0.611	S	S	*	*			trans	-174	9.4	171.6	0	0	0	0	0	122.7
308	A	29.9	Very low	30.5	Very low	96 Å²	96	101.4 Å²	101.4	79%	0.793	60%	0.604	S	S	*	*			trans	57.5	-156.1	172.3	0	0	0	0	0	115.6
309	C	36.1	Very low	31	Very low	83 Å²	83	101.8 Å²	101.8	56%	0.561	61%	0.608	S	S	*	*			trans	-3.1	122.1	-173.8	57.6	0	0	0	0	119	M476	C309-M476 HydrophobicContact CB-CE 3.68Å; C309-M476 HydrophobicContact CB-SD 3.84Å
310	V	26.4	Very low	31.1	Very low	113 Å²	113	101.9 Å²	101.9	69%	0.685	60%	0.604	S	S	*	*			cis	56	125.3	10	-137.5	0	0	0	0	116.4
311	I	27.2	Very low	31.1	Very low	100 Å²	100	101.9 Å²	101.9	51%	0.513	60%	0.601	S	S	.	*			trans	64.3	129.9	168.1	-39.5	-177	0	0	0	115.3	S475	I311-S475 CarbonylContact C-O 3.51Å
312	Q	32.9	Very low	30.9	Very low	53 Å²	53	106.7 Å²	106.7	25%	0.248	61%	0.606	C	S	.	*			trans	162.1	58.5	152.9	-89.3	175.3	-8.2	0	0	105.9	Q314 S475 M476 S477	Q312-Q314 HydrophobicContact CB-CB 4.08Å; Q312-Q314 HydrophobicContact CB-CG 3.54Å; Q312-Q314 VanDerWaalsContact CD-OE1 3.22Å; Q312-Q314 HydrophobicContact CG-CG 3.56Å; Q312-Q314 PolarHBondContact O-N 3.1Å; Q312-Q314 VanDerWaalsContact O-N 3.11Å; Q312-S475 CarbonylContact C-O 3.52Å; Q312-S475 VanDerWaalsContact C-O 3.26Å; Q312-S475 PolarHBondContact N-O 3.12Å; Q312-S475 CarbonylContact O-C 3.49Å; Q312-S475 VanDerWaalsContact O-C 3.26Å; Q312-S475 PolarHBondContact O-OG 2.85Å; Q312-M476 HydrophobicContact CB-CB 4.48Å; Q312-M476 HydrophobicContact CB-CE 4.29Å; Q312-M476 HydrophobicContact CB-CG 4.31Å; Q312-M476 HydrophobicContact CG-CE 4.47Å; Q312-M476 CarbonylContact O-C 3.09Å; Q312-M476 WeakPolarHBondContact O-CA 3.19Å; Q312-M476 PolarHBondContact O-N 3.35Å; Q312-S477 VanDerWaalsContact OE1-CA 3.27Å
313	S	31.8	Very low	31.1	Very low	44 Å²	44	105.3 Å²	105.3	31%	0.308	61%	0.608	S	S	.	*				32.1	45.4	64.7	-58.9	0	0	0	0	111.2	P474 S475	S313-P474 WeakPolarHBondContact OG-CA 3.25Å; S313-P474 WeakPolarHBondContact OG-CB 3Å; S313-S475 VanDerWaalsContact N-C 3.31Å; S313-S475 PolarHBondContact N-O 2.91Å; S313-S475 PolarHBondContact N-OG 2.81Å
314	Q	28.2	Very low	31.4	Very low	74 Å²	74	102.7 Å²	102.7	35%	0.346	59%	0.594	S	S	.	*			trans	-139.9	136.7	-172.2	-80.9	-159.3	-33.3	0	0	109.2	Q312	Q312-Q314 HydrophobicContact CB-CB 4.08Å; Q312-Q314 HydrophobicContact CB-CG 3.54Å; Q312-Q314 VanDerWaalsContact CD-OE1 3.22Å; Q312-Q314 HydrophobicContact CG-CG 3.56Å; Q312-Q314 PolarHBondContact O-N 3.1Å; Q312-Q314 VanDerWaalsContact O-N 3.11Å
315	S	26.8	Very low	31.4	Very low	28 Å²	28	101.5 Å²	101.5	20%	0.196	59%	0.588	C	S	.	*			cis	72.5	142.5	29.5	94.7	0	0	0	0	116.8	T2210 S2211	S315-T2210 WeakPolarHBondContact CB-OG1 3.24Å; S315-S2211 PolarHBondContact N-O 3.32Å
316	T	35.1	Very low	31.3	Very low	99 Å²	99	99.4 Å²	99.4	61%	0.607	58%	0.577	S	S	*	*			trans	-138.8	100.1	152	28.3	0	0	0	0	105.7	T2210 S2211	T316-T2210 WeakPolarHBondContact O-CG2 3.08Å; T316-S2211 PolarHBondContact N-OG 3.19Å; T316-S2211 PolarHBondContact O-OG 2.97Å; T316-S2211 WeakPolarHBondContact OG1-CB 3.24Å; T316-S2211 PolarHBondContact OG1-OG 2.99Å
317	V	32.7	Very low	31.7	Very low	65 Å²	65	97 Å²	97	39%	0.394	57%	0.567	S	S	.	*				65.1	114.7	68.5	178.8	0	0	0	0	111.3
318	S	35	Very low	31.5	Very low	94 Å²	94	98 Å²	98	66%	0.657	56%	0.56	S	S	*	*			trans	173.5	136.1	134.1	-82.6	0	0	0	0	109.7
319	Q	37.7	Very low	31.6	Very low	162 Å²	162	97.3 Å²	97.3	76%	0.757	55%	0.549	S	S	*	.			cis	-137.5	143.7	-16.4	-80.3	122.8	15.5	0	0	105.7
320	N	30.2	Very low	31.8	Very low	124 Å²	124	99.4 Å²	99.4	66%	0.663	56%	0.555	S	S	*	*				46.5	140.5	75.6	-75.6	-1.5	0	0	0	114.1
321	M	26.6	Very low	32.4	Very low	149 Å²	149	97 Å²	97	73%	0.734	54%	0.54	S	S	*	.			cis	154.8	123.7	-15.3	-111.9	-151.5	-61.7	0	0	104.5
322	Y	32	Very low	32.8	Very low	212 Å²	212	97.9 Å²	97.9	83%	0.831	54%	0.537	S	S	*	.			trans	-169.9	142	154.6	-88.9	-65.8	0	0	0	109.5
323	G	28.4	Very low	32.8	Very low	69 Å²	69	98.8 Å²	98.8	71%	0.711	55%	0.549	S	S	*	.			cis	158.3	32.5	-12.5	0	0	0	0	0	121.2
324	S	34	Very low	32.8	Very low	62 Å²	62	98.4 Å²	98.4	43%	0.434	55%	0.548	S	S	.	.			trans	-172.2	129.4	169	52.7	0	0	0	0	111.4
325	N	29.3	Very low	33.1	Very low	115 Å²	115	97.3 Å²	97.3	62%	0.615	55%	0.552	S	S	*	*			cis	90.4	144.6	47	-71.3	-6.5	0	0	0	114.4	Q495	N325-Q495 PolarHBondContact O-NE2 2.88Å
326	L	35.7	Very low	33.2	Very low	104 Å²	104	101.4 Å²	101.4	55%	0.545	57%	0.572	S	S	.	*			trans	62.2	128.5	-175.2	-80.3	70.8	0	0	0	115.9	F489 Q495	L326-F489 HydrophobicContact CB-CE1 3.87Å; L326-F489 HydrophobicContact CB-CZ 4.19Å; L326-F489 VanDerWaalsContact O-CE1 3.29Å; L326-F489 WeakPolarHBondContact O-CE1 3.06Å; L326-Q495 PolarHBondContact O-NE2 2.74Å; L326-Q495 PolarHBondContact O-OE1 3.05Å
327	M	35.3	Very low	33.4	Very low	121 Å²	121	103 Å²	103	60%	0.596	58%	0.581	S	S	*	*			cis	-145	133.1	15.3	-103.4	145.6	65.2	0	0	113.1
328	T	30.7	Very low	33.3	Very low	92 Å²	92	104.7 Å²	104.7	56%	0.564	60%	0.596	S	S	*	*			trans	8.8	144.6	131.6	54.6	0	0	0	0	119
329	S	31.8	Very low	33.1	Very low	80 Å²	80	110.1 Å²	110.1	56%	0.559	60%	0.603	S	S	*	*			cis	178.3	175.1	0.1	47.3	0	0	0	0	110.7
330	N	39.1	Very low	32.9	Very low	128 Å²	128	105.4 Å²	105.4	68%	0.684	59%	0.586	S	S	*	*			trans	124	96.1	146	-62.8	-36.4	0	0	0	118.1
331	T	41	Very low	33.3	Very low	61 Å²	61	104 Å²	104	37%	0.374	57%	0.571	S	S	.	*			cis	115.7	174.8	12.5	75.7	0	0	0	0	112.8	N342	T331-N342 WeakPolarHBondContact CA-OD1 3.5Å; T331-N342 WeakPolarHBondContact CB-OD1 3.25Å; T331-N342 HydrophobicContact CG2-CB 3.85Å; T331-N342 VanDerWaalsContact CG2-ND2 3.29Å; T331-N342 WeakPolarHBondContact CG2-ND2 3.4Å
332	W	34	Very low	33.9	Very low	120 Å²	120	99.3 Å²	99.3	46%	0.455	55%	0.549	S	S	.	.			cis	-172.4	136.4	23.7	-125.9	0	0	0	0	109.3	R341 N342	W332-R341 HydrophobicContact CB-CB 3.51Å; W332-R341 HydrophobicContact CB-CG 3.65Å; W332-R341 HydrophobicContact CD2-CB 3.61Å; W332-R341 HydrophobicContact CD2-CG 4.05Å; W332-R341 HydrophobicContact CG-CB 3.15Å; W332-R341 HydrophobicContact CG-CG 3.74Å; W332-R341 HydrophobicContact CZ2-CB 4.39Å; W332-R341 PolarHBondContact NE1-O 2.89Å; W332-R341 PolarHBondContact O-NE 2.74Å; W332-R341 PolarHBondContact O-NH2 3.44Å; W332-N342 VanDerWaalsContact CA-OD1 3.3Å; W332-N342 WeakPolarHBondContact CA-OD1 3.17Å
333	S	33.8	Very low	34.1	Very low	71 Å²	71	92.8 Å²	92.8	50%	0.497	53%	0.534	S	S	.	.			trans	115.3	133.9	164.3	-121.6	0	0	0	0	117.9	R341	S333-R341 WeakPolarHBondContact OG-CG 3.15Å
334	A	31.8	Very low	34.6	Very low	36 Å²	36	95.2 Å²	95.2	30%	0.298	54%	0.54	S	S	.	.			cis	75.6	151.2	16.8	0	0	0	0	0	116.9	C500	A334-C500 HydrophobicContact CB-CB 3.5Å; A334-C500 WeakPolarHBondContact CB-O 3.45Å
335	A	33.7	Very low	34.8	Very low	52 Å²	52	97.4 Å²	97.4	43%	0.43	55%	0.55	S	S	.	*			cis	-155.5	160.8	14.8	0	0	0	0	0	113.2
336	D	29.8	Very low	35.1	Very low	113 Å²	113	97.5 Å²	97.5	60%	0.604	56%	0.56	S	S	*	*	S	Bend	trans	-58.2	146.3	142.6	-95.9	-54.8	0	0	0	109	S338 L501	D336-S338 PolarHBondContact O-N 2.76Å; D336-L501 HydrophobicContact CB-CD1 3.57Å; D336-L501 VanDerWaalsContact N-CD1 3.27Å
337	V	38.9	Very low	35.6	Very low	133 Å²	133	99.5 Å²	99.5	81%	0.806	57%	0.566	S	S	*	*	S	Bend	trans	39.3	67.5	154.5	-165.3	0	0	0	0	114.8
338	S	30.1	Very low	36.1	Very low	100 Å²	100	99.2 Å²	99.2	70%	0.699	57%	0.573	S	S	*	*	S	Bend	trans	69.9	103.3	159.8	-59.5	0	0	0	0	118.4	D336	D336-S338 PolarHBondContact O-N 2.76Å
339	Y	32	Very low	36.2	Very low	208 Å²	208	96.6 Å²	96.6	82%	0.816	57%	0.565	S	S	*	*			trans	73.2	91.7	150.6	-72.1	-100.4	0	0	0	119.8
340	T	33.2	Very low	36.7	Very low	63 Å²	63	98.2 Å²	98.2	39%	0.387	57%	0.574	S	S	.	*				103.7	78.1	127.2	60.9	0	0	0	0	124
341	R	38.9	Very low	37	Very low	94 Å²	94	95.5 Å²	95.5	36%	0.355	56%	0.563	S	S	.	*				91.8	120.4	108.8	-66.5	172.8	126.9	-135.9	-26.4	122.2	W332 S333 N499	W332-R341 HydrophobicContact CB-CB 3.51Å; W332-R341 HydrophobicContact CB-CG 3.65Å; W332-R341 HydrophobicContact CD2-CB 3.61Å; W332-R341 HydrophobicContact CD2-CG 4.05Å; W332-R341 HydrophobicContact CG-CB 3.15Å; W332-R341 HydrophobicContact CG-CG 3.74Å; W332-R341 HydrophobicContact CZ2-CB 4.39Å; W332-R341 PolarHBondContact NE1-O 2.89Å; W332-R341 PolarHBondContact O-NE 2.74Å; W332-R341 PolarHBondContact O-NH2 3.44Å; S333-R341 WeakPolarHBondContact OG-CG 3.15Å; R341-N499 CarbonylContact C-O 3.58Å
342	N	37.5	Very low	37.5	Very low	52 Å²	52	96.4 Å²	96.4	28%	0.278	57%	0.57	S	S	.	*			trans	104.5	129.5	167.4	-115.7	43.9	0	0	0	126.3	T331 W332 P498 N499	T331-N342 WeakPolarHBondContact CA-OD1 3.5Å; T331-N342 WeakPolarHBondContact CB-OD1 3.25Å; T331-N342 HydrophobicContact CG2-CB 3.85Å; T331-N342 VanDerWaalsContact CG2-ND2 3.29Å; T331-N342 WeakPolarHBondContact CG2-ND2 3.4Å; W332-N342 VanDerWaalsContact CA-OD1 3.3Å; W332-N342 WeakPolarHBondContact CA-OD1 3.17Å; N342-P498 CarbonylContact O-C 3.5Å; N342-P498 VanDerWaalsContact O-C 3.24Å; N342-N499 CarbonylContact C-O 3.25Å; N342-N499 VanDerWaalsContact C-O 3.31Å; N342-N499 WeakPolarHBondContact CA-O 2.95Å; N342-N499 PolarHBondContact N-O 3.19Å; N342-N499 CarbonylContact O-C 3.55Å; N342-N499 WeakPolarHBondContact O-CA 3.1Å; N342-N499 PolarHBondContact O-N 3.49Å
343	C	36.8	Very low	37.7	Very low	74 Å²	74	95.3 Å²	95.3	50%	0.5	57%	0.573	S	S	.	*			trans	-158.2	168.5	173.4	-86.5	0	0	0	0	114.3	C500 L501	C343-C500 VanDerWaalsContact SG-C 3.59Å; C343-C500 PolarHBondContact SG-N 3.46Å; C343-C500 VanDerWaalsContact SG-N 3.4Å; C343-L501 PolarHBondContact SG-N 3.02Å
344	S	38.6	Very low	37.8	Very low	121 Å²	121	94.9 Å²	94.9	85%	0.846	57%	0.565	S	S	*	*			trans	-167	161.1	174.6	-76.2	0	0	0	0	115.8
345	V	38.7	Very low	38	Very low	107 Å²	107	98 Å²	98	65%	0.648	58%	0.576	S	S	*	*			trans	-156.1	157.9	-177.3	-162.1	0	0	0	0	113.7
346	S	35.7	Very low	38.5	Very low	118 Å²	118	100.2 Å²	100.2	83%	0.825	59%	0.586	S	S	*	*			trans	-147.1	154.1	168.5	-83.1	0	0	0	0	116
347	H	46.4	Very low	38.7	Very low	145 Å²	145	103.7 Å²	103.7	67%	0.671	59%	0.592	S	S	*	*			trans	-152.3	-179.8	-163.7	-60.8	-60.3	0	0	0	115.6
348	P	44.6	Very low	38.4	Very low	115 Å²	115	101.5 Å²	101.5	75%	0.747	58%	0.583	S	S	*	*			trans	-78	-168.4	148.2	36.3	-39.3	0	0	0	112.3	H507	P348-H507 PolarHBondContact O-CE1 2.82Å
349	G	34.2	Very low	38.6	Very low	38 Å²	38	101.6 Å²	101.6	39%	0.392	57%	0.574	S	S	.	*			cis	-170.4	178.5	2.8	0	0	0	0	0	114.3
350	P	42.4	Very low	38.6	Very low	114 Å²	114	95.8 Å²	95.8	74%	0.74	57%	0.569	S	S	*	*			trans	-106.1	-57.6	-150.1	2.3	17.6	0	0	0	125.8
351	P	44.5	Very low	38.7	Very low	71 Å²	71	96 Å²	96	46%	0.461	57%	0.573	S	S	.	*			trans	-104	-161.2	-151.7	45	-43.7	0	0	0	114.1	L353 S509	P351-L353 HydrophobicContact CB-CD1 4.28Å; P351-L353 HydrophobicContact CB-CG 4.48Å; P351-S509 VanDerWaalsContact C-OG 3.28Å; P351-S509 PolarHBondContact O-OG 2.95Å
352	P	52.7	Low	38.6	Very low	80 Å²	80	96.5 Å²	96.5	52%	0.519	58%	0.582	S	S	.	*			cis	-138	167.6	-4.8	41.8	-24.6	0	0	0	117.9	V510 N511	P352-V510 WeakPolarHBondContact O-CA 3.46Å; P352-V510 WeakPolarHBondContact O-CG1 3.04Å; P352-V510 PolarHBondContact O-N 3.07Å; P352-N511 PolarHBondContact O-N 2.76Å
353	L	36.6	Very low	38.1	Very low	97 Å²	97	95.3 Å²	95.3	51%	0.508	58%	0.575	S	S	.	*				-155.8	147.1	-72.4	-119.9	-177.7	0	0	0	114.1	P351 N511	P351-L353 HydrophobicContact CB-CD1 4.28Å; P351-L353 HydrophobicContact CB-CG 4.48Å; L353-N511 CarbonylContact C-O 3.33Å
354	N	37	Very low	37.8	Very low	61 Å²	61	94.5 Å²	94.5	33%	0.326	57%	0.568	S	S	.	*			trans	135.5	92.5	165	54.4	-107	0	0	0	116.7	N511 H512	N354-N511 PolarHBondContact O-ND2 3.19Å; N354-H512 VanDerWaalsContact C-ND1 3.33Å; N354-H512 WeakPolarHBondContact CA-CE1 3.3Å; N354-H512 VanDerWaalsContact CA-ND1 3.33Å; N354-H512 WeakPolarHBondContact CA-ND1 3.46Å; N354-H512 PolarHBondContact ND2-CD2 3.14Å; N354-H512 VanDerWaalsContact ND2-CD2 3.33Å; N354-H512 PolarHBondContact ND2-NE2 2.91Å; N354-H512 PolarHBondContact O-CE1 2.84Å; N354-H512 PolarHBondContact O-ND1 2.72Å
355	L	35.6	Very low	37.2	Very low	103 Å²	103	92.8 Å²	92.8	54%	0.539	56%	0.555	S	S	.	*				12.6	159.4	125	-60.5	168.1	0	0	0	120	Y357 H512	L355-Y357 HydrophobicContact CB-CD2 4.46Å; L355-Y357 HydrophobicContact CD1-CE2 3.9Å; L355-Y357 HydrophobicContact CD2-CD2 3.87Å; L355-Y357 HydrophobicContact CD2-CE2 3.61Å; L355-Y357 HydrophobicContact CG-CE2 4.18Å; L355-H512 PolarHBondContact O-CE1 2.91Å
356	P	43.9	Very low	36.8	Very low	97 Å²	97	88.5 Å²	88.5	63%	0.63	53%	0.533	S	S	*	.			cis	-141.7	141	27.5	39.4	-18.8	0	0	0	121.3	M513	P356-M513 HydrophobicContact CG-CE 4.19Å
357	Y	34.7	Very low	36.5	Very low	186 Å²	186	87.9 Å²	87.9	73%	0.729	52%	0.519	S	S	*	.			trans	57	148.4	132.1	-73.8	-111.2	0	0	0	122.7	L355	L355-Y357 HydrophobicContact CB-CD2 4.46Å; L355-Y357 HydrophobicContact CD1-CE2 3.9Å; L355-Y357 HydrophobicContact CD2-CD2 3.87Å; L355-Y357 HydrophobicContact CD2-CE2 3.61Å; L355-Y357 HydrophobicContact CG-CE2 4.18Å
358	S	31.9	Very low	35.5	Very low	88 Å²	88	82.3 Å²	82.3	62%	0.615	50%	0.495	S	S	*	.			cis	-176.9	180	-25	-103.5	0	0	0	0	111.3
359	I	34.9	Very low	34.5	Very low	102 Å²	102	79 Å²	79	52%	0.523	48%	0.475	S	S	.	.			trans	82.7	137	159.6	-44.5	-174.2	0	0	0	116.7	T541 A542	I359-T541 HydrophobicContact CD1-CG2 4.04Å; I359-A542 HydrophobicContact CD1-CB 3.67Å
360	A	32.8	Very low	34.2	Very low	86 Å²	86	81.8 Å²	81.8	71%	0.711	48%	0.481	S	S	*	.			cis	-170.6	144.7	-38.2	0	0	0	0	0	108.8
361	S	34.9	Very low	33.6	Very low	68 Å²	68	78.9 Å²	78.9	48%	0.476	47%	0.466	S	S	.	.			trans	-173.4	105	159.7	-83.8	0	0	0	0	111.2	R373	S361-R373 PolarHBondContact OG-NH1 3.03Å
362	I	35.4	Very low	32.9	Very low	104 Å²	104	78.5 Å²	78.5	53%	0.533	46%	0.461	S	S	.	.				30.6	138.4	120.1	-58	174.3	0	0	0	116.4	N372 R373	I362-N372 HydrophobicContact CG2-CB 4.05Å; I362-N372 WeakPolarHBondContact O-CB 3.45Å; I362-R373 WeakPolarHBondContact O-CB 2.97Å
363	N	28.4	Very low	31.8	Very low	27 Å²	27	82.6 Å²	82.6	14%	0.144	47%	0.466	C	S	.	.			cis	162	132.4	-16	-94.1	-29	0	0	0	110.1	A371 N372 S582 N583 T584	N363-A371 CarbonylContact O-C 3.21Å; N363-N372 CarbonylContact C-O 3.21Å; N363-N372 PolarHBondContact N-O 2.64Å; N363-N372 VanDerWaalsContact N-O 3.13Å; N363-N372 PolarHBondContact O-N 3.42Å; N363-S582 VanDerWaalsContact O-CB 3.27Å; N363-S582 WeakPolarHBondContact O-CB 3.48Å; N363-S582 PolarHBondContact O-OG 3.4Å; N363-N583 HydrophobicContact CB-CB 3.73Å; N363-N583 VanDerWaalsContact CG-O 3.27Å; N363-N583 PolarHBondContact ND2-O 3.03Å; N363-T584 PolarHBondContact ND2-O 2.69Å; N363-T584 PolarHBondContact OD1-O 3.06Å; N363-T584 PolarHBondContact OD1-OG1 3.19Å
364	T	29.7	Very low	31.5	Very low	57 Å²	57	82.6 Å²	82.6	35%	0.35	47%	0.474	S	S	.	.			trans	-152.2	116.3	155.8	-61	0	0	0	0	115.1	G366 A371 N372 S582 N583	T364-G366 WeakPolarHBondContact CG2-O 3.24Å; T364-A371 WeakPolarHBondContact OG1-CA 3.42Å; T364-A371 PolarHBondContact OG1-N 3.07Å; T364-N372 PolarHBondContact OG1-N 3.45Å; T364-S582 WeakPolarHBondContact CA-OG 3.48Å; T364-S582 WeakPolarHBondContact CB-OG 3.15Å; T364-S582 PolarHBondContact OG1-OG 3.37Å; T364-N583 VanDerWaalsContact C-ND2 3.27Å; T364-N583 PolarHBondContact O-ND2 3.05Å
365	C	25.3	Very low	31.2	Very low	84 Å²	84	84.9 Å²	84.9	57%	0.568	49%	0.485	S	S	*	.			trans	-170.7	93.3	154.7	-72	0	0	0	0	101.9	N583	C365-N583 HydrophobicContact CB-CB 4.29Å; C365-N583 WeakPolarHBondContact CB-ND2 2.96Å; C365-N583 WeakPolarHBondContact CB-OD1 3.42Å; C365-N583 PolarHBondContact N-ND2 3.4Å; C365-N583 WeakPolarHBondContact O-CA 3.33Å; C365-N583 WeakPolarHBondContact O-CB 3.1Å; C365-N583 PolarHBondContact O-N 2.87Å; C365-N583 PolarHBondContact O-OD1 3.46Å
366	G	31.1	Very low	31	Very low	18 Å²	18	83 Å²	83	19%	0.186	48%	0.48	C	S	.	.				-65.2	151.7	54	0	0	0	0	0	116.3	T364 S581	T364-G366 WeakPolarHBondContact CG2-O 3.24Å; G366-S581 WeakPolarHBondContact CA-OG 3.05Å; G366-S581 PolarHBondContact O-OG 2.99Å
367	I	30.1	Very low	30.6	Very low	105 Å²	105	79.9 Å²	79.9	54%	0.538	46%	0.46	S	S	.	.	S	Bend		46.6	139.1	52.5	-40.5	177.2	0	0	0	109.9	S369 S581	I367-S369 PolarHBondContact O-N 3.43Å; I367-S581 WeakPolarHBondContact O-CB 2.94Å; I367-S581 PolarHBondContact O-OG 2.86Å
368	T	24.5	Very low	30.9	Very low	27 Å²	27	72.2 Å²	72.2	17%	0.166	44%	0.437	C	S	.	.	S	Bend	trans	80.8	-80.1	177.2	114.4	0	0	0	0	115.2	V580 L608	T368-V580 VanDerWaalsContact OG1-CA 3.24Å; T368-V580 WeakPolarHBondContact OG1-CA 3.38Å; T368-V580 PolarHBondContact OG1-O 2.77Å; T368-L608 WeakPolarHBondContact CB-O 3.35Å; T368-L608 WeakPolarHBondContact CG2-O 3.49Å; T368-L608 PolarHBondContact OG1-O 2.95Å
369	S	25	Very low	30.7	Very low	46 Å²	46	73.7 Å²	73.7	32%	0.322	44%	0.435	S	S	.	.	S	Bend	trans	-156.4	-81.8	175.9	-69.2	0	0	0	0	119.6	I367 V580 R1260	I367-S369 PolarHBondContact O-N 3.43Å; S369-V580 CarbonylContact C-O 3.31Å; S369-V580 WeakPolarHBondContact CA-O 2.41Å; S369-V580 PolarHBondContact N-O 2.96Å; S369-R1260 PolarHBondContact OG-NH2 3Å
370	D	26.4	Very low	30.5	Very low	96 Å²	96	73.4 Å²	73.4	51%	0.513	43%	0.43	S	S	.	.			trans	-92.4	125.6	-147.2	-96.9	-57.1	0	0	0	117.4	V580 S581 S582	D370-V580 HydrophobicContact CB-CB 4.41Å; D370-V580 HydrophobicContact CB-CG2 4.31Å; D370-V580 PolarHBondContact N-O 2.81Å; D370-S581 VanDerWaalsContact O-O 3.11Å; D370-S582 PolarHBondContact O-OG 3.09Å
371	A	30.3	Very low	30.7	Very low	53 Å²	53	71.3 Å²	71.3	44%	0.438	41%	0.405	S	S	.	.			trans	37.6	127.6	138.6	0	0	0	0	0	120.2	N363 T364	N363-A371 CarbonylContact O-C 3.21Å; T364-A371 WeakPolarHBondContact OG1-CA 3.42Å; T364-A371 PolarHBondContact OG1-N 3.07Å
372	N	30	Very low	30.6	Very low	63 Å²	63	73.8 Å²	73.8	34%	0.337	41%	0.414	S	S	.	.				-154.7	144.3	89.3	-92.6	-80.1	0	0	0	111.9	I362 N363 T364	I362-N372 HydrophobicContact CG2-CB 4.05Å; I362-N372 WeakPolarHBondContact O-CB 3.45Å; N363-N372 CarbonylContact C-O 3.21Å; N363-N372 PolarHBondContact N-O 2.64Å; N363-N372 VanDerWaalsContact N-O 3.13Å; N363-N372 PolarHBondContact O-N 3.42Å; T364-N372 PolarHBondContact OG1-N 3.45Å
373	R	30	Very low	30.6	Very low	167 Å²	167	75 Å²	75	63%	0.63	42%	0.416	S	S	*	.			trans	49.1	127.3	139.6	-56.1	164	-168.4	-140.1	-5.7	118.2	S361 I362	S361-R373 PolarHBondContact OG-NH1 3.03Å; I362-R373 WeakPolarHBondContact O-CB 2.97Å
374	S	29.9	Very low	30.8	Very low	96 Å²	96	79.4 Å²	79.4	67%	0.671	44%	0.444	S	S	*	.			cis	-170.5	155.2	5.8	50.3	0	0	0	0	113
375	L	31.2	Very low	31.2	Very low	110 Å²	110	80.6 Å²	80.6	58%	0.576	45%	0.452	S	S	*	.			trans	44.7	127.8	135.5	-60.8	179	0	0	0	119
376	P	31.6	Very low	31.5	Very low	64 Å²	64	81.4 Å²	81.4	42%	0.416	46%	0.458	S	S	.	.	S	Bend		-99.1	113.2	102	22.9	-33.4	0	0	0	114.4	R1190	P376-R1190 PolarHBondContact O-NH1 2.91Å; P376-R1190 PolarHBondContact O-NH2 3.06Å
377	S	35	Very low	31.8	Very low	30 Å²	30	83.9 Å²	83.9	21%	0.21	47%	0.471	C	S	.	.	S	Bend	trans	72.7	60.7	146	-41.8	0	0	0	0	118.4	K1193	S377-K1193 PolarHBondContact O-NZ 3.16Å
378	G	41.6	Very low	32.1	Very low	25 Å²	25	81 Å²	81	26%	0.258	47%	0.468	S	S	.	.			trans	79	159	142.9	0	0	0	0	0	117.9	K1193	G378-K1193 WeakPolarHBondContact O-CE 3.41Å; G378-K1193 PolarHBondContact O-NZ 3.48Å
379	Q	27.7	Very low	32.6	Very low	120 Å²	120	82.8 Å²	82.8	56%	0.561	48%	0.478	S	S	*	.			cis	54.3	132	47	-51.4	167	-34	0	0	110	K1193	Q379-K1193 WeakPolarHBondContact O-CE 3.33Å; Q379-K1193 PolarHBondContact O-NZ 3.03Å
380	F	29.6	Very low	33	Very low	96 Å²	96	87.5 Å²	87.5	42%	0.421	50%	0.498	S	S	.	.			cis	-130.7	-165.5	38.6	-99.8	-76.1	0	0	0	109.6	T1194 A1280	F380-T1194 WeakPolarHBondContact O-CG2 3.22Å; F380-T1194 PolarHBondContact O-OG1 3.43Å; F380-A1280 HydrophobicContact CB-CB 4.12Å; F380-A1280 HydrophobicContact CD2-CB 4.01Å; F380-A1280 HydrophobicContact CG-CB 4.48Å
381	M	36.2	Very low	33.2	Very low	41 Å²	41	89.3 Å²	89.3	20%	0.202	51%	0.508	C	S	.	.			cis	-138.4	152.8	14.1	-162.8	178.3	-81.4	0	0	115.4	Y1195 Q1282	M381-Y1195 HydrophobicContact CB-CD1 4.38Å; M381-Y1195 HydrophobicContact CB-CE1 3.68Å; M381-Y1195 HydrophobicContact CB-CE2 3.92Å; M381-Y1195 WeakPolarHBondContact CB-OH 3.34Å; M381-Y1195 HydrophobicContact CG-CE1 4.47Å; M381-Y1195 HydrophobicContact CG-CE2 4.07Å; M381-Y1195 WeakPolarHBondContact CG-OH 3.46Å; M381-Y1195 VanDerWaalsContact O-CE1 3.26Å; M381-Y1195 WeakPolarHBondContact O-CE1 3.48Å; M381-Y1195 PolarHBondContact O-OH 3.46Å; M381-Y1195 HydrophobicContact SD-CE2 3.74Å; M381-Q1282 HydrophobicContact CE-CB 4.24Å; M381-Q1282 HydrophobicContact CE-CG 3.72Å; M381-Q1282 HydrophobicContact SD-CG 3.67Å; M381-Q1282 PolarHBondContact SD-OE1 3.47Å
382	N	33.7	Very low	33.3	Very low	121 Å²	121	91 Å²	91	65%	0.647	52%	0.516	S	S	*	.			trans	-93.6	108.9	175	-90.7	2.8	0	0	0	108.6	Y1195	N382-Y1195 PolarHBondContact N-OH 3.32Å; N382-Y1195 PolarHBondContact O-OH 3.19Å
383	H	35.4	Very low	33.4	Very low	128 Å²	128	95.2 Å²	95.2	59%	0.593	53%	0.532	S	S	*	.	S	Bend	trans	61.6	152	163.5	-58.6	-112.1	0	0	0	117.2	T385 Y1195	H383-T385 PolarHBondContact O-N 3.11Å; H383-Y1195 WeakPolarHBondContact CA-OH 3.02Å; H383-Y1195 PolarHBondContact N-OH 2.99Å; H383-Y1195 PolarHBondContact O-OH 3.44Å
384	V	33.2	Very low	33.4	Very low	120 Å²	120	96.6 Å²	96.6	73%	0.727	54%	0.538	S	S	*	.	S	Bend	trans	-68.2	123.8	-168.2	171.5	0	0	0	0	110.2
385	T	37	Very low	33.4	Very low	83 Å²	83	96.4 Å²	96.4	51%	0.509	54%	0.537	S	S	.	.			trans	10.4	141.6	156.6	45.9	0	0	0	0	119.4	H383	H383-T385 PolarHBondContact O-N 3.11Å
386	S	32	Very low	33.4	Very low	100 Å²	100	95.8 Å²	95.8	70%	0.699	54%	0.538	S	S	*	.			cis	-173.7	-149.5	0.5	-149.1	0	0	0	0	106.2
387	P	38.4	Very low	33.3	Very low	71 Å²	71	100.4 Å²	100.4	46%	0.461	55%	0.554	S	S	.	*			cis	-104.6	-150	-41	4.6	20.9	0	0	0	110.4	I2439	P387-I2439 WeakPolarHBondContact CD-O 3.23Å
388	G	35.7	Very low	33.4	Very low	45 Å²	45	102 Å²	102	46%	0.464	56%	0.564	S	S	.	*			cis	138.4	86.3	-21.7	0	0	0	0	0	115.3	H2441	G388-H2441 PolarHBondContact N-CD2 3.12Å; G388-H2441 VanDerWaalsContact N-N 3.18Å
389	V	34.7	Very low	32.7	Very low	64 Å²	64	106.8 Å²	106.8	39%	0.388	58%	0.583	S	S	.	*			trans	-141.5	113.3	172.7	161.1	0	0	0	0	112.1	H2441	V389-H2441 HydrophobicContact CB-CB 3.87Å; V389-H2441 HydrophobicContact CG2-CB 4.28Å; V389-H2441 PolarHBondContact N-CE1 3.27Å; V389-H2441 VanDerWaalsContact N-CG 3.32Å; V389-H2441 PolarHBondContact N-ND1 2.92Å; V389-H2441 VanDerWaalsContact N-ND1 3.17Å; V389-H2441 PolarHBondContact N-NE2 3.47Å; V389-H2441 PolarHBondContact O-CE1 2.76Å; V389-H2441 PolarHBondContact O-ND1 2.8Å
390	I	32.6	Very low	32.7	Very low	145 Å²	145	109.8 Å²	109.8	74%	0.744	60%	0.597	S	S	*	*			trans	64.9	128.5	149.3	-61	176.4	0	0	0	118.6
391	D	31.5	Very low	32.8	Very low	133 Å²	133	109.5 Å²	109.5	71%	0.711	61%	0.606	S	S	*	*			cis	-163.5	174.7	-20.2	-123	-35.4	0	0	0	115.3
392	S	33.1	Very low	32.4	Very low	88 Å²	88	118 Å²	118	62%	0.615	64%	0.636	S	S	*	*			trans	71.9	87.4	151.1	-67.5	0	0	0	0	123.2
393	F	30.4	Very low	32	Very low	152 Å²	152	119.3 Å²	119.3	67%	0.667	64%	0.643	S	S	*	*				73.2	124.2	115.3	-68.2	-57.2	0	0	0	125.9
394	Y	30.1	Very low	31.6	Very low	196 Å²	196	116.9 Å²	116.9	77%	0.769	64%	0.644	S	S	*	*			trans	64.2	149.7	145	-62.7	-48.6	0	0	0	119.8
395	S	29.8	Very low	31.4	Very low	93 Å²	93	116.8 Å²	116.8	65%	0.65	64%	0.644	S	S	*	*			cis	-166.9	163.6	-3.3	-114.8	0	0	0	0	110.8
396	T	31.9	Very low	31	Very low	96 Å²	96	114.4 Å²	114.4	59%	0.589	63%	0.631	S	S	*	*			cis	-165.7	146.4	-30.7	15.6	0	0	0	0	110.4
397	H	30.8	Very low	30.9	Very low	161 Å²	161	110.3 Å²	110.3	75%	0.745	60%	0.601	S	S	*	*			trans	59.5	144.7	157.2	-52	-48.6	0	0	0	121.2
398	P	36.2	Very low	30.7	Very low	65 Å²	65	108.2 Å²	108.2	42%	0.422	59%	0.59	S	S	.	*	S	Bend		-117.3	164	79.5	37.7	-35.5	0	0	0	112.8	K1274	P398-K1274 HydrophobicContact CG-CB 4.24Å
399	L	27.1	Very low	30.5	Very low	124 Å²	124	109.9 Å²	109.9	65%	0.649	59%	0.594	S	S	*	*			cis	-117.3	162.5	9.3	-66.5	159.2	0	0	0	111.7
400	Q	27.6	Very low	30.4	Very low	184 Å²	184	108.5 Å²	108.5	86%	0.86	59%	0.593	S	S	*	*			trans	-71.7	143.4	146.7	-83.7	-170.6	-11.2	0	0	109.1
401	S	31.9	Very low	31.1	Very low	89 Å²	89	108.5 Å²	108.5	62%	0.622	59%	0.593	S	S	*	*	S	Bend	trans	70.3	156.1	166.3	87.7	0	0	0	0	115.3
402	R	28.1	Very low	31.4	Very low	219 Å²	219	108 Å²	108	83%	0.826	60%	0.595	S	S	*	*				49.1	137.4	100.3	-55.6	176.3	-177.8	-165.4	0.2	114.4
403	L	24.7	Very low	31.3	Very low	150 Å²	150	110 Å²	110	79%	0.785	60%	0.599	S	S	*	*			cis	-156.6	154.1	-2.7	-120.8	167.4	0	0	0	109.8
404	A	25.9	Very low	31.5	Very low	76 Å²	76	108.2 Å²	108.2	63%	0.628	61%	0.605	S	S	*	*			trans	19.6	130.9	153	0	0	0	0	0	121.3
405	V	29.5	Very low	32.1	Very low	118 Å²	118	106 Å²	106	72%	0.715	61%	0.612	S	S	*	*			trans	75.7	168.5	131.7	159.2	0	0	0	0	116.7
406	S	29.8	Very low	32.4	Very low	34 Å²	34	112.1 Å²	112.1	24%	0.238	62%	0.62	C	S	.	*				-171.4	116.9	-64.1	-101.9	0	0	0	0	108.4	V1184 Y1185 A1186 V1187	S406-V1184 WeakPolarHBondContact O-CG1 3.17Å; S406-Y1185 CarbonylContact C-O 2.86Å; S406-Y1185 WeakPolarHBondContact CB-O 3.4Å; S406-A1186 WeakPolarHBondContact OG-CA 3.06Å; S406-V1187 PolarHBondContact OG-N 3.32Å
407	I	29.7	Very low	32.7	Very low	14 Å²	14	111.4 Å²	111.4	7%	0.072	62%	0.619	C	S	.	*			trans	66.2	-148	162.8	117.2	177.9	0	0	0	118.3	Y1185 A1186 V1187 T1266 H1267 K1268	I407-Y1185 WeakPolarHBondContact CA-O 3.22Å; I407-Y1185 PolarHBondContact N-O 2.85Å; I407-A1186 VanDerWaalsContact CG1-O 3.32Å; I407-A1186 WeakPolarHBondContact CG1-O 3.05Å; I407-A1186 WeakPolarHBondContact CG2-O 3.27Å; I407-V1187 HydrophobicContact CG2-CB 4.37Å; I407-V1187 HydrophobicContact CG2-CG2 3.4Å; I407-T1266 HydrophobicContact CD1-CG2 3.91Å; I407-H1267 HydrophobicContact CD1-CB 4.3Å; I407-H1267 WeakPolarHBondContact CD1-ND1 3.1Å; I407-K1268 HydrophobicContact CB-CB 4.12Å; I407-K1268 HydrophobicContact CB-CD 4.23Å; I407-K1268 HydrophobicContact CG2-CB 3.5Å; I407-K1268 VanDerWaalsContact CG2-CB 3.5Å; I407-K1268 HydrophobicContact CG2-CD 4.11Å; I407-K1268 HydrophobicContact CG2-CG 4.35Å; I407-K1268 WeakPolarHBondContact O-CD 3.37Å; I407-K1268 PolarHBondContact O-NZ 3.43Å
408	A	32.8	Very low	33.5	Very low	27 Å²	27	108.4 Å²	108.4	22%	0.223	62%	0.622	C	S	.	*			trans	-171.5	-155.6	-164.8	0	0	0	0	0	106.4	V1184 Y1185 H1267	A408-V1184 VanDerWaalsContact O-CG1 3.32Å; A408-V1184 WeakPolarHBondContact O-CG1 3.42Å; A408-Y1185 WeakPolarHBondContact O-CD2 3.35Å; A408-H1267 HydrophobicContact CB-CB 4.03Å
409	S	33	Very low	34.2	Very low	79 Å²	79	110.5 Å²	110.5	55%	0.552	63%	0.634	S	S	*	*			trans	-135.7	151.7	167.1	-62	0	0	0	0	111.5
410	G	32.7	Very low	35.5	Very low	36 Å²	36	109.5 Å²	109.5	37%	0.371	63%	0.629	S	S	.	*			trans	-83.3	141	155	0	0	0	0	0	108.8	H1267	G410-H1267 PolarHBondContact N-NE2 3.2Å
411	I	46.5	Very low	37.1	Very low	145 Å²	145	105.4 Å²	105.4	74%	0.744	62%	0.617	S	S	*	*			trans	-112.4	134.9	-169.6	-56.3	162.9	0	0	0	109.6
412	T	38.3	Very low	38.9	Very low	123 Å²	123	106.9 Å²	106.9	76%	0.755	62%	0.617	S	S	*	*			trans	-170.8	144.4	136.2	46.2	0	0	0	0	108.1
413	D	30.6	Very low	41.1	Very low	130 Å²	130	99 Å²	99	70%	0.695	60%	0.6	S	S	*	*			cis	-153.3	146.4	-22.8	-97	-35.9	0	0	0	109.3
414	S	35.5	Very low	43.4	Very low	113 Å²	113	99 Å²	99	79%	0.79	60%	0.595	S	S	*	*			trans	-173.2	94.8	155.4	-85.8	0	0	0	0	111.4
415	V	41.2	Very low	46.3	Very low	150 Å²	150	99.8 Å²	99.8	91%	0.909	59%	0.588	S	S	*	*			trans	1.6	117.2	154.9	-172.8	0	0	0	0	116.3
416	R	36.9	Very low	48.9	Very low	222 Å²	222	99.2 Å²	99.2	84%	0.838	58%	0.578	S	S	*	*			trans	-134.9	145.2	158.9	-84.4	-164.7	165.3	-167.3	-5.1	113.3
417	S	38.1	Very low	51.5	Low	81 Å²	81	103.3 Å²	103.3	57%	0.566	59%	0.593	S	S	*	*			trans	-35.8	146.2	-178	-177.3	0	0	0	0	116.6	T419	S417-T419 WeakPolarHBondContact CB-OG1 3.41Å; S417-T419 PolarHBondContact O-N 2.81Å; S417-T419 PolarHBondContact OG-OG1 3.01Å
418	A	47	Very low	54	Low	97 Å²	97	105.1 Å²	105.1	80%	0.802	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	38	175.2	0	0	0	0	0	114.4
419	T	52.1	Low	56.7	Low	109 Å²	109	108.5 Å²	108.5	67%	0.669	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	-10.3	-179.3	42.3	0	0	0	0	113.7	S417	S417-T419 WeakPolarHBondContact CB-OG1 3.41Å; S417-T419 PolarHBondContact O-N 2.81Å; S417-T419 PolarHBondContact OG-OG1 3.01Å
420	D	52.7	Low	59.1	Low	103 Å²	103	112 Å²	112	55%	0.551	62%	0.623	S	S	*	*	S	Bend	trans	-81.4	-23.2	175	-105.7	-40.4	0	0	0	113.4	D422 A423 E424	D420-D422 PolarHBondContact O-N 3.38Å; D420-A423 WeakPolarHBondContact O-CB 3.16Å; D420-A423 PolarHBondContact O-N 2.91Å; D420-E424 PolarHBondContact O-N 3.14Å; D420-E424 VanDerWaalsContact O-N 3.09Å
421	V	62.1	Low	61.6	Low	99 Å²	99	115.7 Å²	115.7	60%	0.6	63%	0.63	S	S	*	*	H	α-helix	trans	-63.8	-43.4	-168.2	-174	0	0	0	0	113.1	A423 E424 L425	V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 2.92Å; V421-E424 PolarHBondContact O-N 3.4Å; V421-L425 WeakPolarHBondContact O-CB 3.47Å; V421-L425 PolarHBondContact O-N 2.78Å
422	D	70.7	Confident	63.3	Low	119 Å²	119	111.1 Å²	111.1	64%	0.636	62%	0.615	S	S	*	*	H	α-helix	trans	-70.3	-28.4	178.4	-81.8	-38.7	0	0	0	112.9	D420 Q426	D420-D422 PolarHBondContact O-N 3.38Å; D422-Q426 PolarHBondContact O-N 2.93Å
423	A	72.5	Confident	65.3	Low	55 Å²	55	112.4 Å²	112.4	46%	0.455	61%	0.605	S	S	.	*	H	α-helix	trans	-69.2	-45.7	175.1	0	0	0	0	0	110.5	D420 V421 Q426 Q427	D420-A423 WeakPolarHBondContact O-CB 3.16Å; D420-A423 PolarHBondContact O-N 2.91Å; V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 2.92Å; A423-Q426 PolarHBondContact O-N 3.33Å; A423-Q427 WeakPolarHBondContact O-CB 3.18Å; A423-Q427 PolarHBondContact O-N 2.98Å
424	E	74.8	Confident	68.1	Low	149 Å²	149	109.9 Å²	109.9	70%	0.696	60%	0.595	S	S	*	*	H	α-helix	trans	-61.8	-43.1	174.1	-171.8	166.2	-149.2	0	0	111.5	D420 V421 Q427 A428	D420-E424 PolarHBondContact O-N 3.14Å; D420-E424 VanDerWaalsContact O-N 3.09Å; V421-E424 PolarHBondContact O-N 3.4Å; E424-Q427 PolarHBondContact O-N 3.48Å; E424-A428 WeakPolarHBondContact O-CB 3.45Å; E424-A428 PolarHBondContact O-N 3.42Å
425	L	85.2	Confident	70.5	Confident	92 Å²	92	110.6 Å²	110.6	48%	0.482	59%	0.586	S	S	.	*	H	α-helix	trans	-61.7	-45.6	177.2	-177.2	60.1	0	0	0	112.6	V421 Q427 A428 Q429	V421-L425 WeakPolarHBondContact O-CB 3.47Å; V421-L425 PolarHBondContact O-N 2.78Å; L425-Q427 VanDerWaalsContact C-N 3.32Å; L425-Q427 PolarHBondContact O-N 2.78Å; L425-A428 PolarHBondContact O-N 2.73Å; L425-Q429 WeakPolarHBondContact O-CG 3.44Å; L425-Q429 PolarHBondContact O-N 3Å
426	Q	84	Confident	72.6	Confident	106 Å²	106	109.5 Å²	109.5	50%	0.495	57%	0.571	S	S	.	*	H	α-helix	trans	-64.7	-35.7	174.4	-79.9	-158.1	33.7	0	0	112.7	D422 A423 Q429 R430	D422-Q426 PolarHBondContact O-N 2.93Å; A423-Q426 PolarHBondContact O-N 3.33Å; Q426-Q429 PolarHBondContact O-N 2.88Å; Q426-R430 WeakPolarHBondContact O-CG 3.42Å; Q426-R430 PolarHBondContact O-N 2.96Å; Q426-R430 VanDerWaalsContact O-N 3.16Å
427	Q	84.2	Confident	75.1	Confident	120 Å²	120	105.8 Å²	105.8	56%	0.561	56%	0.561	S	S	*	*	H	α-helix	trans	-68.8	-41.5	178.3	-171.7	160	-19.2	0	0	111.1	A423 E424 L425 R430 Q431	A423-Q427 WeakPolarHBondContact O-CB 3.18Å; A423-Q427 PolarHBondContact O-N 2.98Å; E424-Q427 PolarHBondContact O-N 3.48Å; L425-Q427 VanDerWaalsContact C-N 3.32Å; L425-Q427 PolarHBondContact O-N 2.78Å; Q427-R430 PolarHBondContact O-N 3.17Å; Q427-Q431 WeakPolarHBondContact O-CG 2.99Å; Q427-Q431 PolarHBondContact O-N 3.43Å
428	A	82.1	Confident	77.4	Confident	52 Å²	52	108.4 Å²	108.4	43%	0.43	56%	0.562	S	S	.	*	H	α-helix	trans	-58.6	-47.1	171.7	0	0	0	0	0	112	E424 L425 R430 Q431 A432	E424-A428 WeakPolarHBondContact O-CB 3.45Å; E424-A428 PolarHBondContact O-N 3.42Å; L425-A428 PolarHBondContact O-N 2.73Å; A428-R430 VanDerWaalsContact C-N 3.26Å; A428-R430 PolarHBondContact O-N 2.86Å; A428-Q431 PolarHBondContact O-N 3.22Å; A428-Q431 VanDerWaalsContact O-N 3.13Å; A428-A432 PolarHBondContact O-N 2.78Å
429	Q	89.6	Confident	79.4	Confident	99 Å²	99	107.7 Å²	107.7	46%	0.463	55%	0.545	S	S	.	.	H	α-helix	trans	-63.9	-25.5	177.5	-73.4	-175.4	6.7	0	0	114.4	L425 Q426 R433	L425-Q429 WeakPolarHBondContact O-CG 3.44Å; L425-Q429 PolarHBondContact O-N 3Å; Q426-Q429 PolarHBondContact O-N 2.88Å; Q429-R433 PolarHBondContact O-NE 3.02Å; Q429-R433 VanDerWaalsContact O-NE 3.14Å
430	R	83.2	Confident	80.9	Confident	152 Å²	152	104.7 Å²	104.7	57%	0.574	53%	0.531	S	S	*	.	H	α-helix	trans	-78.6	-38.7	173	-68.7	172.9	-158	-140.1	6.9	111.1	Q426 Q427 A428 T434	Q426-R430 WeakPolarHBondContact O-CG 3.42Å; Q426-R430 PolarHBondContact O-N 2.96Å; Q426-R430 VanDerWaalsContact O-N 3.16Å; Q427-R430 PolarHBondContact O-N 3.17Å; A428-R430 VanDerWaalsContact C-N 3.26Å; A428-R430 PolarHBondContact O-N 2.86Å; R430-T434 WeakPolarHBondContact O-CB 3.38Å; R430-T434 PolarHBondContact O-N 2.89Å; R430-T434 PolarHBondContact O-OG1 2.68Å
431	Q	85.5	Confident	82.6	Confident	113 Å²	113	102.6 Å²	102.6	53%	0.528	52%	0.522	S	S	.	.	H	α-helix	trans	-66.6	-43.3	175.7	-69.7	-178.1	12.2	0	0	112	Q427 A428 T434 Q435	Q427-Q431 WeakPolarHBondContact O-CG 2.99Å; Q427-Q431 PolarHBondContact O-N 3.43Å; A428-Q431 PolarHBondContact O-N 3.22Å; A428-Q431 VanDerWaalsContact O-N 3.13Å; Q431-T434 WeakPolarHBondContact O-CB 3.29Å; Q431-T434 PolarHBondContact O-N 3.48Å; Q431-Q435 PolarHBondContact O-N 2.61Å
432	A	82.6	Confident	83.8	Confident	50 Å²	50	102.3 Å²	102.3	41%	0.413	51%	0.514	S	S	.	.	H	α-helix	trans	-55.2	-57.3	176.9	0	0	0	0	0	112.1	A428 T434 Q435 E436	A428-A432 PolarHBondContact O-N 2.78Å; A432-T434 PolarHBondContact O-N 3.01Å; A432-Q435 PolarHBondContact O-N 2.79Å; A432-E436 PolarHBondContact O-N 3.08Å
433	R	81.4	Confident	84.2	Confident	149 Å²	149	104.6 Å²	104.6	56%	0.562	51%	0.514	S	S	*	.	H	α-helix	trans	-58.6	-31.6	177.7	-75.2	-177.6	-78.2	-178.8	-10.7	113.4	Q429 F437	Q429-R433 PolarHBondContact O-NE 3.02Å; Q429-R433 VanDerWaalsContact O-NE 3.14Å; R433-F437 PolarHBondContact O-N 3.17Å; R433-F437 VanDerWaalsContact O-N 3.12Å
434	T	88.4	Confident	84.5	Confident	78 Å²	78	104.3 Å²	104.3	48%	0.479	51%	0.511	S	S	.	.	H	α-helix	trans	-72.1	-33.3	176.1	-55.1	0	0	0	0	112.2	R430 Q431 A432 K438	R430-T434 WeakPolarHBondContact O-CB 3.38Å; R430-T434 PolarHBondContact O-N 2.89Å; R430-T434 PolarHBondContact O-OG1 2.68Å; Q431-T434 WeakPolarHBondContact O-CB 3.29Å; Q431-T434 PolarHBondContact O-N 3.48Å; A432-T434 PolarHBondContact O-N 3.01Å; T434-K438 WeakPolarHBondContact O-CG 3.04Å; T434-K438 PolarHBondContact O-N 3.36Å
435	Q	85.1	Confident	84.9	Confident	127 Å²	127	103.5 Å²	103.5	59%	0.593	51%	0.507	S	S	*	.	H	α-helix	trans	-72.5	-42.3	172	-71.2	-171.5	-0.4	0	0	111.9	Q431 A432 F437 K438 N439	Q431-Q435 PolarHBondContact O-N 2.61Å; A432-Q435 PolarHBondContact O-N 2.79Å; Q435-F437 VanDerWaalsContact C-N 3.35Å; Q435-F437 PolarHBondContact O-N 3.34Å; Q435-K438 PolarHBondContact O-N 2.86Å; Q435-N439 WeakPolarHBondContact O-CB 3.22Å; Q435-N439 VanDerWaalsContact O-CG 3.26Å; Q435-N439 PolarHBondContact O-N 3.11Å
436	E	85.3	Confident	84.7	Confident	127 Å²	127	104.7 Å²	104.7	59%	0.593	51%	0.511	S	S	*	.	H	α-helix	trans	-58.6	-44.9	177.1	-69.8	-177.8	135.4	0	0	112.2	A432 K438 N439 A440	A432-E436 PolarHBondContact O-N 3.08Å; E436-K438 PolarHBondContact O-N 3.31Å; E436-N439 PolarHBondContact O-N 3.33Å; E436-A440 WeakPolarHBondContact O-CB 3.27Å; E436-A440 PolarHBondContact O-N 2.76Å
437	F	89.4	Confident	84.2	Confident	144 Å²	144	102.1 Å²	102.1	63%	0.632	51%	0.507	S	S	*	.	H	α-helix	trans	-59.5	-44.5	175.4	-178.3	-103.3	0	0	0	112.1	R433 Q435 A440 V441	R433-F437 PolarHBondContact O-N 3.17Å; R433-F437 VanDerWaalsContact O-N 3.12Å; Q435-F437 VanDerWaalsContact C-N 3.35Å; Q435-F437 PolarHBondContact O-N 3.34Å; F437-A440 WeakPolarHBondContact O-CB 3.49Å; F437-A440 PolarHBondContact O-N 3.03Å; F437-V441 HydrophobicContact CD1-CG2 4.46Å; F437-V441 HydrophobicContact CE1-CG2 4.07Å; F437-V441 HydrophobicContact CE2-CG2 4.41Å; F437-V441 HydrophobicContact CZ-CG2 4.04Å; F437-V441 WeakPolarHBondContact O-CG2 3.45Å; F437-V441 PolarHBondContact O-N 3.45Å
438	K	87.9	Confident	83.8	Confident	137 Å²	137	105 Å²	105	60%	0.596	51%	0.513	S	S	*	.	H	α-helix	trans	-63	-44.8	175.8	-73.2	179.2	177.8	-174.5	0	112	T434 Q435 E436 A440 V441 E442	T434-K438 WeakPolarHBondContact O-CG 3.04Å; T434-K438 PolarHBondContact O-N 3.36Å; Q435-K438 PolarHBondContact O-N 2.86Å; E436-K438 PolarHBondContact O-N 3.31Å; K438-A440 PolarHBondContact O-N 2.75Å; K438-V441 PolarHBondContact O-N 3.35Å; K438-V441 VanDerWaalsContact O-N 3.16Å; K438-E442 PolarHBondContact O-N 3.09Å
439	N	88.1	Confident	83.2	Confident	81 Å²	81	105.2 Å²	105.2	43%	0.433	52%	0.515	S	S	.	.	H	α-helix	trans	-66.9	-22	177.2	-67	-10.3	0	0	0	112.8	Q435 E436 R443	Q435-N439 WeakPolarHBondContact O-CB 3.22Å; Q435-N439 VanDerWaalsContact O-CG 3.26Å; Q435-N439 PolarHBondContact O-N 3.11Å; E436-N439 PolarHBondContact O-N 3.33Å; N439-R443 WeakPolarHBondContact O-CG 3.14Å; N439-R443 PolarHBondContact O-NE 2.96Å
440	A	83	Confident	82.1	Confident	46 Å²	46	109.7 Å²	109.7	38%	0.38	53%	0.528	S	S	.	.	H	α-helix	trans	-77.9	-42.8	170.2	0	0	0	0	0	111.8	E436 F437 K438 R443 A444	E436-A440 WeakPolarHBondContact O-CB 3.27Å; E436-A440 PolarHBondContact O-N 2.76Å; F437-A440 WeakPolarHBondContact O-CB 3.49Å; F437-A440 PolarHBondContact O-N 3.03Å; K438-A440 PolarHBondContact O-N 2.75Å; A440-R443 PolarHBondContact O-N 2.93Å; A440-A444 WeakPolarHBondContact O-CB 3.29Å; A440-A444 PolarHBondContact O-N 3.49Å
441	V	89.8	Confident	81.2	Confident	59 Å²	59	109.1 Å²	109.1	36%	0.358	53%	0.531	S	S	.	.	H	α-helix	trans	-65.9	-42.6	176.8	174.5	0	0	0	0	112	F437 K438 R443 A444 Q445	F437-V441 HydrophobicContact CD1-CG2 4.46Å; F437-V441 HydrophobicContact CE1-CG2 4.07Å; F437-V441 HydrophobicContact CE2-CG2 4.41Å; F437-V441 HydrophobicContact CZ-CG2 4.04Å; F437-V441 WeakPolarHBondContact O-CG2 3.45Å; F437-V441 PolarHBondContact O-N 3.45Å; K438-V441 PolarHBondContact O-N 3.35Å; K438-V441 VanDerWaalsContact O-N 3.16Å; V441-R443 PolarHBondContact O-N 2.79Å; V441-A444 PolarHBondContact O-N 2.72Å; V441-Q445 WeakPolarHBondContact O-CG 3.48Å; V441-Q445 PolarHBondContact O-N 3.44Å
442	E	86.1	Confident	80	Confident	93 Å²	93	112 Å²	112	44%	0.435	54%	0.542	S	S	.	.	H	α-helix	trans	-59.6	-46.2	175.3	-172.4	-178	161.4	0	0	110.6	K438 A444 Q445 Q446 K1274	K438-E442 PolarHBondContact O-N 3.09Å; E442-A444 PolarHBondContact O-N 3.26Å; E442-Q445 PolarHBondContact O-N 3.36Å; E442-Q446 WeakPolarHBondContact O-CB 3.45Å; E442-Q446 PolarHBondContact O-N 3.18Å; E442-K1274 IonicContact OE1-NZ 3.11Å; E442-K1274 PolarHBondContact OE1-NZ 2.75Å
443	R	80.4	Confident	78.4	Confident	168 Å²	168	117 Å²	117	63%	0.634	56%	0.561	S	S	*	*	H	α-helix	trans	-60.7	-42.1	174.4	-81.4	-178.4	-72.9	174	-2.8	112.6	N439 A440 V441 Q445 Q446 A447	N439-R443 WeakPolarHBondContact O-CG 3.14Å; N439-R443 PolarHBondContact O-NE 2.96Å; A440-R443 PolarHBondContact O-N 2.93Å; V441-R443 PolarHBondContact O-N 2.79Å; R443-Q445 PolarHBondContact O-N 3.4Å; R443-Q446 PolarHBondContact O-N 3.13Å; R443-A447 WeakPolarHBondContact O-CB 3.32Å; R443-A447 PolarHBondContact O-N 3.46Å
444	A	79.2	Confident	76.6	Confident	48 Å²	48	114.3 Å²	114.3	40%	0.397	57%	0.565	S	S	.	*	H	α-helix	trans	-65.6	-36.3	178	0	0	0	0	0	112.6	A440 V441 E442 R448	A440-A444 WeakPolarHBondContact O-CB 3.29Å; A440-A444 PolarHBondContact O-N 3.49Å; V441-A444 PolarHBondContact O-N 2.72Å; E442-A444 PolarHBondContact O-N 3.26Å; A444-R448 WeakPolarHBondContact O-CG 3.35Å; A444-R448 PolarHBondContact O-N 3.37Å
445	Q	82.1	Confident	74.1	Confident	132 Å²	132	118.9 Å²	118.9	62%	0.617	58%	0.581	S	S	*	*	H	α-helix	trans	-72.9	-42.3	174.4	-72.6	-178.2	-15.2	0	0	112	V441 E442 R443 A447 R448 A449	V441-Q445 WeakPolarHBondContact O-CG 3.48Å; V441-Q445 PolarHBondContact O-N 3.44Å; E442-Q445 PolarHBondContact O-N 3.36Å; R443-Q445 PolarHBondContact O-N 3.4Å; Q445-A447 VanDerWaalsContact C-N 3.3Å; Q445-A447 PolarHBondContact O-N 3.35Å; Q445-R448 PolarHBondContact O-N 3.06Å; Q445-R448 VanDerWaalsContact O-N 3.16Å; Q445-A449 PolarHBondContact O-N 2.98Å
446	Q	81.7	Confident	71.5	Confident	118 Å²	118	117.7 Å²	117.7	55%	0.551	59%	0.587	S	S	*	*	H	α-helix	trans	-66.9	-31.8	178.7	-161.8	170.7	57.1	0	0	112.3	E442 R443 R450	E442-Q446 WeakPolarHBondContact O-CB 3.45Å; E442-Q446 PolarHBondContact O-N 3.18Å; R443-Q446 PolarHBondContact O-N 3.13Å; Q446-R450 PolarHBondContact O-N 3.15Å; Q446-R450 VanDerWaalsContact O-N 3.12Å
447	A	73.3	Confident	68.9	Low	52 Å²	52	117.1 Å²	117.1	43%	0.43	60%	0.596	S	S	.	*	H	α-helix	trans	-63.5	-47.9	168.3	0	0	0	0	0	112.1	R443 Q445 A449 R450 Q451	R443-A447 WeakPolarHBondContact O-CB 3.32Å; R443-A447 PolarHBondContact O-N 3.46Å; Q445-A447 VanDerWaalsContact C-N 3.3Å; Q445-A447 PolarHBondContact O-N 3.35Å; A447-A449 VanDerWaalsContact C-N 3.3Å; A447-A449 PolarHBondContact O-N 2.73Å; A447-R450 PolarHBondContact O-N 3.22Å; A447-Q451 PolarHBondContact O-N 3.48Å
448	R	74.7	Confident	65.9	Low	179 Å²	179	115.5 Å²	115.5	68%	0.675	60%	0.602	S	S	*	*	H	α-helix	trans	-63.2	-33.6	176.3	-70.6	174.9	-169.5	-161.1	3.5	113	A444 Q445 Q451 K452	A444-R448 WeakPolarHBondContact O-CG 3.35Å; A444-R448 PolarHBondContact O-N 3.37Å; Q445-R448 PolarHBondContact O-N 3.06Å; Q445-R448 VanDerWaalsContact O-N 3.16Å; R448-Q451 PolarHBondContact O-N 3.26Å; R448-K452 PolarHBondContact O-N 2.97Å
449	A	69.8	Low	63.2	Low	57 Å²	57	114.3 Å²	114.3	47%	0.471	61%	0.606	S	S	.	*	H	α-helix	trans	-66.4	-44.2	174.6	0	0	0	0	0	111.5	Q445 A447 Q451 K452	Q445-A449 PolarHBondContact O-N 2.98Å; A447-A449 VanDerWaalsContact C-N 3.3Å; A447-A449 PolarHBondContact O-N 2.73Å; A449-Q451 VanDerWaalsContact C-N 3.31Å; A449-Q451 PolarHBondContact O-N 3.33Å; A449-K452 PolarHBondContact O-N 3.19Å; A449-K452 VanDerWaalsContact O-N 3.1Å
450	R	66.9	Low	60.4	Low	194 Å²	194	117.9 Å²	117.9	73%	0.732	62%	0.62	S	S	*	*	H	α-helix	trans	-62.3	-36.6	175.1	-77.5	-177	164.9	-165.4	-7.1	112.8	Q446 A447 K452 L453 S454	Q446-R450 PolarHBondContact O-N 3.15Å; Q446-R450 VanDerWaalsContact O-N 3.12Å; A447-R450 PolarHBondContact O-N 3.22Å; R450-K452 PolarHBondContact O-N 2.9Å; R450-L453 PolarHBondContact O-N 2.96Å; R450-S454 PolarHBondContact O-OG 3.08Å
451	Q	65.3	Low	57.9	Low	139 Å²	139	121.1 Å²	121.1	65%	0.65	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-14.5	174.6	-72.7	179.7	-44.1	0	0	114.5	A447 R448 A449	A447-Q451 PolarHBondContact O-N 3.48Å; R448-Q451 PolarHBondContact O-N 3.26Å; A449-Q451 VanDerWaalsContact C-N 3.31Å; A449-Q451 PolarHBondContact O-N 3.33Å
452	K	59.7	Low	55.2	Low	174 Å²	174	121.1 Å²	121.1	76%	0.757	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-6.5	174.8	-75.5	-162.3	168.7	-159.1	0	114.8	R448 A449 R450	R448-K452 PolarHBondContact O-N 2.97Å; A449-K452 PolarHBondContact O-N 3.19Å; A449-K452 VanDerWaalsContact O-N 3.1Å; R450-K452 PolarHBondContact O-N 2.9Å
453	L	48.4	Very low	52.7	Low	154 Å²	154	122.2 Å²	122.2	81%	0.806	64%	0.638	S	S	*	*	S	Bend	trans	-98.1	10.6	171.8	-70.1	168.5	0	0	0	112.1	R450	R450-L453 PolarHBondContact O-N 2.96Å
454	S	43.5	Very low	50.4	Low	93 Å²	93	120.1 Å²	120.1	65%	0.65	64%	0.637	S	S	*	*	S	Bend	trans	-99.6	2.6	178.6	-44.7	0	0	0	0	113.7	R450	R450-S454 PolarHBondContact O-OG 3.08Å
455	E	36	Very low	48	Very low	174 Å²	174	123.9 Å²	123.9	81%	0.813	65%	0.65	S	S	*	*	S	Bend	trans	-121.6	29.3	-171.4	-65.7	-169.4	135.4	0	0	114.2
456	S	30.7	Very low	46	Very low	102 Å²	102	121.5 Å²	121.5	71%	0.713	65%	0.646	S	S	*	*	S	Bend	trans	-176.5	114.6	156.8	56.9	0	0	0	0	110.5
457	C	30.1	Very low	43.8	Very low	115 Å²	115	121 Å²	121	78%	0.777	64%	0.642	S	S	*	*			cis	-131.9	148.4	-8.4	-55.9	0	0	0	0	107.5
458	S	27.5	Very low	41.7	Very low	110 Å²	110	123.5 Å²	123.5	77%	0.769	66%	0.656	S	S	*	*				24.7	108	93.6	-158.6	0	0	0	0	112.3
459	V	30.7	Very low	39.6	Very low	112 Å²	112	119.2 Å²	119.2	68%	0.679	66%	0.659	S	S	*	*				-157.2	138.4	64.5	158.9	0	0	0	0	105.6
460	E	28.5	Very low	37.9	Very low	156 Å²	156	125.1 Å²	125.1	73%	0.729	68%	0.681	S	S	*	*			cis	-153.4	159.6	10.2	-117.1	160.4	-174.2	0	0	110.9
461	N	31.2	Very low	36.1	Very low	114 Å²	114	119.1 Å²	119.1	61%	0.61	68%	0.68	S	S	*	*			trans	36.8	140.8	138.8	-54.5	-2.2	0	0	0	122
462	D	32.4	Very low	34.5	Very low	59 Å²	59	120.8 Å²	120.8	32%	0.316	69%	0.693	S	S	.	*			cis	-171.4	156.8	-17.5	-126.2	-102.3	0	0	0	108.6	Q2249 N2250	D462-Q2249 PolarHBondContact OD1-NE2 2.89Å; D462-N2250 PolarHBondContact OD1-ND2 3.15Å; D462-N2250 PolarHBondContact OD2-ND2 3.11Å
463	N	34.2	Very low	33.1	Very low	117 Å²	117	119.9 Å²	119.9	63%	0.626	70%	0.695	S	S	*	*			trans	45.4	147.8	152	-60.2	-25.5	0	0	0	123.2	Q2249	N463-Q2249 PolarHBondContact ND2-NE2 2.79Å
464	M	32.8	Very low	32.4	Very low	123 Å²	123	116.4 Å²	116.4	61%	0.606	68%	0.682	S	S	*	*			cis	-159.6	152.3	-14.7	-111.1	-68.7	-103.4	0	0	108.4
465	L	27.9	Very low	31.7	Very low	128 Å²	128	115.5 Å²	115.5	67%	0.67	68%	0.675	S	S	*	*			trans	-91.1	154.9	-178.9	-83.3	167.1	0	0	0	113.6	T88	T88-L465 WeakPolarHBondContact CG2-O 3.13Å
466	P	41	Very low	31.5	Very low	81 Å²	81	110.8 Å²	110.8	53%	0.526	65%	0.654	S	S	.	*			trans	-94.8	-178.2	-174.4	40.1	-38.9	0	0	0	113.5
467	K	34.6	Very low	31.6	Very low	109 Å²	109	110 Å²	110	47%	0.474	65%	0.649	S	S	.	*			trans	-170.8	116.2	132.2	-97.9	141.2	-154.9	139.3	0	117.1	P86	P86-K467 HydrophobicContact CG-CD 3.99Å
468	S	29.7	Very low	31.5	Very low	103 Å²	103	109 Å²	109	72%	0.72	63%	0.633	S	S	*	*				47.1	110.9	112.5	-47.1	0	0	0	0	122.7
469	A	31.4	Very low	31.8	Very low	90 Å²	90	110.8 Å²	110.8	74%	0.744	63%	0.634	S	S	*	*				65.7	134.5	115.3	0	0	0	0	0	122.3
470	L	32.8	Very low	31.7	Very low	180 Å²	180	112.6 Å²	112.6	94%	0.942	63%	0.628	S	S	*	*				-167.2	159.1	93.4	-91.8	166.4	0	0	0	110.5
471	G	29.3	Very low	32.1	Very low	69 Å²	69	110.7 Å²	110.7	71%	0.711	63%	0.63	S	S	*	*			trans	-108.7	173.6	-162.3	0	0	0	0	0	117.6
472	L	32.2	Very low	31.9	Very low	173 Å²	173	112.7 Å²	112.7	91%	0.906	63%	0.633	S	S	*	*			trans	-142.7	143	175.5	-70	174.6	0	0	0	112
473	L	30.4	Very low	31.8	Very low	156 Å²	156	114.8 Å²	114.8	82%	0.817	65%	0.65	S	S	*	*			trans	-150	166	168.6	-74.7	176.9	0	0	0	106.8
474	P	33.8	Very low	31.6	Very low	81 Å²	81	116.2 Å²	116.2	53%	0.526	66%	0.657	S	S	.	*			cis	-141.2	-161.3	18.1	42.8	-22	0	0	0	116.1	S313	S313-P474 WeakPolarHBondContact OG-CA 3.25Å; S313-P474 WeakPolarHBondContact OG-CB 3Å
475	S	28.1	Very low	31.4	Very low	73 Å²	73	115.6 Å²	115.6	51%	0.51	66%	0.66	S	S	.	*			trans	-130.9	-157.8	158.1	58.2	0	0	0	0	111.7	I311 Q312 S313	I311-S475 CarbonylContact C-O 3.51Å; Q312-S475 CarbonylContact C-O 3.52Å; Q312-S475 VanDerWaalsContact C-O 3.26Å; Q312-S475 PolarHBondContact N-O 3.12Å; Q312-S475 CarbonylContact O-C 3.49Å; Q312-S475 VanDerWaalsContact O-C 3.26Å; Q312-S475 PolarHBondContact O-OG 2.85Å; S313-S475 VanDerWaalsContact N-C 3.31Å; S313-S475 PolarHBondContact N-O 2.91Å; S313-S475 PolarHBondContact N-OG 2.81Å
476	M	31.4	Very low	31.5	Very low	75 Å²	75	114.7 Å²	114.7	37%	0.369	66%	0.664	S	S	.	*			trans	-154.7	154.7	172.4	-92.5	-139.5	76.3	0	0	119.4	C309 Q312	C309-M476 HydrophobicContact CB-CE 3.68Å; C309-M476 HydrophobicContact CB-SD 3.84Å; Q312-M476 HydrophobicContact CB-CB 4.48Å; Q312-M476 HydrophobicContact CB-CE 4.29Å; Q312-M476 HydrophobicContact CB-CG 4.31Å; Q312-M476 HydrophobicContact CG-CE 4.47Å; Q312-M476 CarbonylContact O-C 3.09Å; Q312-M476 WeakPolarHBondContact O-CA 3.19Å; Q312-M476 PolarHBondContact O-N 3.35Å
477	S	32.7	Very low	30.8	Very low	86 Å²	86	114.4 Å²	114.4	60%	0.601	67%	0.669	S	S	*	*			trans	68.9	154	149.4	61.4	0	0	0	0	123.3	Q312	Q312-S477 VanDerWaalsContact OE1-CA 3.27Å
478	E	29.9	Very low	31	Very low	93 Å²	93	114.6 Å²	114.6	44%	0.435	68%	0.681	S	S	.	*			cis	-167.6	-150.4	-35	-145.5	-123.4	49.1	0	0	110.2	R480	E478-R480 VanDerWaalsContact OE1-CD 3.32Å; E478-R480 WeakPolarHBondContact OE1-CD 3.3Å; E478-R480 WeakPolarHBondContact OE1-CG 3.36Å; E478-R480 IonicContact OE1-CZ 3.95Å; E478-R480 IonicContact OE1-NE 2.67Å; E478-R480 PolarHBondContact OE1-NE 2.81Å; E478-R480 IonicContact OE1-NH2 2.73Å; E478-R480 IonicContact OE2-CZ 2.77Å; E478-R480 IonicContact OE2-NE 3.45Å; E478-R480 PolarHBondContact OE2-NE 3.2Å; E478-R480 IonicContact OE2-NH2 3.48Å; E478-R480 PolarHBondContact OE2-NH2 2.74Å
479	N	32.4	Very low	31	Very low	148 Å²	148	115.1 Å²	115.1	79%	0.791	67%	0.671	S	S	*	*			trans	83.1	120.3	176.3	-55.8	-39.3	0	0	0	118.2
480	R	28.2	Very low	30.9	Very low	150 Å²	150	113.6 Å²	113.6	57%	0.566	65%	0.652	S	S	*	*			cis	101.2	145.8	24.6	-72.2	-174.8	-165.5	-108.6	-2.6	114.5	E478	E478-R480 VanDerWaalsContact OE1-CD 3.32Å; E478-R480 WeakPolarHBondContact OE1-CD 3.3Å; E478-R480 WeakPolarHBondContact OE1-CG 3.36Å; E478-R480 IonicContact OE1-CZ 3.95Å; E478-R480 IonicContact OE1-NE 2.67Å; E478-R480 PolarHBondContact OE1-NE 2.81Å; E478-R480 IonicContact OE1-NH2 2.73Å; E478-R480 IonicContact OE2-CZ 2.77Å; E478-R480 IonicContact OE2-NE 3.45Å; E478-R480 PolarHBondContact OE2-NE 3.2Å; E478-R480 IonicContact OE2-NH2 3.48Å; E478-R480 PolarHBondContact OE2-NH2 2.74Å
481	P	38.3	Very low	31	Very low	116 Å²	116	110.2 Å²	110.2	75%	0.753	64%	0.639	S	S	*	*			cis	-105.1	158.5	32	6	18.3	0	0	0	115.6
482	F	25.7	Very low	31.2	Very low	156 Å²	156	112.8 Å²	112.8	68%	0.684	64%	0.641	S	S	*	*				62.7	141.5	70.9	-67.4	-66.5	0	0	0	114.9
483	P	31	Very low	31.1	Very low	103 Å²	103	107.5 Å²	107.5	67%	0.669	62%	0.622	S	S	*	*			cis	-134.8	-171.4	29.6	42	-23.4	0	0	0	118
484	L	30.7	Very low	31.1	Very low	147 Å²	147	105.1 Å²	105.1	77%	0.77	62%	0.618	S	S	*	*			trans	-0.3	147.4	166.9	-78.3	67.5	0	0	0	120.8
485	V	28.6	Very low	31	Very low	111 Å²	111	104.2 Å²	104.2	67%	0.673	61%	0.606	S	S	*	*			cis	123.7	128.1	9.8	158.4	0	0	0	0	111.3
486	S	29.3	Very low	31.2	Very low	109 Å²	109	103.7 Å²	103.7	76%	0.762	60%	0.601	S	S	*	*			trans	62.8	117.3	174.3	-59.1	0	0	0	0	117
487	A	27	Very low	30.9	Very low	75 Å²	75	106.7 Å²	106.7	62%	0.62	62%	0.618	S	S	*	*			cis	77.3	153.9	33.3	0	0	0	0	0	114.7
488	P	39.1	Very low	31.2	Very low	112 Å²	112	106.1 Å²	106.1	73%	0.727	61%	0.613	S	S	*	*			cis	-88	-155.4	-7.1	41.5	-37.8	0	0	0	110.7
489	F	29.1	Very low	31.1	Very low	115 Å²	115	105.8 Å²	105.8	50%	0.504	61%	0.614	S	S	.	*			cis	-158.1	170.2	-3.1	-140.2	16.1	0	0	0	107.2	L326	L326-F489 HydrophobicContact CB-CE1 3.87Å; L326-F489 HydrophobicContact CB-CZ 4.19Å; L326-F489 VanDerWaalsContact O-CE1 3.29Å; L326-F489 WeakPolarHBondContact O-CE1 3.06Å
490	T	29.5	Very low	30.8	Very low	58 Å²	58	101 Å²	101	36%	0.356	59%	0.592	S	S	.	*			cis	-135.5	-28.1	2.2	-41.5	0	0	0	0	111.5	Q495	T490-Q495 PolarHBondContact O-NE2 2.96Å
491	T	34.1	Very low	30.9	Very low	108 Å²	108	97.6 Å²	97.6	66%	0.663	58%	0.584	S	S	*	*				-147.7	128.1	-67	-86.5	0	0	0	0	107.6
492	T	33.6	Very low	30.3	Very low	124 Å²	124	100.4 Å²	100.4	76%	0.761	59%	0.585	S	S	*	*	S	Bend	cis	-152.7	154	-17.8	27.2	0	0	0	0	107.2
493	A	30.5	Very low	30.8	Very low	61 Å²	61	98.3 Å²	98.3	50%	0.504	59%	0.587	S	S	.	*	S	Bend	cis	-120.6	151.1	-0.3	0	0	0	0	0	111.7
494	C	31	Very low	30.7	Very low	107 Å²	107	102 Å²	102	72%	0.723	60%	0.598	S	S	*	*			trans	64.4	57.5	159.4	-58.5	0	0	0	0	119.5
495	Q	31.5	Very low	30.9	Very low	62 Å²	62	98.1 Å²	98.1	29%	0.29	59%	0.592	S	S	.	*				8	155.1	110.3	-65.8	-99.1	7.4	0	0	118.5	N325 L326 T490	N325-Q495 PolarHBondContact O-NE2 2.88Å; L326-Q495 PolarHBondContact O-NE2 2.74Å; L326-Q495 PolarHBondContact O-OE1 3.05Å; T490-Q495 PolarHBondContact O-NE2 2.96Å
496	P	32.7	Very low	30.8	Very low	61 Å²	61	100.6 Å²	100.6	40%	0.396	60%	0.602	S	S	.	*			cis	-141.1	-169.2	-46.9	40.5	-21.7	0	0	0	113.1
497	D	24.5	Very low	31	Very low	138 Å²	138	101.3 Å²	101.3	74%	0.738	59%	0.593	S	S	*	*			trans	-55.4	170.3	170.2	-94.6	-53.8	0	0	0	116.1
498	P	39.6	Very low	31.3	Very low	74 Å²	74	101.2 Å²	101.2	48%	0.481	59%	0.588	S	S	.	*			cis	-133.8	-175.8	12	42.6	-26.3	0	0	0	117.7	N342	N342-P498 CarbonylContact O-C 3.5Å; N342-P498 VanDerWaalsContact O-C 3.24Å
499	N	27	Very low	31.2	Very low	87 Å²	87	99.1 Å²	99.1	47%	0.465	58%	0.576	S	S	.	*			trans	94.8	102.2	148.8	-77.5	-16.4	0	0	0	123.2	R341 N342	R341-N499 CarbonylContact C-O 3.58Å; N342-N499 CarbonylContact C-O 3.25Å; N342-N499 VanDerWaalsContact C-O 3.31Å; N342-N499 WeakPolarHBondContact CA-O 2.95Å; N342-N499 PolarHBondContact N-O 3.19Å; N342-N499 CarbonylContact O-C 3.55Å; N342-N499 WeakPolarHBondContact O-CA 3.1Å; N342-N499 PolarHBondContact O-N 3.49Å
500	C	26.3	Very low	31.6	Very low	48 Å²	48	98 Å²	98	32%	0.324	58%	0.578	S	S	.	*			trans	82.7	98.8	146.4	-62.1	0	0	0	0	119.9	A334 C343	A334-C500 HydrophobicContact CB-CB 3.5Å; A334-C500 WeakPolarHBondContact CB-O 3.45Å; C343-C500 VanDerWaalsContact SG-C 3.59Å; C343-C500 PolarHBondContact SG-N 3.46Å; C343-C500 VanDerWaalsContact SG-N 3.4Å
501	L	29.5	Very low	31.8	Very low	77 Å²	77	99.6 Å²	99.6	40%	0.403	59%	0.585	S	S	.	*				93.1	121	122.1	-74.1	158.8	0	0	0	121.4	D336 C343	D336-L501 HydrophobicContact CB-CD1 3.57Å; D336-L501 VanDerWaalsContact N-CD1 3.27Å; C343-L501 PolarHBondContact SG-N 3.02Å
502	F	26.5	Very low	31.9	Very low	175 Å²	175	99.3 Å²	99.3	77%	0.768	58%	0.575	S	S	*	*			trans	-44.9	175.1	152.7	-60.8	-89.1	0	0	0	115.2
503	P	36.6	Very low	31.9	Very low	112 Å²	112	98.5 Å²	98.5	73%	0.727	56%	0.564	S	S	*	*			cis	-115.5	177.8	-11.1	13.6	12.1	0	0	0	111
504	M	28.8	Very low	32.2	Very low	182 Å²	182	101.7 Å²	101.7	90%	0.897	57%	0.572	S	S	*	*			cis	-154.7	158.5	45.9	-75.5	179.5	146.8	0	0	113.2
505	G	33.2	Very low	32.2	Very low	64 Å²	64	102 Å²	102	66%	0.66	58%	0.575	S	S	*	*			trans	-146.2	143	154.8	0	0	0	0	0	109.4
506	D	28.2	Very low	32.5	Very low	163 Å²	163	104.5 Å²	104.5	87%	0.872	60%	0.596	S	S	*	*			trans	-146.4	140.7	170.9	-100.3	-36.2	0	0	0	107.9
507	H	33.7	Very low	33.1	Very low	125 Å²	125	106.5 Å²	106.5	58%	0.579	61%	0.608	S	S	*	*			trans	-115.3	113.3	-169.9	-76.1	-97.5	0	0	0	113.7	P348	P348-H507 PolarHBondContact O-CE1 2.82Å
508	S	32.5	Very low	34	Very low	73 Å²	73	105.8 Å²	105.8	51%	0.51	61%	0.611	S	S	.	*				47.5	124	127.2	65.7	0	0	0	0	124.9
509	S	37.9	Very low	34.2	Very low	68 Å²	68	106.9 Å²	106.9	48%	0.476	62%	0.619	S	S	.	*			trans	66.5	156.3	133.2	49	0	0	0	0	125.5	P351	P351-S509 VanDerWaalsContact C-OG 3.28Å; P351-S509 PolarHBondContact O-OG 2.95Å
510	V	36.2	Very low	34.6	Very low	92 Å²	92	109.9 Å²	109.9	56%	0.558	63%	0.634	S	S	*	*			cis	-152.2	-91.5	-33.5	68.5	0	0	0	0	116.7	P352	P352-V510 WeakPolarHBondContact O-CA 3.46Å; P352-V510 WeakPolarHBondContact O-CG1 3.04Å; P352-V510 PolarHBondContact O-N 3.07Å
511	N	34.1	Very low	34.9	Very low	91 Å²	91	115 Å²	115	49%	0.487	66%	0.655	S	S	.	*			trans	-169.8	170.4	-160.4	63.1	-167.8	0	0	0	116.9	P352 L353 N354	P352-N511 PolarHBondContact O-N 2.76Å; L353-N511 CarbonylContact C-O 3.33Å; N354-N511 PolarHBondContact O-ND2 3.19Å
512	H	37	Very low	35.1	Very low	101 Å²	101	118.4 Å²	118.4	47%	0.468	67%	0.673	S	S	.	*			trans	-176.4	139.9	143.2	-135.6	11.5	0	0	0	121.5	N354 L355	N354-H512 VanDerWaalsContact C-ND1 3.33Å; N354-H512 WeakPolarHBondContact CA-CE1 3.3Å; N354-H512 VanDerWaalsContact CA-ND1 3.33Å; N354-H512 WeakPolarHBondContact CA-ND1 3.46Å; N354-H512 PolarHBondContact ND2-CD2 3.14Å; N354-H512 VanDerWaalsContact ND2-CD2 3.33Å; N354-H512 PolarHBondContact ND2-NE2 2.91Å; N354-H512 PolarHBondContact O-CE1 2.84Å; N354-H512 PolarHBondContact O-ND1 2.72Å; L355-H512 PolarHBondContact O-CE1 2.91Å
513	M	33	Very low	35.9	Very low	107 Å²	107	115.5 Å²	115.5	53%	0.527	67%	0.672	S	S	.	*			trans	57.2	123.7	132.3	-94.9	-165.9	179.6	0	0	133.3	P356	P356-M513 HydrophobicContact CG-CE 4.19Å
514	L	36.3	Very low	35.8	Very low	128 Å²	128	114.1 Å²	114.1	67%	0.67	67%	0.67	S	S	*	*				105.5	129.7	104.2	-141.5	63.9	0	0	0	127.7	T516	L514-T516 HydrophobicContact CD1-CG2 4.1Å; L514-T516 HydrophobicContact CD2-CG2 4.34Å; L514-T516 HydrophobicContact CG-CG2 4.28Å
515	S	31.1	Very low	36	Very low	113 Å²	113	115 Å²	115	79%	0.79	67%	0.669	S	S	*	*			trans	-153.1	171.2	143.5	-172.5	0	0	0	0	110.8
516	T	38.1	Very low	36.4	Very low	116 Å²	116	116.6 Å²	116.6	71%	0.712	67%	0.668	S	S	*	*			trans	-138.8	-77.4	-163.8	39.5	0	0	0	0	124.5	L514	L514-T516 HydrophobicContact CD1-CG2 4.1Å; L514-T516 HydrophobicContact CD2-CG2 4.34Å; L514-T516 HydrophobicContact CG-CG2 4.28Å
517	P	45.2	Very low	36.8	Very low	103 Å²	103	115.1 Å²	115.1	67%	0.669	67%	0.665	S	S	*	*			trans	-129.3	-163.9	-136.7	41.4	-23.3	0	0	0	115.9
518	P	43.8	Very low	36.9	Very low	122 Å²	122	114.4 Å²	114.4	79%	0.792	67%	0.674	S	S	*	*			cis	-125	-96.4	-7.1	21.6	6.4	0	0	0	120.2
519	P	44.3	Very low	37	Very low	98 Å²	98	114.7 Å²	114.7	64%	0.636	69%	0.688	S	S	*	*			trans	-143.2	-174.1	-135.2	47.3	-26.3	0	0	0	121.6
520	N	35.1	Very low	37.1	Very low	149 Å²	149	117.1 Å²	117.1	80%	0.797	70%	0.703	S	S	*	*			trans	75	165.3	150.3	-71.6	-6.1	0	0	0	123.3
521	M	31.8	Very low	37	Very low	155 Å²	155	120.6 Å²	120.6	76%	0.764	72%	0.717	S	S	*	*				-175.6	157.2	-52.4	-114.4	-60.1	-178.2	0	0	115.2
522	L	34.7	Very low	37	Very low	149 Å²	149	123.1 Å²	123.1	78%	0.78	73%	0.731	S	S	*	*			trans	64	154.7	159.1	-66	177.6	0	0	0	122.3
523	P	42.3	Very low	37.1	Very low	115 Å²	115	124.9 Å²	124.9	75%	0.747	74%	0.742	S	S	*	*			cis	-139.8	177.3	-22	39.7	-20.7	0	0	0	118.5
524	A	34.3	Very low	37.3	Very low	82 Å²	82	125.9 Å²	125.9	68%	0.678	75%	0.754	S	S	*	*			trans	89.1	112.6	144.3	0	0	0	0	0	126.7
525	F	32.7	Very low	37.4	Very low	200 Å²	200	124.1 Å²	124.1	88%	0.877	76%	0.758	S	S	*	*			trans	54.5	161.7	138.3	-67.5	-63.4	0	0	0	125
526	P	42.3	Very low	37.6	Very low	98 Å²	98	122.6 Å²	122.6	64%	0.636	75%	0.753	S	S	*	*			cis	-138.9	179.2	-29	38.9	-20.3	0	0	0	117.2
527	T	37.5	Very low	37.3	Very low	132 Å²	132	125.1 Å²	125.1	81%	0.81	76%	0.76	S	S	*	*			trans	59.7	151.2	157.1	45.8	0	0	0	0	121.7
528	S	35.9	Very low	36.7	Very low	110 Å²	110	124.8 Å²	124.8	77%	0.769	77%	0.766	S	S	*	*			cis	-174.2	119.7	-23.3	50.6	0	0	0	0	109.6
529	G	33.7	Very low	36	Very low	79 Å²	79	124.3 Å²	124.3	81%	0.814	77%	0.772	S	S	*	*				88.5	155.3	103.4	0	0	0	0	0	115
530	P	39.3	Very low	35.3	Very low	120 Å²	120	124.1 Å²	124.1	78%	0.779	78%	0.779	S	S	*	*			cis	-131.2	170.3	-5.4	42.9	-26.9	0	0	0	116.7
531	L	34.3	Very low	35	Very low	164 Å²	164	123.1 Å²	123.1	86%	0.859	78%	0.778	S	S	*	*			trans	54.4	108.6	150.2	-73.3	165.1	0	0	0	123.7
532	D	35	Very low	34.7	Very low	145 Å²	145	119.2 Å²	119.2	78%	0.775	77%	0.771	S	S	*	*				94.5	152.3	126.1	-143.4	7.3	0	0	0	122.8
533	I	38	Very low	34.3	Very low	138 Å²	138	116.8 Å²	116.8	71%	0.708	77%	0.772	S	S	*	*			trans	70	131.6	170.8	-26.4	-176.8	0	0	0	119.7
534	T	37.9	Very low	33.6	Very low	127 Å²	127	115.2 Å²	115.2	78%	0.779	77%	0.769	S	S	*	*			trans	96.9	102.2	149.8	-5.7	0	0	0	0	121.1
535	A	37.4	Very low	33.2	Very low	91 Å²	91	119.4 Å²	119.4	75%	0.752	78%	0.778	S	S	*	*			trans	67.6	104.5	131.7	0	0	0	0	0	122.8
536	A	35.8	Very low	33.1	Very low	81 Å²	81	114.2 Å²	114.2	67%	0.669	77%	0.772	S	S	*	*				112.3	117.3	95.5	0	0	0	0	0	121.6
537	I	33.3	Very low	32.5	Very low	170 Å²	170	120 Å²	120	87%	0.872	78%	0.783	S	S	*	*			trans	71.7	108.6	133.3	-57.1	165.9	0	0	0	118.8
538	A	31.5	Very low	32	Very low	96 Å²	96	120.2 Å²	120.2	79%	0.793	78%	0.784	S	S	*	*				-161.8	136.7	108.8	0	0	0	0	0	112.4
539	A	28.9	Very low	31.9	Very low	112 Å²	112	118.9 Å²	118.9	93%	0.926	79%	0.788	S	S	*	*			trans	-52.1	152.7	-170.9	0	0	0	0	0	117.7
540	A	30.1	Very low	31.8	Very low	94 Å²	94	118.8 Å²	118.8	78%	0.777	79%	0.787	S	S	*	*			trans	-119.2	175.1	-170.8	0	0	0	0	0	115.2
541	T	28.2	Very low	31.4	Very low	127 Å²	127	117.3 Å²	117.3	78%	0.779	78%	0.784	S	S	*	*			trans	-71.3	165.6	179.5	-45	0	0	0	0	113.1	I359	I359-T541 HydrophobicContact CD1-CG2 4.04Å
542	A	25.3	Very low	31.4	Very low	73 Å²	73	116.4 Å²	116.4	60%	0.603	78%	0.78	S	S	*	*			trans	-82.9	149.4	175.3	0	0	0	0	0	114	I359	I359-A542 HydrophobicContact CD1-CB 3.67Å
543	A	26.9	Very low	31.3	Very low	98 Å²	98	115.1 Å²	115.1	81%	0.81	78%	0.783	S	S	*	*			trans	-170.7	172.2	143.4	0	0	0	0	0	111.6
544	A	27.2	Very low	31.5	Very low	83 Å²	83	112.3 Å²	112.3	69%	0.686	79%	0.788	S	S	*	*			trans	-7.1	132.7	166.4	0	0	0	0	0	119.1
545	I	26.8	Very low	31.3	Very low	170 Å²	170	113 Å²	113	87%	0.872	79%	0.791	S	S	*	*				77.8	140	59.9	-64.8	167.6	0	0	0	112.9
546	A	30.8	Very low	31.1	Very low	90 Å²	90	114 Å²	114	74%	0.744	79%	0.79	S	S	*	*			trans	73.5	98.6	-170	0	0	0	0	0	114.1
547	Y	28.2	Very low	31.1	Very low	221 Å²	221	117.3 Å²	117.3	87%	0.867	79%	0.792	S	S	*	*				81.3	128	64.6	-100.6	-108	0	0	0	116.6
548	T	28.1	Very low	31	Very low	135 Å²	135	119.8 Å²	119.8	83%	0.828	79%	0.79	S	S	*	*			trans	55.2	97.6	159.8	43.8	0	0	0	0	119.2
549	G	34.1	Very low	31	Very low	82 Å²	82	120.3 Å²	120.3	85%	0.845	79%	0.788	S	S	*	*			trans	-166.7	122.1	156.9	0	0	0	0	0	107.5
550	G	30.5	Very low	31.1	Very low	77 Å²	77	125.8 Å²	125.8	79%	0.794	79%	0.785	S	S	*	*			trans	-124.1	-146	-169.6	0	0	0	0	0	113.5
551	A	31.6	Very low	31.2	Very low	89 Å²	89	126.1 Å²	126.1	74%	0.736	78%	0.777	S	S	*	*			trans	86.5	121.6	176.2	0	0	0	0	0	117.6
552	D	34.8	Very low	31.4	Very low	145 Å²	145	128.1 Å²	128.1	78%	0.775	78%	0.778	S	S	*	*				85.2	118.8	125.2	-64.1	11.6	0	0	0	124.1
553	S	31.9	Very low	31.7	Very low	119 Å²	119	131.7 Å²	131.7	83%	0.832	78%	0.784	S	S	*	*				67	114.4	122.1	-56.6	0	0	0	0	121.2
554	G	43.4	Very low	32.1	Very low	78 Å²	78	131.8 Å²	131.8	80%	0.804	78%	0.776	S	S	*	*			trans	-174.7	52.6	174.6	0	0	0	0	0	115.2
555	V	32.2	Very low	32.2	Very low	141 Å²	141	135.2 Å²	135.2	86%	0.855	78%	0.782	S	S	*	*			trans	-83.4	134.8	-176.2	166.2	0	0	0	0	110.9
556	P	33.7	Very low	32.3	Very low	112 Å²	112	132 Å²	132	73%	0.727	78%	0.775	S	S	*	*				-145.2	169.8	98.1	38.7	-22	0	0	0	117.4
557	E	35.5	Very low	32.4	Very low	151 Å²	151	134.2 Å²	134.2	71%	0.706	78%	0.779	S	S	*	*	S	Bend	trans	76	94.8	164.2	-68.5	-106.9	81.7	0	0	119.6
558	R	31.8	Very low	33	Very low	222 Å²	222	129.1 Å²	129.1	84%	0.838	77%	0.773	S	S	*	*	S	Bend	trans	63.3	109.5	143.9	-57.7	-179.2	-176	-138.4	-5.5	119
559	S	31.2	Very low	33.3	Very low	108 Å²	108	128 Å²	128	76%	0.755	77%	0.771	S	S	*	*			cis	-160.2	135.2	-4.1	54.5	0	0	0	0	114.4
560	R	31	Very low	33.2	Very low	227 Å²	227	129.9 Å²	129.9	86%	0.857	77%	0.766	S	S	*	*			trans	76.4	100.8	143.9	-78.2	-167.4	169.4	-178.7	-3.3	121.1
561	T	33.2	Very low	33.5	Very low	100 Å²	100	133.4 Å²	133.4	61%	0.613	77%	0.765	S	S	*	*				74.9	114.3	118.1	56.3	0	0	0	0	121.8
562	E	30.6	Very low	33.9	Very low	169 Å²	169	134.1 Å²	134.1	79%	0.79	76%	0.762	S	S	*	*				67.1	158.2	117.8	-63.1	171.2	-140.4	0	0	119.7
563	M	32.5	Very low	33.8	Very low	149 Å²	149	135.5 Å²	135.5	73%	0.734	76%	0.763	S	S	*	*			cis	-158.8	169.4	-17.8	-102.3	-91.2	-79.7	0	0	107.5
564	P	35.1	Very low	33.9	Very low	100 Å²	100	134.9 Å²	134.9	65%	0.649	76%	0.755	S	S	*	*			trans	-88.8	-176.4	172	37.7	-32.7	0	0	0	112.5
565	L	29	Very low	33.2	Very low	155 Å²	155	139.3 Å²	139.3	81%	0.812	76%	0.755	S	S	*	*			trans	98.5	142.7	169.9	-60.3	160.5	0	0	0	117.6
566	S	30.1	Very low	33.2	Very low	102 Å²	102	138.5 Å²	138.5	71%	0.713	75%	0.75	S	S	*	*			trans	11.9	124.9	156.2	-50.9	0	0	0	0	121.5
567	V	31.4	Very low	33.3	Very low	136 Å²	136	138.3 Å²	138.3	82%	0.824	75%	0.749	S	S	*	*				36.4	124.3	125.4	-174.3	0	0	0	0	117.8
568	P	42	Very low	33.3	Very low	115 Å²	115	135.6 Å²	135.6	75%	0.747	74%	0.737	S	S	*	*			cis	-138.4	174.9	9.4	39.4	-20.4	0	0	0	118
569	S	34.3	Very low	33.7	Very low	112 Å²	112	128.9 Å²	128.9	78%	0.783	72%	0.722	S	S	*	*			trans	90.7	147.7	144.4	-139.6	0	0	0	0	122.2
570	V	32.4	Very low	33.9	Very low	121 Å²	121	125.8 Å²	125.8	73%	0.733	70%	0.699	S	S	*	*			trans	61.5	92.2	164.1	-151.5	0	0	0	0	120.7
571	I	35.1	Very low	34.1	Very low	151 Å²	151	115.3 Å²	115.3	77%	0.774	66%	0.66	S	S	*	*				35.9	142	105.4	-61.8	176.6	0	0	0	118.1
572	P	40.5	Very low	34.3	Very low	104 Å²	104	111.3 Å²	111.3	68%	0.675	64%	0.636	S	S	*	*			cis	-139.4	177.1	-2.2	38	-17.2	0	0	0	119.1
573	Q	33.8	Very low	34.5	Very low	173 Å²	173	105.8 Å²	105.8	81%	0.808	61%	0.612	S	S	*	*			trans	82.5	110.8	135.3	-92	177.7	34.3	0	0	126.9
574	T	32.6	Very low	34.5	Very low	107 Å²	107	102.4 Å²	102.4	66%	0.656	60%	0.6	S	S	*	*			trans	74.7	107.2	130.5	31.4	0	0	0	0	126.8
575	Q	30	Very low	34.5	Very low	170 Å²	170	103.3 Å²	103.3	79%	0.794	60%	0.603	S	S	*	*				82.1	113.9	116.3	-87.4	-172.7	21.5	0	0	126.4
576	V	31.1	Very low	34.9	Very low	124 Å²	124	101.9 Å²	101.9	75%	0.752	60%	0.601	S	S	*	*			trans	57.7	164.2	143.2	-90.5	0	0	0	0	122.9
577	P	36.5	Very low	35	Very low	109 Å²	109	101.8 Å²	101.8	71%	0.708	61%	0.606	S	S	*	*			cis	-140.1	144	-15.7	30.3	-7.7	0	0	0	119.7
578	M	35.6	Very low	34.9	Very low	94 Å²	94	98.8 Å²	98.8	46%	0.463	60%	0.603	S	S	.	*			trans	52.5	111.9	137.3	-51.1	-57.1	-102.9	0	0	127	L608	M578-L608 HydrophobicContact CB-CB 3.89Å; M578-L608 HydrophobicContact CB-CD2 3.69Å; M578-L608 HydrophobicContact CB-CG 4.4Å; M578-L608 HydrophobicContact CE-CB 4.21Å; M578-L608 HydrophobicContact CG-CB 4.23Å; M578-L608 WeakPolarHBondContact O-CD2 3.44Å
579	P	39.3	Very low	34.5	Very low	81 Å²	81	100.1 Å²	100.1	53%	0.526	61%	0.61	S	S	.	*			trans	-147.2	168.1	152	34.8	-16.2	0	0	0	116.2	S609 Q610	P579-S609 WeakPolarHBondContact O-CA 3.2Å; P579-S609 WeakPolarHBondContact O-CB 3.27Å; P579-Q610 WeakPolarHBondContact O-CB 3.45Å; P579-Q610 PolarHBondContact O-OE1 2.97Å
580	V	35.3	Very low	34.2	Very low	43 Å²	43	106.3 Å²	106.3	26%	0.261	62%	0.616	S	S	.	*			cis	-143.8	-1.6	-30.8	-79.9	0	0	0	0	118.9	T368 S369 D370	T368-V580 VanDerWaalsContact OG1-CA 3.24Å; T368-V580 WeakPolarHBondContact OG1-CA 3.38Å; T368-V580 PolarHBondContact OG1-O 2.77Å; S369-V580 CarbonylContact C-O 3.31Å; S369-V580 WeakPolarHBondContact CA-O 2.41Å; S369-V580 PolarHBondContact N-O 2.96Å; D370-V580 HydrophobicContact CB-CB 4.41Å; D370-V580 HydrophobicContact CB-CG2 4.31Å; D370-V580 PolarHBondContact N-O 2.81Å
581	S	35.9	Very low	34.1	Very low	6 Å²	6	108.7 Å²	108.7	4%	0.042	62%	0.619	C	S	.	*			trans	84.1	166.1	167.2	91.3	0	0	0	0	124.9	G366 I367 D370 Q610	G366-S581 WeakPolarHBondContact CA-OG 3.05Å; G366-S581 PolarHBondContact O-OG 2.99Å; I367-S581 WeakPolarHBondContact O-CB 2.94Å; I367-S581 PolarHBondContact O-OG 2.86Å; D370-S581 VanDerWaalsContact O-O 3.11Å; S581-Q610 VanDerWaalsContact N-NE2 3.16Å; S581-Q610 PolarHBondContact O-NE2 2.85Å
582	S	38.2	Very low	33.7	Very low	16 Å²	16	107 Å²	107	11%	0.112	62%	0.616	C	S	.	*			trans	159.4	108	142.4	-87.2	0	0	0	0	122.3	N363 T364 D370 Q611	N363-S582 VanDerWaalsContact O-CB 3.27Å; N363-S582 WeakPolarHBondContact O-CB 3.48Å; N363-S582 PolarHBondContact O-OG 3.4Å; T364-S582 WeakPolarHBondContact CA-OG 3.48Å; T364-S582 WeakPolarHBondContact CB-OG 3.15Å; T364-S582 PolarHBondContact OG1-OG 3.37Å; D370-S582 PolarHBondContact O-OG 3.09Å; S582-Q611 PolarHBondContact O-NE2 2.97Å
583	N	33.1	Very low	33.4	Very low	54 Å²	54	109.6 Å²	109.6	29%	0.289	62%	0.619	S	S	.	*			trans	39.6	161.2	145.7	-122.9	-2.1	0	0	0	132	N363 T364 C365	N363-N583 HydrophobicContact CB-CB 3.73Å; N363-N583 VanDerWaalsContact CG-O 3.27Å; N363-N583 PolarHBondContact ND2-O 3.03Å; T364-N583 VanDerWaalsContact C-ND2 3.27Å; T364-N583 PolarHBondContact O-ND2 3.05Å; C365-N583 HydrophobicContact CB-CB 4.29Å; C365-N583 WeakPolarHBondContact CB-ND2 2.96Å; C365-N583 WeakPolarHBondContact CB-OD1 3.42Å; C365-N583 PolarHBondContact N-ND2 3.4Å; C365-N583 WeakPolarHBondContact O-CA 3.33Å; C365-N583 WeakPolarHBondContact O-CB 3.1Å; C365-N583 PolarHBondContact O-N 2.87Å; C365-N583 PolarHBondContact O-OD1 3.46Å
584	T	33.2	Very low	33.5	Very low	78 Å²	78	110.4 Å²	110.4	48%	0.479	62%	0.62	S	S	.	*			trans	18.5	147.8	146.1	48.9	0	0	0	0	122.1	N363	N363-T584 PolarHBondContact ND2-O 2.69Å; N363-T584 PolarHBondContact OD1-O 3.06Å; N363-T584 PolarHBondContact OD1-OG1 3.19Å
585	V	36.2	Very low	33.6	Very low	119 Å²	119	109 Å²	109	72%	0.721	63%	0.628	S	S	*	*				164.3	140.3	87.7	157	0	0	0	0	103.1
586	T	36.6	Very low	33.8	Very low	124 Å²	124	105.5 Å²	105.5	76%	0.761	62%	0.622	S	S	*	*			cis	-158.3	163.2	-14.7	-89.7	0	0	0	0	106.2
587	A	31.1	Very low	33.9	Very low	100 Å²	100	105.6 Å²	105.6	83%	0.826	62%	0.618	S	S	*	*			trans	-57.4	160.3	-179.5	0	0	0	0	0	115.1
588	G	30.8	Very low	33.8	Very low	73 Å²	73	103.3 Å²	103.3	75%	0.753	60%	0.6	S	S	*	*			trans	136.3	41.2	151.9	0	0	0	0	0	119.3
589	T	34	Very low	33.9	Very low	144 Å²	144	99.8 Å²	99.8	88%	0.883	58%	0.584	S	S	*	*			trans	-87	141.1	158.4	46	0	0	0	0	110.5
590	W	27.5	Very low	33.5	Very low	242 Å²	242	100.4 Å²	100.4	92%	0.917	58%	0.581	S	S	*	*			trans	-74.9	162.1	176.9	-83.2	73.3	0	0	0	112.2
591	Q	29	Very low	33.6	Very low	171 Å²	171	103.5 Å²	103.5	80%	0.799	60%	0.602	S	S	*	*			trans	77.1	132.4	170.8	-63.3	-175.5	-22	0	0	118.8
592	T	28.5	Very low	33.3	Very low	116 Å²	116	107.2 Å²	107.2	71%	0.712	63%	0.633	S	S	*	*			trans	71.7	115.6	142.6	46.2	0	0	0	0	122.7
593	Q	34.3	Very low	33	Very low	158 Å²	158	111 Å²	111	74%	0.738	67%	0.666	S	S	*	*				96.7	114.7	126.6	-72.2	-177.1	-6.8	0	0	122.4
594	F	34.1	Very low	33.2	Very low	189 Å²	189	117.4 Å²	117.4	83%	0.829	70%	0.696	S	S	*	*			trans	57.6	113.1	135.5	-61.2	-57.2	0	0	0	123.6
595	G	35.3	Very low	33.2	Very low	79 Å²	79	119.9 Å²	119.9	81%	0.814	71%	0.711	S	S	*	*			trans	78.7	171.2	139.6	0	0	0	0	0	118.2
596	S	34.1	Very low	33	Very low	96 Å²	96	124.3 Å²	124.3	67%	0.671	72%	0.715	S	S	*	*			cis	-178.8	117.4	-23	161.2	0	0	0	0	109.2
597	N	33.3	Very low	32.9	Very low	125 Å²	125	125 Å²	125	67%	0.668	71%	0.713	S	S	*	*			trans	64.2	156	162.8	-57.6	-19.6	0	0	0	117.2
598	N	34.9	Very low	33.1	Very low	61 Å²	61	122.2 Å²	122.2	33%	0.326	68%	0.684	S	S	.	*			cis	-158.9	134.3	-19.4	-105.1	-15.6	0	0	0	110.1
599	S	37.9	Very low	33.3	Very low	20 Å²	20	121.1 Å²	121.1	14%	0.14	66%	0.664	C	S	.	*			trans	55.4	108	170.7	65.3	0	0	0	0	116.7	L622 K623	S599-L622 CarbonylContact O-C 3.02Å; S599-L622 WeakPolarHBondContact O-CA 3.07Å; S599-L622 WeakPolarHBondContact OG-CD2 3.13Å; S599-K623 PolarHBondContact O-N 2.86Å; S599-K623 PolarHBondContact OG-N 2.75Å
600	M	31.6	Very low	33.5	Very low	95 Å²	95	118.1 Å²	118.1	47%	0.468	64%	0.641	S	S	.	*			cis	79.8	95.9	22.8	-44.1	155.4	179.4	0	0	114.1	K623 M624 S625 A626	M600-K623 CarbonylContact C-O 3.27Å; M600-K623 CarbonylContact O-C 3.15Å; M600-M624 CarbonylContact O-C 3.55Å; M600-M624 WeakPolarHBondContact O-CA 3.43Å; M600-M624 PolarHBondContact O-N 2.94Å; M600-S625 PolarHBondContact O-N 3.4Å; M600-S625 VanDerWaalsContact O-N 3.13Å; M600-A626 WeakPolarHBondContact CB-O 3.28Å
601	P	35.9	Very low	33.8	Very low	108 Å²	108	112 Å²	112	70%	0.701	62%	0.622	S	S	*	*			trans	-95.1	-178.7	-172.3	38.2	-37.8	0	0	0	115.8	K623 M624	P601-K623 VanDerWaalsContact CA-O 3.23Å; P601-K623 WeakPolarHBondContact CA-O 3.18Å; P601-K623 WeakPolarHBondContact CB-O 3.36Å; P601-M624 CarbonylContact C-O 3.5Å
602	A	31.1	Very low	34.4	Very low	83 Å²	83	108.7 Å²	108.7	69%	0.686	62%	0.615	S	S	*	*			trans	-148.2	151.7	-179.9	0	0	0	0	0	115.9
603	A	31.7	Very low	34.7	Very low	97 Å²	97	110 Å²	110	80%	0.802	62%	0.618	S	S	*	*			trans	65	145.9	165.6	0	0	0	0	0	118.2
604	M	36.4	Very low	34.5	Very low	188 Å²	188	110.5 Å²	110.5	93%	0.926	62%	0.622	S	S	*	*			cis	-120.4	169.9	-1.9	-69.9	-172.3	180	0	0	111.8
605	V	34.1	Very low	34.6	Very low	130 Å²	130	104.9 Å²	104.9	79%	0.788	61%	0.61	S	S	*	*			trans	-103.5	134.1	-166.3	170.4	0	0	0	0	113.9
606	R	31.4	Very low	34.6	Very low	212 Å²	212	109.9 Å²	109.9	80%	0.8	61%	0.612	S	S	*	*			trans	92.1	87.3	173.4	-71.7	170.6	172.4	159.4	-1.3	119.3
607	L	34.9	Very low	34.3	Very low	137 Å²	137	112.6 Å²	112.6	72%	0.717	62%	0.618	S	S	*	*			trans	-167.2	165.2	144.7	-85.2	124.5	0	0	0	108.5
608	L	33.8	Very low	34.3	Very low	43 Å²	43	113.5 Å²	113.5	23%	0.225	62%	0.623	C	S	.	*			cis	-145.9	-2	-48.9	-151.2	112.5	0	0	0	117	T368 M578	T368-L608 WeakPolarHBondContact CB-O 3.35Å; T368-L608 WeakPolarHBondContact CG2-O 3.49Å; T368-L608 PolarHBondContact OG1-O 2.95Å; M578-L608 HydrophobicContact CB-CB 3.89Å; M578-L608 HydrophobicContact CB-CD2 3.69Å; M578-L608 HydrophobicContact CB-CG 4.4Å; M578-L608 HydrophobicContact CE-CB 4.21Å; M578-L608 HydrophobicContact CG-CB 4.23Å; M578-L608 WeakPolarHBondContact O-CD2 3.44Å
609	S	35.8	Very low	34.3	Very low	49 Å²	49	117.9 Å²	117.9	34%	0.343	64%	0.641	S	S	.	*			trans	-126.9	159.5	164.8	64.1	0	0	0	0	110.9	P579	P579-S609 WeakPolarHBondContact O-CA 3.2Å; P579-S609 WeakPolarHBondContact O-CB 3.27Å
610	Q	37.2	Very low	34	Very low	82 Å²	82	123.7 Å²	123.7	38%	0.383	67%	0.671	S	S	.	*				61.1	109.1	50.3	-128.6	161	30.2	0	0	113.8	P579 S581	P579-Q610 WeakPolarHBondContact O-CB 3.45Å; P579-Q610 PolarHBondContact O-OE1 2.97Å; S581-Q610 VanDerWaalsContact N-NE2 3.16Å; S581-Q610 PolarHBondContact O-NE2 2.85Å
611	Q	34.7	Very low	33.8	Very low	113 Å²	113	122.9 Å²	122.9	53%	0.528	68%	0.679	S	S	.	*				75	146.7	59	-94.5	-176.7	-21.9	0	0	114.5	S582	S582-Q611 PolarHBondContact O-NE2 2.97Å
612	P	41.9	Very low	33.7	Very low	101 Å²	101	123.2 Å²	123.2	66%	0.656	67%	0.674	S	S	*	*			cis	-136.5	160.1	-9.5	40.6	-23.8	0	0	0	116.9
613	L	35.2	Very low	33.8	Very low	145 Å²	145	125.7 Å²	125.7	76%	0.759	67%	0.669	S	S	*	*			trans	32.4	137.9	131.2	-57.5	-179.1	0	0	0	120.5
614	M	29.4	Very low	33.9	Very low	168 Å²	168	127 Å²	127	83%	0.828	66%	0.66	S	S	*	*			cis	-150	179.4	8.8	-80.7	-132.3	-169.4	0	0	108.6
615	A	35	Very low	33.5	Very low	71 Å²	71	119.4 Å²	119.4	59%	0.587	63%	0.626	S	S	*	*			cis	-151.8	163.2	17.5	0	0	0	0	0	113.3
616	Q	35.4	Very low	33.3	Very low	184 Å²	184	117.4 Å²	117.4	86%	0.86	62%	0.623	S	S	*	*			trans	51.1	142.4	156.7	-72.3	162.2	-53.1	0	0	120.2
617	L	28.7	Very low	33.3	Very low	152 Å²	152	109.9 Å²	109.9	80%	0.796	61%	0.612	S	S	*	*			cis	164.7	94.4	-18.4	164.1	119	0	0	0	103.6
618	L	32.5	Very low	33.1	Very low	145 Å²	145	108.3 Å²	108.3	76%	0.759	60%	0.604	S	S	*	*			trans	-162	134.9	164.5	-134.5	73.9	0	0	0	111.7
619	Q	34.7	Very low	32.9	Very low	153 Å²	153	108.6 Å²	108.6	72%	0.715	61%	0.61	S	S	*	*			trans	63.2	133	151.1	-73.5	165.1	17	0	0	123.1
620	N	31.8	Very low	32.7	Very low	142 Å²	142	113 Å²	113	76%	0.759	63%	0.625	S	S	*	*			trans	53.7	103.5	139.6	-50	-16.6	0	0	0	119.1
621	A	27.6	Very low	32.3	Very low	77 Å²	77	115.5 Å²	115.5	64%	0.636	65%	0.645	S	S	*	*				79.2	113.8	56.7	0	0	0	0	0	116.1
622	L	34.9	Very low	32.2	Very low	116 Å²	116	115.3 Å²	115.3	61%	0.607	65%	0.654	S	S	*	*				170	149.6	124.8	-95.8	-177.1	0	0	0	114.9	S599	S599-L622 CarbonylContact O-C 3.02Å; S599-L622 WeakPolarHBondContact O-CA 3.07Å; S599-L622 WeakPolarHBondContact OG-CD2 3.13Å
623	K	33.3	Very low	31.6	Very low	134 Å²	134	120.3 Å²	120.3	58%	0.583	67%	0.665	S	S	*	*			trans	64.8	149.7	160.5	-63.1	153.6	-179.9	172.2	0	116.6	S599 M600 P601	S599-K623 PolarHBondContact O-N 2.86Å; S599-K623 PolarHBondContact OG-N 2.75Å; M600-K623 CarbonylContact C-O 3.27Å; M600-K623 CarbonylContact O-C 3.15Å; P601-K623 VanDerWaalsContact CA-O 3.23Å; P601-K623 WeakPolarHBondContact CA-O 3.18Å; P601-K623 WeakPolarHBondContact CB-O 3.36Å
624	M	32.7	Very low	31.5	Very low	124 Å²	124	119 Å²	119	61%	0.611	67%	0.668	S	S	*	*			cis	-145.1	144.3	-38.1	-93.6	-168.9	83.3	0	0	106.8	M600 P601	M600-M624 CarbonylContact O-C 3.55Å; M600-M624 WeakPolarHBondContact O-CA 3.43Å; M600-M624 PolarHBondContact O-N 2.94Å; P601-M624 CarbonylContact C-O 3.5Å
625	S	28.1	Very low	31.7	Very low	29 Å²	29	116.7 Å²	116.7	20%	0.203	66%	0.664	C	S	.	*			cis	-157.1	27.4	-6.7	-125.5	0	0	0	0	114.5	M600 G627 N628	M600-S625 PolarHBondContact O-N 3.4Å; M600-S625 VanDerWaalsContact O-N 3.13Å; S625-G627 CarbonylContact O-C 2.99Å; S625-G627 VanDerWaalsContact O-C 3.29Å; S625-G627 WeakPolarHBondContact O-CA 3.2Å; S625-N628 VanDerWaalsContact CB-OD1 3.31Å; S625-N628 WeakPolarHBondContact CB-OD1 3.29Å; S625-N628 PolarHBondContact O-N 3.48Å; S625-N628 VanDerWaalsContact O-N 3.14Å; S625-N628 PolarHBondContact O-OD1 3.41Å; S625-N628 PolarHBondContact OG-OD1 2.9Å
626	A	29.2	Very low	31.6	Very low	88 Å²	88	121 Å²	121	73%	0.727	67%	0.672	S	S	*	*	S	Bend	trans	-85.3	107.6	175.7	0	0	0	0	0	110.3	M600	M600-A626 WeakPolarHBondContact CB-O 3.28Å
627	G	32.7	Very low	31.2	Very low	55 Å²	55	118.8 Å²	118.8	57%	0.567	67%	0.666	S	S	*	*	S	Bend	cis	-115.3	140.4	4.6	0	0	0	0	0	115.1	S625	S625-G627 CarbonylContact O-C 2.99Å; S625-G627 VanDerWaalsContact O-C 3.29Å; S625-G627 WeakPolarHBondContact O-CA 3.2Å
628	N	30.5	Very low	31.3	Very low	103 Å²	103	116 Å²	116	55%	0.551	66%	0.657	S	S	*	*			trans	-83.7	165.3	166.1	-73.2	-16.6	0	0	0	111.2	S625	S625-N628 VanDerWaalsContact CB-OD1 3.31Å; S625-N628 WeakPolarHBondContact CB-OD1 3.29Å; S625-N628 PolarHBondContact O-N 3.48Å; S625-N628 VanDerWaalsContact O-N 3.14Å; S625-N628 PolarHBondContact O-OD1 3.41Å; S625-N628 PolarHBondContact OG-OD1 2.9Å
629	S	30.3	Very low	31.1	Very low	50 Å²	50	116.5 Å²	116.5	35%	0.35	66%	0.656	S	S	.	*			cis	-167.9	141.2	-31.6	-171.7	0	0	0	0	109
630	Q	30.4	Very low	30.8	Very low	142 Å²	142	111.8 Å²	111.8	66%	0.664	65%	0.648	S	S	*	*			trans	57.4	119.4	149	-76.2	168.6	-43	0	0	122.6
631	V	29.9	Very low	30.7	Very low	133 Å²	133	110.5 Å²	110.5	81%	0.806	66%	0.657	S	S	*	*				90.3	136.7	125.1	169.1	0	0	0	0	118.3
632	P	32.6	Very low	30.6	Very low	109 Å²	109	114.9 Å²	114.9	71%	0.708	66%	0.662	S	S	*	*			trans	-129.7	162.1	-145.4	40	-22.7	0	0	0	116.2
633	K	28.4	Very low	30.6	Very low	206 Å²	206	116.9 Å²	116.9	90%	0.896	67%	0.672	S	S	*	*			trans	-142.3	102.6	150.6	-69.2	-170.4	179.9	179.5	0	110.2
634	S	33.7	Very low	30.3	Very low	118 Å²	118	116.3 Å²	116.3	83%	0.825	68%	0.676	S	S	*	*			trans	-97.1	101.2	161.5	55	0	0	0	0	108.4	Q636	S634-Q636 PolarHBondContact O-N 3.38Å
635	T	33.5	Very low	30.6	Very low	120 Å²	120	115.1 Å²	115.1	74%	0.736	68%	0.677	S	S	*	*			trans	-63.4	133.6	-176.8	-53.1	0	0	0	0	111.6
636	Q	33.2	Very low	30.6	Very low	161 Å²	161	119.9 Å²	119.9	75%	0.752	70%	0.7	S	S	*	*			trans	-5.9	133.8	150.4	-68.9	163.7	-49.2	0	0	117.3	S634	S634-Q636 PolarHBondContact O-N 3.38Å
637	N	27.6	Very low	30.7	Very low	138 Å²	138	124 Å²	124	74%	0.738	70%	0.702	S	S	*	*				-139.2	109.4	127.5	-174.9	43.8	0	0	0	110.6	Q639	N637-Q639 PolarHBondContact ND2-OE1 3.1Å
638	P	30.5	Very low	30.6	Very low	94 Å²	94	126 Å²	126	61%	0.61	71%	0.708	S	S	*	*			trans	-113.3	98.2	170.8	36.6	-26.8	0	0	0	111.9
639	Q	26.7	Very low	30.5	Very low	155 Å²	155	127.2 Å²	127.2	72%	0.724	72%	0.719	S	S	*	*				-66	138.5	120.5	-76.3	75.6	23.7	0	0	105.8	N637	N637-Q639 PolarHBondContact ND2-OE1 3.1Å
640	G	29.2	Very low	30.4	Very low	53 Å²	53	132.3 Å²	132.3	55%	0.546	74%	0.737	S	S	.	*			cis	127.1	134.1	36.8	0	0	0	0	0	104.7	F642	G640-F642 PolarHBondContact O-N 2.67Å
641	A	29	Very low	30.7	Very low	116 Å²	116	135.7 Å²	135.7	96%	0.959	74%	0.743	S	S	*	*			trans	-63.5	123.4	-168.1	0	0	0	0	0	111.5
642	F	27	Very low	30.4	Very low	169 Å²	169	138.1 Å²	138.1	74%	0.741	74%	0.744	S	S	*	*			trans	-105.6	131.4	173.1	-94	-88.9	0	0	0	110	G640	G640-F642 PolarHBondContact O-N 2.67Å
643	L	33.2	Very low	30.2	Very low	157 Å²	157	140.2 Å²	140.2	82%	0.822	75%	0.748	S	S	*	*				-166.4	100.7	105.4	-98.1	170.9	0	0	0	110.1
644	N	28.9	Very low	30.1	Very low	122 Å²	122	138.4 Å²	138.4	65%	0.652	74%	0.743	S	S	*	*			trans	56.1	161.1	131.6	-87.2	16.3	0	0	0	121.6
645	P	38.5	Very low	29.7	Very low	99 Å²	99	139.4 Å²	139.4	64%	0.643	74%	0.738	S	S	*	*			cis	-126.3	179.4	11.7	43	-29.4	0	0	0	116.9
646	D	28	Very low	29.5	Very low	129 Å²	129	142.7 Å²	142.7	69%	0.69	74%	0.742	S	S	*	*			trans	101.7	120.9	140.5	-74.3	-27.9	0	0	0	123.1
647	F	31.7	Very low	29.3	Very low	174 Å²	174	140.6 Å²	140.6	76%	0.763	74%	0.736	S	S	*	*			trans	66.4	92	151.2	-80.8	-97.2	0	0	0	122.4
648	S	30.5	Very low	29.5	Very low	98 Å²	98	142 Å²	142	69%	0.685	74%	0.738	S	S	*	*				72.5	160.6	109.1	73.9	0	0	0	0	121.5
649	V	28.3	Very low	29.6	Very low	129 Å²	129	142.1 Å²	142.1	78%	0.782	74%	0.741	S	S	*	*			cis	-161.8	158.7	-48.3	115.2	0	0	0	0	109.3
650	E	28	Very low	29.9	Very low	157 Å²	157	143.4 Å²	143.4	73%	0.734	75%	0.747	S	S	*	*			trans	-7.1	127	168.6	-52.9	-173	119.4	0	0	122.2
651	R	35.7	Very low	29.8	Very low	212 Å²	212	149 Å²	149	80%	0.8	76%	0.761	S	S	*	*				30.9	106.9	120.1	179	-146.4	-73.7	180	-3.7	117.8
652	F	24.7	Very low	29.9	Very low	185 Å²	185	150.1 Å²	150.1	81%	0.811	75%	0.751	S	S	*	*				-173.5	171.7	129	-121.3	-85	0	0	0	112.5
653	L	27	Very low	29.8	Very low	152 Å²	152	153.2 Å²	153.2	80%	0.796	76%	0.758	S	S	*	*			trans	81.1	153.3	164	-69.4	162.7	0	0	0	120.4
654	E	26.8	Very low	29.5	Very low	168 Å²	168	149 Å²	149	79%	0.785	74%	0.74	S	S	*	*			trans	52.1	125.2	173.6	-62.1	-174.7	114.1	0	0	119
655	I	24.8	Very low	29.6	Very low	140 Å²	140	148.1 Å²	148.1	72%	0.718	73%	0.732	S	S	*	*			cis	87.4	113	42.2	-63	170.4	0	0	0	112.6
656	F	30.2	Very low	29.6	Very low	188 Å²	188	146.6 Å²	146.6	83%	0.825	73%	0.734	S	S	*	*			trans	65.7	138.9	169.2	-94.9	-104.9	0	0	0	120.9
657	N	29.1	Very low	30.3	Very low	117 Å²	117	142.7 Å²	142.7	63%	0.626	72%	0.716	S	S	*	*			trans	62.8	102.5	157.6	-74.6	-19.7	0	0	0	122.5
658	Q	31.3	Very low	30.4	Very low	169 Å²	169	139.5 Å²	139.5	79%	0.79	71%	0.713	S	S	*	*				60.3	136.8	117.9	-65.4	178.2	79.6	0	0	120.4
659	S	33	Very low	30.7	Very low	95 Å²	95	139 Å²	139	66%	0.664	70%	0.702	S	S	*	*			cis	-169.8	141.8	-2	47.8	0	0	0	0	113.8
660	Q	33	Very low	30.9	Very low	183 Å²	183	137.1 Å²	137.1	86%	0.855	69%	0.694	S	S	*	*			trans	36	127.5	147.1	-51.8	-176.9	31.3	0	0	120.2
661	M	27.1	Very low	31.1	Very low	170 Å²	170	135.4 Å²	135.4	84%	0.837	70%	0.699	S	S	*	*			cis	65.6	110.9	46.4	-66.8	-168.1	169.2	0	0	117
662	N	30.1	Very low	31.1	Very low	139 Å²	139	130.7 Å²	130.7	74%	0.743	70%	0.696	S	S	*	*				-169.8	165.7	90.6	-124.8	-22.3	0	0	0	115.1
663	W	25.2	Very low	31.5	Very low	234 Å²	234	130.6 Å²	130.6	89%	0.886	70%	0.695	S	S	*	*			trans	-68.4	145.5	-163	-74.9	70.8	0	0	0	119.4
664	P	28.7	Very low	31.7	Very low	70 Å²	70	128.6 Å²	128.6	46%	0.455	69%	0.685	S	S	.	*			trans	-113.9	154.6	152.6	38.4	-29.6	0	0	0	113.5
665	Q	30.6	Very low	32.1	Very low	102 Å²	102	124.6 Å²	124.6	48%	0.477	67%	0.673	S	S	.	*				172.7	118.2	129.7	-97.9	168.5	25.7	0	0	114.1	Q2194	Q665-Q2194 VanDerWaalsContact NE2-C 3.34Å
666	G	38.8	Very low	32.4	Very low	68 Å²	68	124.2 Å²	124.2	70%	0.701	67%	0.672	S	S	*	*			trans	-102.2	168.9	132.4	0	0	0	0	0	108.7
667	P	41.6	Very low	32.4	Very low	47 Å²	47	117.9 Å²	117.9	31%	0.305	65%	0.651	S	S	.	*			trans	-144.3	160.2	141.5	17.6	5.2	0	0	0	115.7	K2191	P667-K2191 HydrophobicContact CG-CB 4.12Å; P667-K2191 WeakPolarHBondContact O-CD 3.47Å; P667-K2191 WeakPolarHBondContact O-CE 3.1Å; P667-K2191 PolarHBondContact O-NZ 2.93Å
668	P	34.3	Very low	32.6	Very low	107 Å²	107	115.4 Å²	115.4	70%	0.695	64%	0.642	S	S	*	*			trans	-95.1	-163	157.4	39.3	-33	0	0	0	111.6
669	I	36.4	Very low	32.5	Very low	88 Å²	88	116.1 Å²	116.1	45%	0.451	65%	0.646	S	S	.	*			trans	-146.8	144.5	173.1	-58.5	177.5	0	0	0	106	R2190 K2191	I669-R2190 WeakPolarHBondContact CD1-O 3.23Å; I669-K2191 HydrophobicContact CD1-CG 3.94Å; I669-K2191 HydrophobicContact CG1-CB 4.5Å; I669-K2191 HydrophobicContact CG1-CG 3.77Å
670	S	33.2	Very low	32.5	Very low	89 Å²	89	116.5 Å²	116.5	62%	0.622	65%	0.649	S	S	*	*			cis	-173.4	144.1	-32.4	62.3	0	0	0	0	108.5
671	S	32.4	Very low	32.3	Very low	120 Å²	120	114.8 Å²	114.8	84%	0.839	65%	0.645	S	S	*	*			trans	172.9	157.9	139.1	39.3	0	0	0	0	111.2
672	P	35.4	Very low	32.6	Very low	113 Å²	113	112.6 Å²	112.6	73%	0.734	64%	0.642	S	S	*	*			trans	-134.2	-172.2	-160.1	38.1	-17.7	0	0	0	115.8
673	K	32.9	Very low	32.8	Very low	183 Å²	183	114.3 Å²	114.3	80%	0.796	65%	0.645	S	S	*	*			trans	89.1	134.9	157.2	-72.6	-167.2	174	-172.4	0	119
674	N	31.6	Very low	33.3	Very low	110 Å²	110	109 Å²	109	59%	0.588	64%	0.638	S	S	*	*			cis	-171	143.5	-17	-131.7	37.5	0	0	0	113.8
675	T	34.3	Very low	33.6	Very low	85 Å²	85	111 Å²	111	52%	0.521	65%	0.649	S	S	.	*			trans	51.8	153.5	134.6	59.1	0	0	0	0	121.7
676	L	32.4	Very low	33.8	Very low	132 Å²	132	113.1 Å²	113.1	69%	0.691	66%	0.663	S	S	*	*			cis	-167.9	163.6	-4.3	-116.4	161.9	0	0	0	108.7
677	S	28.9	Very low	33.5	Very low	55 Å²	55	115.2 Å²	115.2	39%	0.385	67%	0.666	S	S	.	*				153.2	168.7	114.8	60	0	0	0	0	113.1
678	S	34	Very low	33.2	Very low	65 Å²	65	118.9 Å²	118.9	46%	0.455	69%	0.688	S	S	.	*			trans	76.9	153.7	-169.4	76.9	0	0	0	0	115.8
679	E	29	Very low	33.2	Very low	183 Å²	183	120.3 Å²	120.3	86%	0.855	69%	0.687	S	S	*	*			trans	-142.6	165	-158.7	-64.2	174.5	98.6	0	0	111.5
680	S	32	Very low	32.9	Very low	104 Å²	104	126.5 Å²	126.5	73%	0.727	71%	0.705	S	S	*	*			trans	69.7	118	161.1	73.9	0	0	0	0	119.6
681	N	29.2	Very low	32.8	Very low	146 Å²	146	128.7 Å²	128.7	78%	0.781	71%	0.705	S	S	*	*			trans	75	132.7	142.4	-63.9	-26.7	0	0	0	122.8
682	T	34.1	Very low	32.8	Very low	125 Å²	125	129 Å²	129	77%	0.767	70%	0.697	S	S	*	*			trans	67.5	106.6	146.8	46.2	0	0	0	0	121.1
683	Q	34	Very low	32.5	Very low	174 Å²	174	130.3 Å²	130.3	81%	0.813	69%	0.694	S	S	*	*			trans	65.3	102.7	134.4	-80.7	-174.9	-52.4	0	0	121.7
684	V	35.9	Very low	32.3	Very low	123 Å²	123	127 Å²	127	75%	0.745	69%	0.693	S	S	*	*				67.8	103	103.7	167.1	0	0	0	0	117.7
685	T	34.4	Very low	32.2	Very low	112 Å²	112	126.4 Å²	126.4	69%	0.687	70%	0.698	S	S	*	*				106.4	101.3	122.6	-71.4	0	0	0	0	121.6
686	I	35.2	Very low	32.2	Very low	147 Å²	147	128.8 Å²	128.8	75%	0.754	71%	0.712	S	S	*	*				78.9	124.5	126.3	-64.4	-175.9	0	0	0	121.5
687	S	33.1	Very low	32.2	Very low	111 Å²	111	127.1 Å²	127.1	78%	0.776	71%	0.712	S	S	*	*			trans	78.7	113.5	151.1	-71.7	0	0	0	0	122.6
688	T	35.6	Very low	32.4	Very low	125 Å²	125	130 Å²	130	77%	0.767	73%	0.727	S	S	*	*			trans	-60.8	156.8	141.7	40.9	0	0	0	0	111.8
689	M	33.2	Very low	32.3	Very low	137 Å²	137	133.2 Å²	133.2	68%	0.675	74%	0.744	S	S	*	*			cis	-155.3	137.9	-1.3	-123.7	-157.5	-52.7	0	0	110.4
690	R	31.4	Very low	32.3	Very low	217 Å²	217	131.4 Å²	131.4	82%	0.819	74%	0.74	S	S	*	*			trans	51.8	146.2	140.5	-61	174.1	-171.5	-179.3	1.1	119.3
691	H	30.7	Very low	32.2	Very low	136 Å²	136	131 Å²	131	63%	0.63	74%	0.737	S	S	*	*			cis	-145.2	-166.9	24.9	-152.1	40.4	0	0	0	113.5
692	D	31.1	Very low	32.1	Very low	126 Å²	126	129.7 Å²	129.7	67%	0.674	74%	0.738	S	S	*	*			trans	72	55.4	164.7	-55.3	-26.1	0	0	0	120.5
693	Q	30.9	Very low	31.9	Very low	141 Å²	141	132 Å²	132	66%	0.659	75%	0.745	S	S	*	*				41.4	123.9	109.2	-55.6	-171.6	75.5	0	0	122
694	S	28.8	Very low	31.5	Very low	113 Å²	113	133.9 Å²	133.9	79%	0.79	74%	0.744	S	S	*	*			trans	75.9	150.4	134.8	84.9	0	0	0	0	118.7
695	S	28.3	Very low	31.2	Very low	98 Å²	98	132.2 Å²	132.2	69%	0.685	74%	0.738	S	S	*	*			cis	-159.5	-170.9	-6.8	42	0	0	0	0	110.8
696	T	34.1	Very low	30.9	Very low	134 Å²	134	132.8 Å²	132.8	82%	0.822	73%	0.733	S	S	*	*			trans	82.8	141.3	178.4	72.5	0	0	0	0	116.9
697	S	32.3	Very low	30.6	Very low	97 Å²	97	134.2 Å²	134.2	68%	0.678	73%	0.734	S	S	*	*			cis	-165.7	158.1	-18.6	54	0	0	0	0	114.4
698	T	33.5	Very low	30.5	Very low	117 Å²	117	133.1 Å²	133.1	72%	0.718	73%	0.732	S	S	*	*			trans	61.8	110.3	140.1	49	0	0	0	0	124.2
699	V	31.3	Very low	30.1	Very low	131 Å²	131	131.8 Å²	131.8	79%	0.794	73%	0.728	S	S	*	*			trans	45.5	153.2	130.2	-62.8	0	0	0	0	125.4
700	D	30.6	Very low	29.8	Very low	146 Å²	146	131.5 Å²	131.5	78%	0.781	73%	0.734	S	S	*	*			trans	91.1	171	149	-97.3	-53.3	0	0	0	121.5
701	S	29.4	Very low	29.6	Very low	95 Å²	95	125.8 Å²	125.8	66%	0.664	72%	0.723	S	S	*	*				-139	148.2	-119.5	55.3	0	0	0	0	117.6
702	C	26	Very low	29.7	Very low	118 Å²	118	124.8 Å²	124.8	80%	0.797	73%	0.731	S	S	*	*			trans	63.3	131.1	159.3	-78	0	0	0	0	121.8
703	L	29.5	Very low	29.5	Very low	174 Å²	174	124.8 Å²	124.8	91%	0.911	73%	0.73	S	S	*	*			trans	72.2	160.7	157.2	-69.6	169.5	0	0	0	119.5
704	R	25.6	Very low	29.6	Very low	213 Å²	213	124.1 Å²	124.1	80%	0.804	74%	0.738	S	S	*	*			trans	-38.4	123.9	177.2	178.2	-169.5	-163.3	-156.7	6.5	114.7
705	S	30.5	Very low	30.1	Very low	88 Å²	88	121.2 Å²	121.2	62%	0.615	73%	0.726	S	S	*	*				-170.7	130.7	91.4	-147	0	0	0	0	116.6
706	Q	28.3	Very low	30.1	Very low	124 Å²	124	123.8 Å²	123.8	58%	0.579	73%	0.732	S	S	*	*			trans	21.7	148.1	135.8	-48.9	177	-59.5	0	0	123.4
707	F	28.8	Very low	30.3	Very low	177 Å²	177	123 Å²	123	78%	0.776	73%	0.729	S	S	*	*			trans	87	164.2	153.7	-57.9	-59.5	0	0	0	119.3
708	A	30.1	Very low	30	Very low	88 Å²	88	125.7 Å²	125.7	73%	0.727	74%	0.736	S	S	*	*			trans	55.9	100.1	-179.1	0	0	0	0	0	114.6
709	S	27.6	Very low	30.2	Very low	98 Å²	98	122.9 Å²	122.9	69%	0.685	73%	0.731	S	S	*	*			cis	54.7	115.5	30.1	-40.4	0	0	0	0	113.9
710	T	27.8	Very low	30.3	Very low	131 Å²	131	123.5 Å²	123.5	80%	0.804	74%	0.735	S	S	*	*			trans	65	162.6	152.7	61.8	0	0	0	0	115.9
711	T	27.4	Very low	30.4	Very low	96 Å²	96	123 Å²	123	59%	0.589	74%	0.737	S	S	*	*			cis	-153.5	131.3	14.2	-32.4	0	0	0	0	112.7	I713	T711-I713 HydrophobicContact CG2-CB 4.05Å; T711-I713 HydrophobicContact CG2-CD1 3.47Å; T711-I713 VanDerWaalsContact CG2-CD1 3.47Å; T711-I713 HydrophobicContact CG2-CG1 3.7Å
712	S	32.5	Very low	30.8	Very low	115 Å²	115	121.7 Å²	121.7	80%	0.804	74%	0.738	S	S	*	*			trans	-178.3	108.2	136.3	23.7	0	0	0	0	106.1
713	I	25.8	Very low	31.5	Very low	127 Å²	127	122.2 Å²	122.2	65%	0.651	74%	0.743	S	S	*	*			cis	52.8	103.1	33.5	-49.3	-167.9	0	0	0	109.1	T711	T711-I713 HydrophobicContact CG2-CB 4.05Å; T711-I713 HydrophobicContact CG2-CD1 3.47Å; T711-I713 VanDerWaalsContact CG2-CD1 3.47Å; T711-I713 HydrophobicContact CG2-CG1 3.7Å
714	P	34.2	Very low	32.3	Very low	127 Å²	127	123.1 Å²	123.1	83%	0.825	74%	0.742	S	S	*	*			cis	-72	146.7	41.7	-19.7	33.6	0	0	0	114.9
715	G	38.2	Very low	32.6	Very low	52 Å²	52	120.2 Å²	120.2	54%	0.536	74%	0.743	S	S	.	*			cis	83.8	106.4	45.4	0	0	0	0	0	107.2
716	N	29.7	Very low	32.8	Very low	151 Å²	151	122 Å²	122	81%	0.807	75%	0.749	S	S	*	*			cis	48.2	102.4	39.2	-145.4	52.3	0	0	0	110.2
717	P	36.5	Very low	32.9	Very low	117 Å²	117	124.5 Å²	124.5	76%	0.76	76%	0.758	S	S	*	*				-133.8	-174.4	88.6	41.1	-31.5	0	0	0	114.8
718	D	26.7	Very low	33	Very low	154 Å²	154	122.6 Å²	122.6	82%	0.824	75%	0.752	S	S	*	*			trans	-56.9	149.7	-170.5	-56.2	-88.7	0	0	0	117.1
719	G	38.3	Very low	33.1	Very low	59 Å²	59	123.5 Å²	123.5	61%	0.608	75%	0.753	S	S	*	*			trans	144.6	79.9	179.5	0	0	0	0	0	110.9	V721	G719-V721 PolarHBondContact O-N 3.37Å
720	T	32.7	Very low	33.3	Very low	144 Å²	144	126.6 Å²	126.6	88%	0.883	76%	0.762	S	S	*	*				54.9	32.7	64.1	-42	0	0	0	0	113.7
721	V	32.1	Very low	34.2	Very low	136 Å²	136	123.9 Å²	123.9	82%	0.824	76%	0.76	S	S	*	*			trans	-136.9	143.7	153.7	177	0	0	0	0	108.3	G719	G719-V721 PolarHBondContact O-N 3.37Å
722	G	38.2	Very low	34.5	Very low	66 Å²	66	124.9 Å²	124.9	68%	0.68	77%	0.771	S	S	*	*			trans	-92.5	152.4	177.1	0	0	0	0	0	113.3
723	S	42	Very low	34.3	Very low	129 Å²	129	121.9 Å²	121.9	90%	0.902	75%	0.75	S	S	*	*	S	Bend	trans	73.9	179	177.8	-58.9	0	0	0	0	115.7
724	Q	44.3	Very low	34.5	Very low	194 Å²	194	120.4 Å²	120.4	91%	0.907	74%	0.74	S	S	*	*	S	Bend	trans	-73.2	168	-157.4	-70.8	172.5	-38.4	0	0	115.3
725	N	33.8	Very low	34.9	Very low	152 Å²	152	119.7 Å²	119.7	81%	0.813	72%	0.724	S	S	*	*			trans	-50.5	137.8	-166.3	-67.6	-33.6	0	0	0	117.2
726	V	33	Very low	34.6	Very low	124 Å²	124	120.8 Å²	120.8	75%	0.752	72%	0.721	S	S	*	*				49.5	103.5	128.4	-174.6	0	0	0	0	117.4
727	K	31.9	Very low	35	Very low	177 Å²	177	123.2 Å²	123.2	77%	0.77	72%	0.719	S	S	*	*				56.7	132.6	127.6	-111.3	-160.5	167.2	-152.5	0	117.7
728	E	30.7	Very low	34.8	Very low	138 Å²	138	128.3 Å²	128.3	65%	0.645	72%	0.722	S	S	*	*			cis	-150.8	166.2	25.2	-77.9	175.9	151	0	0	112.8
729	S	31.3	Very low	35	Very low	106 Å²	106	127.7 Å²	127.7	74%	0.741	72%	0.724	S	S	*	*			trans	67.1	146.3	161.7	35.4	0	0	0	0	120.7
730	D	33.2	Very low	34.5	Very low	163 Å²	163	133.9 Å²	133.9	87%	0.872	74%	0.737	S	S	*	*	S	Bend	trans	63	102.3	161.7	-57.7	-14.8	0	0	0	121.5
731	G	46.6	Very low	34.5	Very low	75 Å²	75	135 Å²	135	77%	0.773	73%	0.725	S	S	*	*			trans	79.6	82.4	156.1	0	0	0	0	0	116.8
732	S	33.3	Very low	34.2	Very low	116 Å²	116	133.1 Å²	133.1	81%	0.811	71%	0.714	S	S	*	*			cis	59.5	113.7	46.5	-151.1	0	0	0	0	113.8
733	S	28.8	Very low	33.7	Very low	52 Å²	52	132 Å²	132	36%	0.364	70%	0.695	S	S	.	*			cis	-169.3	146.2	-0.4	24.1	0	0	0	0	114.8	S746	S733-S746 PolarHBondContact OG-OG 2.83Å
734	E	29.9	Very low	33.2	Very low	96 Å²	96	132.9 Å²	132.9	45%	0.449	69%	0.685	S	S	.	*			trans	78.2	162.6	140.6	-166.4	-146.5	131	0	0	119.1	Q744 S745 S746 S747	E734-Q744 CarbonylContact O-C 3.29Å; E734-Q744 VanDerWaalsContact O-C 3.28Å; E734-Q744 VanDerWaalsContact O-CA 3.28Å; E734-Q744 WeakPolarHBondContact O-CA 2.92Å; E734-S745 WeakPolarHBondContact CA-OG 3.32Å; E734-S745 WeakPolarHBondContact CB-OG 3.31Å; E734-S745 WeakPolarHBondContact CG-OG 3.33Å; E734-S745 VanDerWaalsContact O-CB 3.32Å; E734-S745 WeakPolarHBondContact O-CB 3.26Å; E734-S745 PolarHBondContact O-N 3.16Å; E734-S745 PolarHBondContact O-OG 2.76Å; E734-S745 WeakPolarHBondContact OE1-CB 3.38Å; E734-S745 PolarHBondContact OE1-OG 2.83Å; E734-S746 PolarHBondContact OE2-OG 3.48Å; E734-S747 PolarHBondContact OE1-N 2.89Å; E734-S747 VanDerWaalsContact OE2-CB 3.3Å; E734-S747 WeakPolarHBondContact OE2-CB 3.46Å; E734-S747 PolarHBondContact OE2-N 3.17Å; E734-S747 PolarHBondContact OE2-OG 3.35Å
735	K	42.5	Very low	32.3	Very low	113 Å²	113	125 Å²	125	49%	0.491	65%	0.652	S	S	.	*	B	Isolated β-bridge	trans	42.9	-152.7	173.9	-54.8	153.9	-118.6	144.8	0	119	Q744 S745 S746	K735-Q744 VanDerWaalsContact C-CA 3.44Å; K735-S745 WeakPolarHBondContact CA-OG 3.47Å; K735-S745 WeakPolarHBondContact CB-OG 3.37Å; K735-S745 WeakPolarHBondContact CD-OG 3.22Å; K735-S745 VanDerWaalsContact CE-CB 3.45Å; K735-S745 WeakPolarHBondContact CE-OG 3.32Å; K735-S745 WeakPolarHBondContact CG-OG 3.16Å; K735-S745 PolarHBondContact N-OG 3.03Å; K735-S745 PolarHBondContact NZ-O 2.81Å; K735-S745 VanDerWaalsContact NZ-O 3.08Å; K735-S746 PolarHBondContact NZ-O 2.97Å
736	T	31.7	Very low	32.1	Very low	75 Å²	75	120 Å²	120	46%	0.46	63%	0.629	S	S	.	*				-162.5	128.1	-122.3	-54.9	0	0	0	0	116.6	V742 S743 Q744	T736-V742 HydrophobicContact CG2-CG1 4.42Å; T736-V742 HydrophobicContact CG2-CG2 4.43Å; T736-S743 VanDerWaalsContact C-C 3.42Å; T736-S743 CarbonylContact C-O 3.49Å; T736-Q744 PolarHBondContact N-O 3.5Å
737	R	37.7	Very low	31.9	Very low	202 Å²	202	117.6 Å²	117.6	76%	0.762	62%	0.617	S	S	*	*			trans	157.1	166.5	162.3	-94.1	156.6	-176.4	-126.4	-4.7	114.6	R741 V742 S743	R737-R741 CarbonylContact C-O 3.57Å; R737-R741 CarbonylContact O-C 3.2Å; R737-R741 VanDerWaalsContact O-C 3.25Å; R737-V742 PolarHBondContact O-N 3.03Å; R737-S743 CarbonylContact C-O 3.28Å; R737-S743 WeakPolarHBondContact CA-O 3.37Å; R737-S743 PolarHBondContact N-O 3.44Å; R737-S743 PolarHBondContact O-N 2.69Å
738	R	32	Very low	31.7	Very low	223 Å²	223	119.8 Å²	119.8	84%	0.842	62%	0.62	S	S	*	*	S	Bend	trans	60.4	118.2	172.9	-77.3	-176.1	172.8	160.4	-1.6	119.8	R741	R738-R741 CarbonylContact C-O 3.25Å; R738-R741 WeakPolarHBondContact CA-O 3.18Å; R738-R741 PolarHBondContact N-O 2.71Å; R738-R741 VanDerWaalsContact O-O 3.1Å
739	V	30.3	Very low	31.6	Very low	142 Å²	142	118.2 Å²	118.2	86%	0.861	63%	0.625	S	S	*	*	S	Bend	trans	46.3	106.6	155.8	-172.5	0	0	0	0	114.6
740	H	29.1	Very low	31.5	Very low	189 Å²	189	120.4 Å²	120.4	88%	0.875	63%	0.628	S	S	*	*	S	Bend	trans	60.5	-133.3	-141.6	-144.9	-98.9	0	0	0	107.5
741	R	31.2	Very low	31.4	Very low	166 Å²	166	117.4 Å²	117.4	63%	0.626	62%	0.616	S	S	*	*			trans	15.7	142.5	150.3	-75.1	170.8	-178.3	148.8	2.8	119.4	R737 R738	R737-R741 CarbonylContact C-O 3.57Å; R737-R741 CarbonylContact O-C 3.2Å; R737-R741 VanDerWaalsContact O-C 3.25Å; R738-R741 CarbonylContact C-O 3.25Å; R738-R741 WeakPolarHBondContact CA-O 3.18Å; R738-R741 PolarHBondContact N-O 2.71Å; R738-R741 VanDerWaalsContact O-O 3.1Å
742	V	27.4	Very low	30.8	Very low	98 Å²	98	119.9 Å²	119.9	59%	0.594	62%	0.618	S	S	*	*			cis	64.1	47.6	17	-151.9	0	0	0	0	115.9	T736 R737	T736-V742 HydrophobicContact CG2-CG1 4.42Å; T736-V742 HydrophobicContact CG2-CG2 4.43Å; R737-V742 PolarHBondContact O-N 3.03Å
743	S	27.7	Very low	30.8	Very low	41 Å²	41	120.2 Å²	120.2	29%	0.287	62%	0.615	S	S	.	*			trans	-148.2	137.9	153.8	-59.6	0	0	0	0	111.9	T736 R737	T736-S743 VanDerWaalsContact C-C 3.42Å; T736-S743 CarbonylContact C-O 3.49Å; R737-S743 CarbonylContact C-O 3.28Å; R737-S743 WeakPolarHBondContact CA-O 3.37Å; R737-S743 PolarHBondContact N-O 3.44Å; R737-S743 PolarHBondContact O-N 2.69Å
744	Q	30.5	Very low	30.6	Very low	149 Å²	149	123 Å²	123	70%	0.696	63%	0.629	S	S	*	*	B	Isolated β-bridge	cis	-154.4	-171.8	-1	-110.1	147.2	4.5	0	0	108.9	E734 K735 T736	E734-Q744 CarbonylContact O-C 3.29Å; E734-Q744 VanDerWaalsContact O-C 3.28Å; E734-Q744 VanDerWaalsContact O-CA 3.28Å; E734-Q744 WeakPolarHBondContact O-CA 2.92Å; K735-Q744 VanDerWaalsContact C-CA 3.44Å; T736-Q744 PolarHBondContact N-O 3.5Å
745	S	26	Very low	30.4	Very low	29 Å²	29	123.7 Å²	123.7	20%	0.203	64%	0.64	C	S	.	*			trans	-105.1	-75.5	-169.7	-82.4	0	0	0	0	118.6	E734 K735	E734-S745 WeakPolarHBondContact CA-OG 3.32Å; E734-S745 WeakPolarHBondContact CB-OG 3.31Å; E734-S745 WeakPolarHBondContact CG-OG 3.33Å; E734-S745 VanDerWaalsContact O-CB 3.32Å; E734-S745 WeakPolarHBondContact O-CB 3.26Å; E734-S745 PolarHBondContact O-N 3.16Å; E734-S745 PolarHBondContact O-OG 2.76Å; E734-S745 WeakPolarHBondContact OE1-CB 3.38Å; E734-S745 PolarHBondContact OE1-OG 2.83Å; K735-S745 WeakPolarHBondContact CA-OG 3.47Å; K735-S745 WeakPolarHBondContact CB-OG 3.37Å; K735-S745 WeakPolarHBondContact CD-OG 3.22Å; K735-S745 VanDerWaalsContact CE-CB 3.45Å; K735-S745 WeakPolarHBondContact CE-OG 3.32Å; K735-S745 WeakPolarHBondContact CG-OG 3.16Å; K735-S745 PolarHBondContact N-OG 3.03Å; K735-S745 PolarHBondContact NZ-O 2.81Å; K735-S745 VanDerWaalsContact NZ-O 3.08Å
746	S	28.9	Very low	30.1	Very low	47 Å²	47	124.3 Å²	124.3	33%	0.329	65%	0.654	S	S	.	*				-42.2	165	-81.1	-134.1	0	0	0	0	117.5	S733 E734 K735	S733-S746 PolarHBondContact OG-OG 2.83Å; E734-S746 PolarHBondContact OE2-OG 3.48Å; K735-S746 PolarHBondContact NZ-O 2.97Å
747	S	28.5	Very low	30.3	Very low	72 Å²	72	125.1 Å²	125.1	50%	0.503	66%	0.663	S	S	.	*				-37.6	-165.9	129.6	43.9	0	0	0	0	114.1	E734	E734-S747 PolarHBondContact OE1-N 2.89Å; E734-S747 VanDerWaalsContact OE2-CB 3.3Å; E734-S747 WeakPolarHBondContact OE2-CB 3.46Å; E734-S747 PolarHBondContact OE2-N 3.17Å; E734-S747 PolarHBondContact OE2-OG 3.35Å
748	R	29	Very low	30	Very low	223 Å²	223	120 Å²	120	84%	0.842	66%	0.658	S	S	*	*			trans	76.2	100.4	-178.7	-68.5	-175	142.4	173.4	-5.5	116.9
749	S	27.8	Very low	30.2	Very low	106 Å²	106	115.7 Å²	115.7	74%	0.741	66%	0.656	S	S	*	*				53	124.1	123.5	62.9	0	0	0	0	120
750	D	30.3	Very low	30.3	Very low	152 Å²	152	114.6 Å²	114.6	81%	0.813	65%	0.649	S	S	*	*			trans	-54.6	145.1	175	-60.5	-86	0	0	0	116.1
751	V	31.1	Very low	30.4	Very low	100 Å²	100	111.2 Å²	111.2	61%	0.606	64%	0.642	S	S	*	*			trans	60	100.9	134.9	177.9	0	0	0	0	117.3
752	P	32.1	Very low	30.4	Very low	126 Å²	126	108.1 Å²	108.1	82%	0.818	65%	0.646	S	S	*	*	S	Bend		-66.3	135.6	117.9	33.8	-30.5	0	0	0	108.6
753	V	34.4	Very low	30.4	Very low	123 Å²	123	108.6 Å²	108.6	75%	0.745	65%	0.654	S	S	*	*	S	Bend	cis	-110.3	114.4	15.4	-173.3	0	0	0	0	110.9
754	V	23.8	Very low	30.6	Very low	111 Å²	111	114 Å²	114	67%	0.673	68%	0.68	S	S	*	*			trans	69.1	111.1	150.3	174.2	0	0	0	0	117.2
755	T	27.3	Very low	30.8	Very low	110 Å²	110	112.6 Å²	112.6	68%	0.675	69%	0.686	S	S	*	*			trans	85.5	134.5	140.1	-63.5	0	0	0	0	120.1
756	T	35	Very low	31.5	Very low	126 Å²	126	115.1 Å²	115.1	77%	0.773	70%	0.702	S	S	*	*			trans	61.4	137.9	165	51.6	0	0	0	0	118.2
757	S	36.9	Very low	31.8	Very low	93 Å²	93	115.8 Å²	115.8	65%	0.65	71%	0.707	S	S	*	*			cis	-169.6	136.1	-8.6	-108.2	0	0	0	0	108.1
758	S	31.4	Very low	32.2	Very low	95 Å²	95	117.2 Å²	117.2	66%	0.664	71%	0.706	S	S	*	*				40.8	121.9	87	77.6	0	0	0	0	113.2
759	T	35.6	Very low	32.4	Very low	131 Å²	131	113 Å²	113	80%	0.804	69%	0.689	S	S	*	*			cis	-167.3	167	31.6	43.3	0	0	0	0	109.8
760	V	32.6	Very low	32.9	Very low	119 Å²	119	112.3 Å²	112.3	72%	0.721	68%	0.681	S	S	*	*			cis	-175.6	-179.5	-24	69	0	0	0	0	108.3
761	T	30.7	Very low	33.2	Very low	118 Å²	118	109.7 Å²	109.7	72%	0.724	67%	0.671	S	S	*	*			trans	70.5	144.8	162.3	40.2	0	0	0	0	123.2
762	S	31	Very low	33.4	Very low	102 Å²	102	116.7 Å²	116.7	71%	0.713	69%	0.686	S	S	*	*			trans	79.2	125.4	143.5	49.8	0	0	0	0	124.3
763	S	28.7	Very low	33.4	Very low	108 Å²	108	116.8 Å²	116.8	76%	0.755	68%	0.684	S	S	*	*			trans	66.8	115.1	141.2	56.7	0	0	0	0	123.5
764	N	32	Very low	33.5	Very low	154 Å²	154	116.6 Å²	116.6	82%	0.824	69%	0.686	S	S	*	*			trans	32.2	126.4	138.3	-63.8	-7	0	0	0	122.9
765	S	34	Very low	34.2	Very low	119 Å²	119	113.2 Å²	113.2	83%	0.832	67%	0.673	S	S	*	*			trans	68	163.5	147.3	-76.5	0	0	0	0	119.5
766	P	39.8	Very low	34.9	Very low	82 Å²	82	112.3 Å²	112.3	53%	0.532	66%	0.663	S	S	.	*			cis	-129	-178.5	-20.5	30.9	-10.7	0	0	0	114.7	Q768	P766-Q768 PolarHBondContact O-NE2 3.31Å
767	S	36.7	Very low	35	Very low	62 Å²	62	109.5 Å²	109.5	43%	0.434	64%	0.642	S	S	.	*			trans	-9	147.8	161.5	-55.6	0	0	0	0	122.5	P262	P262-S767 CarbonylContact O-C 2.89Å; P262-S767 WeakPolarHBondContact O-CB 3.04Å
768	Q	36.8	Very low	35.1	Very low	102 Å²	102	109.7 Å²	109.7	48%	0.477	64%	0.636	S	S	.	*			trans	-157.7	-167.5	179.7	-20.6	66.8	24.3	0	0	111.8	P262 R264 P766	P262-Q768 PolarHBondContact O-N 3.34Å; R264-Q768 WeakPolarHBondContact CB-O 3.27Å; R264-Q768 PolarHBondContact N-O 3.2Å; P766-Q768 PolarHBondContact O-NE2 3.31Å
769	R	32.8	Very low	35.2	Very low	133 Å²	133	111.1 Å²	111.1	50%	0.502	64%	0.635	S	S	.	*			trans	73.7	162.3	164.9	-58.3	112.3	54.3	-121.7	-11.3	119.9	V263 R264	V263-R769 VanDerWaalsContact CG1-O 3.28Å; V263-R769 WeakPolarHBondContact CG1-O 3.35Å; R264-R769 HydrophobicContact CB-CB 4.14Å; R264-R769 WeakPolarHBondContact CB-O 3.18Å; R264-R769 VanDerWaalsContact CD-CB 3.5Å; R264-R769 HydrophobicContact CG-CB 4.49Å; R264-R769 PolarHBondContact O-NH1 3.38Å; R264-R769 PolarHBondContact O-NH2 3.24Å
770	T	37.5	Very low	35.1	Very low	93 Å²	93	109.3 Å²	109.3	57%	0.571	62%	0.616	S	S	*	*			trans	155.1	162.4	150.5	-53.8	0	0	0	0	111.5	R264	R264-T770 WeakPolarHBondContact CB-OG1 2.88Å; R264-T770 VanDerWaalsContact CD-OG1 3.23Å; R264-T770 WeakPolarHBondContact CD-OG1 3.17Å; R264-T770 WeakPolarHBondContact CG-OG1 3.44Å
771	T	36.6	Very low	35.1	Very low	96 Å²	96	107.7 Å²	107.7	59%	0.589	61%	0.606	S	S	*	*			trans	-143.5	174.4	-147.5	46.5	0	0	0	0	117	R264	R264-T771 PolarHBondContact NH2-OG1 3.08Å
772	R	35.2	Very low	35.1	Very low	248 Å²	248	103.4 Å²	103.4	94%	0.936	58%	0.581	S	S	*	*			trans	-90.1	150.8	176.1	-56.9	174.3	175.5	179.7	-2.2	113.7
773	V	32.1	Very low	35.1	Very low	127 Å²	127	100.8 Å²	100.8	77%	0.77	56%	0.562	S	S	*	*			trans	-158.3	152.1	176.2	-165.5	0	0	0	0	113.7
774	P	36.8	Very low	35.3	Very low	120 Å²	120	98.1 Å²	98.1	78%	0.779	55%	0.547	S	S	*	.			trans	-149.4	140.1	163.3	38.4	-19.2	0	0	0	121.2
775	G	37.8	Very low	35.4	Very low	39 Å²	39	94.1 Å²	94.1	40%	0.402	53%	0.531	S	S	.	.	B	Isolated β-bridge	trans	100.8	104.6	143.2	0	0	0	0	0	123.9	Q1892 G1893 T1894	G775-Q1892 WeakPolarHBondContact CA-O 3.29Å; G775-Q1892 PolarHBondContact N-O 2.91Å; G775-G1893 CarbonylContact O-C 3.14Å; G775-G1893 WeakPolarHBondContact O-CA 3.36Å; G775-T1894 PolarHBondContact O-N 3.41Å
776	L	42.7	Very low	35.5	Very low	91 Å²	91	91.6 Å²	91.6	48%	0.476	51%	0.513	S	S	.	.			trans	130.4	114.6	-178.1	-55.9	114.4	0	0	0	120.8	P283 Q1892 G1893 T1894	P283-L776 HydrophobicContact CB-CD1 4.4Å; P283-L776 HydrophobicContact CB-CG 3.97Å; P283-L776 VanDerWaalsContact CG-C 3.44Å; P283-L776 HydrophobicContact CG-CB 4.18Å; P283-L776 HydrophobicContact CG-CD2 4.21Å; P283-L776 HydrophobicContact CG-CG 3.65Å; L776-Q1892 VanDerWaalsContact N-C 3.32Å; L776-Q1892 CarbonylContact O-C 3.12Å; L776-G1893 VanDerWaalsContact C-N 3.28Å; L776-G1893 CarbonylContact O-C 3.48Å; L776-G1893 VanDerWaalsContact O-C 3.27Å; L776-G1893 WeakPolarHBondContact O-CA 3.47Å; L776-G1893 PolarHBondContact O-N 3.33Å; L776-T1894 VanDerWaalsContact CA-OG1 3.28Å; L776-T1894 WeakPolarHBondContact CA-OG1 3.24Å; L776-T1894 VanDerWaalsContact CB-OG1 3.3Å; L776-T1894 WeakPolarHBondContact CB-OG1 3.26Å
777	M	37.5	Very low	35.3	Very low	68 Å²	68	95.5 Å²	95.5	34%	0.335	52%	0.524	S	S	.	.			trans	-91	170	-178.3	-132.9	175.7	17.4	0	0	111.4	P283 V1891 Q1892	P283-M777 VanDerWaalsContact CD-SD 3.53Å; P283-M777 HydrophobicContact CG-CB 3.69Å; P283-M777 HydrophobicContact CG-CG 4.21Å; M777-V1891 HydrophobicContact CG-CB 4.11Å; M777-V1891 HydrophobicContact CG-CG1 3.93Å; M777-Q1892 PolarHBondContact SD-OE1 3.25Å
778	D	39.4	Very low	35.1	Very low	96 Å²	96	100.6 Å²	100.6	51%	0.513	54%	0.541	S	S	.	.			cis	-171.7	175.5	21.8	-149.1	-11.6	0	0	0	116.5
779	I	32.6	Very low	34.9	Very low	126 Å²	126	102.5 Å²	102.5	65%	0.646	55%	0.554	S	S	*	*			trans	87.2	131.5	144.9	-79.6	154.2	0	0	0	123.4
780	K	34	Very low	34.9	Very low	93 Å²	93	99.3 Å²	99.3	40%	0.404	56%	0.556	S	S	.	*			trans	73.6	94.2	163.1	-81.5	159.8	-177.4	-176.7	0	119.4	A2227 C2229 I2230	K780-A2227 HydrophobicContact CG-CB 4.36Å; K780-C2229 CarbonylContact O-C 2.95Å; K780-I2230 PolarHBondContact O-N 2.92Å
781	V	31.5	Very low	34.8	Very low	84 Å²	84	99.6 Å²	99.6	51%	0.509	55%	0.55	S	S	.	*			cis	71	151.9	34.7	-167.5	0	0	0	0	114.5	I2226 A2227 G2228 P2231	V781-I2226 HydrophobicContact CG1-CG2 4.29Å; V781-A2227 HydrophobicContact CB-CB 3.9Å; V781-A2227 HydrophobicContact CG1-CB 3.97Å; V781-A2227 VanDerWaalsContact O-CB 3.25Å; V781-A2227 WeakPolarHBondContact O-CB 3.3Å; V781-G2228 WeakPolarHBondContact O-CA 3.39Å; V781-G2228 PolarHBondContact O-N 3.23Å; V781-P2231 PolarHBondContact N-O 3.31Å
782	S	31.7	Very low	34.7	Very low	29 Å²	29	101 Å²	101	20%	0.203	55%	0.553	C	S	.	*			trans	-150.4	-174.2	-177.6	-154.8	0	0	0	0	115.7	C2229 P2233	S782-C2229 PolarHBondContact OG-SG 3.18Å; S782-C2229 VanDerWaalsContact OG-SG 3.34Å; S782-P2233 WeakPolarHBondContact CB-O 3.17Å
783	C	31.6	Very low	34.5	Very low	46 Å²	46	98.6 Å²	98.6	31%	0.311	54%	0.544	S	S	.	.			trans	-163.7	170	-166.2	-94.2	0	0	0	0	114.5	I2226 P2234 S2235	C783-I2226 WeakPolarHBondContact SG-CB 3.42Å; C783-I2226 WeakPolarHBondContact SG-CG2 3.35Å; C783-I2226 PolarHBondContact SG-O 2.61Å; C783-P2234 CarbonylContact O-C 3.56Å; C783-S2235 VanDerWaalsContact C-N 3.28Å; C783-S2235 PolarHBondContact O-N 3.25Å
784	A	31.5	Very low	34.7	Very low	53 Å²	53	96.9 Å²	96.9	44%	0.438	53%	0.531	S	S	.	.			cis	-176.5	160.7	-23.7	0	0	0	0	0	113.6	S2235 V2236	A784-S2235 VanDerWaalsContact C-C 3.43Å; A784-S2235 CarbonylContact C-O 3.35Å; A784-S2235 WeakPolarHBondContact CA-O 3.3Å; A784-S2235 PolarHBondContact N-O 2.89Å; A784-S2235 CarbonylContact O-C 3.58Å; A784-V2236 CarbonylContact O-C 3.07Å; A784-V2236 WeakPolarHBondContact O-CA 3.16Å; A784-V2236 PolarHBondContact O-N 3.03Å
785	S	34.6	Very low	34.6	Very low	69 Å²	69	97.4 Å²	97.4	48%	0.483	52%	0.521	S	S	.	.			trans	72	168.9	172.7	81.8	0	0	0	0	116.8	S2235 V2236 G2237	S785-S2235 CarbonylContact O-C 3.13Å; S785-V2236 CarbonylContact O-C 3.45Å; S785-V2236 PolarHBondContact O-N 3.22Å; S785-V2236 VanDerWaalsContact O-O 3.08Å; S785-G2237 PolarHBondContact OG-N 3.2Å; S785-G2237 PolarHBondContact OG-O 2.82Å
786	S	35.2	Very low	34.6	Very low	66 Å²	66	100.6 Å²	100.6	46%	0.462	53%	0.526	S	S	.	.			cis	-156.8	174.4	7.7	-95.5	0	0	0	0	110.6	G2237	S786-G2237 VanDerWaalsContact CB-O 3.27Å; S786-G2237 WeakPolarHBondContact CB-O 3.21Å; S786-G2237 PolarHBondContact OG-O 3.3Å
787	Q	36.7	Very low	34.1	Very low	164 Å²	164	100.6 Å²	100.6	77%	0.766	53%	0.526	S	S	*	.			cis	-177.2	159.7	-44.5	-106.2	175.2	116.2	0	0	112.4
788	H	33.1	Very low	34.1	Very low	169 Å²	169	102.2 Å²	102.2	78%	0.782	53%	0.533	S	S	*	.			trans	103.8	130	146.9	-132.8	-135.8	0	0	0	124.4
789	L	31.4	Very low	33.9	Very low	143 Å²	143	102.6 Å²	102.6	75%	0.749	53%	0.534	S	S	*	.			trans	70.7	110.6	157.4	-76.3	169.3	0	0	0	126.2
790	A	34.2	Very low	34.1	Very low	66 Å²	66	102.6 Å²	102.6	55%	0.545	54%	0.535	S	S	.	.				87.2	104.6	119.3	0	0	0	0	0	124.7
791	H	35.5	Very low	34	Very low	98 Å²	98	106.4 Å²	106.4	45%	0.454	55%	0.554	S	S	.	*				70.5	99.5	126	-82.3	-88.8	0	0	0	123.9
792	L	34.4	Very low	34.5	Very low	126 Å²	126	107.7 Å²	107.7	66%	0.66	56%	0.564	S	S	*	*				77	118.6	107.4	-157.5	77.8	0	0	0	119.5
793	W	30.8	Very low	34.6	Very low	197 Å²	197	113 Å²	113	75%	0.746	60%	0.595	S	S	*	*				176.3	158.2	110.5	-99.4	67.2	0	0	0	110.9
794	D	34.7	Very low	35.1	Very low	92 Å²	92	116.3 Å²	116.3	49%	0.492	62%	0.618	S	S	.	*			trans	68.9	126.2	154.4	-90.7	27.5	0	0	0	126.1
795	K	36	Very low	35.2	Very low	131 Å²	131	125.7 Å²	125.7	57%	0.57	64%	0.642	S	S	*	*			trans	100.1	112	133.3	-72	170.8	172	-75	0	124.3	T101	T101-K795 PolarHBondContact OG1-N 2.94Å
796	E	37.9	Very low	35.1	Very low	106 Å²	106	125.3 Å²	125.3	50%	0.495	65%	0.649	S	S	.	*				70.9	103.9	129.4	-66.8	164.4	-137.3	0	0	120.6	D102	D102-E796 HydrophobicContact CB-CG 3.9Å
797	D	31.8	Very low	35.3	Very low	90 Å²	90	128.7 Å²	128.7	48%	0.481	66%	0.656	S	S	.	*			trans	-57.5	166.3	157.7	-59.7	-46.3	0	0	0	111.8	D102 S103	D102-D797 VanDerWaalsContact O-CB 3.3Å; D102-D797 WeakPolarHBondContact O-CB 3.23Å; D102-D797 PolarHBondContact O-N 2.99Å; S103-D797 PolarHBondContact N-OD2 3.14Å; S103-D797 WeakPolarHBondContact OG-CB 3.37Å; S103-D797 PolarHBondContact OG-OD2 2.69Å
798	H	37.2	Very low	34.8	Very low	103 Å²	103	131.7 Å²	131.7	48%	0.477	66%	0.661	S	S	.	*				-156.9	127.3	116.3	-88	-2.4	0	0	0	112.1	P105	P105-H798 VanDerWaalsContact CA-CE1 3.46Å; P105-H798 WeakPolarHBondContact CA-CE1 3.42Å; P105-H798 WeakPolarHBondContact CB-NE2 3.29Å
799	L	35.8	Very low	34.5	Very low	104 Å²	104	127.6 Å²	127.6	55%	0.545	66%	0.664	S	S	.	*			trans	44.8	110.1	143.4	-59.3	175.1	0	0	0	122.6	F807	L799-F807 WeakPolarHBondContact O-CE2 3.23Å; L799-F807 WeakPolarHBondContact O-CZ 3.32Å
800	L	35.8	Very low	34.2	Very low	126 Å²	126	132 Å²	132	66%	0.66	67%	0.671	S	S	*	*				84.4	85.4	130	-61.2	172.9	0	0	0	122.3
801	E	33.3	Very low	34.2	Very low	172 Å²	172	132.2 Å²	132.2	80%	0.804	68%	0.679	S	S	*	*				67.6	154.6	128.5	-66.9	-172.2	145	0	0	121.7
802	P	40.4	Very low	33.7	Very low	111 Å²	111	136.8 Å²	136.8	72%	0.721	70%	0.698	S	S	*	*	S	Bend	cis	-127.3	121.2	-5.1	32.3	-12.3	0	0	0	115.2
803	V	35.5	Very low	33.7	Very low	142 Å²	142	136.2 Å²	136.2	86%	0.861	70%	0.704	S	S	*	*	S	Bend	trans	68.2	132.1	174.6	-168.8	0	0	0	0	114.7
804	S	40.5	Very low	33.8	Very low	114 Å²	114	133.7 Å²	133.7	80%	0.797	71%	0.705	S	S	*	*	S	Bend	trans	61.1	143.1	-156.2	-65.9	0	0	0	0	112.6	G806	S804-G806 PolarHBondContact O-N 3.23Å
805	R	34	Very low	33.9	Very low	250 Å²	250	135.9 Å²	135.9	94%	0.943	72%	0.715	S	S	*	*			trans	-93.4	98.8	179.4	-78.6	-179.5	167.1	-166.3	-8.1	109.1
806	G	32.6	Very low	33.5	Very low	61 Å²	61	134.3 Å²	134.3	63%	0.629	72%	0.72	S	S	*	*			trans	178.6	115.6	171.3	0	0	0	0	0	110	S804	S804-G806 PolarHBondContact O-N 3.23Å
807	F	38.9	Very low	33.2	Very low	137 Å²	137	139.4 Å²	139.4	60%	0.601	74%	0.737	S	S	*	*			cis	55.5	70.2	-4.1	-88.4	-72	0	0	0	117.2	L799	L799-F807 WeakPolarHBondContact O-CE2 3.23Å; L799-F807 WeakPolarHBondContact O-CZ 3.32Å
808	R	26.5	Very low	33.1	Very low	228 Å²	228	143.5 Å²	143.5	86%	0.86	75%	0.75	S	S	*	*				173.8	74.5	119.2	-86.9	150.1	-165.6	-109.9	3.8	111.2
809	G	27.2	Very low	33	Very low	83 Å²	83	143.3 Å²	143.3	86%	0.856	76%	0.758	S	S	*	*			trans	-89.4	99.7	168.4	0	0	0	0	0	110.8
810	R	25.9	Very low	32.9	Very low	235 Å²	235	145.1 Å²	145.1	89%	0.887	76%	0.763	S	S	*	*			trans	-74.7	122.1	-172.3	-65.1	159.6	162	171.6	-6.8	112.4
811	G	32.5	Very low	32.6	Very low	70 Å²	70	148.6 Å²	148.6	72%	0.722	77%	0.768	S	S	*	*			trans	-166.7	81.3	165.6	0	0	0	0	0	109.7
812	K	27	Very low	32.5	Very low	195 Å²	195	143.2 Å²	143.2	85%	0.848	76%	0.759	S	S	*	*				62.1	133.3	79	-68.2	-174.1	176.5	177.8	0	112.7
813	S	33.9	Very low	32	Very low	113 Å²	113	143.9 Å²	143.9	79%	0.79	77%	0.766	S	S	*	*			trans	86.3	125.8	176.4	-147	0	0	0	0	116.2
814	L	32.8	Very low	31.7	Very low	145 Å²	145	141.1 Å²	141.1	76%	0.759	76%	0.758	S	S	*	*			cis	-156.9	174.6	-20	-120.3	178.7	0	0	0	108.7
815	I	36.7	Very low	31.4	Very low	138 Å²	138	145 Å²	145	71%	0.708	76%	0.761	S	S	*	*			trans	58.7	94.3	162.8	-61.7	153.6	0	0	0	114.7
816	S	27.2	Very low	31.4	Very low	98 Å²	98	135 Å²	135	69%	0.685	74%	0.735	S	S	*	*				51.8	101.2	84.7	-62.6	0	0	0	0	115
817	Y	32.7	Very low	31.3	Very low	213 Å²	213	143.8 Å²	143.8	84%	0.835	75%	0.749	S	S	*	*				-163.8	134	94.8	-118.6	-103.9	0	0	0	114.5
818	K	29	Very low	30.9	Very low	176 Å²	176	138.4 Å²	138.4	77%	0.765	73%	0.732	S	S	*	*			trans	-21.8	164.9	142.5	-77.1	174.9	178.4	169.6	0	117
819	P	34.9	Very low	31.1	Very low	99 Å²	99	133.8 Å²	133.8	64%	0.643	73%	0.73	S	S	*	*			cis	-147.2	-161.4	-27.2	36.2	-13.7	0	0	0	114.4
820	Q	33.4	Very low	31.3	Very low	141 Å²	141	132.6 Å²	132.6	66%	0.659	71%	0.708	S	S	*	*			trans	96.1	116.9	135.4	-126.2	63.1	-38.5	0	0	121
821	R	29.3	Very low	31.8	Very low	200 Å²	200	129.5 Å²	129.5	76%	0.755	70%	0.701	S	S	*	*			trans	30.7	117.5	137.3	-56.6	176	178.5	-174.3	-5.6	116.5	P111	P111-R821 PolarHBondContact O-NH2 3.14Å
822	G	32.2	Very low	31.7	Very low	59 Å²	59	130 Å²	130	61%	0.608	69%	0.693	S	S	*	*				90	135.7	53	0	0	0	0	0	111.3
823	S	28.3	Very low	32.1	Very low	125 Å²	125	127.2 Å²	127.2	87%	0.874	68%	0.683	S	S	*	*			trans	54.8	104.4	161.6	-61.4	0	0	0	0	120.1
824	A	31.1	Very low	32.4	Very low	84 Å²	84	127.4 Å²	127.4	69%	0.694	68%	0.675	S	S	*	*				125.8	154.4	112.4	0	0	0	0	0	116.6
825	K	32.2	Very low	32.7	Very low	196 Å²	196	124.7 Å²	124.7	85%	0.852	66%	0.66	S	S	*	*			trans	57.8	127.7	164.9	-66.3	176.8	-179.6	174.8	0	117.6	V1773	K825-V1773 WeakPolarHBondContact O-CG1 3.31Å
826	G	35.1	Very low	32.4	Very low	39 Å²	39	125.1 Å²	125.1	40%	0.402	66%	0.66	S	S	.	*			trans	134.1	99.9	149.2	0	0	0	0	0	112.9	G828 V1773 L1774	G826-G828 PolarHBondContact O-N 2.87Å; G826-V1773 CarbonylContact O-C 2.99Å; G826-V1773 WeakPolarHBondContact O-CG1 3.47Å; G826-L1774 PolarHBondContact O-N 2.94Å
827	R	30.5	Very low	33	Very low	246 Å²	246	124.1 Å²	124.1	93%	0.928	66%	0.657	S	S	*	*			trans	-59.3	122.9	156.7	-65.3	173.6	176.7	177.7	-1.4	107
828	G	30.8	Very low	33.4	Very low	24 Å²	24	119.6 Å²	119.6	25%	0.247	65%	0.651	C	S	.	*			trans	-64.6	-101.4	169.8	0	0	0	0	0	111.8	G826 S1772 V1773	G826-G828 PolarHBondContact O-N 2.87Å; G828-S1772 WeakPolarHBondContact CA-O 3.5Å; G828-V1773 PolarHBondContact N-O 2.97Å
829	T	29.9	Very low	33.8	Very low	131 Å²	131	116.5 Å²	116.5	80%	0.804	65%	0.647	S	S	*	*			trans	62.1	144.1	-157.4	79.1	0	0	0	0	112.2
830	S	31.8	Very low	34.2	Very low	58 Å²	58	114 Å²	114	41%	0.406	64%	0.639	S	S	.	*			trans	174.8	143.3	148	-79.3	0	0	0	0	109.5
831	K	36.5	Very low	34.6	Very low	169 Å²	169	114.3 Å²	114.3	74%	0.735	65%	0.646	S	S	*	*			cis	-149.3	151.1	-14.6	-116.1	177.7	-151.2	85.1	0	110.8
832	S	30.9	Very low	35	Very low	80 Å²	80	111 Å²	111	56%	0.559	64%	0.642	S	S	*	*			trans	-44.9	171.2	153.9	46.1	0	0	0	0	114.2
833	H	35	Very low	35.5	Very low	137 Å²	137	116.4 Å²	116.4	63%	0.634	65%	0.649	S	S	*	*				179.2	176.3	79	-104.1	-42.8	0	0	0	114.3
834	L	40.6	Very low	35.7	Very low	117 Å²	117	114.5 Å²	114.5	61%	0.613	64%	0.636	S	S	*	*			cis	-128.6	-87.7	-20.7	175.4	40.5	0	0	0	112.8	E836	L834-E836 WeakPolarHBondContact CD2-O 3.09Å; L834-E836 WeakPolarHBondContact CG-O 3.04Å
835	L	38.1	Very low	35.7	Very low	88 Å²	88	118 Å²	118	46%	0.461	64%	0.64	S	S	.	*	S	Bend	cis	-142.6	170.4	6.6	-60.7	167.2	0	0	0	109.1	V838	L835-V838 VanDerWaalsContact CD2-C 3.49Å; L835-V838 WeakPolarHBondContact CD2-O 3.11Å
836	E	31.7	Very low	35.6	Very low	148 Å²	148	114.2 Å²	114.2	69%	0.692	63%	0.628	S	S	*	*	S	Bend	cis	-19.8	130.7	-29.9	-170.5	172.4	-135.3	0	0	115.1	L834	L834-E836 WeakPolarHBondContact CD2-O 3.09Å; L834-E836 WeakPolarHBondContact CG-O 3.04Å
837	A	39.5	Very low	35.5	Very low	76 Å²	76	119.1 Å²	119.1	63%	0.628	65%	0.645	S	S	*	*	S	Bend	cis	-125.2	134.7	11.7	0	0	0	0	0	113.1
838	V	40.8	Very low	35.6	Very low	119 Å²	119	117.5 Å²	117.5	72%	0.721	64%	0.639	S	S	*	*	S	Bend	trans	73.6	101.1	169.8	-169.2	0	0	0	0	118.1	L835	L835-V838 VanDerWaalsContact CD2-C 3.49Å; L835-V838 WeakPolarHBondContact CD2-O 3.11Å
839	T	37.6	Very low	35.5	Very low	111 Å²	111	123.5 Å²	123.5	68%	0.681	66%	0.66	S	S	*	*			trans	42.5	135.6	156.7	58.4	0	0	0	0	120.4
840	G	43	Very low	35.4	Very low	46 Å²	46	122.1 Å²	122.1	47%	0.474	66%	0.656	S	S	.	*			cis	103	132.5	22.9	0	0	0	0	0	109.3
841	D	41.5	Very low	35.4	Very low	148 Å²	148	126.8 Å²	126.8	79%	0.791	68%	0.677	S	S	*	*			trans	65.3	163.4	155.2	-57.4	-31.3	0	0	0	118.7
842	L	37.1	Very low	34.9	Very low	130 Å²	130	124 Å²	124	68%	0.681	67%	0.67	S	S	*	*			cis	-153.3	176.3	-34.5	-112.6	169.1	0	0	0	109.8
843	K	43.1	Very low	35.4	Very low	172 Å²	172	125 Å²	125	75%	0.748	67%	0.674	S	S	*	*			trans	8.4	111.5	147.4	-79.9	172.9	-174.8	177.5	0	119.2
844	S	32.8	Very low	35.3	Very low	85 Å²	85	124.3 Å²	124.3	59%	0.594	67%	0.671	S	S	*	*				51.3	135.6	104.3	75.5	0	0	0	0	121.4
845	M	31.7	Very low	34.9	Very low	159 Å²	159	124.3 Å²	124.3	78%	0.783	66%	0.664	S	S	*	*			trans	71.3	137.8	143	-64.9	166.2	79.9	0	0	117.1
846	D	30.5	Very low	34.7	Very low	115 Å²	115	123.7 Å²	123.7	62%	0.615	67%	0.666	S	S	*	*			cis	-160.6	163.2	-5.8	-116.4	-12.6	0	0	0	110.9
847	L	32.8	Very low	34.9	Very low	143 Å²	143	120.7 Å²	120.7	75%	0.749	67%	0.667	S	S	*	*			trans	42	127.3	147.1	-58.1	166.3	0	0	0	118.2
848	R	31.1	Very low	34.8	Very low	212 Å²	212	124.5 Å²	124.5	80%	0.8	68%	0.677	S	S	*	*				-163.6	-175.2	52.1	-141.4	167.6	-175	162.3	4.7	114
849	E	30.2	Very low	34.5	Very low	150 Å²	150	125.4 Å²	125.4	70%	0.701	68%	0.677	S	S	*	*			trans	-77.9	160.9	-158.5	-63.6	144.9	102.3	0	0	117.8
850	S	28.1	Very low	34.3	Very low	102 Å²	102	129.1 Å²	129.1	71%	0.713	68%	0.68	S	S	*	*			trans	89.9	137.4	143.9	68.6	0	0	0	0	121.5
851	N	30.1	Very low	34	Very low	156 Å²	156	133 Å²	133	83%	0.834	69%	0.69	S	S	*	*			trans	85.4	109.4	165.9	-56.1	-16.7	0	0	0	119.6
852	D	27.9	Very low	33.5	Very low	111 Å²	111	131.3 Å²	131.3	59%	0.594	69%	0.685	S	S	*	*			trans	-71.3	-179.8	153.7	-78.8	-41.3	0	0	0	111.1	K215	K215-D852 WeakPolarHBondContact CE-OD1 3Å; K215-D852 IonicContact NZ-OD1 3.44Å; K215-D852 PolarHBondContact NZ-OD1 3.2Å; K215-D852 IonicContact NZ-OD2 2.73Å; K215-D852 PolarHBondContact NZ-OD2 3.02Å
853	P	39.8	Very low	33.1	Very low	99 Å²	99	128.3 Å²	128.3	64%	0.643	68%	0.675	S	S	*	*			cis	-135.9	-167.8	7.3	24.9	2.4	0	0	0	115.5
854	H	34.5	Very low	32.9	Very low	123 Å²	123	127.3 Å²	127.3	57%	0.569	67%	0.672	S	S	*	*			trans	66.9	139.9	171.3	-65.3	-95.1	0	0	0	117.8
855	Y	30.3	Very low	32.7	Very low	118 Å²	118	131.8 Å²	131.8	46%	0.463	68%	0.676	S	S	.	*			cis	78.2	156.9	27.5	-68.5	-81.1	0	0	0	115	S214 K215 S216	S214-Y855 WeakPolarHBondContact O-CE1 3.35Å; K215-Y855 WeakPolarHBondContact CA-OH 3.35Å; K215-Y855 HydrophobicContact CB-CD2 3.28Å; K215-Y855 HydrophobicContact CB-CE2 3.06Å; K215-Y855 HydrophobicContact CB-CG 4.29Å; K215-Y855 HydrophobicContact CG-CD2 3.67Å; K215-Y855 HydrophobicContact CG-CE2 3.04Å; K215-Y855 WeakPolarHBondContact O-CD1 3.09Å; K215-Y855 WeakPolarHBondContact O-CD2 3.3Å; K215-Y855 WeakPolarHBondContact O-CE1 3.5Å; K215-Y855 WeakPolarHBondContact O-CE2 3.39Å; S216-Y855 VanDerWaalsContact CB-CB 3.46Å; S216-Y855 PolarHBondContact N-OH 3.06Å; S216-Y855 PolarHBondContact O-OH 2.99Å; S216-Y855 VanDerWaalsContact OG-CB 3.24Å; S216-Y855 WeakPolarHBondContact OG-CB 3.21Å; S216-Y855 WeakPolarHBondContact OG-CD1 3.09Å; S216-Y855 VanDerWaalsContact OG-CG 3.23Å
856	S	35.6	Very low	32.7	Very low	74 Å²	74	128 Å²	128	52%	0.517	67%	0.665	S	S	.	*			cis	-143.8	179.6	1.7	-144.4	0	0	0	0	112.4	S216	S216-S856 PolarHBondContact OG-OG 3.14Å; S216-S856 VanDerWaalsContact OG-OG 3.07Å
857	A	34.9	Very low	32.8	Very low	85 Å²	85	129.8 Å²	129.8	70%	0.702	67%	0.67	S	S	*	*			trans	58.3	126.2	159.8	0	0	0	0	0	119.3
858	D	36.6	Very low	32.7	Very low	156 Å²	156	128 Å²	128	83%	0.834	67%	0.669	S	S	*	*			trans	-50.6	152.3	151.5	-43.3	-99.1	0	0	0	111.3
859	D	36	Very low	33.1	Very low	138 Å²	138	122.9 Å²	122.9	74%	0.738	66%	0.661	S	S	*	*				-159.4	153.7	126.3	-127	-12.9	0	0	0	115.5
860	Y	31.7	Very low	33.2	Very low	190 Å²	190	118.2 Å²	118.2	75%	0.745	65%	0.645	S	S	*	*			trans	40.7	156.7	162.5	-79.7	-75	0	0	0	124.8
861	D	38.3	Very low	33.4	Very low	128 Å²	128	117.6 Å²	117.6	68%	0.684	63%	0.63	S	S	*	*			trans	65.4	103.8	158.6	-73.4	2	0	0	0	120.3
862	V	30.4	Very low	33.4	Very low	112 Å²	112	113.7 Å²	113.7	68%	0.679	62%	0.615	S	S	*	*				82	119.6	61.9	167.4	0	0	0	0	110.7
863	S	27.7	Very low	33.6	Very low	66 Å²	66	111.6 Å²	111.6	46%	0.462	61%	0.608	S	S	.	*				33.8	134	128.9	-147.6	0	0	0	0	117.2	R865	S863-R865 WeakPolarHBondContact OG-CB 3.19Å
864	H	38.7	Very low	33.2	Very low	151 Å²	151	115.3 Å²	115.3	70%	0.699	61%	0.614	S	S	*	*			cis	-131.6	124	39.9	-82.4	-104.1	0	0	0	111.9
865	R	29.7	Very low	33	Very low	180 Å²	180	114.2 Å²	114.2	68%	0.679	62%	0.62	S	S	*	*				71.8	143.6	59.5	-172.5	-152.6	-168.3	-153.4	12.3	110.9	S863	S863-R865 WeakPolarHBondContact OG-CB 3.19Å
866	S	30.9	Very low	32.9	Very low	78 Å²	78	118.2 Å²	118.2	55%	0.545	64%	0.635	S	S	.	*			trans	74.1	138.2	158.6	31.5	0	0	0	0	117.5
867	H	32.9	Very low	32.6	Very low	153 Å²	153	122.9 Å²	122.9	71%	0.708	64%	0.641	S	S	*	*			cis	-158.2	147	-4.6	-111.1	-29.7	0	0	0	114.6
868	S	31.8	Very low	32.4	Very low	105 Å²	105	123.8 Å²	123.8	73%	0.734	64%	0.643	S	S	*	*			trans	72.8	159.2	148.2	74.6	0	0	0	0	116.4
869	V	37.8	Very low	32.6	Very low	105 Å²	105	126.2 Å²	126.2	64%	0.636	65%	0.645	S	S	*	*			cis	-139.5	118.5	22.8	-178.4	0	0	0	0	113
870	S	32.7	Very low	32.8	Very low	52 Å²	52	125.5 Å²	125.5	36%	0.364	65%	0.648	S	S	.	*			trans	67.9	155.2	147	-67.7	0	0	0	0	121.4	V145	V145-S870 PolarHBondContact O-OG 2.67Å
871	K	31.9	Very low	32.8	Very low	90 Å²	90	120.7 Å²	120.7	39%	0.391	64%	0.643	S	S	.	*			cis	-154	135.6	-5.7	-100.5	149.5	-149.1	-154.2	0	106.6	V145 S146	V145-K871 VanDerWaalsContact O-CE 3.29Å; V145-K871 WeakPolarHBondContact O-CE 3.29Å; V145-K871 WeakPolarHBondContact O-CG 2.96Å; S146-K871 VanDerWaalsContact N-CE 3.3Å; S146-K871 VanDerWaalsContact O-CD 3.32Å; S146-K871 WeakPolarHBondContact O-CD 3.3Å; S146-K871 VanDerWaalsContact O-CE 3.23Å; S146-K871 WeakPolarHBondContact O-CE 3.13Å; S146-K871 PolarHBondContact O-NZ 3.26Å; S146-K871 PolarHBondContact OG-NZ 3.4Å
872	S	30.7	Very low	32.4	Very low	74 Å²	74	122.7 Å²	122.7	52%	0.517	65%	0.648	S	S	.	*				59.9	127.8	71.9	-157.5	0	0	0	0	114.7
873	S	33.3	Very low	32.5	Very low	66 Å²	66	121.6 Å²	121.6	46%	0.462	65%	0.645	S	S	.	*			cis	-177.4	170.6	-10.9	49.8	0	0	0	0	112.6	M140	M140-S873 WeakPolarHBondContact CE-OG 3.41Å; M140-S873 PolarHBondContact SD-OG 2.99Å; M140-S873 VanDerWaalsContact SD-OG 3.35Å
874	K	31.4	Very low	32.6	Very low	177 Å²	177	124.4 Å²	124.4	77%	0.77	66%	0.659	S	S	*	*			trans	63.3	107	144.9	-77.9	171.4	178.6	176.3	0	122.3	M140	M140-K874 HydrophobicContact SD-CD 4.41Å
875	S	29.2	Very low	32.4	Very low	100 Å²	100	122.7 Å²	122.7	70%	0.699	66%	0.655	S	S	*	*				86.6	156.5	119.5	81.9	0	0	0	0	122.8
876	W	28.3	Very low	32.8	Very low	202 Å²	202	120.9 Å²	120.9	77%	0.765	66%	0.659	S	S	*	*			trans	61.2	115.2	170.8	-68.5	95.4	0	0	0	121
877	R	30.1	Very low	33.2	Very low	173 Å²	173	119.5 Å²	119.5	65%	0.653	65%	0.649	S	S	*	*			trans	77.1	137	159.3	-65.5	-170.5	176.6	-94.7	6.2	120.2	N193	N193-R877 PolarHBondContact OD1-NH2 2.88Å
878	S	31.3	Very low	33.7	Very low	104 Å²	104	117.9 Å²	117.9	73%	0.727	65%	0.65	S	S	*	*			trans	66.3	96.8	146.8	47.1	0	0	0	0	121.6
879	K	40.3	Very low	34.4	Very low	206 Å²	206	120.1 Å²	120.1	90%	0.896	65%	0.652	S	S	*	*			trans	67.3	176.3	152.8	-63.7	-173.1	179.2	-177.3	0	113.4
880	P	38.7	Very low	34.9	Very low	123 Å²	123	122.2 Å²	122.2	80%	0.799	66%	0.66	S	S	*	*			cis	-126.5	-155.3	0.6	44.1	-27.1	0	0	0	113.6
881	S	32	Very low	35.6	Very low	90 Å²	90	123.3 Å²	123.3	63%	0.629	67%	0.671	S	S	*	*			trans	-87.6	148	164.2	48.6	0	0	0	0	112
882	H	29.9	Very low	35.8	Very low	170 Å²	170	129.8 Å²	129.8	79%	0.787	70%	0.695	S	S	*	*				173	166.4	121.9	-106.2	-79.8	0	0	0	113.1
883	S	32.4	Very low	35.9	Very low	88 Å²	88	133 Å²	133	62%	0.615	71%	0.706	S	S	*	*			trans	-78.6	153.1	178.1	51.5	0	0	0	0	115.3
884	V	31.6	Very low	35.8	Very low	126 Å²	126	137.8 Å²	137.8	76%	0.764	72%	0.724	S	S	*	*			trans	-157.6	148.2	157.9	-93.4	0	0	0	0	109.5
885	D	34.3	Very low	35.8	Very low	115 Å²	115	136.4 Å²	136.4	62%	0.615	73%	0.725	S	S	*	*			cis	-133.8	-112.6	-15.2	-150.3	-41.1	0	0	0	111.3
886	D	38.3	Very low	36	Very low	141 Å²	141	136.4 Å²	136.4	75%	0.754	73%	0.725	S	S	*	*			cis	-147.4	168.3	-9.5	-150.6	-22.5	0	0	0	112.1
887	S	38.2	Very low	36.2	Very low	50 Å²	50	135.7 Å²	135.7	35%	0.35	72%	0.722	S	S	.	*			trans	-157.3	102.9	159.7	46.3	0	0	0	0	116.4	K171	K171-S887 WeakPolarHBondContact CE-OG 3.28Å; K171-S887 PolarHBondContact NZ-O 3.28Å; K171-S887 PolarHBondContact NZ-OG 3.42Å
888	V	44.2	Very low	36.1	Very low	118 Å²	118	133.6 Å²	133.6	72%	0.715	73%	0.728	S	S	*	*				75.2	107.5	127.5	179.1	0	0	0	0	120.1
889	I	45.3	Very low	36.6	Very low	153 Å²	153	137.8 Å²	137.8	79%	0.785	73%	0.733	S	S	*	*				46.9	149.6	121.9	-53.9	169.7	0	0	0	120
890	D	48.7	Very low	36.6	Very low	149 Å²	149	132.9 Å²	132.9	80%	0.797	73%	0.725	S	S	*	*				-173.7	154.1	-50.5	-130.4	-39.6	0	0	0	109.6
891	A	47.9	Very low	36.4	Very low	74 Å²	74	129.6 Å²	129.6	61%	0.612	71%	0.713	S	S	*	*			trans	28.5	134.6	170.3	0	0	0	0	0	121.6
892	Y	34.9	Very low	36.7	Very low	226 Å²	226	133.2 Å²	133.2	89%	0.886	73%	0.725	S	S	*	*			cis	-138.1	146.6	24.2	-80.8	-99.9	0	0	0	113.7
893	N	34.6	Very low	36.7	Very low	141 Å²	141	129.4 Å²	129.4	75%	0.754	71%	0.713	S	S	*	*			trans	21.1	108.3	153.2	-151.2	20.2	0	0	0	120.8
894	M	30	Very low	36.6	Very low	167 Å²	167	131.7 Å²	131.7	82%	0.823	72%	0.719	S	S	*	*	S	Bend	trans	63.4	119.9	162.3	-62.4	-61.9	166.3	0	0	119.7
895	N	31	Very low	37	Very low	149 Å²	149	130.4 Å²	130.4	80%	0.797	71%	0.708	S	S	*	*			trans	58.1	101.5	162.5	-86.6	-3.6	0	0	0	120
896	S	34	Very low	37.2	Very low	100 Å²	100	132.5 Å²	132.5	70%	0.699	71%	0.714	S	S	*	*				90.5	146.8	119.2	85.9	0	0	0	0	120.6
897	R	32.5	Very low	37.7	Very low	187 Å²	187	133.9 Å²	133.9	71%	0.706	72%	0.716	S	S	*	*			trans	67.3	131.3	160.6	-62.7	-164.7	175.5	-157.5	-3.4	116.3	D919	R897-D919 IonicContact NH2-OD1 3.49Å; R897-D919 IonicContact NH2-OD2 2.7Å
898	V	29.1	Very low	37.5	Very low	129 Å²	129	138.5 Å²	138.5	78%	0.782	73%	0.733	S	S	*	*			cis	67.3	123.2	47	180	0	0	0	0	112.3
899	K	40.7	Very low	37.1	Very low	191 Å²	191	143.4 Å²	143.4	83%	0.83	74%	0.739	S	S	*	*			trans	178.3	159	152.1	-104	171.6	-178	-175	0	108.4
900	S	41.1	Very low	36.7	Very low	104 Å²	104	146.3 Å²	146.3	73%	0.727	74%	0.742	S	S	*	*			cis	-152.8	153.1	-4	14.6	0	0	0	0	107.9
901	G	34.6	Very low	35.9	Very low	54 Å²	54	149.8 Å²	149.8	56%	0.557	74%	0.744	S	S	*	*			cis	94.6	84.2	10.3	0	0	0	0	0	111.9
902	L	36.9	Very low	35.4	Very low	166 Å²	166	155.1 Å²	155.1	87%	0.869	75%	0.753	S	S	*	*			trans	-131.1	116.3	156.2	-77.2	170	0	0	0	103.7
903	T	30.2	Very low	35.8	Very low	89 Å²	89	152.1 Å²	152.1	55%	0.546	75%	0.747	S	S	.	*			cis	59.2	134.8	21.1	107.8	0	0	0	0	113.2
904	D	31.3	Very low	36.1	Very low	137 Å²	137	149.8 Å²	149.8	73%	0.733	74%	0.737	S	S	*	*			cis	-109.7	-176.2	-10.3	-67.2	-87	0	0	0	107.9
905	D	39.9	Very low	36.4	Very low	99 Å²	99	151.9 Å²	151.9	53%	0.529	74%	0.736	S	S	.	*				-163.3	124.5	82.1	-121.1	34.9	0	0	0	109	H907	D905-H907 PolarHBondContact O-N 3.06Å
906	E	37.9	Very low	36.6	Very low	159 Å²	159	150.5 Å²	150.5	74%	0.743	73%	0.729	S	S	*	*	S	Bend		-51.7	116	122.3	173.8	-179	-116.7	0	0	105.4	M908	E906-M908 PolarHBondContact O-N 3.48Å
907	H	48.7	Very low	36.7	Very low	170 Å²	170	152.1 Å²	152.1	79%	0.787	73%	0.728	S	S	*	*	S	Bend	trans	-76.1	53.1	-159.2	-149.7	-58.7	0	0	0	114.2	D905	D905-H907 PolarHBondContact O-N 3.06Å
908	M	33.3	Very low	36.9	Very low	147 Å²	147	147.8 Å²	147.8	72%	0.724	72%	0.723	S	S	*	*			trans	-151.2	112.4	171.9	-88.8	-59.8	-173.5	0	0	111	E906 Y910	E906-M908 PolarHBondContact O-N 3.48Å; M908-Y910 VanDerWaalsContact C-N 3.34Å; M908-Y910 PolarHBondContact O-N 3.23Å
909	R	35.8	Very low	36.9	Very low	221 Å²	221	146.6 Å²	146.6	83%	0.834	71%	0.712	S	S	*	*			trans	-50.6	102.8	140.2	-65.2	175.2	178.9	-179.8	-0.4	108.9
910	Y	38.8	Very low	36.5	Very low	214 Å²	214	143.7 Å²	143.7	84%	0.839	71%	0.706	S	S	*	*	S	Bend		-170.2	89.7	117.4	-97.6	-67.5	0	0	0	112.4	M908	M908-Y910 VanDerWaalsContact C-N 3.34Å; M908-Y910 PolarHBondContact O-N 3.23Å
911	R	31.5	Very low	35.9	Very low	222 Å²	222	143 Å²	143	84%	0.838	70%	0.7	S	S	*	*			trans	72.5	97	137.1	-167.3	-165.8	-155	174.1	7.2	117.7
912	K	36.6	Very low	35.5	Very low	186 Å²	186	145.3 Å²	145.3	81%	0.809	71%	0.707	S	S	*	*			trans	84.9	163.5	169.2	-53.8	172.4	172.7	-179	0	115.4
913	Q	42.7	Very low	35	Very low	163 Å²	163	148.7 Å²	148.7	76%	0.762	71%	0.709	S	S	*	*			trans	80.6	126.8	158.4	-77.5	-173	-11.9	0	0	114.8
914	V	40.7	Very low	35.1	Very low	91 Å²	91	150 Å²	150	55%	0.552	72%	0.716	S	S	*	*				77.2	90.6	98.9	169.5	0	0	0	0	109.7
915	R	38	Very low	35	Very low	212 Å²	212	154 Å²	154	80%	0.8	72%	0.721	S	S	*	*				173.7	164.2	67.3	-93.8	160.1	-172.7	149.7	5.4	108.1
916	N	35.2	Very low	34.7	Very low	119 Å²	119	154.1 Å²	154.1	64%	0.636	73%	0.726	S	S	*	*			cis	-170.5	160.4	-9	-116	7.2	0	0	0	110.1
917	I	35.5	Very low	34.5	Very low	135 Å²	135	151.3 Å²	151.3	69%	0.692	72%	0.716	S	S	*	*			trans	49.4	137.2	132.1	-62.8	177.1	0	0	0	119.6
918	T	36.2	Very low	34	Very low	96 Å²	96	147.3 Å²	147.3	59%	0.589	70%	0.7	S	S	*	*			cis	-152.7	176.9	-10.9	32.9	0	0	0	0	106.1
919	D	30.4	Very low	33.9	Very low	103 Å²	103	143.8 Å²	143.8	55%	0.551	68%	0.684	S	S	*	*			cis	56.3	154.2	45.4	-25.2	-71.6	0	0	0	110.7	R897	R897-D919 IonicContact NH2-OD1 3.49Å; R897-D919 IonicContact NH2-OD2 2.7Å
920	D	31.3	Very low	33.9	Very low	131 Å²	131	138.3 Å²	138.3	70%	0.701	67%	0.671	S	S	*	*			cis	-143.9	161	15.4	-114.5	-60.4	0	0	0	109.5
921	S	28.5	Very low	33.6	Very low	88 Å²	88	134.3 Å²	134.3	62%	0.615	66%	0.664	S	S	*	*				37.7	128.6	90.5	102.4	0	0	0	0	115.6
922	C	25.8	Very low	33.7	Very low	104 Å²	104	129.2 Å²	129.2	70%	0.703	66%	0.663	S	S	*	*	S	Bend		61.3	128.5	91.5	-150.7	0	0	0	0	113.6
923	W	27.1	Very low	33.9	Very low	237 Å²	237	125.7 Å²	125.7	90%	0.898	66%	0.661	S	S	*	*			trans	80.3	152.1	-177.6	-60.6	82.5	0	0	0	118.1
924	T	32.2	Very low	33.7	Very low	116 Å²	116	123 Å²	123	71%	0.712	66%	0.658	S	S	*	*			trans	-45.1	151.8	170.7	51.3	0	0	0	0	114
925	R	29.3	Very low	33.4	Very low	220 Å²	220	123.8 Å²	123.8	83%	0.83	67%	0.668	S	S	*	*			cis	-165.5	163	34.8	-145.2	168.4	174.4	172.7	-5.2	112.1
926	T	34.3	Very low	33.4	Very low	102 Å²	102	119.3 Å²	119.3	63%	0.626	66%	0.664	S	S	*	*			trans	63.8	102	162.5	40.2	0	0	0	0	120.1
927	D	33.1	Very low	33.2	Very low	100 Å²	100	121.1 Å²	121.1	54%	0.535	67%	0.673	S	S	.	*				84.8	98.2	127.3	-46.6	-23.9	0	0	0	123.5
928	L	36.8	Very low	33	Very low	87 Å²	87	119 Å²	119	46%	0.455	67%	0.67	S	S	.	*			trans	77.2	116.4	132.5	-75.9	163.4	0	0	0	125.9	N1699 Y1700	L928-N1699 WeakPolarHBondContact CD1-OD1 3.47Å; L928-Y1700 HydrophobicContact CD2-CG 4.38Å; L928-Y1700 HydrophobicContact CG-CG 4.41Å
929	D	32.8	Very low	32.9	Very low	73 Å²	73	119 Å²	119	39%	0.39	67%	0.673	S	S	.	*			trans	78.4	145.9	135.7	-77.4	-24.2	0	0	0	126.5	Q1698	D929-Q1698 WeakPolarHBondContact OD1-CA 3.49Å; D929-Q1698 WeakPolarHBondContact OD2-CA 3.34Å; D929-Q1698 WeakPolarHBondContact OD2-CB 3.03Å; D929-Q1698 VanDerWaalsContact OD2-CD 3.31Å; D929-Q1698 WeakPolarHBondContact OD2-CG 3.22Å
930	N	34.6	Very low	33	Very low	106 Å²	106	121.7 Å²	121.7	57%	0.567	68%	0.683	S	S	*	*			trans	91.2	113.1	156.5	-67.2	-19.4	0	0	0	124.4	Q1698	N930-Q1698 PolarHBondContact OD1-NE2 3.27Å
931	N	32.4	Very low	33.2	Very low	129 Å²	129	120.3 Å²	120.3	69%	0.69	68%	0.684	S	S	*	*				58.7	116.9	126.6	-66.8	-17.9	0	0	0	126.1
932	S	33.5	Very low	33.4	Very low	115 Å²	115	125 Å²	125	80%	0.804	70%	0.696	S	S	*	*				72.5	158.9	116	-57.3	0	0	0	0	124.8
933	S	40.6	Very low	33.6	Very low	112 Å²	112	127.3 Å²	127.3	78%	0.783	70%	0.701	S	S	*	*			trans	-77.4	160.2	-167.2	-32.1	0	0	0	0	118.3
934	P	38.8	Very low	33.9	Very low	107 Å²	107	123.3 Å²	123.3	70%	0.695	70%	0.697	S	S	*	*			trans	-91.6	151.4	156.1	35.9	-30.7	0	0	0	112.1
935	S	34.4	Very low	33.8	Very low	108 Å²	108	126.3 Å²	126.3	76%	0.755	70%	0.703	S	S	*	*			cis	76.9	159.1	33.9	88.4	0	0	0	0	113
936	V	38.1	Very low	33.8	Very low	117 Å²	117	121.9 Å²	121.9	71%	0.709	70%	0.704	S	S	*	*			cis	-150.2	150.2	42.9	-146	0	0	0	0	110.2
937	L	31.8	Very low	33.7	Very low	158 Å²	158	120.3 Å²	120.3	83%	0.827	71%	0.709	S	S	*	*				169.3	147.1	96.2	-88.1	179.7	0	0	0	107.7
938	S	31.3	Very low	33.7	Very low	91 Å²	91	122.1 Å²	122.1	64%	0.636	72%	0.723	S	S	*	*			cis	-146.9	166.2	5.3	-69.2	0	0	0	0	111.6
939	S	33.2	Very low	33.6	Very low	94 Å²	94	124.8 Å²	124.8	66%	0.657	74%	0.737	S	S	*	*			trans	67.3	139.4	159.5	-60.2	0	0	0	0	117.9
940	E	33.5	Very low	33.7	Very low	160 Å²	160	125.6 Å²	125.6	75%	0.748	75%	0.748	S	S	*	*			cis	-156.8	129.3	-8.7	-106.6	134.7	-138.7	0	0	104.8
941	S	34.4	Very low	33.8	Very low	103 Å²	103	126.6 Å²	126.6	72%	0.72	75%	0.754	S	S	*	*				54.7	134.9	89.7	75.6	0	0	0	0	114.4
942	E	33.7	Very low	34.2	Very low	186 Å²	186	126 Å²	126	87%	0.869	76%	0.755	S	S	*	*			cis	-139.7	-173.6	16.1	-67.1	-178.1	116.7	0	0	112.8
943	N	30.4	Very low	34.5	Very low	152 Å²	152	126.9 Å²	126.9	81%	0.813	75%	0.746	S	S	*	*			trans	-118	154	176	-64.4	-66.7	0	0	0	111.7
944	N	31.6	Very low	34.3	Very low	153 Å²	153	129.2 Å²	129.2	82%	0.818	75%	0.745	S	S	*	*			trans	65.4	169	175	-54	-16.7	0	0	0	113.2
945	E	30.8	Very low	34.3	Very low	180 Å²	180	127.2 Å²	127.2	84%	0.841	74%	0.744	S	S	*	*			cis	-141	-165.7	7.7	-151.8	171.9	148	0	0	111.7	G947	E945-G947 PolarHBondContact O-N 3.25Å
946	C	29.7	Very low	34.3	Very low	126 Å²	126	130.2 Å²	130.2	85%	0.851	75%	0.751	S	S	*	*			trans	-78.8	106.7	-169.5	-64.8	0	0	0	0	114.8
947	G	32.7	Very low	34.1	Very low	70 Å²	70	127.1 Å²	127.1	72%	0.722	74%	0.742	S	S	*	*				76	-170.4	129	0	0	0	0	0	119.8	E945	E945-G947 PolarHBondContact O-N 3.25Å
948	V	33.3	Very low	34.3	Very low	137 Å²	137	126.1 Å²	126.1	83%	0.83	74%	0.743	S	S	*	*			trans	67.4	116.8	170.7	-179.7	0	0	0	0	114.5
949	L	34.4	Very low	34.4	Very low	143 Å²	143	130.3 Å²	130.3	75%	0.749	75%	0.753	S	S	*	*			cis	-158.8	171.6	3.5	-125	175.9	0	0	0	110.3
950	S	35	Very low	34.8	Very low	90 Å²	90	132.3 Å²	132.3	63%	0.629	76%	0.756	S	S	*	*			trans	72.8	138.1	158.3	-64.8	0	0	0	0	119.3
951	D	36.9	Very low	35.3	Very low	127 Å²	127	129.2 Å²	129.2	68%	0.679	74%	0.744	S	S	*	*			cis	-169	165.5	-15.4	-115	-43.8	0	0	0	111.7
952	V	40.4	Very low	35.7	Very low	118 Å²	118	129.5 Å²	129.5	72%	0.715	73%	0.733	S	S	*	*			trans	60.9	122.8	148.8	168.6	0	0	0	0	116.4
953	Q	38.8	Very low	35.6	Very low	133 Å²	133	129.7 Å²	129.7	62%	0.621	73%	0.726	S	S	*	*			cis	-162.2	166.8	18.3	-155.1	52.9	10.8	0	0	108.4
954	E	37.2	Very low	36	Very low	161 Å²	161	127.3 Å²	127.3	75%	0.752	71%	0.706	S	S	*	*			cis	-109.3	-138.1	-1.1	-151.5	98.6	-121.7	0	0	108.3
955	G	38.3	Very low	36.2	Very low	65 Å²	65	125.9 Å²	125.9	67%	0.67	70%	0.698	S	S	*	*			cis	103.3	129.9	6.6	0	0	0	0	0	114.1
956	D	34.9	Very low	37.2	Very low	171 Å²	171	125.1 Å²	125.1	91%	0.914	69%	0.688	S	S	*	*			cis	-145	163.9	-11.4	-156.9	0.7	0	0	0	111.4
957	G	33	Very low	37.7	Very low	51 Å²	51	125.4 Å²	125.4	53%	0.526	68%	0.675	S	S	.	*			trans	-144	-146.1	-167.7	0	0	0	0	0	116
958	T	36.2	Very low	37.7	Very low	137 Å²	137	126.4 Å²	126.4	84%	0.84	66%	0.661	S	S	*	*			trans	71.1	158.9	-178.7	74.3	0	0	0	0	117.2
959	E	34.9	Very low	37.8	Very low	179 Å²	179	124.7 Å²	124.7	84%	0.836	65%	0.65	S	S	*	*				-158.1	-168.7	-56.8	-125	173.9	-150.8	0	0	109.9
960	D	40.9	Very low	37.5	Very low	137 Å²	137	124.9 Å²	124.9	73%	0.733	65%	0.647	S	S	*	*			trans	68.2	145.5	-179.8	-79.1	-28.5	0	0	0	117.1
961	D	42.9	Very low	37.7	Very low	94 Å²	94	126 Å²	126	50%	0.503	66%	0.655	S	S	.	*			cis	-149.3	152.4	6.4	-150.7	-1.9	0	0	0	116.3
962	K	43.3	Very low	37.8	Very low	110 Å²	110	123.4 Å²	123.4	48%	0.478	66%	0.659	S	S	.	*			trans	30.9	135	152.9	-77.9	157.1	-155.8	86.2	0	120.7	Y964	K962-Y964 HydrophobicContact CD-CE1 4.49Å; K962-Y964 HydrophobicContact CG-CD1 4.17Å; K962-Y964 HydrophobicContact CG-CE1 3.54Å; K962-Y964 HydrophobicContact CG-CE2 4.29Å
963	R	32.7	Very low	37.7	Very low	190 Å²	190	124.8 Å²	124.8	72%	0.717	66%	0.655	S	S	*	*			cis	-133.9	126.5	6.8	-77.4	-160	177.5	-161.1	-1.5	110.8	F967 H968	R963-F967 WeakPolarHBondContact O-CE2 3.41Å; R963-H968 VanDerWaalsContact C-NE2 3.32Å; R963-H968 PolarHBondContact N-NE2 2.85Å; R963-H968 PolarHBondContact O-CE1 3.4Å; R963-H968 PolarHBondContact O-NE2 3.16Å
964	Y	38.9	Very low	37.4	Very low	102 Å²	102	127.8 Å²	127.8	40%	0.4	67%	0.666	S	S	.	*				58	114.1	78.6	-51.2	170.9	0	0	0	111.5	K962 R966 F967	K962-Y964 HydrophobicContact CD-CE1 4.49Å; K962-Y964 HydrophobicContact CG-CD1 4.17Å; K962-Y964 HydrophobicContact CG-CE1 3.54Å; K962-Y964 HydrophobicContact CG-CE2 4.29Å; Y964-R966 VanDerWaalsContact CD1-NH1 3.32Å; Y964-R966 HydrophobicContact CD2-CG 4.3Å; Y964-R966 VanDerWaalsContact CG-NH1 3.25Å; Y964-F967 VanDerWaalsContact C-CD2 3.43Å; Y964-F967 VanDerWaalsContact CA-CD2 3.5Å
965	N	34.1	Very low	36.9	Very low	123 Å²	123	131.8 Å²	131.8	66%	0.658	67%	0.674	S	S	*	*	S	Bend	cis	-133.6	128.3	20.9	-176.8	96.7	0	0	0	115	F967	N965-F967 VanDerWaalsContact N-CD2 3.28Å
966	R	51.7	Low	36.4	Very low	164 Å²	164	133.1 Å²	133.1	62%	0.619	67%	0.673	S	S	*	*	S	Bend	cis	-160.9	135.3	-21.9	-134.6	155.4	-58	-136.9	5.8	112.4	Y964	Y964-R966 VanDerWaalsContact CD1-NH1 3.32Å; Y964-R966 HydrophobicContact CD2-CG 4.3Å; Y964-R966 VanDerWaalsContact CG-NH1 3.25Å
967	F	41.1	Very low	36.2	Very low	132 Å²	132	133.3 Å²	133.3	58%	0.579	67%	0.669	S	S	*	*				-170.1	175.1	-68.1	-102.3	-51.5	0	0	0	108	R963 Y964 N965	R963-F967 WeakPolarHBondContact O-CE2 3.41Å; Y964-F967 VanDerWaalsContact C-CD2 3.43Å; Y964-F967 VanDerWaalsContact CA-CD2 3.5Å; N965-F967 VanDerWaalsContact N-CD2 3.28Å
968	H	33.7	Very low	36	Very low	91 Å²	91	138.3 Å²	138.3	42%	0.421	68%	0.678	S	S	.	*			cis	-142.1	172.8	19	-134.1	-26.1	0	0	0	115.9	R963	R963-H968 VanDerWaalsContact C-NE2 3.32Å; R963-H968 PolarHBondContact N-NE2 2.85Å; R963-H968 PolarHBondContact O-CE1 3.4Å; R963-H968 PolarHBondContact O-NE2 3.16Å
969	T	33.9	Very low	35.6	Very low	100 Å²	100	138.4 Å²	138.4	61%	0.613	67%	0.673	S	S	*	*			trans	57.2	128.6	159.3	47.8	0	0	0	0	117.7
970	E	29	Very low	35.2	Very low	148 Å²	148	134.2 Å²	134.2	69%	0.692	66%	0.663	S	S	*	*			cis	53.8	59.1	13.5	-78.9	-146.8	170.2	0	0	116.1	K973	E970-K973 VanDerWaalsContact CD-CE 3.43Å; E970-K973 WeakPolarHBondContact OE1-CE 3.4Å; E970-K973 IonicContact OE1-NZ 2.72Å; E970-K973 PolarHBondContact OE1-NZ 3.24Å; E970-K973 WeakPolarHBondContact OE2-CE 3.38Å; E970-K973 IonicContact OE2-NZ 3.73Å; E970-K973 PolarHBondContact OE2-NZ 3.25Å
971	S	38.7	Very low	34.9	Very low	112 Å²	112	136.3 Å²	136.3	78%	0.783	67%	0.666	S	S	*	*			trans	-139.5	119.6	143.8	63.2	0	0	0	0	109.9
972	G	39.5	Very low	34.2	Very low	74 Å²	74	140.4 Å²	140.4	76%	0.763	68%	0.679	S	S	*	*			cis	-153	124	2.6	0	0	0	0	0	113.2
973	K	37.4	Very low	33.7	Very low	146 Å²	146	140.6 Å²	140.6	64%	0.635	70%	0.695	S	S	*	*			trans	-33.4	127.3	165.2	-74.6	159.7	167.9	162	0	114.7	E970	E970-K973 VanDerWaalsContact CD-CE 3.43Å; E970-K973 WeakPolarHBondContact OE1-CE 3.4Å; E970-K973 IonicContact OE1-NZ 2.72Å; E970-K973 PolarHBondContact OE1-NZ 3.24Å; E970-K973 WeakPolarHBondContact OE2-CE 3.38Å; E970-K973 IonicContact OE2-NZ 3.73Å; E970-K973 PolarHBondContact OE2-NZ 3.25Å
974	K	33.2	Very low	33.4	Very low	197 Å²	197	140.3 Å²	140.3	86%	0.857	70%	0.701	S	S	*	*				39.7	138.2	110.2	-63	176.7	174.5	173.7	0	118.1
975	R	27.1	Very low	33.3	Very low	245 Å²	245	140 Å²	140	93%	0.925	71%	0.712	S	S	*	*			trans	78.1	75.9	144.2	-164.6	-162.5	-169.2	-175.7	4	116.7
976	S	28.1	Very low	33	Very low	93 Å²	93	140.7 Å²	140.7	65%	0.65	72%	0.715	S	S	*	*				-152.5	138.7	128.6	-151.8	0	0	0	0	113
977	Q	29.1	Very low	32.1	Very low	175 Å²	175	141 Å²	141	82%	0.818	72%	0.724	S	S	*	*			trans	45	158.8	139.7	-67.4	168.5	0.9	0	0	123.9
978	H	28.9	Very low	31.7	Very low	156 Å²	156	139.5 Å²	139.5	72%	0.722	74%	0.736	S	S	*	*			trans	80.5	89.3	149.1	-118.4	-86.9	0	0	0	121.3
979	L	27.8	Very low	31.8	Very low	138 Å²	138	138.9 Å²	138.9	72%	0.723	76%	0.755	S	S	*	*				16.8	134.7	124.5	-80.9	69	0	0	0	119.5
980	S	28	Very low	31.8	Very low	92 Å²	92	141.1 Å²	141.1	64%	0.643	77%	0.767	S	S	*	*			trans	76.3	154	144.5	80.3	0	0	0	0	116.1
981	K	33.9	Very low	32	Very low	180 Å²	180	138.3 Å²	138.3	78%	0.783	77%	0.765	S	S	*	*			cis	-137.3	151.2	23.1	-66	173	-177.8	172.5	0	114.2
982	F	27.2	Very low	31.9	Very low	180 Å²	180	139.1 Å²	139.1	79%	0.789	76%	0.76	S	S	*	*			trans	5.5	137.9	139.8	-62	-98.6	0	0	0	118.8
983	S	34	Very low	31.8	Very low	115 Å²	115	142.2 Å²	142.2	80%	0.804	76%	0.759	S	S	*	*				-169.8	144.1	92.2	-73.1	0	0	0	0	113.9
984	H	26.1	Very low	31.7	Very low	184 Å²	184	144.5 Å²	144.5	85%	0.852	77%	0.769	S	S	*	*			trans	-81.8	-177.4	155.4	-68.3	-76.7	0	0	0	108.5
985	P	37.2	Very low	31.8	Very low	96 Å²	96	140.8 Å²	140.8	62%	0.623	76%	0.759	S	S	*	*			cis	-141.8	-171.6	7.3	44.9	-26.8	0	0	0	116
986	N	27.4	Very low	32.4	Very low	136 Å²	136	136.7 Å²	136.7	73%	0.727	75%	0.747	S	S	*	*			trans	66.2	156.2	153	-63.4	-18	0	0	0	117.3
987	Q	32.4	Very low	32.7	Very low	170 Å²	170	138.9 Å²	138.9	79%	0.794	75%	0.752	S	S	*	*			cis	-159.4	171.2	12.1	-141.1	165.1	55.4	0	0	111.7
988	A	33.5	Very low	33.1	Very low	101 Å²	101	139.7 Å²	139.7	84%	0.835	75%	0.753	S	S	*	*			trans	57.6	120.2	156.7	0	0	0	0	0	120.4
989	G	35.7	Very low	33.5	Very low	79 Å²	79	136.6 Å²	136.6	81%	0.814	75%	0.748	S	S	*	*			trans	-179	49.1	179.6	0	0	0	0	0	115
990	V	33.4	Very low	33.6	Very low	146 Å²	146	134.5 Å²	134.5	89%	0.885	74%	0.738	S	S	*	*			trans	-51.9	141.6	175.6	171.8	0	0	0	0	111.3
991	S	33.6	Very low	33.9	Very low	90 Å²	90	134.6 Å²	134.6	63%	0.629	74%	0.738	S	S	*	*			cis	-149	-179.1	14.3	58	0	0	0	0	115.2
992	D	36.4	Very low	33.8	Very low	128 Å²	128	129.2 Å²	129.2	68%	0.684	72%	0.721	S	S	*	*			trans	77.5	94.1	147.3	-66.1	-52.1	0	0	0	122.1
993	N	37	Very low	34.1	Very low	140 Å²	140	124.1 Å²	124.1	75%	0.749	71%	0.707	S	S	*	*				72.3	73.3	127.2	-71.7	-54.9	0	0	0	119.2
994	K	35.1	Very low	33.8	Very low	193 Å²	193	125.1 Å²	125.1	84%	0.839	69%	0.694	S	S	*	*			trans	51.2	101.8	143.6	-72.7	-169.7	174.6	-177.9	0	117.3
995	D	36.3	Very low	34.1	Very low	120 Å²	120	122.4 Å²	122.4	64%	0.642	69%	0.686	S	S	*	*			trans	-29.9	127.1	155.2	-65.7	-71.2	0	0	0	114.7
996	K	38.5	Very low	33.7	Very low	158 Å²	158	127.4 Å²	127.4	69%	0.687	69%	0.692	S	S	*	*				69.3	124.7	63.8	-66.6	-176.9	-147.6	99.5	0	113.1
997	N	35.1	Very low	33.8	Very low	139 Å²	139	131.9 Å²	131.9	74%	0.743	70%	0.699	S	S	*	*			trans	62.8	134.3	140.3	-53.5	-15.8	0	0	0	117.9
998	K	38.2	Very low	33.8	Very low	193 Å²	193	127.6 Å²	127.6	84%	0.839	70%	0.7	S	S	*	*			cis	-132.6	120.6	31.5	-72.6	172.2	-177	174.5	0	113.1
999	S	36.7	Very low	33.8	Very low	90 Å²	90	134 Å²	134	63%	0.629	70%	0.703	S	S	*	*				21.9	118	122.3	58.3	0	0	0	0	117
1000	L	29.1	Very low	33.6	Very low	95 Å²	95	142.4 Å²	142.4	50%	0.497	71%	0.71	S	S	.	*				56.7	98.6	68.2	-61.5	175.9	0	0	0	113.6	T1002	L1000-T1002 HydrophobicContact CD2-CG2 4.36Å
1001	S	35.3	Very low	33.5	Very low	93 Å²	93	139.1 Å²	139.1	65%	0.65	71%	0.706	S	S	*	*			trans	166.2	47.1	160.9	-73.6	0	0	0	0	108.4	K1614	S1001-K1614 CarbonylContact C-O 3.59Å; S1001-K1614 WeakPolarHBondContact CA-O 3.47Å; S1001-K1614 WeakPolarHBondContact CB-O 3.13Å
1002	T	32.4	Very low	33.5	Very low	68 Å²	68	146.5 Å²	146.5	42%	0.417	72%	0.719	S	S	.	*				54	172.9	77.3	52.9	0	0	0	0	114.5	L1000 S1612 D1613 K1614 F1615	L1000-T1002 HydrophobicContact CD2-CG2 4.36Å; T1002-S1612 WeakPolarHBondContact CB-O 3.49Å; T1002-S1612 WeakPolarHBondContact CG2-O 3.34Å; T1002-S1612 VanDerWaalsContact OG1-C 3.25Å; T1002-S1612 PolarHBondContact OG1-O 3.39Å; T1002-D1613 PolarHBondContact OG1-N 2.9Å; T1002-K1614 CarbonylContact O-C 3.45Å; T1002-K1614 PolarHBondContact OG1-N 2.92Å; T1002-F1615 PolarHBondContact O-N 2.78Å
1003	S	32.7	Very low	33.2	Very low	72 Å²	72	147 Å²	147	50%	0.503	73%	0.727	S	S	.	*			trans	-164.8	153.1	179.2	-82.7	0	0	0	0	114.8	D1613 F1615 S1616	S1003-D1613 CarbonylContact C-O 3.13Å; S1003-D1613 WeakPolarHBondContact CA-O 3.31Å; S1003-D1613 PolarHBondContact N-O 3.29Å; S1003-F1615 WeakPolarHBondContact OG-CA 3.2Å; S1003-F1615 PolarHBondContact OG-N 3.42Å; S1003-S1616 PolarHBondContact OG-N 2.67Å
1004	Y	28.8	Very low	33	Very low	137 Å²	137	143.1 Å²	143.1	54%	0.537	72%	0.72	S	S	.	*			trans	-139.9	156.3	-167.6	-113.2	-123.5	0	0	0	114.5	D1613	Y1004-D1613 HydrophobicContact CD2-CB 4.32Å; Y1004-D1613 WeakPolarHBondContact CD2-O 3.27Å; Y1004-D1613 HydrophobicContact CE2-CB 4.31Å; Y1004-D1613 PolarHBondContact N-O 3.49Å
1005	N	31.6	Very low	32.8	Very low	126 Å²	126	139.9 Å²	139.9	67%	0.674	72%	0.717	S	S	*	*			trans	70.7	85.5	156.5	-78.4	-33.2	0	0	0	123.5
1006	R	28.7	Very low	32.4	Very low	202 Å²	202	140.8 Å²	140.8	76%	0.762	72%	0.722	S	S	*	*				48.3	130.8	104.6	-74.4	-178	168.5	-178	0.1	122
1007	R	29.1	Very low	32.1	Very low	230 Å²	230	137.2 Å²	137.2	87%	0.868	72%	0.716	S	S	*	*			trans	69.6	112.4	146.3	-65.7	175.2	-180	-177.1	0.5	118.6
1008	G	32.1	Very low	31.9	Very low	79 Å²	79	137.3 Å²	137.3	81%	0.814	71%	0.712	S	S	*	*			trans	-168.9	42.9	175	0	0	0	0	0	118.4
1009	R	33.1	Very low	31.6	Very low	237 Å²	237	135.7 Å²	135.7	89%	0.894	71%	0.705	S	S	*	*			trans	-6.3	119.4	172.6	-72.7	177	163.8	178.7	-6.2	118.4
1010	R	31.8	Very low	31.5	Very low	255 Å²	255	137.3 Å²	137.3	96%	0.962	71%	0.711	S	S	*	*				169.4	138.5	115.8	-91.5	169.8	-161.9	-115.5	5.4	109.7
1011	G	31.4	Very low	31.6	Very low	77 Å²	77	137 Å²	137	79%	0.794	72%	0.718	S	S	*	*			trans	-111.4	-155.3	-177	0	0	0	0	0	115.3
1012	R	33.2	Very low	31.3	Very low	244 Å²	244	137.4 Å²	137.4	92%	0.921	72%	0.72	S	S	*	*			trans	79.9	129.7	175	-98.1	-175.3	-170.6	-132	0.3	119.1
1013	V	31.3	Very low	31.1	Very low	138 Å²	138	144.9 Å²	144.9	84%	0.836	74%	0.741	S	S	*	*			trans	62.6	116.9	169	-164.1	0	0	0	0	114.8
1014	G	32.1	Very low	30.8	Very low	59 Å²	59	145.6 Å²	145.6	61%	0.608	75%	0.746	S	S	*	*			cis	134.7	139.4	3.3	0	0	0	0	0	111.3
1015	T	30.7	Very low	30.9	Very low	125 Å²	125	148.6 Å²	148.6	77%	0.767	76%	0.758	S	S	*	*			trans	60	118.7	166.5	57.3	0	0	0	0	118.7
1016	N	29.2	Very low	30.7	Very low	140 Å²	140	147.8 Å²	147.8	75%	0.749	76%	0.757	S	S	*	*				98	127.6	121.7	-78	3.4	0	0	0	121
1017	S	31	Very low	30.9	Very low	82 Å²	82	143.1 Å²	143.1	57%	0.573	75%	0.751	S	S	*	*				86.1	158	127.3	77.2	0	0	0	0	118.4
1018	H	32.5	Very low	31	Very low	142 Å²	142	138.5 Å²	138.5	66%	0.657	74%	0.744	S	S	*	*			cis	-113.3	144	0.4	-95.8	-73	0	0	0	110
1019	F	30.2	Very low	30.7	Very low	158 Å²	158	140.9 Å²	140.9	69%	0.693	74%	0.738	S	S	*	*				52.5	145.5	90.5	-56.4	-161.6	0	0	0	112.2
1020	T	34.5	Very low	30.4	Very low	124 Å²	124	136.4 Å²	136.4	76%	0.761	73%	0.725	S	S	*	*			cis	-159.3	163.8	46.9	43	0	0	0	0	108.7
1021	S	31.2	Very low	30.3	Very low	90 Å²	90	127.1 Å²	127.1	63%	0.629	70%	0.699	S	S	*	*			cis	-151.6	149.8	-6.2	-119.1	0	0	0	0	108
1022	S	30.8	Very low	30.2	Very low	101 Å²	101	127.3 Å²	127.3	71%	0.706	69%	0.689	S	S	*	*				54.7	129	92.8	-37	0	0	0	0	114.4
1023	R	27.6	Very low	29.8	Very low	225 Å²	225	120.2 Å²	120.2	85%	0.849	66%	0.662	S	S	*	*			cis	-166	148	6.5	-139.7	-179.9	-178.4	174.6	-2.7	112
1024	S	25.8	Very low	29.7	Very low	86 Å²	86	115.8 Å²	115.8	60%	0.601	64%	0.638	S	S	*	*			trans	35.4	118	144.6	59	0	0	0	0	121
1025	Y	31.6	Very low	29.6	Very low	201 Å²	201	118 Å²	118	79%	0.788	63%	0.63	S	S	*	*				-161.2	117.9	127.7	-98.1	-74.4	0	0	0	105.5
1026	T	26	Very low	30.1	Very low	108 Å²	108	122.2 Å²	122.2	66%	0.663	63%	0.632	S	S	*	*				64.2	166.5	106.3	63.8	0	0	0	0	116
1027	T	34.2	Very low	30.3	Very low	105 Å²	105	123.7 Å²	123.7	64%	0.644	63%	0.628	S	S	*	*			trans	59.6	101.3	169.5	44.3	0	0	0	0	115.4
1028	D	30.9	Very low	30.2	Very low	132 Å²	132	124.9 Å²	124.9	71%	0.706	64%	0.637	S	S	*	*				68	132.1	122.7	-43.2	-21.2	0	0	0	118.7
1029	D	26	Very low	30.3	Very low	129 Å²	129	126.8 Å²	126.8	69%	0.69	64%	0.643	S	S	*	*				12.9	115.3	111.3	-44.9	-23.3	0	0	0	113.2
1030	F	27.3	Very low	30.6	Very low	144 Å²	144	122.8 Å²	122.8	63%	0.632	65%	0.646	S	S	*	*				-160	172.3	63.8	-104.4	-71	0	0	0	115.1	D1567	F1030-D1567 HydrophobicContact CD1-CB 3.5Å; F1030-D1567 VanDerWaalsContact CD1-CB 3.5Å; F1030-D1567 WeakPolarHBondContact CD1-OD2 3.19Å; F1030-D1567 HydrophobicContact CE1-CB 3.74Å; F1030-D1567 WeakPolarHBondContact CE1-OD2 3.48Å
1031	S	28.6	Very low	30.7	Very low	59 Å²	59	121.1 Å²	121.1	41%	0.413	64%	0.64	S	S	.	*			trans	59.1	105.7	153.4	65.6	0	0	0	0	115	Y1033 M1568	S1031-Y1033 PolarHBondContact O-N 3.45Å; S1031-M1568 WeakPolarHBondContact CB-O 3.43Å
1032	S	29.4	Very low	30.9	Very low	82 Å²	82	123.3 Å²	123.3	57%	0.573	64%	0.64	S	S	*	*				-20.5	104.8	122.9	36.5	0	0	0	0	112.3	M1568 S1569	S1032-M1568 CarbonylContact O-C 2.89Å; S1032-M1568 PolarHBondContact OG-O 3.33Å; S1032-M1568 VanDerWaalsContact OG-O 3.12Å; S1032-S1569 CarbonylContact O-C 3.31Å; S1032-S1569 PolarHBondContact O-N 2.93Å; S1032-S1569 PolarHBondContact OG-N 3.42Å
1033	Y	25.3	Very low	31.2	Very low	95 Å²	95	124.2 Å²	124.2	37%	0.373	63%	0.633	S	S	.	*			trans	-143.9	128.9	153.2	-122.4	-33.2	0	0	0	113.3	S1031 S1569 I1571 P1572 P1573	S1031-Y1033 PolarHBondContact O-N 3.45Å; Y1033-S1569 WeakPolarHBondContact CD1-O 3.43Å; Y1033-S1569 WeakPolarHBondContact CE1-O 3.47Å; Y1033-S1569 WeakPolarHBondContact CE2-OG 3.44Å; Y1033-S1569 VanDerWaalsContact OH-CB 3.3Å; Y1033-S1569 WeakPolarHBondContact OH-CB 3.09Å; Y1033-S1569 PolarHBondContact OH-OG 2.77Å; Y1033-I1571 PolarHBondContact OH-O 2.93Å; Y1033-P1572 HydrophobicContact CD1-CB 4.12Å; Y1033-P1572 HydrophobicContact CD1-CG 4.25Å; Y1033-P1572 HydrophobicContact CE1-CB 3.62Å; Y1033-P1572 HydrophobicContact CE1-CG 3.92Å; Y1033-P1572 WeakPolarHBondContact OH-CA 3.32Å; Y1033-P1573 VanDerWaalsContact OH-CD 3.24Å; Y1033-P1573 WeakPolarHBondContact OH-CD 3.28Å
1034	S	29.3	Very low	31.5	Very low	45 Å²	45	118.3 Å²	118.3	32%	0.315	62%	0.618	S	S	.	*			trans	74.3	138.6	136.9	-87.4	0	0	0	0	118.8	P1572	S1034-P1572 WeakPolarHBondContact OG-CB 3.07Å; S1034-P1572 VanDerWaalsContact OG-CG 3.25Å; S1034-P1572 WeakPolarHBondContact OG-CG 3.5Å
1035	K	30.3	Very low	31.7	Very low	104 Å²	104	119.1 Å²	119.1	45%	0.452	61%	0.609	S	S	.	*			trans	60.4	113.5	131.1	-61.7	166.9	-166.3	170.3	0	115.9
1036	R	39.8	Very low	31.6	Very low	214 Å²	214	115.6 Å²	115.6	81%	0.808	60%	0.595	S	S	*	*			cis	-147.9	117.3	24.7	-102.8	152.3	-80.9	-141.3	0.1	109.5
1037	Y	34.7	Very low	31.7	Very low	171 Å²	171	118 Å²	118	67%	0.671	59%	0.592	S	S	*	*				80.4	103	86	-99.8	-86.3	0	0	0	111.5	K1039	Y1037-K1039 HydrophobicContact CD1-CD 4.4Å
1038	S	27.4	Very low	31.4	Very low	108 Å²	108	121.1 Å²	121.1	76%	0.755	59%	0.592	S	S	*	*				-5.1	139.4	115.8	-22.2	0	0	0	0	115.9
1039	K	36.6	Very low	31.3	Very low	182 Å²	182	120.8 Å²	120.8	79%	0.791	59%	0.587	S	S	*	*			trans	178.7	120.4	145.4	-100.6	158.3	-176.2	-139	0	108.2	Y1037	Y1037-K1039 HydrophobicContact CD1-CD 4.4Å
1040	G	35.1	Very low	31.4	Very low	73 Å²	73	122.7 Å²	122.7	75%	0.753	59%	0.585	S	S	*	*			cis	78.6	137	-4.4	0	0	0	0	0	114.8
1041	S	37.5	Very low	31.8	Very low	89 Å²	89	127.4 Å²	127.4	62%	0.622	60%	0.6	S	S	*	*			trans	-137.8	117.3	162.7	46.9	0	0	0	0	105.8
1042	E	35.4	Very low	31.8	Very low	136 Å²	136	128.1 Å²	128.1	64%	0.636	62%	0.617	S	S	*	*				78.1	146.5	103.1	-68.6	162.4	165.4	0	0	113.2	R1599	E1042-R1599 VanDerWaalsContact C-NH2 3.33Å; E1042-R1599 PolarHBondContact O-NH1 2.7Å; E1042-R1599 PolarHBondContact O-NH2 3.48Å
1043	Q	36	Very low	32	Very low	121 Å²	121	130.3 Å²	130.3	57%	0.565	63%	0.632	S	S	*	*			cis	-133.8	145.1	-11.7	-113	141.9	19.6	0	0	110.1	R1599	Q1043-R1599 PolarHBondContact O-NH2 3.26Å
1044	D	33.7	Very low	32.3	Very low	100 Å²	100	128.9 Å²	128.9	54%	0.535	65%	0.647	S	S	.	*				47.8	143.2	116	-56.4	17.3	0	0	0	121
1045	Y	29.9	Very low	32.6	Very low	103 Å²	103	132 Å²	132	40%	0.404	67%	0.668	S	S	.	*			cis	-162.1	122.3	-17.4	-112.7	-166.2	0	0	0	109.2	T1595 W1596 A1597 N1598	Y1045-T1595 HydrophobicContact CD1-CG2 3.93Å; Y1045-W1596 VanDerWaalsContact CE1-CA 3.49Å; Y1045-W1596 HydrophobicContact CE1-CB 4.44Å; Y1045-A1597 HydrophobicContact CE2-CB 4.4Å; Y1045-A1597 VanDerWaalsContact CG-CA 3.46Å; Y1045-N1598 HydrophobicContact CD2-CB 3.9Å; Y1045-N1598 VanDerWaalsContact CE2-N 3.28Å
1046	Y	31.1	Very low	32.8	Very low	127 Å²	127	138.5 Å²	138.5	50%	0.498	69%	0.69	S	S	.	*			trans	44.4	163.4	170.4	-94.1	-25.8	0	0	0	127.4	W1596 A1597	Y1046-W1596 VanDerWaalsContact CB-O 3.23Å; Y1046-W1596 WeakPolarHBondContact CB-O 3.2Å; Y1046-W1596 VanDerWaalsContact CD2-C 3.42Å; Y1046-W1596 AromaticContact CD2-CD2 3.93Å; Y1046-W1596 HydrophobicContact CD2-CD2 3.93Å; Y1046-W1596 HydrophobicContact CD2-CE3 4.43Å; Y1046-W1596 AromaticContact CD2-CG 3.95Å; Y1046-W1596 HydrophobicContact CD2-CG 3.95Å; Y1046-W1596 WeakPolarHBondContact CD2-O 3.38Å; Y1046-W1596 AromaticContact CE2-CD2 3.6Å; Y1046-W1596 HydrophobicContact CE2-CD2 3.6Å; Y1046-W1596 AromaticContact CE2-CE2 3.86Å; Y1046-W1596 AromaticContact CE2-CE3 3.69Å; Y1046-W1596 HydrophobicContact CE2-CE3 3.69Å; Y1046-W1596 HydrophobicContact CE2-CG 4.1Å; Y1046-W1596 HydrophobicContact CE2-CH2 4.26Å; Y1046-W1596 HydrophobicContact CE2-CZ2 4.19Å; Y1046-W1596 HydrophobicContact CE2-CZ3 4.02Å; Y1046-A1597 WeakPolarHBondContact CA-O 3.15Å; Y1046-A1597 VanDerWaalsContact CD1-O 3.31Å; Y1046-A1597 WeakPolarHBondContact CD1-O 3.16Å; Y1046-A1597 HydrophobicContact CD2-CB 3.68Å; Y1046-A1597 HydrophobicContact CE1-CB 4.43Å; Y1046-A1597 HydrophobicContact CE2-CB 3.48Å; Y1046-A1597 VanDerWaalsContact CE2-CB 3.48Å; Y1046-A1597 HydrophobicContact CG-CB 4.22Å; Y1046-A1597 VanDerWaalsContact CG-N 3.3Å; Y1046-A1597 VanDerWaalsContact CG-O 3.23Å; Y1046-A1597 PolarHBondContact N-O 2.8Å
1047	W	26.6	Very low	32.4	Very low	159 Å²	159	131.9 Å²	131.9	60%	0.602	69%	0.688	S	S	*	*			trans	108.6	153.8	142.6	-81.4	121.9	0	0	0	118.8	W1596	W1047-W1596 HydrophobicContact CZ2-CZ2 4.13Å; W1047-W1596 AromaticContact NE1-NE1 3.67Å
1048	R	29.1	Very low	32.5	Very low	170 Å²	170	130 Å²	130	64%	0.642	70%	0.695	S	S	*	*			trans	-85.7	174.2	-166.1	-58.4	172.5	-162.4	-171.4	6.5	109.1
1049	Q	29.1	Very low	32.8	Very low	126 Å²	126	135.8 Å²	135.8	59%	0.589	70%	0.7	S	S	*	*			cis	-163.7	163.7	29.8	-149.8	171.8	3.7	0	0	110.8
1050	Y	26.6	Very low	32.6	Very low	168 Å²	168	133.4 Å²	133.4	66%	0.659	70%	0.701	S	S	*	*			trans	45	118.3	168.2	-58.5	-60.9	0	0	0	119.8
1051	Y	36.6	Very low	32.4	Very low	243 Å²	243	133 Å²	133	95%	0.953	70%	0.697	S	S	*	*				-166.4	155.8	104	-97.5	-68.9	0	0	0	108.5
1052	G	29.4	Very low	31.9	Very low	74 Å²	74	138.2 Å²	138.2	76%	0.763	71%	0.711	S	S	*	*			trans	-141.7	136	174.6	0	0	0	0	0	111.8
1053	S	32.5	Very low	31.6	Very low	128 Å²	128	137 Å²	137	90%	0.895	72%	0.718	S	S	*	*			trans	-167.5	127.8	146.8	-166.9	0	0	0	0	112.6
1054	G	31.4	Very low	31.3	Very low	65 Å²	65	134.7 Å²	134.7	67%	0.67	72%	0.719	S	S	*	*			trans	62.2	106.5	134.6	0	0	0	0	0	121.5
1055	S	36.3	Very low	31.1	Very low	110 Å²	110	132.7 Å²	132.7	77%	0.769	72%	0.722	S	S	*	*				-161.8	116.7	106.1	-89.5	0	0	0	0	116.3
1056	R	33.4	Very low	30.9	Very low	241 Å²	241	134.5 Å²	134.5	91%	0.909	74%	0.736	S	S	*	*			trans	58.3	93.5	136.5	-56.6	-177.8	-178.4	-163.6	-0.1	121.2
1057	G	32.7	Very low	30.8	Very low	75 Å²	75	134.1 Å²	134.1	77%	0.773	74%	0.742	S	S	*	*				79.5	158.4	126.3	0	0	0	0	0	119.3
1058	V	36.4	Very low	30.9	Very low	133 Å²	133	129.6 Å²	129.6	81%	0.806	73%	0.729	S	S	*	*			cis	-135.1	117.7	1.5	175.1	0	0	0	0	111.3
1059	R	32.7	Very low	31	Very low	228 Å²	228	121.8 Å²	121.8	86%	0.86	70%	0.7	S	S	*	*			trans	29.1	127.8	145.4	-58.4	-178.3	-177.2	-149.3	-0.2	120.4
1060	T	33.8	Very low	31.1	Very low	132 Å²	132	118.2 Å²	118.2	81%	0.81	68%	0.684	S	S	*	*			cis	-151.3	109.2	-17.2	-56.2	0	0	0	0	106.8
1061	G	30.2	Very low	31.3	Very low	66 Å²	66	114.7 Å²	114.7	68%	0.68	67%	0.67	S	S	*	*			trans	-80.3	158.7	178.8	0	0	0	0	0	113.5	S1063	G1061-S1063 PolarHBondContact O-N 3.21Å
1062	H	26.4	Very low	31.2	Very low	197 Å²	197	108 Å²	108	91%	0.912	65%	0.646	S	S	*	*			trans	-51.5	124.3	172.1	-64.8	-113.9	0	0	0	113.8
1063	S	30.1	Very low	31.4	Very low	111 Å²	111	107.3 Å²	107.3	78%	0.776	63%	0.625	S	S	*	*			trans	-157.3	130.9	149.3	-34.9	0	0	0	0	105.7	G1061	G1061-S1063 PolarHBondContact O-N 3.21Å
1064	A	28.3	Very low	31.3	Very low	73 Å²	73	106.3 Å²	106.3	60%	0.603	61%	0.606	S	S	*	*			cis	61.2	112.4	38.1	0	0	0	0	0	111.7	N1356	A1064-N1356 WeakPolarHBondContact CB-OD1 3.06Å
1065	G	29.6	Very low	31.3	Very low	57 Å²	57	104 Å²	104	59%	0.588	58%	0.579	S	S	*	*			cis	177.4	-166	-5	0	0	0	0	0	110.9
1066	M	26.7	Very low	31.8	Very low	141 Å²	141	102.2 Å²	102.2	70%	0.695	56%	0.561	S	S	*	*			trans	65.3	104.9	167.7	-52.4	-178.1	72.5	0	0	117.7	N1356	M1066-N1356 PolarHBondContact SD-ND2 3.42Å
1067	N	28.1	Very low	32.1	Very low	119 Å²	119	94.2 Å²	94.2	64%	0.636	54%	0.536	S	S	*	.				-143.3	117.9	113.6	-108.9	-23	0	0	0	107
1068	I	28.4	Very low	32.1	Very low	64 Å²	64	96 Å²	96	33%	0.328	53%	0.528	S	S	.	.				55.9	112.5	91	-62.9	-173.7	0	0	0	108.5	R1400 N1409	I1068-R1400 PolarHBondContact O-NE 3.48Å; I1068-R1400 PolarHBondContact O-NH2 2.99Å; I1068-N1409 WeakPolarHBondContact CA-OD1 3.16Å; I1068-N1409 PolarHBondContact N-OD1 3.45Å
1069	D	32.3	Very low	32.2	Very low	6 Å²	6	92.6 Å²	92.6	3%	0.032	51%	0.505	C	S	.	.				-154.3	98.9	57.9	-156.7	15.1	0	0	0	115.9	R1399 R1400 G1408	D1069-R1399 HydrophobicContact CB-CB 4.5Å; D1069-R1399 CarbonylContact O-C 3.21Å; D1069-R1399 WeakPolarHBondContact OD2-CD 3.1Å; D1069-R1399 VanDerWaalsContact OD2-CG 3.27Å; D1069-R1399 WeakPolarHBondContact OD2-CG 3.1Å; D1069-R1399 IonicContact OD2-CZ 3.64Å; D1069-R1399 IonicContact OD2-NE 3.18Å; D1069-R1399 IonicContact OD2-NH1 3.74Å; D1069-R1399 PolarHBondContact OD2-NH1 2.63Å; D1069-R1400 HydrophobicContact CB-CB 3.61Å; D1069-R1400 HydrophobicContact CB-CG 3.64Å; D1069-R1400 PolarHBondContact O-N 3.16Å; D1069-R1400 WeakPolarHBondContact OD2-CA 3.03Å; D1069-G1408 VanDerWaalsContact C-C 3.47Å; D1069-G1408 VanDerWaalsContact C-CA 3.48Å; D1069-G1408 CarbonylContact O-C 2.97Å; D1069-G1408 WeakPolarHBondContact O-CA 3.18Å; D1069-G1408 PolarHBondContact O-N 2.76Å
1070	Q	31.2	Very low	32.2	Very low	51 Å²	51	88.9 Å²	88.9	24%	0.238	50%	0.495	C	S	.	.			trans	59.7	117.2	135.8	-68.8	174.4	23.4	0	0	120.2	T1398 R1399 G1408	Q1070-T1398 CarbonylContact O-C 2.89Å; Q1070-T1398 VanDerWaalsContact O-CG2 3.29Å; Q1070-T1398 WeakPolarHBondContact O-CG2 3.32Å; Q1070-R1399 HydrophobicContact CB-CB 3.8Å; Q1070-R1399 WeakPolarHBondContact O-CA 3.43Å; Q1070-R1399 VanDerWaalsContact O-CB 3.23Å; Q1070-R1399 WeakPolarHBondContact O-CB 3.27Å; Q1070-R1399 PolarHBondContact O-N 2.87Å; Q1070-G1408 CarbonylContact C-O 3.59Å; Q1070-G1408 PolarHBondContact N-O 3.43Å
1071	Y	31.1	Very low	32	Very low	94 Å²	94	88.4 Å²	88.4	37%	0.369	48%	0.479	S	S	.	.				124.7	139	110.6	-76.2	-17.3	0	0	0	119.1	T1398 Q2399 Q2400	Y1071-T1398 VanDerWaalsContact O-CA 3.26Å; Y1071-T1398 WeakPolarHBondContact O-CA 3.32Å; Y1071-T1398 VanDerWaalsContact O-CB 3.24Å; Y1071-T1398 WeakPolarHBondContact O-CB 3.38Å; Y1071-T1398 WeakPolarHBondContact O-CG2 3.1Å; Y1071-T1398 PolarHBondContact O-OG1 2.85Å; Y1071-Q2399 PolarHBondContact O-NE2 3.44Å; Y1071-Q2400 PolarHBondContact O-OE1 3.49Å; Y1071-Q2400 VanDerWaalsContact O-OE1 3.12Å
1072	K	34.4	Very low	32	Very low	102 Å²	102	91.3 Å²	91.3	44%	0.443	47%	0.47	S	S	.	.			cis	-174.1	163.8	-18.5	-152.5	-179.4	-171	177.2	0	106.8	Q2399	K1072-Q2399 WeakPolarHBondContact O-CB 3.35Å; K1072-Q2399 VanDerWaalsContact O-CG 3.25Å; K1072-Q2399 WeakPolarHBondContact O-CG 3.45Å; K1072-Q2399 PolarHBondContact O-NE2 2.79Å; K1072-Q2399 PolarHBondContact O-OE1 2.82Å
1073	N	33.3	Very low	32.3	Very low	60 Å²	60	85.4 Å²	85.4	32%	0.321	45%	0.449	S	S	.	.			trans	86.3	70.8	169.6	-40.8	-39.2	0	0	0	112.7	L2398 Q2399	N1073-L2398 HydrophobicContact CB-CB 3.8Å; N1073-L2398 HydrophobicContact CB-CD2 3.91Å; N1073-L2398 HydrophobicContact CB-CG 4.34Å; N1073-L2398 CarbonylContact O-C 3.46Å; N1073-L2398 WeakPolarHBondContact O-CA 3.34Å; N1073-L2398 WeakPolarHBondContact O-CB 3.34Å; N1073-Q2399 WeakPolarHBondContact O-CB 3.43Å; N1073-Q2399 PolarHBondContact O-N 3.13Å
1074	H	29.8	Very low	32.2	Very low	107 Å²	107	83.4 Å²	83.4	50%	0.495	44%	0.435	S	S	.	.				73	153	71.9	-58	-52.6	0	0	0	113.6	G1539 S1540 S1541	H1074-G1539 WeakPolarHBondContact CB-O 3.37Å; H1074-S1540 CarbonylContact O-C 3.16Å; H1074-S1540 PolarHBondContact O-N 3.04Å; H1074-S1541 PolarHBondContact O-N 2.84Å; H1074-S1541 VanDerWaalsContact O-N 3.14Å
1075	S	31.6	Very low	32.4	Very low	16 Å²	16	87.3 Å²	87.3	11%	0.112	44%	0.441	C	S	.	.			trans	66.5	71.2	179.3	-164.6	0	0	0	0	112.7	D1077 S1541	S1075-D1077 WeakPolarHBondContact CA-OD2 3.43Å; S1075-D1077 PolarHBondContact N-OD2 3.38Å; S1075-S1541 WeakPolarHBondContact O-CA 3.43Å; S1075-S1541 WeakPolarHBondContact O-CB 3.45Å; S1075-S1541 PolarHBondContact O-N 2.66Å; S1075-S1541 PolarHBondContact O-OG 3.18Å; S1075-S1541 PolarHBondContact OG-O 3.26Å
1076	N	47.1	Very low	32.5	Very low	74 Å²	74	94.7 Å²	94.7	40%	0.396	45%	0.451	S	S	.	.			trans	-141.7	68.5	159.2	-67.5	-65.1	0	0	0	105.4	S1541 L2398	N1076-S1541 PolarHBondContact OD1-OG 2.63Å; N1076-L2398 PolarHBondContact ND2-O 3.35Å; N1076-L2398 VanDerWaalsContact ND2-O 3.17Å
1077	D	38.9	Very low	32.5	Very low	72 Å²	72	95.1 Å²	95.1	39%	0.385	45%	0.451	S	S	.	.			trans	-140.2	146.7	-158.9	-58.2	-78.9	0	0	0	108.2	S1075 T1413	S1075-D1077 WeakPolarHBondContact CA-OD2 3.43Å; S1075-D1077 PolarHBondContact N-OD2 3.38Å; D1077-T1413 WeakPolarHBondContact OD1-CB 3.42Å; D1077-T1413 PolarHBondContact OD1-OG1 3.32Å
1078	D	34.1	Very low	32.6	Very low	112 Å²	112	93.4 Å²	93.4	60%	0.599	45%	0.453	S	S	*	.			cis	-141.5	159.8	31.1	-157.4	-4.7	0	0	0	112.9
1079	I	37	Very low	32.5	Very low	62 Å²	62	96 Å²	96	32%	0.318	48%	0.477	S	S	.	.			trans	-75.4	151.6	-174.6	-123.3	-175.2	0	0	0	112	Y1081 N1414 D1415	I1079-Y1081 HydrophobicContact CG2-CD2 4.09Å; I1079-N1414 WeakPolarHBondContact CB-ND2 3.25Å; I1079-N1414 VanDerWaalsContact CD1-OD1 3.28Å; I1079-N1414 WeakPolarHBondContact CD1-OD1 3.49Å; I1079-N1414 HydrophobicContact CG1-CB 4.43Å; I1079-D1415 HydrophobicContact CD1-CB 4.29Å; I1079-D1415 WeakPolarHBondContact CD1-OD2 3.45Å; I1079-D1415 HydrophobicContact CG1-CB 4.25Å; I1079-D1415 WeakPolarHBondContact CG1-OD2 3.02Å
1080	F	34.5	Very low	32.4	Very low	150 Å²	150	107.4 Å²	107.4	66%	0.658	52%	0.52	S	S	*	.			trans	-1.2	171.8	134.1	-86.5	-92.2	0	0	0	119.6	V1416	F1080-V1416 HydrophobicContact CD2-CG2 3.92Å; F1080-V1416 HydrophobicContact CE2-CG2 4.1Å
1081	Y	29.2	Very low	32.2	Very low	122 Å²	122	110.5 Å²	110.5	48%	0.478	55%	0.547	S	S	.	.				-153	-170.9	122.1	-139.6	-105.4	0	0	0	113.3	I1079 R1348 G1349 G1350	I1079-Y1081 HydrophobicContact CG2-CD2 4.09Å; Y1081-R1348 VanDerWaalsContact C-N 3.26Å; Y1081-R1348 CarbonylContact C-O 3.4Å; Y1081-R1348 PolarHBondContact O-N 3.28Å; Y1081-G1349 WeakPolarHBondContact CD1-O 3.45Å; Y1081-G1350 VanDerWaalsContact CB-N 3.28Å
1082	R	30.8	Very low	32.1	Very low	128 Å²	128	113 Å²	113	48%	0.483	57%	0.565	S	S	.	*			trans	-142.7	127.6	-165.3	-162.5	-156.7	177.1	-153.2	0.8	111.5	S1345 N1346 R1348	R1082-S1345 VanDerWaalsContact CZ-O 3.27Å; R1082-S1345 PolarHBondContact NE-O 2.89Å; R1082-S1345 PolarHBondContact NH2-O 3.44Å; R1082-N1346 WeakPolarHBondContact CG-O 3.43Å; R1082-R1348 CarbonylContact C-O 3.35Å; R1082-R1348 VanDerWaalsContact CA-N 3.28Å; R1082-R1348 WeakPolarHBondContact CA-O 3.41Å; R1082-R1348 PolarHBondContact N-O 3.4Å
1083	P	32	Very low	31.9	Very low	73 Å²	73	113.6 Å²	113.6	47%	0.474	58%	0.577	S	S	.	*				-135.3	163.4	106.1	41.5	-39.1	0	0	0	117.4	N1346 S1347 R1348	P1083-N1346 CarbonylContact C-O 3.59Å; P1083-S1347 WeakPolarHBondContact CD-O 3.47Å; P1083-S1347 CarbonylContact O-C 3.6Å; P1083-S1347 PolarHBondContact O-OG 2.83Å; P1083-R1348 WeakPolarHBondContact CD-O 3.43Å
1084	S	27.9	Very low	31.6	Very low	69 Å²	69	116.1 Å²	116.1	48%	0.483	60%	0.599	S	S	.	*			trans	101.9	118.4	173.1	-47.6	0	0	0	0	114.7	N1346	S1084-N1346 PolarHBondContact N-O 3.38Å
1085	E	33.2	Very low	31.4	Very low	154 Å²	154	114.3 Å²	114.3	72%	0.72	61%	0.61	S	S	*	*			cis	-147.8	-168.6	30.3	-137.6	178	169.3	0	0	115.7
1086	R	30.6	Very low	31.3	Very low	213 Å²	213	119.2 Å²	119.2	80%	0.804	64%	0.644	S	S	*	*			trans	-85.4	147.2	-168.6	-59.7	161.9	171.2	165.9	-4.9	111.9	A1088	R1086-A1088 HydrophobicContact CB-CB 4.46Å
1087	Q	26.9	Very low	30.3	Very low	150 Å²	150	124.4 Å²	124.4	70%	0.701	66%	0.664	S	S	*	*			trans	-92.3	114.8	143	-68	-174	14.5	0	0	108.5	G1342	Q1087-G1342 PolarHBondContact NE2-O 3.19Å
1088	A	30.3	Very low	29.7	Very low	83 Å²	83	126.1 Å²	126.1	69%	0.686	68%	0.677	S	S	*	*			trans	-156.8	72.1	172.3	0	0	0	0	0	111.1	R1086	R1086-A1088 HydrophobicContact CB-CB 4.46Å
1089	S	25.9	Very low	29.3	Very low	117 Å²	117	123.8 Å²	123.8	82%	0.818	68%	0.679	S	S	*	*			trans	-29.5	124.9	173.2	-47.2	0	0	0	0	116.5
1090	R	31.1	Very low	28.8	Very low	247 Å²	247	128.9 Å²	128.9	93%	0.932	71%	0.705	S	S	*	*			trans	-153	85.8	151.1	-112.4	167.8	-158.7	-111.9	1.5	112.9
1091	S	25.8	Very low	28.7	Very low	115 Å²	115	127.6 Å²	127.6	80%	0.804	72%	0.715	S	S	*	*			trans	4.8	119.3	141.6	178.9	0	0	0	0	118
1092	I	30	Very low	28.6	Very low	148 Å²	148	124.2 Å²	124.2	76%	0.759	72%	0.717	S	S	*	*				-146.6	137.8	123.9	-34.7	175.6	0	0	0	108
1093	T	30.5	Very low	28.5	Very low	113 Å²	113	128.4 Å²	128.4	69%	0.693	73%	0.734	S	S	*	*			trans	42.9	128.5	157.4	45.9	0	0	0	0	120.3
1094	S	25.7	Very low	28.4	Very low	113 Å²	113	133.8 Å²	133.8	79%	0.79	75%	0.751	S	S	*	*			cis	57.4	114.8	20.6	86.5	0	0	0	0	116.2
1095	G	27.1	Very low	28.3	Very low	69 Å²	69	134.4 Å²	134.4	71%	0.711	77%	0.768	S	S	*	*			trans	93.7	112.8	-164.7	0	0	0	0	0	109
1096	S	29	Very low	28.3	Very low	119 Å²	119	130.6 Å²	130.6	83%	0.832	77%	0.77	S	S	*	*				56.7	99.9	55	-166.3	0	0	0	0	112.4
1097	F	26.2	Very low	28.2	Very low	184 Å²	184	130.6 Å²	130.6	81%	0.807	77%	0.77	S	S	*	*			trans	-156.3	145.8	137.1	-131.7	-109.6	0	0	0	109.8
1098	T	26.3	Very low	28.2	Very low	107 Å²	107	130.5 Å²	130.5	66%	0.656	77%	0.771	S	S	*	*			trans	21.5	133.5	158.7	56.5	0	0	0	0	120.8
1099	G	26.1	Very low	28.2	Very low	63 Å²	63	131.5 Å²	131.5	65%	0.649	77%	0.769	S	S	*	*			trans	-70.4	-147.7	150.2	0	0	0	0	0	112.3
1100	I	25.3	Very low	28.2	Very low	170 Å²	170	131.7 Å²	131.7	87%	0.872	75%	0.752	S	S	*	*			trans	68.2	89.2	169.3	-43.6	166.7	0	0	0	114.3
1101	S	33.3	Very low	27.9	Very low	122 Å²	122	123.6 Å²	123.6	85%	0.853	73%	0.733	S	S	*	*				-134.1	128.1	99.6	-163.7	0	0	0	0	109.3
1102	G	26.8	Very low	27.8	Very low	52 Å²	52	126.8 Å²	126.8	54%	0.536	73%	0.729	S	S	.	*			trans	-81.5	164.6	178.1	0	0	0	0	0	111.4
1103	Y	28.5	Very low	27.7	Very low	215 Å²	215	123.4 Å²	123.4	84%	0.843	72%	0.723	S	S	*	*				-173.2	166	94.2	-111.9	-84.8	0	0	0	112
1104	F	30.6	Very low	27.6	Very low	187 Å²	187	125 Å²	125	82%	0.82	72%	0.723	S	S	*	*			trans	54.9	106.6	170.3	-74.9	-72.2	0	0	0	118.8
1105	G	26	Very low	27.7	Very low	81 Å²	81	129.1 Å²	129.1	84%	0.835	72%	0.722	S	S	*	*			trans	-62.6	155.1	161.7	0	0	0	0	0	112.7
1106	G	31.4	Very low	28	Very low	74 Å²	74	132.6 Å²	132.6	76%	0.763	72%	0.72	S	S	*	*			trans	-156.5	91.7	-171.9	0	0	0	0	0	113.4
1107	R	29.8	Very low	28.2	Very low	214 Å²	214	132.7 Å²	132.7	81%	0.808	72%	0.721	S	S	*	*			trans	38.5	117.1	142.6	-67	-174.9	178.1	-145.6	3.1	120.2
1108	M	26.1	Very low	28.4	Very low	148 Å²	148	127.7 Å²	127.7	73%	0.729	71%	0.708	S	S	*	*				72.4	158.5	119	-61.8	166	169.9	0	0	120.9
1109	T	31.2	Very low	28.8	Very low	104 Å²	104	133.6 Å²	133.6	64%	0.638	72%	0.718	S	S	*	*			trans	64.8	111.7	165.7	52.4	0	0	0	0	115.6
1110	R	25.4	Very low	29	Very low	121 Å²	121	136.3 Å²	136.3	46%	0.457	72%	0.718	S	S	.	*				58.4	141.3	53.3	-155.4	-149.6	-150.4	-73.1	12.4	111
1111	S	24.8	Very low	29.1	Very low	77 Å²	77	136 Å²	136	54%	0.538	71%	0.713	S	S	.	*			trans	82.6	100.3	160	-56.4	0	0	0	0	118.3
1112	Y	24.6	Very low	28.9	Very low	181 Å²	181	137.1 Å²	137.1	71%	0.71	71%	0.709	S	S	*	*				86.1	149.1	109.6	-92	-79.5	0	0	0	121.4
1113	A	27.4	Very low	29	Very low	77 Å²	77	144.6 Å²	144.6	64%	0.636	73%	0.727	S	S	*	*			trans	85.9	144.7	135.6	0	0	0	0	0	119.8
1114	Q	29.1	Very low	29.2	Very low	148 Å²	148	140.9 Å²	140.9	69%	0.692	72%	0.722	S	S	*	*			cis	-176.7	163.5	-13.6	-110.9	-170.4	-68.8	0	0	105.8
1115	Y	27.1	Very low	29	Very low	198 Å²	198	137.5 Å²	137.5	78%	0.776	71%	0.712	S	S	*	*			cis	-166.8	-162.4	-14.4	-136	-156	0	0	0	108.1
1116	E	32.6	Very low	29.8	Very low	143 Å²	143	139.8 Å²	139.8	67%	0.668	71%	0.705	S	S	*	*			trans	107.3	91.7	147.8	-54	-159.9	158.1	0	0	118.7
1117	S	33.8	Very low	30.3	Very low	121 Å²	121	138 Å²	138	85%	0.846	68%	0.68	S	S	*	*				-143.6	109.6	118.3	-173.2	0	0	0	0	106.3
1118	S	30.9	Very low	30.2	Very low	78 Å²	78	133.1 Å²	133.1	55%	0.545	67%	0.667	S	S	.	*				81.5	63.4	58.9	-58	0	0	0	0	113.9
1119	R	34.4	Very low	31	Very low	231 Å²	231	128.3 Å²	128.3	87%	0.872	64%	0.641	S	S	*	*			trans	-161.4	112.7	131.4	-102.8	166.5	174	-179.2	-1.1	108.2
1120	D	31.1	Very low	30.7	Very low	121 Å²	121	133.7 Å²	133.7	65%	0.647	65%	0.651	S	S	*	*				89.5	125.7	61.6	-77.4	-38.1	0	0	0	111.7
1121	Q	27.1	Very low	31.4	Very low	163 Å²	163	131.9 Å²	131.9	76%	0.762	65%	0.653	S	S	*	*			cis	-144.9	-165.3	-17.2	-76.9	-162.9	-1.6	0	0	109
1122	N	28	Very low	31.9	Very low	145 Å²	145	131.8 Å²	131.8	78%	0.775	65%	0.65	S	S	*	*			trans	70.6	70.2	172.2	-63.4	-11.2	0	0	0	116.9
1123	K	28.7	Very low	31.9	Very low	209 Å²	209	131 Å²	131	91%	0.909	66%	0.658	S	S	*	*			trans	-133.7	57.1	142.3	-76.7	-159.5	175.1	-174	0	111.3
1124	D	32.5	Very low	31.8	Very low	138 Å²	138	129.6 Å²	129.6	74%	0.738	65%	0.651	S	S	*	*			trans	-131.9	131.2	170.3	-92.9	-32.4	0	0	0	107.2
1125	L	27	Very low	32.1	Very low	116 Å²	116	131.2 Å²	131.2	61%	0.607	65%	0.651	S	S	*	*	S	Bend	cis	-134	103.5	-6.3	-85.9	160	0	0	0	107.6	Q1128	L1125-Q1128 HydrophobicContact CB-CG 3.87Å; L1125-Q1128 WeakPolarHBondContact O-CG 3.44Å
1126	D	42.1	Very low	32.5	Very low	129 Å²	129	127.6 Å²	127.6	69%	0.69	64%	0.641	S	S	*	*			trans	-163.4	158.8	179.4	-131	3.9	0	0	0	112.2	Q1128	D1126-Q1128 PolarHBondContact OD1-N 3.23Å
1127	S	42.3	Very low	32.6	Very low	35 Å²	35	123.8 Å²	123.8	25%	0.245	62%	0.624	C	S	.	*	S	Bend	cis	-61.2	113.4	-14.2	-50.5	0	0	0	0	108.9	S74 Y1129	S74-S1127 WeakPolarHBondContact O-CB 3.45Å; S74-S1127 PolarHBondContact O-OG 3.46Å; S1127-Y1129 WeakPolarHBondContact O-CB 3.49Å; S1127-Y1129 PolarHBondContact O-N 2.89Å
1128	Q	29.1	Very low	32.6	Very low	112 Å²	112	125.1 Å²	125.1	52%	0.523	61%	0.61	S	S	.	*	B	Isolated β-bridge	trans	-74.1	99.8	-171.8	-107.5	-64.6	-24.5	0	0	110.4	L1125 D1126	L1125-Q1128 HydrophobicContact CB-CG 3.87Å; L1125-Q1128 WeakPolarHBondContact O-CG 3.44Å; D1126-Q1128 PolarHBondContact OD1-N 3.23Å
1129	Y	42.2	Very low	32.5	Very low	47 Å²	47	125 Å²	125	18%	0.184	61%	0.608	C	S	.	*			trans	-116.4	104	-161	-122.9	-111.5	0	0	0	112.6	S74 V76 P77 A78 S1127 V1131	S74-Y1129 WeakPolarHBondContact OG-CE1 3.35Å; S74-Y1129 VanDerWaalsContact OG-CZ 3.25Å; V76-Y1129 WeakPolarHBondContact O-CE2 3.1Å; V76-Y1129 PolarHBondContact O-OH 3.3Å; P77-Y1129 VanDerWaalsContact C-OH 3.26Å; P77-Y1129 PolarHBondContact O-OH 3.29Å; A78-Y1129 VanDerWaalsContact CA-CE2 3.44Å; A78-Y1129 HydrophobicContact CB-CD2 4.11Å; A78-Y1129 HydrophobicContact CB-CE2 3.6Å; A78-Y1129 VanDerWaalsContact N-CE2 3.33Å; S1127-Y1129 WeakPolarHBondContact O-CB 3.49Å; S1127-Y1129 PolarHBondContact O-N 2.89Å; Y1129-V1131 HydrophobicContact CD1-CG2 4.06Å; Y1129-V1131 HydrophobicContact CE1-CG2 3.34Å
1130	Y	24.9	Very low	32.2	Very low	217 Å²	217	117.4 Å²	117.4	85%	0.851	58%	0.582	S	S	*	*	S	Bend		-106	162.2	98.2	-79.7	-104.1	0	0	0	107.8	T1132	Y1130-T1132 PolarHBondContact O-N 2.88Å
1131	V	40.1	Very low	32	Very low	83 Å²	83	114.1 Å²	114.1	50%	0.503	56%	0.562	S	S	.	*	S	Bend	trans	-62.2	106.6	179.5	176.9	0	0	0	0	109.5	Y1129	Y1129-V1131 HydrophobicContact CD1-CG2 4.06Å; Y1129-V1131 HydrophobicContact CE1-CG2 3.34Å
1132	T	35.3	Very low	32	Very low	75 Å²	75	111.7 Å²	111.7	46%	0.46	55%	0.552	S	S	.	*			trans	53.9	109	173.6	55.1	0	0	0	0	115.9	A78 Y1130	A78-T1132 HydrophobicContact CB-CG2 3.86Å; A78-T1132 WeakPolarHBondContact O-CG2 3.44Å; Y1130-T1132 PolarHBondContact O-N 2.88Å
1133	N	24.3	Very low	31.9	Very low	164 Å²	164	110.1 Å²	110.1	88%	0.877	54%	0.536	S	S	*	.				-143.1	134.8	90	-81.5	-46.7	0	0	0	109.2
1134	G	26.3	Very low	31.7	Very low	49 Å²	49	105.3 Å²	105.3	51%	0.505	51%	0.513	S	S	.	.			cis	103.3	79	6.9	0	0	0	0	0	112.5
1135	R	33.6	Very low	31.5	Very low	181 Å²	181	102.1 Å²	102.1	68%	0.683	50%	0.502	S	S	*	.			trans	-122.9	105.7	131.4	-79.3	-173.9	179.8	-134.4	1	104.7	V96 F2258	V96-R1135 WeakPolarHBondContact CG1-O 3.45Å; R1135-F2258 HydrophobicContact CB-CE2 4.36Å; R1135-F2258 HydrophobicContact CB-CZ 3.89Å; R1135-F2258 HydrophobicContact CG-CZ 4.18Å
1136	Q	36.3	Very low	31.6	Very low	123 Å²	123	103.9 Å²	103.9	58%	0.575	51%	0.506	S	S	*	.				73	138.3	79.9	-70.8	175.8	-2.2	0	0	111.4	V96	V96-Q1136 PolarHBondContact N-O 3.15Å; V96-Q1136 VanDerWaalsContact N-O 3.08Å
1137	M	35.2	Very low	31.4	Very low	63 Å²	63	107 Å²	107	31%	0.31	51%	0.514	S	S	.	.			cis	-127.1	154.5	24.8	-51.7	-82.9	-113.4	0	0	114.8	Q93 P94 F2258	Q93-M1137 WeakPolarHBondContact CA-O 3.2Å; Q93-M1137 WeakPolarHBondContact CB-O 3.33Å; Q93-M1137 WeakPolarHBondContact CG-O 3.45Å; Q93-M1137 PolarHBondContact NE2-O 3.36Å; Q93-M1137 VanDerWaalsContact NE2-O 3.12Å; P94-M1137 VanDerWaalsContact O-CB 3.31Å; P94-M1137 WeakPolarHBondContact O-CB 3.04Å; P94-M1137 WeakPolarHBondContact O-CG 3.28Å; M1137-F2258 HydrophobicContact CG-CE1 4.41Å; M1137-F2258 HydrophobicContact SD-CE1 4.26Å
1138	R	32.5	Very low	31.3	Very low	148 Å²	148	108.3 Å²	108.3	56%	0.558	53%	0.533	S	S	*	.			trans	52.1	-155.1	151.4	-69	173.5	81.9	-140	10.1	117.6	A91 D92 Q93	A91-R1138 VanDerWaalsContact C-NH2 3.34Å; A91-R1138 PolarHBondContact O-NH2 3.17Å; D92-R1138 VanDerWaalsContact C-CB 3.42Å; D92-R1138 VanDerWaalsContact CB-NH1 3.32Å; D92-R1138 WeakPolarHBondContact O-CB 3.45Å; D92-R1138 VanDerWaalsContact O-CD 3.28Å; D92-R1138 WeakPolarHBondContact O-CD 3.23Å; D92-R1138 PolarHBondContact O-NH1 3.21Å; D92-R1138 IonicContact OD2-CZ 2.81Å; D92-R1138 IonicContact OD2-NH1 2.64Å; D92-R1138 PolarHBondContact OD2-NH1 3.19Å; D92-R1138 IonicContact OD2-NH2 3.09Å; D92-R1138 PolarHBondContact OD2-NH2 3.12Å; Q93-R1138 VanDerWaalsContact CG-C 3.49Å; Q93-R1138 VanDerWaalsContact CG-O 3.27Å; Q93-R1138 WeakPolarHBondContact CG-O 3Å; Q93-R1138 PolarHBondContact NE2-O 3.11Å
1139	P	30.5	Very low	31.5	Very low	75 Å²	75	111.2 Å²	111.2	49%	0.487	55%	0.547	S	S	.	.	S	Bend	trans	-140.9	105.3	169.4	31.8	-9.8	0	0	0	118	A91 Q93	A91-P1139 VanDerWaalsContact C-CD 3.48Å; A91-P1139 VanDerWaalsContact O-CD 3.26Å; A91-P1139 WeakPolarHBondContact O-CD 3.01Å; Q93-P1139 VanDerWaalsContact N-C 3.29Å
1140	Q	26.8	Very low	30.8	Very low	73 Å²	73	117.5 Å²	117.5	34%	0.341	58%	0.576	S	S	.	*			trans	-170.9	-173.4	162.9	-89.7	-139.7	65	0	0	113.1	D92 Q93	D92-Q1140 HydrophobicContact CB-CB 3.86Å; D92-Q1140 HydrophobicContact CB-CG 4.13Å; D92-Q1140 PolarHBondContact OD1-NE2 3.21Å; Q93-Q1140 WeakPolarHBondContact CB-O 3.38Å
1141	K	27.1	Very low	31	Very low	51 Å²	51	111.8 Å²	111.8	22%	0.222	57%	0.567	C	S	.	*			trans	-38.6	177.6	164.4	-53.8	155.3	-170.9	161.8	0	116.2	Y1144 N2250 G2252	K1141-Y1144 HydrophobicContact CD-CE2 4.1Å; K1141-N2250 WeakPolarHBondContact CE-OD1 3.19Å; K1141-N2250 PolarHBondContact NZ-OD1 3.42Å; K1141-G2252 CarbonylContact C-O 3.02Å; K1141-G2252 WeakPolarHBondContact CA-O 3.3Å; K1141-G2252 WeakPolarHBondContact CB-O 3.35Å
1142	M	27.6	Very low	30.5	Very low	113 Å²	113	111.9 Å²	111.9	56%	0.557	57%	0.571	S	S	*	*			trans	-160.6	-31	132.4	-115.9	-55.9	-66.5	0	0	112.8	Y1144 G2252 H2254	M1142-Y1144 PolarHBondContact O-N 2.98Å; M1142-G2252 PolarHBondContact N-O 2.96Å; M1142-H2254 WeakPolarHBondContact CB-O 3.36Å
1143	Y	25.9	Very low	30.2	Very low	111 Å²	111	111.3 Å²	111.3	44%	0.435	57%	0.574	S	S	.	*			trans	-73.8	94.7	178.4	-174.6	70.8	0	0	0	112.1	S1145 G2252 R2253 H2254	Y1143-S1145 WeakPolarHBondContact CE2-O 3.45Å; Y1143-S1145 PolarHBondContact OH-O 2.87Å; Y1143-G2252 PolarHBondContact N-O 2.98Å; Y1143-G2252 CarbonylContact O-C 2.89Å; Y1143-G2252 WeakPolarHBondContact O-CA 3.37Å; Y1143-R2253 PolarHBondContact O-N 2.84Å; Y1143-H2254 AromaticContact CD1-CD2 3.74Å; Y1143-H2254 AromaticContact CD2-CD2 3.87Å; Y1143-H2254 HydrophobicContact CG-CB 4.49Å; Y1143-H2254 AromaticContact CG-CD2 3.52Å
1144	Y	25.2	Very low	30.5	Very low	109 Å²	109	108 Å²	108	43%	0.427	56%	0.561	S	S	.	*			trans	-79.3	177.4	149.2	-77.9	-108.5	0	0	0	109.9	K1141 M1142 Q2249 N2250	K1141-Y1144 HydrophobicContact CD-CE2 4.1Å; M1142-Y1144 PolarHBondContact O-N 2.98Å; Y1144-Q2249 PolarHBondContact OH-O 3.2Å; Y1144-N2250 VanDerWaalsContact CE1-C 3.47Å; Y1144-N2250 WeakPolarHBondContact CE1-O 3.48Å; Y1144-N2250 VanDerWaalsContact CZ-C 3.42Å; Y1144-N2250 VanDerWaalsContact OH-CA 3.3Å; Y1144-N2250 WeakPolarHBondContact OH-CA 3.24Å; Y1144-N2250 PolarHBondContact OH-N 2.97Å; Y1144-N2250 VanDerWaalsContact OH-N 3.1Å; Y1144-N2250 PolarHBondContact OH-O 2.9Å
1145	S	26.7	Very low	30.8	Very low	71 Å²	71	112.4 Å²	112.4	50%	0.497	57%	0.572	S	S	.	*			trans	75.6	117.2	-168.2	-62.5	0	0	0	0	113.7	Y1143	Y1143-S1145 WeakPolarHBondContact CE2-O 3.45Å; Y1143-S1145 PolarHBondContact OH-O 2.87Å
1146	H	29.9	Very low	30.6	Very low	152 Å²	152	112.1 Å²	112.1	70%	0.704	58%	0.576	S	S	*	*				69	128.1	62.1	-59.7	-39.7	0	0	0	111.4
1147	K	38.3	Very low	30.5	Very low	194 Å²	194	110.4 Å²	110.4	84%	0.843	58%	0.578	S	S	*	*			cis	-154.8	164.1	8.6	-110.4	156.7	-175.7	178.6	0	110.4
1148	G	38.6	Very low	30.3	Very low	64 Å²	64	114.8 Å²	114.8	66%	0.66	60%	0.597	S	S	*	*			trans	98.1	111.6	170	0	0	0	0	0	113.1
1149	Q	34.4	Very low	30.2	Very low	172 Å²	172	113.4 Å²	113.4	80%	0.804	60%	0.597	S	S	*	*			cis	94.9	126.3	48.1	-82.2	-174.5	-28.2	0	0	113.4
1150	F	26.8	Very low	30.2	Very low	180 Å²	180	116.7 Å²	116.7	79%	0.789	60%	0.601	S	S	*	*			trans	47.7	137.3	149.3	-62.2	-66.6	0	0	0	119.6
1151	S	29.9	Very low	30.6	Very low	96 Å²	96	116.3 Å²	116.3	67%	0.671	60%	0.604	S	S	*	*			cis	-169.3	178.1	23.3	-127.8	0	0	0	0	115
1152	S	29.2	Very low	31	Very low	85 Å²	85	114.7 Å²	114.7	59%	0.594	60%	0.599	S	S	*	*			trans	62.3	103.3	146.5	61.6	0	0	0	0	122.9	D2345	S1152-D2345 WeakPolarHBondContact CB-OD1 3.47Å
1153	A	29.3	Very low	31.4	Very low	63 Å²	63	110 Å²	110	52%	0.521	58%	0.578	S	S	.	*				92.8	117.1	103.7	0	0	0	0	0	124	D2345	A1153-D2345 WeakPolarHBondContact CB-OD1 3.38Å
1154	T	31.1	Very low	32.1	Very low	96 Å²	96	107 Å²	107	59%	0.589	57%	0.569	S	S	*	*			trans	57.6	105.8	131.8	61.2	0	0	0	0	125
1155	D	31.8	Very low	32.7	Very low	141 Å²	141	106.5 Å²	106.5	75%	0.754	57%	0.574	S	S	*	*				67.5	150	96.5	-116.6	-13.4	0	0	0	126.3
1156	F	29.7	Very low	33.3	Very low	174 Å²	174	107.5 Å²	107.5	76%	0.763	57%	0.574	S	S	*	*			trans	75.2	166.6	157.4	-86.8	-75.5	0	0	0	124.1
1157	S	33.8	Very low	33.9	Very low	87 Å²	87	109.3 Å²	109.3	61%	0.608	58%	0.583	S	S	*	*			trans	-157.3	166.1	-149.9	59.3	0	0	0	0	113.5
1158	H	30	Very low	33.7	Very low	155 Å²	155	104.6 Å²	104.6	72%	0.718	57%	0.567	S	S	*	*			trans	-175.9	113	141.7	-102	-67.5	0	0	0	116.4
1159	E	31	Very low	33.6	Very low	119 Å²	119	109.1 Å²	109.1	56%	0.556	56%	0.564	S	S	*	*				39.1	130.5	108.5	-148.2	178.8	-164.6	0	0	124.1
1160	Y	31.7	Very low	33.5	Very low	145 Å²	145	105.9 Å²	105.9	57%	0.569	56%	0.56	S	S	*	*				171.9	95.9	108.8	-108.5	-84.7	0	0	0	119.7	T1296 T1297	Y1160-T1296 CarbonylContact O-C 3.52Å; Y1160-T1296 WeakPolarHBondContact O-CA 3.17Å; Y1160-T1296 PolarHBondContact O-N 3.1Å; Y1160-T1296 VanDerWaalsContact O-N 3.13Å; Y1160-T1297 PolarHBondContact N-OG1 3.12Å; Y1160-T1297 PolarHBondContact O-N 3.45Å
1161	V	35.4	Very low	33.9	Very low	65 Å²	65	106.1 Å²	106.1	39%	0.394	56%	0.563	S	S	.	*				52.2	125.7	122.6	-179.3	0	0	0	0	126	I1294 H1295 T1297	V1161-I1294 HydrophobicContact CG1-CG2 3.85Å; V1161-I1294 WeakPolarHBondContact O-CG2 3.27Å; V1161-H1295 WeakPolarHBondContact O-CA 3.5Å; V1161-H1295 PolarHBondContact O-N 3.29Å; V1161-T1297 PolarHBondContact N-O 2.78Å
1162	A	34.9	Very low	33.9	Very low	16 Å²	16	105.1 Å²	105.1	13%	0.132	57%	0.568	C	S	.	*			trans	68.5	154.5	136.1	0	0	0	0	0	133	I1294 H1295 S1426	A1162-I1294 HydrophobicContact CB-CG2 3.57Å; A1162-I1294 CarbonylContact O-C 3.33Å; A1162-I1294 WeakPolarHBondContact O-CB 3.34Å; A1162-I1294 WeakPolarHBondContact O-CG2 3.43Å; A1162-H1295 WeakPolarHBondContact CA-ND1 3.14Å; A1162-H1295 PolarHBondContact N-ND1 2.73Å; A1162-H1295 VanDerWaalsContact N-ND1 3.12Å; A1162-H1295 VanDerWaalsContact O-CA 3.27Å; A1162-H1295 WeakPolarHBondContact O-CA 3.34Å; A1162-H1295 WeakPolarHBondContact O-CB 3.47Å; A1162-H1295 PolarHBondContact O-N 3.45Å; A1162-H1295 PolarHBondContact O-ND1 3.33Å; A1162-S1426 WeakPolarHBondContact CB-O 3.15Å
1163	S	36.2	Very low	34.1	Very low	15 Å²	15	113 Å²	113	11%	0.105	59%	0.585	C	S	.	*			trans	97.9	134.3	174.8	-54.9	0	0	0	0	121.9	H1295 S1426 F1427	S1163-H1295 PolarHBondContact O-CD2 2.93Å; S1163-H1295 PolarHBondContact O-NE2 2.96Å; S1163-S1426 PolarHBondContact N-O 2.79Å; S1163-F1427 PolarHBondContact OG-O 2.73Å
1164	D	39.4	Very low	34.1	Very low	47 Å²	47	114.3 Å²	114.3	25%	0.251	59%	0.591	S	S	.	*			cis	-167	163.1	-5.9	-172.7	43.1	0	0	0	118	F1427 S1428 S1429	D1164-F1427 VanDerWaalsContact OD1-CA 3.32Å; D1164-F1427 WeakPolarHBondContact OD1-CA 3.25Å; D1164-F1427 WeakPolarHBondContact OD1-CD1 3.44Å; D1164-S1428 WeakPolarHBondContact CB-O 3.42Å; D1164-S1428 WeakPolarHBondContact OD1-CA 3.4Å; D1164-S1428 PolarHBondContact OD1-N 2.89Å; D1164-S1428 VanDerWaalsContact OD2-O 3.06Å; D1164-S1429 WeakPolarHBondContact OD2-CA 3.3Å; D1164-S1429 WeakPolarHBondContact OD2-CB 3.33Å; D1164-S1429 PolarHBondContact OD2-N 3.13Å
1165	N	38.4	Very low	34.1	Very low	100 Å²	100	115.5 Å²	115.5	54%	0.535	60%	0.598	S	S	.	*				153.2	126.5	122.4	-87.2	94.6	0	0	0	119.6	S1429	N1165-S1429 PolarHBondContact ND2-OG 3Å
1166	D	40.1	Very low	34	Very low	92 Å²	92	115.4 Å²	115.4	49%	0.492	60%	0.597	S	S	.	*			trans	48.8	142.7	140.3	-55.5	-29.1	0	0	0	129.4	S1429	D1166-S1429 WeakPolarHBondContact OD1-CB 2.89Å; D1166-S1429 PolarHBondContact OD1-OG 2.7Å; D1166-S1429 PolarHBondContact OD2-OG 3.28Å
1167	E	41	Very low	33.9	Very low	190 Å²	190	118.1 Å²	118.1	89%	0.888	60%	0.604	S	S	*	*			trans	-149.6	133.3	160.4	-176.4	-172.7	-92.2	0	0	110.4
1168	N	35.8	Very low	33.7	Very low	95 Å²	95	119.6 Å²	119.6	51%	0.508	61%	0.611	S	S	.	*			trans	-162.7	163.3	-167.3	-72.3	-58	0	0	0	112.4
1169	R	35.7	Very low	33.8	Very low	159 Å²	159	118.7 Å²	118.7	60%	0.6	61%	0.612	S	S	*	*			cis	-168.7	179.8	-10	-103.1	170.7	-157.9	171.9	14.2	110.9	E1430	R1169-E1430 IonicContact CZ-OE1 3.55Å; R1169-E1430 IonicContact CZ-OE2 2.59Å; R1169-E1430 IonicContact NH1-OE1 2.65Å; R1169-E1430 PolarHBondContact NH1-OE1 3.3Å; R1169-E1430 IonicContact NH1-OE2 2.72Å; R1169-E1430 IonicContact NH2-OE1 3.41Å; R1169-E1430 PolarHBondContact NH2-OE1 3.05Å; R1169-E1430 VanDerWaalsContact NH2-OE1 3.11Å; R1169-E1430 IonicContact NH2-OE2 2.75Å; R1169-E1430 PolarHBondContact NH2-OE2 3.13Å
1170	S	32.9	Very low	33.8	Very low	104 Å²	104	116.6 Å²	116.6	73%	0.727	61%	0.61	S	S	*	*			trans	92	151.8	161.9	81.6	0	0	0	0	121.2
1171	H	35.1	Very low	33.8	Very low	184 Å²	184	118.3 Å²	118.3	85%	0.852	62%	0.621	S	S	*	*			cis	-171.7	164.6	-35.9	-88.7	-40.2	0	0	0	108.2
1172	G	29.7	Very low	33.7	Very low	75 Å²	75	119.7 Å²	119.7	77%	0.773	64%	0.639	S	S	*	*			cis	150.9	110.8	-10.1	0	0	0	0	0	114.8
1173	R	33.4	Very low	33.6	Very low	250 Å²	250	128.5 Å²	128.5	94%	0.943	67%	0.674	S	S	*	*			trans	-145.4	159.9	162.6	-166.9	169.6	-177.3	-175.4	2	111
1174	S	28	Very low	33.6	Very low	92 Å²	92	132.1 Å²	132.1	64%	0.643	70%	0.696	S	S	*	*			trans	-62.1	142.7	-168	54.8	0	0	0	0	118
1175	T	31.9	Very low	33.2	Very low	121 Å²	121	133.6 Å²	133.6	74%	0.742	70%	0.698	S	S	*	*				-165.9	146.6	114.6	13.6	0	0	0	0	112.3
1176	N	29.3	Very low	32.8	Very low	139 Å²	139	132 Å²	132	74%	0.743	70%	0.699	S	S	*	*	S	Bend	trans	47.9	127.7	145.6	-58.7	-12.6	0	0	0	122.1
1177	Y	27.9	Very low	32.5	Very low	231 Å²	231	130 Å²	130	91%	0.906	69%	0.69	S	S	*	*			trans	57.5	92.2	160.1	-76.3	-81.7	0	0	0	119.9
1178	P	30.8	Very low	32	Very low	117 Å²	117	124.9 Å²	124.9	76%	0.76	68%	0.675	S	S	*	*			trans	-128.8	110.2	154.2	35.1	-19.9	0	0	0	113.6
1179	D	31.9	Very low	31.8	Very low	136 Å²	136	122.5 Å²	122.5	73%	0.727	67%	0.673	S	S	*	*			trans	-176.6	134.8	131.9	-107.4	-23.8	0	0	0	108.9	K1181	D1179-K1181 IonicContact OD1-NZ 3.86Å; D1179-K1181 PolarHBondContact OD1-NZ 3Å
1180	S	29.4	Very low	31.7	Very low	75 Å²	75	122.6 Å²	122.6	52%	0.524	67%	0.673	S	S	.	*			cis	70.9	121.6	21	119.9	0	0	0	0	113.1
1181	K	32.8	Very low	31.6	Very low	181 Å²	181	122.2 Å²	122.2	79%	0.787	66%	0.659	S	S	*	*			cis	-135.7	-176.5	4.8	-51.7	90.8	-179.3	143.9	0	107.6	D1179	D1179-K1181 IonicContact OD1-NZ 3.86Å; D1179-K1181 PolarHBondContact OD1-NZ 3Å
1182	A	32.9	Very low	31.5	Very low	94 Å²	94	119.3 Å²	119.3	78%	0.777	65%	0.645	S	S	*	*			cis	-157.7	160	10.4	0	0	0	0	0	112.1
1183	K	33.8	Very low	31.8	Very low	202 Å²	202	117.7 Å²	117.7	88%	0.878	62%	0.617	S	S	*	*			trans	-82.1	150.5	150	-53.8	175.7	179.4	177	0	106.9
1184	V	35.3	Very low	32	Very low	91 Å²	91	108 Å²	108	55%	0.552	59%	0.585	S	S	*	*			cis	-145.1	166.7	23.2	-173.9	0	0	0	0	109.7	S406 A408	S406-V1184 WeakPolarHBondContact O-CG1 3.17Å; A408-V1184 VanDerWaalsContact O-CG1 3.32Å; A408-V1184 WeakPolarHBondContact O-CG1 3.42Å
1185	Y	30.4	Very low	32.3	Very low	77 Å²	77	105 Å²	105	30%	0.302	56%	0.56	S	S	.	*			trans	-51.6	170.3	163.9	-71.5	-105.3	0	0	0	114.5	S406 I407 A408 F1264 H1267	S406-Y1185 CarbonylContact C-O 2.86Å; S406-Y1185 WeakPolarHBondContact CB-O 3.4Å; I407-Y1185 WeakPolarHBondContact CA-O 3.22Å; I407-Y1185 PolarHBondContact N-O 2.85Å; A408-Y1185 WeakPolarHBondContact O-CD2 3.35Å; Y1185-F1264 WeakPolarHBondContact OH-CD1 3.27Å; Y1185-H1267 AromaticContact CD1-CE1 3.93Å; Y1185-H1267 AromaticContact CE1-CE1 3.82Å
1186	A	29.7	Very low	32.5	Very low	66 Å²	66	106.9 Å²	106.9	55%	0.545	55%	0.554	S	S	.	*			trans	-109.7	147.5	-163.1	0	0	0	0	0	121.2	S406 I407	S406-A1186 WeakPolarHBondContact OG-CA 3.06Å; I407-A1186 VanDerWaalsContact CG1-O 3.32Å; I407-A1186 WeakPolarHBondContact CG1-O 3.05Å; I407-A1186 WeakPolarHBondContact CG2-O 3.27Å
1187	V	33.9	Very low	32.8	Very low	51 Å²	51	104.9 Å²	104.9	31%	0.309	54%	0.538	S	S	.	.			trans	-103.3	145.5	161.5	159.6	0	0	0	0	109.4	S406 I407 G1189 V1269	S406-V1187 PolarHBondContact OG-N 3.32Å; I407-V1187 HydrophobicContact CG2-CB 4.37Å; I407-V1187 HydrophobicContact CG2-CG2 3.4Å; V1187-G1189 VanDerWaalsContact CG1-N 3.34Å; V1187-V1269 HydrophobicContact CG1-CG2 4.14Å; V1187-V1269 HydrophobicContact CG2-CG2 4.3Å
1188	S	31.1	Very low	32.9	Very low	83 Å²	83	100.4 Å²	100.4	58%	0.58	53%	0.53	S	S	*	.			cis	102.2	10.3	2.5	-140.2	0	0	0	0	120.2	V1269	S1188-V1269 WeakPolarHBondContact O-CG2 3.03Å; S1188-V1269 WeakPolarHBondContact OG-CG1 3.38Å
1189	G	31.4	Very low	33.3	Very low	44 Å²	44	99.7 Å²	99.7	45%	0.454	53%	0.526	S	S	.	.			trans	-94.5	-22.3	-171.3	0	0	0	0	0	119.5	V1187	V1187-G1189 VanDerWaalsContact CG1-N 3.34Å
1190	R	33.8	Very low	33.4	Very low	161 Å²	161	98.6 Å²	98.6	61%	0.608	52%	0.524	S	S	*	.			trans	60.8	131.2	-158.8	-61.5	-174.8	178.6	-155.9	-4.6	112.8	P376	P376-R1190 PolarHBondContact O-NH1 2.91Å; P376-R1190 PolarHBondContact O-NH2 3.06Å
1191	F	31	Very low	33.3	Very low	97 Å²	97	101.5 Å²	101.5	43%	0.425	53%	0.534	S	S	.	.			cis	-136.6	-175.4	10.1	-111.2	-22.3	0	0	0	110	K1193	F1191-K1193 HydrophobicContact CE1-CD 4.32Å
1192	H	34.1	Very low	33.2	Very low	123 Å²	123	99 Å²	99	57%	0.569	53%	0.533	S	S	*	.			cis	-134.7	-137.1	20.2	-150.3	40.7	0	0	0	113.1	R1279 A1280 G1281	H1192-R1279 PolarHBondContact CE1-O 3.22Å; H1192-A1280 PolarHBondContact NE2-O 3.27Å; H1192-G1281 PolarHBondContact CD2-O 2.83Å; H1192-G1281 PolarHBondContact NE2-O 3.25Å
1193	K	34.9	Very low	33.1	Very low	41 Å²	41	99.9 Å²	99.9	18%	0.178	53%	0.529	C	S	.	.			trans	-149.2	175.9	-161.9	-77.4	172.8	178.1	168.7	0	108.7	S377 G378 Q379 F1191 G1281 Q1282	S377-K1193 PolarHBondContact O-NZ 3.16Å; G378-K1193 WeakPolarHBondContact O-CE 3.41Å; G378-K1193 PolarHBondContact O-NZ 3.48Å; Q379-K1193 WeakPolarHBondContact O-CE 3.33Å; Q379-K1193 PolarHBondContact O-NZ 3.03Å; F1191-K1193 HydrophobicContact CE1-CD 4.32Å; K1193-G1281 VanDerWaalsContact C-C 3.45Å; K1193-G1281 CarbonylContact C-O 3.31Å; K1193-G1281 VanDerWaalsContact C-O 3.23Å; K1193-G1281 VanDerWaalsContact CB-O 3.24Å; K1193-G1281 WeakPolarHBondContact CB-O 3.37Å; K1193-G1281 CarbonylContact O-C 3.33Å; K1193-G1281 VanDerWaalsContact O-C 3.27Å; K1193-Q1282 PolarHBondContact O-N 3.18Å
1194	T	38.1	Very low	32.8	Very low	46 Å²	46	94.7 Å²	94.7	28%	0.282	52%	0.515	S	S	.	.			cis	-172	121.7	-27	38.9	0	0	0	0	108.9	F380 Q1282 N1283	F380-T1194 WeakPolarHBondContact O-CG2 3.22Å; F380-T1194 PolarHBondContact O-OG1 3.43Å; T1194-Q1282 WeakPolarHBondContact O-CA 3.15Å; T1194-N1283 PolarHBondContact O-N 3.42Å
1195	Y	34.6	Very low	32.6	Very low	30 Å²	30	98.9 Å²	98.9	12%	0.118	53%	0.525	C	S	.	.			trans	-174.1	142.9	140.8	-102.3	-28.3	0	0	0	110.1	M381 N382 H383 Q1282 H1284	M381-Y1195 HydrophobicContact CB-CD1 4.38Å; M381-Y1195 HydrophobicContact CB-CE1 3.68Å; M381-Y1195 HydrophobicContact CB-CE2 3.92Å; M381-Y1195 WeakPolarHBondContact CB-OH 3.34Å; M381-Y1195 HydrophobicContact CG-CE1 4.47Å; M381-Y1195 HydrophobicContact CG-CE2 4.07Å; M381-Y1195 WeakPolarHBondContact CG-OH 3.46Å; M381-Y1195 VanDerWaalsContact O-CE1 3.26Å; M381-Y1195 WeakPolarHBondContact O-CE1 3.48Å; M381-Y1195 PolarHBondContact O-OH 3.46Å; M381-Y1195 HydrophobicContact SD-CE2 3.74Å; N382-Y1195 PolarHBondContact N-OH 3.32Å; N382-Y1195 PolarHBondContact O-OH 3.19Å; H383-Y1195 WeakPolarHBondContact CA-OH 3.02Å; H383-Y1195 PolarHBondContact N-OH 2.99Å; H383-Y1195 PolarHBondContact O-OH 3.44Å; Y1195-Q1282 HydrophobicContact CD2-CG 3.88Å; Y1195-Q1282 HydrophobicContact CE2-CG 4.14Å; Y1195-H1284 VanDerWaalsContact O-CB 3.3Å; Y1195-H1284 WeakPolarHBondContact O-CB 3.25Å; Y1195-H1284 PolarHBondContact O-ND1 2.86Å
1196	R	34.6	Very low	32.9	Very low	160 Å²	160	99.8 Å²	99.8	60%	0.604	54%	0.543	S	S	*	.			cis	69.2	118.6	26.5	-123.2	-168.1	-179	-171.1	1	112.4	H1284	R1196-H1284 PolarHBondContact O-CD2 2.95Å; R1196-H1284 VanDerWaalsContact O-CD2 3.24Å; R1196-H1284 PolarHBondContact O-NE2 2.79Å
1197	K	36.8	Very low	33.1	Very low	96 Å²	96	104.3 Å²	104.3	42%	0.417	55%	0.553	S	S	.	*			cis	-148.2	148.3	39.1	-77.9	-178.9	177.2	-179.1	0	113	H1284	K1197-H1284 PolarHBondContact N-NE2 2.82Å
1198	N	29.4	Very low	33.3	Very low	137 Å²	137	108.5 Å²	108.5	73%	0.733	57%	0.573	S	S	*	*			trans	64.2	164.6	130.6	-66.6	28.3	0	0	0	121.7
1199	P	40.1	Very low	33.4	Very low	103 Å²	103	111.2 Å²	111.2	67%	0.669	58%	0.581	S	S	*	*			cis	-134.1	-161.1	-20.7	29.5	-6.6	0	0	0	113.8
1200	T	33.9	Very low	33.5	Very low	113 Å²	113	115 Å²	115	69%	0.693	60%	0.595	S	S	*	*			trans	71.8	87.5	149.4	40.3	0	0	0	0	120.1
1201	N	26.3	Very low	33.2	Very low	136 Å²	136	116 Å²	116	73%	0.727	61%	0.607	S	S	*	*				44.7	132.3	108	-63.2	8.9	0	0	0	121.4
1202	T	30.8	Very low	33.7	Very low	127 Å²	127	116.7 Å²	116.7	78%	0.779	62%	0.621	S	S	*	*			trans	63.3	175	150.4	59.2	0	0	0	0	115.3
1203	T	30.8	Very low	33.5	Very low	113 Å²	113	118.2 Å²	118.2	69%	0.693	63%	0.628	S	S	*	*			cis	-144.9	162.4	9.3	53.3	0	0	0	0	109.5
1204	T	28.3	Very low	33.5	Very low	93 Å²	93	122.5 Å²	122.5	57%	0.571	65%	0.652	S	S	*	*			cis	-171.2	-174.6	-27.5	40.6	0	0	0	0	106.1
1205	K	31.1	Very low	33.3	Very low	179 Å²	179	126.5 Å²	126.5	78%	0.778	67%	0.671	S	S	*	*			trans	83.6	152.9	166.4	-55.2	129.3	-178.9	177.8	0	115.9
1206	S	35.7	Very low	33.3	Very low	96 Å²	96	130.6 Å²	130.6	67%	0.671	70%	0.7	S	S	*	*			cis	-86.6	127.5	10.3	46.6	0	0	0	0	113.8
1207	E	35	Very low	33.4	Very low	162 Å²	162	130.4 Å²	130.4	76%	0.757	71%	0.706	S	S	*	*				87.6	143.7	90.5	-71.6	156.4	-170.7	0	0	112.4
1208	L	37	Very low	33.4	Very low	138 Å²	138	132.9 Å²	132.9	72%	0.723	72%	0.719	S	S	*	*			cis	-151.7	145	14.6	-130.7	159.8	0	0	0	109.7
1209	N	33	Very low	33.7	Very low	141 Å²	141	132.3 Å²	132.3	75%	0.754	72%	0.72	S	S	*	*			trans	46.6	139	156.8	-80	4.2	0	0	0	121.4
1210	T	35.3	Very low	33.6	Very low	123 Å²	123	131.3 Å²	131.3	76%	0.755	72%	0.72	S	S	*	*			cis	-149.3	155.7	10.9	-42	0	0	0	0	110.5
1211	Q	25.9	Very low	33.6	Very low	182 Å²	182	134.8 Å²	134.8	85%	0.85	73%	0.726	S	S	*	*			trans	-144	126.2	161.9	-166.5	-174.6	33.2	0	0	110.3
1212	P	42.8	Very low	34	Very low	111 Å²	111	134.9 Å²	134.9	72%	0.721	73%	0.725	S	S	*	*				-126.2	152	121.4	36.3	-29.8	0	0	0	109.9
1213	H	29	Very low	34.2	Very low	156 Å²	156	133.5 Å²	133.5	72%	0.722	72%	0.717	S	S	*	*			cis	91.1	107	32	-159.4	-108.6	0	0	0	113.7
1214	I	34.5	Very low	34.4	Very low	130 Å²	130	135 Å²	135	67%	0.667	72%	0.72	S	S	*	*			trans	67.1	150.4	173.5	9.9	178.4	0	0	0	121.6
1215	D	33.9	Very low	34.7	Very low	130 Å²	130	136.4 Å²	136.4	70%	0.695	72%	0.724	S	S	*	*			trans	72.1	99.8	155.2	-56.2	-32.1	0	0	0	122.1
1216	T	36	Very low	34.9	Very low	117 Å²	117	132.1 Å²	132.1	72%	0.718	72%	0.716	S	S	*	*				81.8	112.8	121.9	-51.3	0	0	0	0	120.6
1217	E	34.9	Very low	34.9	Very low	155 Å²	155	133.5 Å²	133.5	72%	0.724	72%	0.721	S	S	*	*			trans	75.5	123.3	150.6	-72.8	-162.7	115.8	0	0	124.6
1218	Q	38.1	Very low	34.9	Very low	148 Å²	148	132.8 Å²	132.8	69%	0.692	72%	0.722	S	S	*	*				70.2	112.5	128.7	-66	-155.7	60.5	0	0	124.4
1219	V	35.4	Very low	34.7	Very low	126 Å²	126	130.9 Å²	130.9	76%	0.764	72%	0.721	S	S	*	*				90.5	135.4	116.4	168.4	0	0	0	0	122.5
1220	A	37.2	Very low	34.7	Very low	81 Å²	81	131.9 Å²	131.9	67%	0.669	72%	0.721	S	S	*	*			trans	94.9	140.6	146	0	0	0	0	0	124.2
1221	K	35.2	Very low	34.8	Very low	187 Å²	187	130.7 Å²	130.7	81%	0.813	71%	0.709	S	S	*	*			trans	75.5	144.2	145.3	-82.1	-172.2	171.3	-172	0	119.7
1222	L	34	Very low	35.2	Very low	137 Å²	137	128 Å²	128	72%	0.717	70%	0.697	S	S	*	*			cis	-172.2	176.5	-14.8	-137	-177.6	0	0	0	111
1223	T	35.8	Very low	34.9	Very low	99 Å²	99	125.9 Å²	125.9	61%	0.607	69%	0.694	S	S	*	*			trans	99.8	103.1	141.9	-60.9	0	0	0	0	121.7
1224	L	35.2	Very low	35.3	Very low	145 Å²	145	125.5 Å²	125.5	76%	0.759	70%	0.696	S	S	*	*			trans	63	152.5	136	-57.5	178.9	0	0	0	121.3
1225	D	34.4	Very low	35.4	Very low	122 Å²	122	126.2 Å²	126.2	65%	0.652	70%	0.701	S	S	*	*			cis	-153.2	155.6	4.9	-135.6	-35.6	0	0	0	117.2
1226	S	33.9	Very low	36.3	Very low	88 Å²	88	127.8 Å²	127.8	62%	0.615	71%	0.71	S	S	*	*			trans	49.7	104.3	141.3	-76.8	0	0	0	0	124.4
1227	T	36.9	Very low	36.4	Very low	126 Å²	126	127.1 Å²	127.1	77%	0.773	71%	0.708	S	S	*	*				171	139	87.4	30.9	0	0	0	0	116
1228	N	33.9	Very low	36.3	Very low	146 Å²	146	128.7 Å²	128.7	78%	0.781	72%	0.715	S	S	*	*			trans	60.5	100.3	152.1	-62.4	-5.3	0	0	0	123.6
1229	S	33.7	Very low	36.2	Very low	99 Å²	99	128.3 Å²	128.3	69%	0.692	72%	0.722	S	S	*	*				31.6	131.7	124.1	-39.5	0	0	0	0	121.2
1230	Q	33.2	Very low	36.5	Very low	162 Å²	162	127.5 Å²	127.5	76%	0.757	72%	0.719	S	S	*	*			cis	76	135	27.3	-151.5	-167.1	19.7	0	0	115
1231	I	36.6	Very low	36.5	Very low	98 Å²	98	129.2 Å²	129.2	50%	0.503	72%	0.722	S	S	.	*				160.3	158.8	124.3	-78.8	154	0	0	0	115.1	V1244	I1231-V1244 HydrophobicContact CB-CG1 4.44Å; I1231-V1244 HydrophobicContact CD1-CG1 4.22Å; I1231-V1244 HydrophobicContact CD1-CG2 3.52Å; I1231-V1244 HydrophobicContact CG1-CB 4.37Å; I1231-V1244 HydrophobicContact CG1-CG1 3.65Å; I1231-V1244 HydrophobicContact CG1-CG2 3.81Å; I1231-V1244 HydrophobicContact CG2-CB 4.34Å; I1231-V1244 HydrophobicContact CG2-CG1 4.08Å; I1231-V1244 HydrophobicContact CG2-CG2 3.87Å
1232	E	35.6	Very low	36.5	Very low	126 Å²	126	125.8 Å²	125.8	59%	0.589	72%	0.716	S	S	*	*			trans	-97.1	-178.5	-159.9	-51.4	151.5	139.6	0	0	117.1	V1244	E1232-V1244 WeakPolarHBondContact OE2-CG1 3.2Å
1233	G	35.4	Very low	36.6	Very low	65 Å²	65	129.4 Å²	129.4	67%	0.67	72%	0.72	S	S	*	*			trans	150.2	128.3	169	0	0	0	0	0	111.2
1234	I	38.4	Very low	36.3	Very low	149 Å²	149	126.9 Å²	126.9	76%	0.764	71%	0.705	S	S	*	*			cis	64	112.1	21.4	-50.8	-179.9	0	0	0	111
1235	D	36.2	Very low	36.6	Very low	144 Å²	144	125.3 Å²	125.3	77%	0.77	70%	0.704	S	S	*	*			cis	-131.5	175.3	0.1	-86.5	-48.5	0	0	0	111.1
1236	D	52.1	Low	36.6	Very low	164 Å²	164	123.6 Å²	123.6	88%	0.877	71%	0.706	S	S	*	*	S	Bend	trans	-74.5	136.9	156.1	-96.8	-43.8	0	0	0	109.1
1237	P	38.3	Very low	36.8	Very low	103 Å²	103	124.2 Å²	124.2	67%	0.669	71%	0.71	S	S	*	*	S	Bend	cis	-116.6	179.6	4.6	42.9	-32.1	0	0	0	113.9
1238	E	33.6	Very low	36.7	Very low	188 Å²	188	125.4 Å²	125.4	88%	0.879	71%	0.712	S	S	*	*	S	Bend	trans	57.9	101.7	166.1	-62	-164.3	138.5	0	0	118.1
1239	V	35.6	Very low	36.8	Very low	139 Å²	139	123.9 Å²	123.9	84%	0.842	71%	0.713	S	S	*	*			trans	-34.7	140.1	157.9	177.5	0	0	0	0	113.1
1240	P	40.6	Very low	36.9	Very low	109 Å²	109	124.8 Å²	124.8	71%	0.708	71%	0.714	S	S	*	*			cis	-134.7	-172.6	7.6	27.6	-3.3	0	0	0	116.1
1241	T	38.3	Very low	37	Very low	118 Å²	118	124 Å²	124	72%	0.724	71%	0.714	S	S	*	*			trans	113.2	98.1	138.7	-40.9	0	0	0	0	119.5
1242	V	35	Very low	36.8	Very low	115 Å²	115	126.6 Å²	126.6	70%	0.697	73%	0.725	S	S	*	*			trans	80.8	122.1	139.4	174.2	0	0	0	0	122.3
1243	R	35.3	Very low	36.7	Very low	212 Å²	212	126.9 Å²	126.9	80%	0.8	73%	0.731	S	S	*	*			trans	87.5	122	149.9	-86.5	168.4	-175.7	156.8	-0.6	123.6
1244	V	30.9	Very low	36.4	Very low	46 Å²	46	127.1 Å²	127.1	28%	0.279	73%	0.726	S	S	.	*			trans	-32.6	173	138.6	-105.5	0	0	0	0	117.4	I1231 E1232	I1231-V1244 HydrophobicContact CB-CG1 4.44Å; I1231-V1244 HydrophobicContact CD1-CG1 4.22Å; I1231-V1244 HydrophobicContact CD1-CG2 3.52Å; I1231-V1244 HydrophobicContact CG1-CB 4.37Å; I1231-V1244 HydrophobicContact CG1-CG1 3.65Å; I1231-V1244 HydrophobicContact CG1-CG2 3.81Å; I1231-V1244 HydrophobicContact CG2-CB 4.34Å; I1231-V1244 HydrophobicContact CG2-CG1 4.08Å; I1231-V1244 HydrophobicContact CG2-CG2 3.87Å; E1232-V1244 WeakPolarHBondContact OE2-CG1 3.2Å
1245	P	40.1	Very low	36	Very low	113 Å²	113	127.1 Å²	127.1	73%	0.734	72%	0.723	S	S	*	*			cis	-141.8	173.8	-0.8	29.2	-6.8	0	0	0	118.2
1246	A	35.9	Very low	35.8	Very low	86 Å²	86	129.9 Å²	129.9	71%	0.711	72%	0.724	S	S	*	*			trans	-156.6	87.3	148.5	0	0	0	0	0	116.7
1247	S	37.4	Very low	34.8	Very low	100 Å²	100	127 Å²	127	70%	0.699	71%	0.713	S	S	*	*			trans	14.3	119.6	148.8	57.5	0	0	0	0	124.2
1248	D	34.7	Very low	34.6	Very low	152 Å²	152	131.1 Å²	131.1	81%	0.813	72%	0.72	S	S	*	*				48.1	122.5	121.4	-58.4	-47.1	0	0	0	124.3
1249	S	36.4	Very low	34.4	Very low	113 Å²	113	128.8 Å²	128.8	79%	0.79	71%	0.711	S	S	*	*				166.1	149.8	100.6	51.2	0	0	0	0	112.8
1250	V	35.5	Very low	34	Very low	118 Å²	118	129.6 Å²	129.6	72%	0.715	70%	0.699	S	S	*	*			cis	-158.5	131.6	-13.7	125	0	0	0	0	109.6
1251	I	35.9	Very low	33.6	Very low	147 Å²	147	129.4 Å²	129.4	75%	0.754	70%	0.695	S	S	*	*			trans	53.8	135.5	145.4	-59.4	178.9	0	0	0	120.5
1252	M	32.3	Very low	33.1	Very low	151 Å²	151	130.9 Å²	130.9	74%	0.744	70%	0.699	S	S	*	*			cis	-173	162.1	-18	-103.1	-111.8	-165	0	0	110.8
1253	N	31.9	Very low	32.8	Very low	133 Å²	133	135.5 Å²	135.5	71%	0.711	70%	0.704	S	S	*	*			trans	4.3	153.8	134.7	-80.8	-44.3	0	0	0	120.7
1254	A	30.6	Very low	32.8	Very low	69 Å²	69	132.1 Å²	132.1	57%	0.57	70%	0.695	S	S	*	*			cis	-166.7	166.6	4.6	0	0	0	0	0	112.5
1255	Q	29.3	Very low	32.8	Very low	150 Å²	150	132.2 Å²	132.2	70%	0.701	70%	0.701	S	S	*	*			trans	35.2	132.2	137.6	-54.1	168	21	0	0	118.1
1256	Y	31.9	Very low	32.4	Very low	202 Å²	202	132.3 Å²	132.3	79%	0.792	70%	0.7	S	S	*	*				-154.5	154.9	75.4	-116.8	-100.6	0	0	0	116
1257	T	32.2	Very low	32.1	Very low	103 Å²	103	131.1 Å²	131.1	63%	0.632	68%	0.679	S	S	*	*			trans	-44.9	156.2	-173.1	58.7	0	0	0	0	120.6
1258	K	34	Very low	32	Very low	189 Å²	189	131 Å²	131	82%	0.822	67%	0.666	S	S	*	*			trans	71.7	92.1	142.6	-77.4	170.7	-179.7	175.1	0	119.1
1259	M	28.7	Very low	31.8	Very low	139 Å²	139	126.4 Å²	126.4	69%	0.685	64%	0.644	S	S	*	*				43.8	98.4	112.3	-73.5	-67	171.9	0	0	118.3
1260	R	28.2	Very low	31.6	Very low	157 Å²	157	126.6 Å²	126.6	59%	0.592	64%	0.635	S	S	*	*				44.9	106.1	121.6	-85.4	-172.9	161.2	160.1	-1.6	118.2	S369	S369-R1260 PolarHBondContact OG-NH2 3Å
1261	T	30.5	Very low	31.6	Very low	104 Å²	104	122.6 Å²	122.6	64%	0.638	62%	0.618	S	S	*	*				38.1	124.4	113	64.1	0	0	0	0	117.3
1262	N	28.1	Very low	31.4	Very low	149 Å²	149	120.6 Å²	120.6	80%	0.797	61%	0.612	S	S	*	*			cis	-151.8	135	47.2	-78.2	-80	0	0	0	112.1
1263	R	30.2	Very low	31.5	Very low	212 Å²	212	117 Å²	117	80%	0.8	60%	0.602	S	S	*	*			trans	-98.3	142.3	156.2	-154	-177.3	-67.9	-177.1	0.6	108
1264	F	33.8	Very low	31.7	Very low	141 Å²	141	117 Å²	117	62%	0.618	60%	0.596	S	S	*	*	S	Bend	trans	66.5	64.3	178.6	-50.6	-53.1	0	0	0	116.4	Y1185	Y1185-F1264 WeakPolarHBondContact OH-CD1 3.27Å
1265	A	31.4	Very low	31.7	Very low	48 Å²	48	123.2 Å²	123.2	40%	0.397	61%	0.605	S	S	.	*				34.1	111.2	102.3	0	0	0	0	0	116.8	H1267	A1265-H1267 WeakPolarHBondContact CB-NE2 3.13Å; A1265-H1267 PolarHBondContact O-CE1 2.97Å; A1265-H1267 PolarHBondContact O-NE2 3.09Å
1266	T	31.1	Very low	31.7	Very low	116 Å²	116	121.1 Å²	121.1	71%	0.712	60%	0.601	S	S	*	*			trans	-121.4	154.1	138.5	66.8	0	0	0	0	107.4	I407	I407-T1266 HydrophobicContact CD1-CG2 3.91Å
1267	H	31.1	Very low	31.6	Very low	61 Å²	61	115.5 Å²	115.5	28%	0.282	59%	0.592	S	S	.	*			cis	135.6	-114.2	4.1	70.7	73.1	0	0	0	111	I407 A408 G410 Y1185 A1265	I407-H1267 HydrophobicContact CD1-CB 4.3Å; I407-H1267 WeakPolarHBondContact CD1-ND1 3.1Å; A408-H1267 HydrophobicContact CB-CB 4.03Å; G410-H1267 PolarHBondContact N-NE2 3.2Å; Y1185-H1267 AromaticContact CD1-CE1 3.93Å; Y1185-H1267 AromaticContact CE1-CE1 3.82Å; A1265-H1267 WeakPolarHBondContact CB-NE2 3.13Å; A1265-H1267 PolarHBondContact O-CE1 2.97Å; A1265-H1267 PolarHBondContact O-NE2 3.09Å
1268	K	34.8	Very low	31.4	Very low	97 Å²	97	115.5 Å²	115.5	42%	0.422	59%	0.588	S	S	.	*			trans	-152.3	153	-164.1	-81.4	-178.8	-170.5	170	0	108	I407 L1270	I407-K1268 HydrophobicContact CB-CB 4.12Å; I407-K1268 HydrophobicContact CB-CD 4.23Å; I407-K1268 HydrophobicContact CG2-CB 3.5Å; I407-K1268 VanDerWaalsContact CG2-CB 3.5Å; I407-K1268 HydrophobicContact CG2-CD 4.11Å; I407-K1268 HydrophobicContact CG2-CG 4.35Å; I407-K1268 WeakPolarHBondContact O-CD 3.37Å; I407-K1268 PolarHBondContact O-NZ 3.43Å; K1268-L1270 HydrophobicContact CB-CB 3.79Å; K1268-L1270 HydrophobicContact CB-CD1 4.41Å; K1268-L1270 HydrophobicContact CD-CB 4.27Å; K1268-L1270 HydrophobicContact CG-CB 3.8Å; K1268-L1270 HydrophobicContact CG-CD1 4.03Å
1269	V	29.5	Very low	31.4	Very low	56 Å²	56	116.1 Å²	116.1	34%	0.339	59%	0.585	S	S	.	*				-161.6	121.8	91	58.3	0	0	0	0	112.1	V1187 S1188 G1271	V1187-V1269 HydrophobicContact CG1-CG2 4.14Å; V1187-V1269 HydrophobicContact CG2-CG2 4.3Å; S1188-V1269 WeakPolarHBondContact O-CG2 3.03Å; S1188-V1269 WeakPolarHBondContact OG-CG1 3.38Å; V1269-G1271 VanDerWaalsContact CG2-C 3.44Å; V1269-G1271 WeakPolarHBondContact CG2-O 3.37Å
1270	L	31.9	Very low	31.4	Very low	117 Å²	117	110.8 Å²	110.8	61%	0.613	56%	0.563	S	S	*	*			cis	71.2	64	-13.4	-42.9	178.5	0	0	0	116.1	K1268	K1268-L1270 HydrophobicContact CB-CB 3.79Å; K1268-L1270 HydrophobicContact CB-CD1 4.41Å; K1268-L1270 HydrophobicContact CD-CB 4.27Å; K1268-L1270 HydrophobicContact CG-CB 3.8Å; K1268-L1270 HydrophobicContact CG-CD1 4.03Å
1271	G	35.9	Very low	31.6	Very low	34 Å²	34	103.7 Å²	103.7	35%	0.351	54%	0.539	S	S	.	.			cis	-109.7	144.7	-2.1	0	0	0	0	0	112.2	V1269	V1269-G1271 VanDerWaalsContact CG2-C 3.44Å; V1269-G1271 WeakPolarHBondContact CG2-O 3.37Å
1272	T	32.9	Very low	31.8	Very low	104 Å²	104	101.9 Å²	101.9	64%	0.638	52%	0.524	S	S	*	.			cis	42.9	126	45.1	74.6	0	0	0	0	111.5
1273	S	34.5	Very low	32.1	Very low	76 Å²	76	99 Å²	99	53%	0.531	51%	0.508	S	S	.	.			cis	-161.2	167.7	17.3	-138.9	0	0	0	0	108.3
1274	K	35.8	Very low	32.3	Very low	133 Å²	133	93.3 Å²	93.3	58%	0.578	49%	0.49	S	S	*	.			cis	-138.1	151.1	24	-57.9	164.9	-174.8	164.1	0	110.8	P398 E442	P398-K1274 HydrophobicContact CG-CB 4.24Å; E442-K1274 IonicContact OE1-NZ 3.11Å; E442-K1274 PolarHBondContact OE1-NZ 2.75Å
1275	R	30.3	Very low	32.2	Very low	200 Å²	200	93.7 Å²	93.7	76%	0.755	49%	0.494	S	S	*	.			trans	-51.4	148.1	151.2	-122.4	-170.6	172	-172.2	0	106.9
1276	V	29.9	Very low	32	Very low	105 Å²	105	96.5 Å²	96.5	64%	0.636	51%	0.511	S	S	*	.			cis	-146.9	162.2	22.7	-125.6	0	0	0	0	107.5
1277	S	28.7	Very low	32.1	Very low	84 Å²	84	100.5 Å²	100.5	59%	0.587	52%	0.518	S	S	*	.			cis	-154.7	172.7	4.6	-160	0	0	0	0	111.6
1278	N	27.9	Very low	31.9	Very low	104 Å²	104	109.2 Å²	109.2	56%	0.556	55%	0.549	S	S	*	.			trans	73.3	157	150.4	-97.6	-17.4	0	0	0	123.7
1279	R	33.5	Very low	31.6	Very low	201 Å²	201	111.5 Å²	111.5	76%	0.758	57%	0.565	S	S	*	*			trans	60.4	110.4	146.4	-168	166.6	-85.2	-179.1	-6.8	121.5	H1192	H1192-R1279 PolarHBondContact CE1-O 3.22Å
1280	A	30.1	Very low	31.4	Very low	27 Å²	27	115.8 Å²	115.8	22%	0.223	59%	0.586	C	S	.	*			trans	37.2	151.3	132.9	0	0	0	0	0	124	F380 H1192	F380-A1280 HydrophobicContact CB-CB 4.12Å; F380-A1280 HydrophobicContact CD2-CB 4.01Å; F380-A1280 HydrophobicContact CG-CB 4.48Å; H1192-A1280 PolarHBondContact NE2-O 3.27Å
1281	G	31.4	Very low	31.2	Very low	9 Å²	9	114 Å²	114	9%	0.093	60%	0.596	C	S	.	*			trans	81.3	160.9	151.5	0	0	0	0	0	117.1	H1192 K1193	H1192-G1281 PolarHBondContact CD2-O 2.83Å; H1192-G1281 PolarHBondContact NE2-O 3.25Å; K1193-G1281 VanDerWaalsContact C-C 3.45Å; K1193-G1281 CarbonylContact C-O 3.31Å; K1193-G1281 VanDerWaalsContact C-O 3.23Å; K1193-G1281 VanDerWaalsContact CB-O 3.24Å; K1193-G1281 WeakPolarHBondContact CB-O 3.37Å; K1193-G1281 CarbonylContact O-C 3.33Å; K1193-G1281 VanDerWaalsContact O-C 3.27Å
1282	Q	35.4	Very low	30.6	Very low	66 Å²	66	115.1 Å²	115.1	31%	0.308	60%	0.598	S	S	.	*			cis	-157.9	156.1	-26.8	-151.3	-173	-43.9	0	0	110.3	M381 K1193 T1194 Y1195	M381-Q1282 HydrophobicContact CE-CB 4.24Å; M381-Q1282 HydrophobicContact CE-CG 3.72Å; M381-Q1282 HydrophobicContact SD-CG 3.67Å; M381-Q1282 PolarHBondContact SD-OE1 3.47Å; K1193-Q1282 PolarHBondContact O-N 3.18Å; T1194-Q1282 WeakPolarHBondContact O-CA 3.15Å; Y1195-Q1282 HydrophobicContact CD2-CG 3.88Å; Y1195-Q1282 HydrophobicContact CE2-CG 4.14Å
1283	N	35.1	Very low	30.6	Very low	89 Å²	89	114.7 Å²	114.7	48%	0.476	60%	0.595	S	S	.	*			trans	68.5	140.4	169.1	-57.9	-27.9	0	0	0	114.4	T1194	T1194-N1283 PolarHBondContact O-N 3.42Å
1284	H	33.3	Very low	30.2	Very low	91 Å²	91	114.6 Å²	114.6	42%	0.421	59%	0.588	S	S	.	*			cis	79.2	143.9	20.9	-147.2	26.9	0	0	0	114	Y1195 R1196 K1197	Y1195-H1284 VanDerWaalsContact O-CB 3.3Å; Y1195-H1284 WeakPolarHBondContact O-CB 3.25Å; Y1195-H1284 PolarHBondContact O-ND1 2.86Å; R1196-H1284 PolarHBondContact O-CD2 2.95Å; R1196-H1284 VanDerWaalsContact O-CD2 3.24Å; R1196-H1284 PolarHBondContact O-NE2 2.79Å; K1197-H1284 PolarHBondContact N-NE2 2.82Å
1285	Q	32.6	Very low	29.8	Very low	149 Å²	149	112 Å²	112	70%	0.696	58%	0.578	S	S	*	*			trans	62.3	81.7	169.9	-49.7	-161	8.4	0	0	116.3
1286	S	27.1	Very low	29.8	Very low	107 Å²	107	106.1 Å²	106.1	75%	0.748	56%	0.564	S	S	*	*				15.6	149.8	95.4	-38.7	0	0	0	0	117.8
1287	K	32.5	Very low	30.3	Very low	200 Å²	200	105.2 Å²	105.2	87%	0.87	56%	0.559	S	S	*	*			trans	81.3	67.8	177.4	-49.8	178.3	-179.5	179.9	0	115.3
1288	R	27.4	Very low	30.4	Very low	245 Å²	245	106.9 Å²	106.9	93%	0.925	55%	0.553	S	S	*	*				-150.3	157.4	99.4	-114	173.4	172.1	-173.2	-4.9	114
1289	L	28.1	Very low	30.6	Very low	144 Å²	144	105.5 Å²	105.5	75%	0.754	54%	0.54	S	S	*	.			trans	-59	150.3	-164.4	-67.4	142	0	0	0	115.5
1290	N	25.8	Very low	30.3	Very low	146 Å²	146	100.5 Å²	100.5	78%	0.781	52%	0.521	S	S	*	.			trans	48.9	84.8	145.5	-59.8	8.4	0	0	0	117.8
1291	G	27	Very low	30.8	Very low	80 Å²	80	109.8 Å²	109.8	83%	0.825	55%	0.55	S	S	*	*			trans	-99.1	56.4	161	0	0	0	0	0	113
1292	S	24.4	Very low	31.2	Very low	58 Å²	58	117.7 Å²	117.7	41%	0.406	59%	0.585	S	S	.	*			trans	-115.9	135.1	160	177.3	0	0	0	0	106.9	S1428	S1292-S1428 VanDerWaalsContact OG-CB 3.25Å; S1292-S1428 WeakPolarHBondContact OG-CB 3.09Å
1293	V	32.8	Very low	31.3	Very low	94 Å²	94	123.8 Å²	123.8	57%	0.57	62%	0.616	S	S	*	*			trans	55.3	89.9	-164.9	-164	0	0	0	0	111.8
1294	I	25.9	Very low	31.5	Very low	75 Å²	75	130 Å²	130	39%	0.385	63%	0.633	S	S	.	*			cis	68.4	163.5	25.8	-35.4	158.6	0	0	0	111.9	V1161 A1162	V1161-I1294 HydrophobicContact CG1-CG2 3.85Å; V1161-I1294 WeakPolarHBondContact O-CG2 3.27Å; A1162-I1294 HydrophobicContact CB-CG2 3.57Å; A1162-I1294 CarbonylContact O-C 3.33Å; A1162-I1294 WeakPolarHBondContact O-CB 3.34Å; A1162-I1294 WeakPolarHBondContact O-CG2 3.43Å
1295	H	27.2	Very low	31.7	Very low	79 Å²	79	130.4 Å²	130.4	37%	0.366	64%	0.638	S	S	.	*			trans	92.3	136.3	-173.6	-101.7	-7.9	0	0	0	116.4	V1161 A1162 S1163 G1425	V1161-H1295 WeakPolarHBondContact O-CA 3.5Å; V1161-H1295 PolarHBondContact O-N 3.29Å; A1162-H1295 WeakPolarHBondContact CA-ND1 3.14Å; A1162-H1295 PolarHBondContact N-ND1 2.73Å; A1162-H1295 VanDerWaalsContact N-ND1 3.12Å; A1162-H1295 VanDerWaalsContact O-CA 3.27Å; A1162-H1295 WeakPolarHBondContact O-CA 3.34Å; A1162-H1295 WeakPolarHBondContact O-CB 3.47Å; A1162-H1295 PolarHBondContact O-N 3.45Å; A1162-H1295 PolarHBondContact O-ND1 3.33Å; S1163-H1295 PolarHBondContact O-CD2 2.93Å; S1163-H1295 PolarHBondContact O-NE2 2.96Å; H1295-G1425 PolarHBondContact CE1-O 3.27Å
1296	T	29	Very low	31.9	Very low	76 Å²	76	133.2 Å²	133.2	47%	0.466	64%	0.642	S	S	.	*			cis	-151.1	135.2	13.3	-24.3	0	0	0	0	114.8	Y1160 R1298	Y1160-T1296 CarbonylContact O-C 3.52Å; Y1160-T1296 WeakPolarHBondContact O-CA 3.17Å; Y1160-T1296 PolarHBondContact O-N 3.1Å; Y1160-T1296 VanDerWaalsContact O-N 3.13Å; T1296-R1298 HydrophobicContact CG2-CG 3.94Å
1297	T	40.7	Very low	32.1	Very low	86 Å²	86	137.5 Å²	137.5	53%	0.528	64%	0.643	S	S	.	*			trans	-178.2	151.6	137.4	20.1	0	0	0	0	112.9	Y1160 V1161	Y1160-T1297 PolarHBondContact N-OG1 3.12Å; Y1160-T1297 PolarHBondContact O-N 3.45Å; V1161-T1297 PolarHBondContact N-O 2.78Å
1298	R	30.8	Very low	32.2	Very low	119 Å²	119	133.7 Å²	133.7	45%	0.449	63%	0.632	S	S	.	*				-164.8	111.8	-71.6	-119.1	-160.5	160.1	-147.7	-8.5	111.1	T1296 S1423 E1424 S2390	T1296-R1298 HydrophobicContact CG2-CG 3.94Å; R1298-S1423 VanDerWaalsContact CZ-C 3.46Å; R1298-S1423 PolarHBondContact NE-O 3.27Å; R1298-S1423 VanDerWaalsContact NH1-N 3.2Å; R1298-S1423 PolarHBondContact NH1-O 2.9Å; R1298-S1423 VanDerWaalsContact NH1-O 3.1Å; R1298-S1423 PolarHBondContact NH2-O 2.93Å; R1298-S1423 WeakPolarHBondContact O-CB 3.32Å; R1298-S1423 PolarHBondContact O-OG 2.57Å; R1298-E1424 CarbonylContact C-O 3.26Å; R1298-E1424 WeakPolarHBondContact CA-O 3.37Å; R1298-S2390 PolarHBondContact NH1-O 3.33Å
1299	R	32.3	Very low	32.5	Very low	75 Å²	75	127.2 Å²	127.2	28%	0.283	62%	0.616	S	S	.	*			trans	39.5	-163.9	176.2	-115.1	-161.5	-102.7	111.5	-5.5	116.6	S1423 E1424 I2389	R1299-S1423 WeakPolarHBondContact CB-OG 3.03Å; R1299-E1424 HydrophobicContact CB-CB 4.38Å; R1299-E1424 HydrophobicContact CG-CB 4.04Å; R1299-E1424 IonicContact CZ-OE1 3.34Å; R1299-E1424 IonicContact CZ-OE2 3.71Å; R1299-E1424 PolarHBondContact N-O 2.87Å; R1299-E1424 VanDerWaalsContact NE-CB 3.33Å; R1299-E1424 IonicContact NE-OE1 3.76Å; R1299-E1424 PolarHBondContact NE-OE1 2.88Å; R1299-E1424 IonicContact NE-OE2 3.17Å; R1299-E1424 PolarHBondContact NE-OE2 2.86Å; R1299-E1424 VanDerWaalsContact NH2-CB 3.29Å; R1299-E1424 IonicContact NH2-OE1 2.72Å; R1299-E1424 PolarHBondContact NH2-OE1 2.71Å; R1299-E1424 IonicContact NH2-OE2 3.8Å; R1299-I2389 VanDerWaalsContact CZ-O 3.31Å; R1299-I2389 PolarHBondContact NH1-O 3.22Å; R1299-I2389 PolarHBondContact NH2-O 3.01Å
1300	Y	26.5	Very low	32.9	Very low	95 Å²	95	129.4 Å²	129.4	37%	0.373	62%	0.622	S	S	.	*			cis	-143.1	163	2.5	-132.4	-53.3	0	0	0	111.8	T1421	Y1300-T1421 WeakPolarHBondContact CD2-O 3.5Å; Y1300-T1421 WeakPolarHBondContact CE2-O 3.27Å
1301	R	41.1	Very low	33.8	Very low	222 Å²	222	131.8 Å²	131.8	84%	0.838	63%	0.626	S	S	*	*	S	Bend	trans	71.6	114.6	179.2	-59.8	-167.3	-173.7	-160.8	3.4	113.2
1302	E	41.1	Very low	34.3	Very low	176 Å²	176	135.4 Å²	135.4	82%	0.822	63%	0.626	S	S	*	*			cis	-146.9	129.6	9.8	-164.9	164.3	-119.7	0	0	111.6
1303	M	36.4	Very low	34.7	Very low	193 Å²	193	135.7 Å²	135.7	95%	0.951	64%	0.638	S	S	*	*			trans	-137.6	99.3	162.7	-94	-69.8	-84.1	0	0	107
1304	R	38.5	Very low	34.5	Very low	221 Å²	221	139.2 Å²	139.2	83%	0.834	65%	0.654	S	S	*	*			trans	-143.7	152.7	164.7	-129.9	-170.2	-173.7	145.7	4.7	108.6
1305	D	37.8	Very low	35.2	Very low	98 Å²	98	139.7 Å²	139.7	52%	0.524	68%	0.677	S	S	.	*			trans	64.6	84.8	159.8	-76.7	46.1	0	0	0	119.7
1306	R	36.5	Very low	36	Very low	208 Å²	208	139.1 Å²	139.1	79%	0.785	69%	0.693	S	S	*	*				96.8	114.3	122.9	-71.3	-179.8	-97.2	171.6	-6.8	117.2
1307	Y	32	Very low	36.1	Very low	198 Å²	198	140.1 Å²	140.1	78%	0.776	71%	0.709	S	S	*	*				78.3	124.4	60	-91.6	-123.8	0	0	0	112.5
1308	N	33.9	Very low	35.6	Very low	120 Å²	120	140.8 Å²	140.8	64%	0.642	72%	0.723	S	S	*	*			trans	61.4	171.7	138.5	-62.7	41.9	0	0	0	116.1
1309	D	33.7	Very low	35.5	Very low	108 Å²	108	140.1 Å²	140.1	58%	0.578	74%	0.743	S	S	*	*			cis	-142.6	156.4	-27.3	-124.2	-46	0	0	0	107.2
1310	E	37.3	Very low	35.6	Very low	191 Å²	191	140.6 Å²	140.6	89%	0.893	77%	0.771	S	S	*	*			trans	-165	56.5	148	-117.8	173.4	-138.3	0	0	111.5
1311	K	44.5	Very low	35.6	Very low	196 Å²	196	140 Å²	140	85%	0.852	79%	0.794	S	S	*	*			trans	-130.3	56.2	159.6	-83.6	-57.1	-170.5	-176.2	0	113.3
1312	D	37.4	Very low	35.3	Very low	156 Å²	156	134.7 Å²	134.7	83%	0.834	80%	0.798	S	S	*	*			trans	-111	154.6	154.4	-86.9	-39.1	0	0	0	110
1313	G	33.6	Very low	34.8	Very low	64 Å²	64	129.8 Å²	129.8	66%	0.66	79%	0.794	S	S	*	*			trans	101.8	82.1	159	0	0	0	0	0	117.8
1314	D	28.9	Very low	34.4	Very low	168 Å²	168	132 Å²	132	90%	0.898	79%	0.792	S	S	*	*				56.7	79.3	123.1	-52.2	-24	0	0	0	120.1
1315	G	39.7	Very low	33.9	Very low	84 Å²	84	127 Å²	127	87%	0.866	79%	0.791	S	S	*	*				-114.5	106.9	124.6	0	0	0	0	0	107.4
1316	G	44.1	Very low	33.4	Very low	68 Å²	68	125.7 Å²	125.7	70%	0.701	80%	0.8	S	S	*	*				97.5	86.1	95.8	0	0	0	0	0	109.6
1317	A	31.9	Very low	33	Very low	96 Å²	96	122.4 Å²	122.4	79%	0.793	80%	0.804	S	S	*	*				63.2	114.5	85	0	0	0	0	0	111.8
1318	A	29.7	Very low	32.8	Very low	100 Å²	100	117.7 Å²	117.7	83%	0.826	80%	0.8	S	S	*	*				67.2	140.7	65.6	0	0	0	0	0	112.6
1319	A	28.5	Very low	32.5	Very low	106 Å²	106	117.7 Å²	117.7	88%	0.876	81%	0.809	S	S	*	*			cis	-165.1	166.3	-12.7	0	0	0	0	0	109.1
1320	G	34	Very low	32.4	Very low	84 Å²	84	116.2 Å²	116.2	87%	0.866	82%	0.819	S	S	*	*			trans	-176.9	129.9	169.8	0	0	0	0	0	114.3
1321	G	28.1	Very low	32	Very low	84 Å²	84	113.4 Å²	113.4	87%	0.866	82%	0.815	S	S	*	*			cis	156.4	71.9	-14.1	0	0	0	0	0	117.6
1322	A	33	Very low	31.3	Very low	110 Å²	110	109.6 Å²	109.6	91%	0.909	81%	0.813	S	S	*	*			trans	-167	145	158.1	0	0	0	0	0	109.5
1323	G	30.7	Very low	31	Very low	72 Å²	72	106 Å²	106	74%	0.742	80%	0.804	S	S	*	*			cis	-176.9	162.3	-9.3	0	0	0	0	0	112.3
1324	R	29	Very low	30.8	Very low	241 Å²	241	108.1 Å²	108.1	91%	0.909	81%	0.809	S	S	*	*			trans	36.2	109.3	158.1	-70.6	-171.9	174.4	-145.7	-0.7	121.4
1325	S	28.1	Very low	31	Very low	115 Å²	115	107.2 Å²	107.2	80%	0.804	80%	0.803	S	S	*	*				50.7	123	127.9	64.1	0	0	0	0	122.9
1326	G	27.3	Very low	30.6	Very low	71 Å²	71	109.8 Å²	109.8	73%	0.732	80%	0.795	S	S	*	*			trans	105.1	137.4	142.2	0	0	0	0	0	117.3
1327	T	27.2	Very low	29.9	Very low	139 Å²	139	115.3 Å²	115.3	85%	0.853	80%	0.8	S	S	*	*			trans	31	135.2	148.2	50.9	0	0	0	0	120.8
1328	S	27.7	Very low	30.1	Very low	99 Å²	99	119.9 Å²	119.9	69%	0.692	80%	0.802	S	S	*	*			cis	-173.4	167.8	2.2	46.3	0	0	0	0	111.3
1329	S	29.2	Very low	30.3	Very low	120 Å²	120	121.9 Å²	121.9	84%	0.839	80%	0.804	S	S	*	*			trans	53.6	116.8	155.2	55.3	0	0	0	0	120.1
1330	G	30	Very low	30.4	Very low	76 Å²	76	120.2 Å²	120.2	78%	0.784	80%	0.797	S	S	*	*			trans	-169.5	48.2	179.5	0	0	0	0	0	118.7
1331	V	29.7	Very low	30.3	Very low	133 Å²	133	123 Å²	123	81%	0.806	80%	0.798	S	S	*	*			trans	45.6	112	148.4	-174.6	0	0	0	0	120.5
1332	S	29.1	Very low	30.4	Very low	116 Å²	116	122.1 Å²	122.1	81%	0.811	79%	0.789	S	S	*	*			trans	63.5	147.5	146.2	-63.7	0	0	0	0	121.1
1333	A	30.9	Very low	30.6	Very low	79 Å²	79	119.4 Å²	119.4	65%	0.653	77%	0.772	S	S	*	*			cis	-160.8	161.9	-10.1	0	0	0	0	0	111.3
1334	S	30.5	Very low	30.7	Very low	109 Å²	109	122.9 Å²	122.9	76%	0.762	77%	0.773	S	S	*	*			trans	58.3	140.4	156.6	51.8	0	0	0	0	120.2
1335	I	32.3	Very low	30.7	Very low	150 Å²	150	113.6 Å²	113.6	77%	0.769	75%	0.745	S	S	*	*			cis	-153.5	132.2	-3.1	-119.5	161.2	0	0	0	110.2
1336	I	30.7	Very low	30.7	Very low	138 Å²	138	113.2 Å²	113.2	71%	0.708	73%	0.734	S	S	*	*			trans	28.4	129.6	133.7	-60.7	177	0	0	0	118.2
1337	F	30.7	Very low	31	Very low	184 Å²	184	112.7 Å²	112.7	81%	0.807	72%	0.719	S	S	*	*			cis	-164.7	152.2	-18.3	-115.9	-56.4	0	0	0	110
1338	K	36.6	Very low	31.3	Very low	192 Å²	192	112.4 Å²	112.4	84%	0.835	70%	0.703	S	S	*	*			trans	-97.6	146.3	153.3	-70.9	178.9	178.1	176.4	0	109.2
1339	T	32.8	Very low	31.6	Very low	141 Å²	141	110.8 Å²	110.8	87%	0.865	70%	0.702	S	S	*	*			trans	178.7	158.2	151.5	16.3	0	0	0	0	109.3
1340	G	31.5	Very low	31.9	Very low	71 Å²	71	107.2 Å²	107.2	73%	0.732	68%	0.683	S	S	*	*			cis	-165.9	124.5	-3	0	0	0	0	0	112.3
1341	T	31.4	Very low	32.1	Very low	144 Å²	144	109.7 Å²	109.7	88%	0.883	68%	0.679	S	S	*	*			trans	-46.9	121.6	-172.4	-46.5	0	0	0	0	119.7
1342	G	31.1	Very low	32.3	Very low	65 Å²	65	110.6 Å²	110.6	67%	0.67	67%	0.674	S	S	*	*				73.7	168.4	123.9	0	0	0	0	0	120.6	Q1087	Q1087-G1342 PolarHBondContact NE2-O 3.19Å
1343	G	35.2	Very low	32.5	Very low	53 Å²	53	109.9 Å²	109.9	55%	0.546	67%	0.668	S	S	.	*			trans	175.1	-22.5	168.9	0	0	0	0	0	125.2
1344	N	33.7	Very low	32.6	Very low	144 Å²	144	112 Å²	112	77%	0.77	68%	0.678	S	S	*	*			trans	59	147.3	160.3	-158.8	6.2	0	0	0	121.5
1345	S	29.8	Very low	32.8	Very low	47 Å²	47	110.2 Å²	110.2	33%	0.329	68%	0.677	S	S	.	*			trans	76.5	121.5	152.2	-70	0	0	0	0	123.1	R1082	R1082-S1345 VanDerWaalsContact CZ-O 3.27Å; R1082-S1345 PolarHBondContact NE-O 2.89Å; R1082-S1345 PolarHBondContact NH2-O 3.44Å
1346	N	28.3	Very low	32.8	Very low	106 Å²	106	107.1 Å²	107.1	57%	0.567	66%	0.662	S	S	*	*				80.5	131.1	120.9	-60.9	-1.5	0	0	0	125.9	R1082 P1083 S1084	R1082-N1346 WeakPolarHBondContact CG-O 3.43Å; P1083-N1346 CarbonylContact C-O 3.59Å; S1084-N1346 PolarHBondContact N-O 3.38Å
1347	S	33.1	Very low	32.9	Very low	61 Å²	61	104.1 Å²	104.1	43%	0.427	67%	0.665	S	S	.	*				93.4	72	123.4	61.7	0	0	0	0	127	P1083	P1083-S1347 WeakPolarHBondContact CD-O 3.47Å; P1083-S1347 CarbonylContact O-C 3.6Å; P1083-S1347 PolarHBondContact O-OG 2.83Å
1348	R	33.5	Very low	33.3	Very low	133 Å²	133	98.4 Å²	98.4	50%	0.502	66%	0.658	S	S	.	*			trans	117.1	149.7	148	-66.2	168.5	166.4	-143.5	-13.8	120	Y1081 R1082 P1083 D1633	Y1081-R1348 VanDerWaalsContact C-N 3.26Å; Y1081-R1348 CarbonylContact C-O 3.4Å; Y1081-R1348 PolarHBondContact O-N 3.28Å; R1082-R1348 CarbonylContact C-O 3.35Å; R1082-R1348 VanDerWaalsContact CA-N 3.28Å; R1082-R1348 WeakPolarHBondContact CA-O 3.41Å; R1082-R1348 PolarHBondContact N-O 3.4Å; P1083-R1348 WeakPolarHBondContact CD-O 3.43Å; R1348-D1633 PolarHBondContact NH1-O 2.89Å; R1348-D1633 PolarHBondContact NH2-O 3.44Å
1349	G	33.6	Very low	33.4	Very low	65 Å²	65	97.8 Å²	97.8	67%	0.67	66%	0.658	S	S	*	*			trans	63.8	99.7	154.5	0	0	0	0	0	118.9	Y1081	Y1081-G1349 WeakPolarHBondContact CD1-O 3.45Å
1350	G	35.5	Very low	33.6	Very low	44 Å²	44	96.5 Å²	96.5	45%	0.454	65%	0.65	S	S	.	*			trans	-100.3	-144.5	-176	0	0	0	0	0	116.1	Y1081	Y1081-G1350 VanDerWaalsContact CB-N 3.28Å
1351	N	34.3	Very low	33.6	Very low	128 Å²	128	98.3 Å²	98.3	68%	0.684	64%	0.643	S	S	*	*			trans	73.4	106.9	-175.7	-83.3	-21.8	0	0	0	118.3
1352	Q	34.3	Very low	33.8	Very low	153 Å²	153	95.8 Å²	95.8	72%	0.715	63%	0.631	S	S	*	*				108.1	122	112.8	-78.9	176	14.6	0	0	121.1
1353	C	33.6	Very low	33.9	Very low	101 Å²	101	96.7 Å²	96.7	68%	0.682	63%	0.632	S	S	*	*				73.7	86.6	128.9	-64.9	0	0	0	0	119.9
1354	S	32.1	Very low	33.8	Very low	122 Å²	122	100.3 Å²	100.3	85%	0.853	64%	0.643	S	S	*	*				82.5	152	106.3	75.9	0	0	0	0	119.5
1355	G	34.2	Very low	33.9	Very low	72 Å²	72	100.8 Å²	100.8	74%	0.742	65%	0.646	S	S	*	*			trans	177.8	81	169.3	0	0	0	0	0	110
1356	N	32.3	Very low	33.8	Very low	85 Å²	85	106.7 Å²	106.7	46%	0.455	67%	0.666	S	S	.	*			trans	-140	121.2	168	-157.6	53.6	0	0	0	112.1	A1064 M1066	A1064-N1356 WeakPolarHBondContact CB-OD1 3.06Å; M1066-N1356 PolarHBondContact SD-ND2 3.42Å
1357	G	34.3	Very low	34	Very low	76 Å²	76	107.7 Å²	107.7	78%	0.784	68%	0.676	S	S	*	*			trans	-155	141.9	156.5	0	0	0	0	0	107.3
1358	G	37.9	Very low	33.9	Very low	64 Å²	64	110.6 Å²	110.6	66%	0.66	69%	0.687	S	S	*	*			cis	156.9	162.1	-5	0	0	0	0	0	112.2
1359	H	39.3	Very low	33.9	Very low	179 Å²	179	111.7 Å²	111.7	83%	0.829	70%	0.697	S	S	*	*			trans	64.4	162	172.2	-81.7	-56.2	0	0	0	117.3
1360	T	36.3	Very low	34.2	Very low	113 Å²	113	111.8 Å²	111.8	69%	0.693	70%	0.698	S	S	*	*			cis	-133.6	160.1	17.4	51.6	0	0	0	0	115
1361	D	31.2	Very low	33.9	Very low	109 Å²	109	118 Å²	118	58%	0.583	71%	0.713	S	S	*	*			trans	-119.2	170.3	177.1	-57.7	-82.6	0	0	0	114.5
1362	S	35.3	Very low	33.9	Very low	92 Å²	92	119.7 Å²	119.7	64%	0.643	72%	0.716	S	S	*	*			trans	70.9	157.4	152.8	73.6	0	0	0	0	119.1
1363	A	33.9	Very low	33.9	Very low	84 Å²	84	117 Å²	117	69%	0.694	71%	0.714	S	S	*	*			cis	-147.1	147.6	0.2	0	0	0	0	0	109.3
1364	V	33.6	Very low	33.8	Very low	128 Å²	128	119.4 Å²	119.4	78%	0.776	72%	0.72	S	S	*	*				67.4	114.6	78	-170.5	0	0	0	0	117.2
1365	D	34.4	Very low	33.4	Very low	155 Å²	155	120.2 Å²	120.2	83%	0.829	72%	0.715	S	S	*	*			trans	-166.6	173.7	139.6	-105.6	-11.5	0	0	0	106.7
1366	F	27.9	Very low	33	Very low	171 Å²	171	122.3 Å²	122.3	75%	0.75	72%	0.718	S	S	*	*				172.6	161.2	-50.8	-134.7	-73.9	0	0	0	104.4
1367	V	32.5	Very low	32.7	Very low	126 Å²	126	127 Å²	127	76%	0.764	74%	0.738	S	S	*	*			trans	70	129.3	167.6	174.9	0	0	0	0	113.5
1368	D	31.6	Very low	32.6	Very low	123 Å²	123	128.2 Å²	128.2	66%	0.658	73%	0.729	S	S	*	*			cis	-161.9	-174.7	2.7	-151	-8.8	0	0	0	112.6
1369	Q	32.7	Very low	32.5	Very low	156 Å²	156	131.7 Å²	131.7	73%	0.729	74%	0.738	S	S	*	*			trans	68.5	125.9	142.6	-82	161.7	70.6	0	0	121
1370	G	40.2	Very low	32.6	Very low	66 Å²	66	128.1 Å²	128.1	68%	0.68	73%	0.733	S	S	*	*			trans	137.8	91.5	178.1	0	0	0	0	0	108.9
1371	K	30.5	Very low	32.1	Very low	175 Å²	175	128.3 Å²	128.3	76%	0.761	73%	0.73	S	S	*	*				49.2	126.3	56.5	-57.8	-178.7	-178.9	172.6	0	110.5
1372	Q	33.8	Very low	32.4	Very low	164 Å²	164	129.4 Å²	129.4	77%	0.766	74%	0.74	S	S	*	*			cis	-159.3	178.3	21.9	-131.2	151.3	-43.9	0	0	111.5
1373	S	35.2	Very low	32.1	Very low	96 Å²	96	128.4 Å²	128.4	67%	0.671	74%	0.738	S	S	*	*			trans	29.5	111.7	153.6	55.2	0	0	0	0	118.8
1374	N	30.3	Very low	32.2	Very low	151 Å²	151	131.1 Å²	131.1	81%	0.807	74%	0.741	S	S	*	*				-21.1	107	79.2	-65	-5.1	0	0	0	116.5
1375	N	23.9	Very low	32.1	Very low	140 Å²	140	132.5 Å²	132.5	75%	0.749	74%	0.744	S	S	*	*				158.8	134.6	129.7	-79	-12.5	0	0	0	112.4
1376	S	25	Very low	32.3	Very low	115 Å²	115	130.3 Å²	130.3	80%	0.804	74%	0.738	S	S	*	*			trans	62.7	144.1	170.6	35.1	0	0	0	0	118.6
1377	E	27.4	Very low	32.3	Very low	185 Å²	185	130.5 Å²	130.5	86%	0.864	75%	0.746	S	S	*	*			trans	61.5	129.1	-178.8	-59.8	-172.1	157.5	0	0	115.2
1378	V	31.1	Very low	32.2	Very low	100 Å²	100	130.8 Å²	130.8	61%	0.606	74%	0.743	S	S	*	*			cis	64.8	110.4	-0.8	-165.9	0	0	0	0	113.5
1379	V	37.2	Very low	32.1	Very low	137 Å²	137	131.9 Å²	131.9	83%	0.83	74%	0.744	S	S	*	*				-135.5	155.7	56.2	168.6	0	0	0	0	111.3
1380	S	41.6	Very low	31.8	Very low	105 Å²	105	130 Å²	130	73%	0.734	74%	0.74	S	S	*	*	S	Bend	cis	-126.6	123.6	5.3	45.4	0	0	0	0	113.4
1381	N	25.4	Very low	31.2	Very low	116 Å²	116	133.8 Å²	133.8	62%	0.62	74%	0.744	S	S	*	*			trans	-80.1	173.8	171.2	-53.5	-45.9	0	0	0	110.7
1382	T	37.4	Very low	31.1	Very low	132 Å²	132	132.8 Å²	132.8	81%	0.81	74%	0.744	S	S	*	*				-171.8	135.5	84	-67.4	0	0	0	0	111.5
1383	A	29.3	Very low	31.1	Very low	72 Å²	72	132.6 Å²	132.6	60%	0.595	75%	0.748	S	S	*	*			trans	16.2	129.1	159.5	0	0	0	0	0	120.3
1384	N	35.2	Very low	31.2	Very low	141 Å²	141	131.9 Å²	131.9	75%	0.754	74%	0.743	S	S	*	*				-170.1	107	86.3	-88.5	-61.1	0	0	0	111.8
1385	D	30.7	Very low	31.3	Very low	156 Å²	156	132.6 Å²	132.6	83%	0.834	74%	0.735	S	S	*	*			trans	-69	164.2	151.2	-75.5	-59.6	0	0	0	110.5
1386	P	38.5	Very low	31.9	Very low	109 Å²	109	129.7 Å²	129.7	71%	0.708	73%	0.725	S	S	*	*			cis	-120	106.6	-10.7	30.5	-12.3	0	0	0	110.8
1387	L	29.3	Very low	33.1	Very low	176 Å²	176	127.1 Å²	127.1	92%	0.921	70%	0.702	S	S	*	*			trans	-105.5	64.9	151.4	-80.9	-179.7	0	0	0	108.7
1388	D	29.1	Very low	33.8	Very low	131 Å²	131	119.7 Å²	119.7	70%	0.701	67%	0.669	S	S	*	*			trans	-144.5	154.5	146.1	-130.5	-10.8	0	0	0	114.3
1389	E	30.2	Very low	34.1	Very low	146 Å²	146	117.3 Å²	117.3	68%	0.682	65%	0.649	S	S	*	*			trans	-46.2	-164.2	176.2	-62	171.2	164.8	0	0	118.2
1390	N	26.4	Very low	33.8	Very low	118 Å²	118	114 Å²	114	63%	0.631	62%	0.622	S	S	*	*			trans	69.3	101.1	149.1	-62.3	-48.5	0	0	0	117.4
1391	N	26.9	Very low	33.7	Very low	145 Å²	145	113.3 Å²	113.3	78%	0.775	60%	0.603	S	S	*	*				-158.3	118.4	119	-101.4	-48.5	0	0	0	114.7
1392	M	29.5	Very low	33.9	Very low	154 Å²	154	112.2 Å²	112.2	76%	0.759	59%	0.594	S	S	*	*			trans	40.5	109	140.7	-46.8	-54.6	165.1	0	0	120.1
1393	N	32.6	Very low	33.6	Very low	159 Å²	159	108.5 Å²	108.5	85%	0.85	58%	0.577	S	S	*	*				-144.8	177	88.2	-151.5	-7.8	0	0	0	111.5
1394	S	37.8	Very low	34.6	Very low	81 Å²	81	110.2 Å²	110.2	57%	0.566	58%	0.58	S	S	*	*			trans	-116.4	149.3	-142.8	-47.2	0	0	0	0	112.2
1395	R	32.7	Very low	34.7	Very low	167 Å²	167	106.6 Å²	106.6	63%	0.63	56%	0.563	S	S	*	*				58.6	133.1	52.2	-81.7	-173.3	174.7	-160.7	-6.3	113.4	V1405	R1395-V1405 PolarHBondContact NH2-O 2.91Å
1396	S	37.4	Very low	35.6	Very low	78 Å²	78	101 Å²	101	55%	0.545	53%	0.534	S	S	.	.			cis	-167.3	-161.4	-16.7	35.9	0	0	0	0	107.1
1397	L	49	Very low	35	Very low	61 Å²	61	97.5 Å²	97.5	32%	0.319	51%	0.511	S	S	.	.				-178.9	119.5	68.4	-82	166.1	0	0	0	111.5	V1406	L1397-V1406 HydrophobicContact CD2-CG2 4.49Å
1398	T	41.9	Very low	35.2	Very low	29 Å²	29	89.9 Å²	89.9	18%	0.178	48%	0.475	C	S	.	.	S	Bend		-69.3	135.6	111.7	-50.5	0	0	0	0	106.5	Q1070 Y1071 V1406 G1408 Q2400	Q1070-T1398 CarbonylContact O-C 2.89Å; Q1070-T1398 VanDerWaalsContact O-CG2 3.29Å; Q1070-T1398 WeakPolarHBondContact O-CG2 3.32Å; Y1071-T1398 VanDerWaalsContact O-CA 3.26Å; Y1071-T1398 WeakPolarHBondContact O-CA 3.32Å; Y1071-T1398 VanDerWaalsContact O-CB 3.24Å; Y1071-T1398 WeakPolarHBondContact O-CB 3.38Å; Y1071-T1398 WeakPolarHBondContact O-CG2 3.1Å; Y1071-T1398 PolarHBondContact O-OG1 2.85Å; T1398-V1406 WeakPolarHBondContact O-CG1 3.27Å; T1398-G1408 WeakPolarHBondContact CG2-O 3.45Å; T1398-Q2400 PolarHBondContact OG1-NE2 3.29Å; T1398-Q2400 PolarHBondContact OG1-OE1 3.26Å
1399	R	38.9	Very low	35.7	Very low	51 Å²	51	86.2 Å²	86.2	19%	0.192	46%	0.455	C	S	.	.			trans	-79.2	-161.2	170	-141.2	176	-172	-70	-4.4	107.8	D1069 Q1070 R1401 T1407 G1408	D1069-R1399 HydrophobicContact CB-CB 4.5Å; D1069-R1399 CarbonylContact O-C 3.21Å; D1069-R1399 WeakPolarHBondContact OD2-CD 3.1Å; D1069-R1399 VanDerWaalsContact OD2-CG 3.27Å; D1069-R1399 WeakPolarHBondContact OD2-CG 3.1Å; D1069-R1399 IonicContact OD2-CZ 3.64Å; D1069-R1399 IonicContact OD2-NE 3.18Å; D1069-R1399 IonicContact OD2-NH1 3.74Å; D1069-R1399 PolarHBondContact OD2-NH1 2.63Å; Q1070-R1399 HydrophobicContact CB-CB 3.8Å; Q1070-R1399 WeakPolarHBondContact O-CA 3.43Å; Q1070-R1399 VanDerWaalsContact O-CB 3.23Å; Q1070-R1399 WeakPolarHBondContact O-CB 3.27Å; Q1070-R1399 PolarHBondContact O-N 2.87Å; R1399-R1401 HydrophobicContact CG-CB 3.74Å; R1399-R1401 VanDerWaalsContact CZ-CB 3.47Å; R1399-R1401 VanDerWaalsContact NH1-CB 3.35Å; R1399-R1401 PolarHBondContact NH1-O 3.32Å; R1399-T1407 CarbonylContact C-O 3.3Å; R1399-T1407 CarbonylContact O-C 2.94Å; R1399-T1407 WeakPolarHBondContact O-CA 2.92Å; R1399-T1407 PolarHBondContact O-N 2.8Å; R1399-G1408 PolarHBondContact O-N 2.79Å
1400	R	30.9	Very low	35.9	Very low	68 Å²	68	83.8 Å²	83.8	26%	0.257	45%	0.451	S	S	.	.			cis	-38.6	137	-46.8	-139.3	171.7	-54.7	135.1	-11.5	108.7	I1068 D1069 Q1402 V1406 T1407 G2375 Q2376 Q2377	I1068-R1400 PolarHBondContact O-NE 3.48Å; I1068-R1400 PolarHBondContact O-NH2 2.99Å; D1069-R1400 HydrophobicContact CB-CB 3.61Å; D1069-R1400 HydrophobicContact CB-CG 3.64Å; D1069-R1400 PolarHBondContact O-N 3.16Å; D1069-R1400 WeakPolarHBondContact OD2-CA 3.03Å; R1400-Q1402 WeakPolarHBondContact CD-O 2.97Å; R1400-Q1402 HydrophobicContact CG-CB 4.48Å; R1400-Q1402 VanDerWaalsContact CG-O 3.25Å; R1400-Q1402 WeakPolarHBondContact CG-O 3.05Å; R1400-V1406 VanDerWaalsContact O-CG2 3.3Å; R1400-V1406 WeakPolarHBondContact O-CG2 3.45Å; R1400-T1407 VanDerWaalsContact CB-O 3.23Å; R1400-T1407 WeakPolarHBondContact CB-O 3.22Å; R1400-T1407 PolarHBondContact N-O 3.25Å; R1400-T1407 PolarHBondContact O-N 3.27Å; R1400-G2375 CarbonylContact C-O 3.54Å; R1400-G2375 WeakPolarHBondContact CB-O 3.39Å; R1400-G2375 WeakPolarHBondContact CG-O 3.46Å; R1400-G2375 CarbonylContact O-C 3.42Å; R1400-G2375 VanDerWaalsContact O-CA 3.31Å; R1400-G2375 WeakPolarHBondContact O-CA 3.38Å; R1400-G2375 VanDerWaalsContact O-O 3.11Å; R1400-Q2376 WeakPolarHBondContact CD-O 3.34Å; R1400-Q2376 PolarHBondContact NH1-O 2.86Å; R1400-Q2377 VanDerWaalsContact NH1-N 3.19Å
1401	R	37.9	Very low	36.7	Very low	90 Å²	90	82.7 Å²	82.7	34%	0.34	45%	0.452	S	S	.	.			cis	31.6	104.7	22.8	-74.7	-153.8	-88	-172.1	-6.5	118	R1399 A2373 Q2374 G2375	R1399-R1401 HydrophobicContact CG-CB 3.74Å; R1399-R1401 VanDerWaalsContact CZ-CB 3.47Å; R1399-R1401 VanDerWaalsContact NH1-CB 3.35Å; R1399-R1401 PolarHBondContact NH1-O 3.32Å; R1401-A2373 WeakPolarHBondContact CD-O 3.22Å; R1401-A2373 WeakPolarHBondContact CG-O 3.21Å; R1401-Q2374 VanDerWaalsContact CA-C 3.45Å; R1401-Q2374 WeakPolarHBondContact CA-O 3.4Å; R1401-Q2374 VanDerWaalsContact CG-O 3.3Å; R1401-Q2374 WeakPolarHBondContact CG-O 3.14Å; R1401-Q2374 PolarHBondContact N-O 3.3Å; R1401-G2375 CarbonylContact C-O 3.01Å; R1401-G2375 VanDerWaalsContact C-O 3.3Å; R1401-G2375 PolarHBondContact N-O 3.19Å; R1401-G2375 VanDerWaalsContact N-O 3.09Å
1402	Q	30.4	Very low	37.2	Very low	93 Å²	93	82.6 Å²	82.6	44%	0.435	45%	0.452	S	S	.	.	S	Bend	trans	84.2	74.1	-175.2	-64.3	54.9	84.7	0	0	113.8	R1400 A2373 G2375	R1400-Q1402 WeakPolarHBondContact CD-O 2.97Å; R1400-Q1402 HydrophobicContact CG-CB 4.48Å; R1400-Q1402 VanDerWaalsContact CG-O 3.25Å; R1400-Q1402 WeakPolarHBondContact CG-O 3.05Å; Q1402-A2373 PolarHBondContact NE2-O 2.91Å; Q1402-G2375 CarbonylContact C-O 3.48Å; Q1402-G2375 PolarHBondContact N-O 2.65Å
1403	A	32	Very low	37.9	Very low	54 Å²	54	78.2 Å²	78.2	45%	0.446	43%	0.434	S	S	.	.	S	Bend	cis	-150	165.5	15	0	0	0	0	0	114.6	V1405 G2375 Q2376	A1403-V1405 PolarHBondContact O-N 2.73Å; A1403-G2375 PolarHBondContact N-O 3.29Å; A1403-G2375 CarbonylContact O-C 3.06Å; A1403-Q2376 PolarHBondContact O-N 3.09Å
1404	V	48.7	Very low	38.6	Very low	108 Å²	108	73 Å²	73	66%	0.655	41%	0.405	S	S	*	.	S	Bend	trans	66.9	-92.6	-174.3	96.1	0	0	0	0	117.9	G2375	V1404-G2375 WeakPolarHBondContact O-CA 3.32Å; V1404-G2375 PolarHBondContact O-N 2.81Å
1405	V	38.8	Very low	38.9	Very low	65 Å²	65	73.5 Å²	73.5	39%	0.394	40%	0.402	S	S	.	.	S	Bend	trans	-113	-18.1	-154.7	79.6	0	0	0	0	124.7	R1395 A1403 Q2376	R1395-V1405 PolarHBondContact NH2-O 2.91Å; A1403-V1405 PolarHBondContact O-N 2.73Å; V1405-Q2376 HydrophobicContact CB-CB 4.31Å; V1405-Q2376 HydrophobicContact CG1-CB 3.57Å; V1405-Q2376 HydrophobicContact CG1-CG 3.67Å; V1405-Q2376 VanDerWaalsContact N-N 3.1Å
1406	V	48.2	Very low	39.3	Very low	38 Å²	38	68.7 Å²	68.7	23%	0.23	39%	0.391	C	S	.	.			trans	140.3	74	-175	-154.2	0	0	0	0	124.6	L1397 T1398 R1400	L1397-V1406 HydrophobicContact CD2-CG2 4.49Å; T1398-V1406 WeakPolarHBondContact O-CG1 3.27Å; R1400-V1406 VanDerWaalsContact O-CG2 3.3Å; R1400-V1406 WeakPolarHBondContact O-CG2 3.45Å
1407	T	26.8	Very low	39	Very low	35 Å²	35	69.1 Å²	69.1	22%	0.215	39%	0.387	C	S	.	.			trans	-168.4	143.9	173.6	48.5	0	0	0	0	120.9	R1399 R1400 Q2376 Q2377	R1399-T1407 CarbonylContact C-O 3.3Å; R1399-T1407 CarbonylContact O-C 2.94Å; R1399-T1407 WeakPolarHBondContact O-CA 2.92Å; R1399-T1407 PolarHBondContact O-N 2.8Å; R1400-T1407 VanDerWaalsContact CB-O 3.23Å; R1400-T1407 WeakPolarHBondContact CB-O 3.22Å; R1400-T1407 PolarHBondContact N-O 3.25Å; R1400-T1407 PolarHBondContact O-N 3.27Å; T1407-Q2376 HydrophobicContact CG2-CG 3.74Å; T1407-Q2376 WeakPolarHBondContact OG1-CG 3.2Å; T1407-Q2377 VanDerWaalsContact OG1-C 3.25Å; T1407-Q2377 PolarHBondContact OG1-N 2.96Å; T1407-Q2377 PolarHBondContact OG1-O 2.79Å
1408	G	33.1	Very low	38.6	Very low	17 Å²	17	74.7 Å²	74.7	18%	0.175	41%	0.412	C	S	.	.			trans	161.8	162.3	149.4	0	0	0	0	0	119	D1069 Q1070 T1398 R1399	D1069-G1408 VanDerWaalsContact C-C 3.47Å; D1069-G1408 VanDerWaalsContact C-CA 3.48Å; D1069-G1408 CarbonylContact O-C 2.97Å; D1069-G1408 WeakPolarHBondContact O-CA 3.18Å; D1069-G1408 PolarHBondContact O-N 2.76Å; Q1070-G1408 CarbonylContact C-O 3.59Å; Q1070-G1408 PolarHBondContact N-O 3.43Å; T1398-G1408 WeakPolarHBondContact CG2-O 3.45Å; R1399-G1408 PolarHBondContact O-N 2.79Å
1409	N	39.7	Very low	38.4	Very low	54 Å²	54	80.1 Å²	80.1	29%	0.289	43%	0.429	S	S	.	.			trans	52.1	114.8	178.2	-78.6	46.2	0	0	0	117	I1068	I1068-N1409 WeakPolarHBondContact CA-OD1 3.16Å; I1068-N1409 PolarHBondContact N-OD1 3.45Å
1410	T	35.3	Very low	38.4	Very low	95 Å²	95	80.5 Å²	80.5	58%	0.583	43%	0.433	S	S	*	.			cis	48.3	126.6	31	34.3	0	0	0	0	114.8
1411	S	43.4	Very low	39	Very low	94 Å²	94	81.3 Å²	81.3	66%	0.657	45%	0.445	S	S	*	.			cis	-145.4	160.7	13.9	46.7	0	0	0	0	111
1412	D	36.4	Very low	38.9	Very low	144 Å²	144	79 Å²	79	77%	0.77	45%	0.446	S	S	*	.			trans	68.1	132.7	-176	-46.5	-26.9	0	0	0	112.2
1413	T	43.2	Very low	39.4	Very low	62 Å²	62	75 Å²	75	38%	0.38	43%	0.428	S	S	.	.			cis	-142.3	150.3	17.6	13.1	0	0	0	0	112.9	D1077	D1077-T1413 WeakPolarHBondContact OD1-CB 3.42Å; D1077-T1413 PolarHBondContact OD1-OG1 3.32Å
1414	N	49.1	Very low	39.7	Very low	48 Å²	48	76.4 Å²	76.4	26%	0.257	43%	0.425	S	S	.	.			trans	64.1	151.3	137.6	-53.2	-15.5	0	0	0	121.3	I1079	I1079-N1414 WeakPolarHBondContact CB-ND2 3.25Å; I1079-N1414 VanDerWaalsContact CD1-OD1 3.28Å; I1079-N1414 WeakPolarHBondContact CD1-OD1 3.49Å; I1079-N1414 HydrophobicContact CG1-CB 4.43Å
1415	D	42.6	Very low	39.3	Very low	93 Å²	93	72.5 Å²	72.5	50%	0.497	41%	0.407	S	S	.	.			cis	80.3	141.2	25.4	-160.5	25.4	0	0	0	114.5	I1079	I1079-D1415 HydrophobicContact CD1-CB 4.29Å; I1079-D1415 WeakPolarHBondContact CD1-OD2 3.45Å; I1079-D1415 HydrophobicContact CG1-CB 4.25Å; I1079-D1415 WeakPolarHBondContact CG1-OD2 3.02Å
1416	V	40.9	Very low	39.4	Very low	65 Å²	65	71.6 Å²	71.6	39%	0.394	40%	0.404	S	S	.	.			trans	60.8	94.8	-172.5	-174.4	0	0	0	0	113.6	F1080	F1080-V1416 HydrophobicContact CD2-CG2 3.92Å; F1080-V1416 HydrophobicContact CE2-CG2 4.1Å
1417	D	31.4	Very low	38.9	Very low	87 Å²	87	76.1 Å²	76.1	47%	0.465	42%	0.421	S	S	.	.				57.4	108.1	71.5	-67.8	-48.5	0	0	0	115.8	Y2386	D1417-Y2386 PolarHBondContact OD1-OH 2.75Å; D1417-Y2386 PolarHBondContact OD2-OH 3.08Å
1418	E	41	Very low	39.7	Very low	179 Å²	179	76.7 Å²	76.7	84%	0.836	43%	0.426	S	S	*	.				171.1	155.1	110.1	-87.9	-149.9	131.1	0	0	111.4
1419	W	37.2	Very low	39.7	Very low	142 Å²	142	78.6 Å²	78.6	54%	0.538	44%	0.437	S	S	.	.			cis	179.9	162.7	-37.4	-119.2	49.3	0	0	0	108.8	I2389	W1419-I2389 HydrophobicContact CD2-CG2 3.72Å; W1419-I2389 HydrophobicContact CE3-CD1 4.05Å; W1419-I2389 HydrophobicContact CE3-CG1 4.18Å; W1419-I2389 HydrophobicContact CE3-CG2 3.91Å; W1419-I2389 HydrophobicContact CG-CG2 4.34Å; W1419-I2389 HydrophobicContact CH2-CB 4Å; W1419-I2389 HydrophobicContact CH2-CD1 4.26Å; W1419-I2389 HydrophobicContact CH2-CG1 3.57Å; W1419-I2389 HydrophobicContact CH2-CG2 4.03Å; W1419-I2389 HydrophobicContact CZ2-CB 4.07Å; W1419-I2389 HydrophobicContact CZ2-CG1 4.18Å; W1419-I2389 HydrophobicContact CZ2-CG2 3.81Å; W1419-I2389 HydrophobicContact CZ3-CB 4.26Å; W1419-I2389 HydrophobicContact CZ3-CD1 3.71Å; W1419-I2389 HydrophobicContact CZ3-CG1 3.56Å; W1419-I2389 HydrophobicContact CZ3-CG2 4.07Å
1420	E	40.3	Very low	39.5	Very low	59 Å²	59	81 Å²	81	28%	0.276	45%	0.446	S	S	.	.			trans	-164.4	-160.1	172	-153.6	-101.5	119.2	0	0	113.1	I2389 S2390 P2391 S2392	E1420-I2389 WeakPolarHBondContact O-CD1 3.43Å; E1420-S2390 VanDerWaalsContact C-OG 3.26Å; E1420-S2390 WeakPolarHBondContact O-CB 3.03Å; E1420-S2390 PolarHBondContact O-OG 2.83Å; E1420-P2391 HydrophobicContact CB-CB 4.17Å; E1420-S2392 WeakPolarHBondContact CB-O 3.33Å; E1420-S2392 WeakPolarHBondContact CG-O 3.1Å; E1420-S2392 WeakPolarHBondContact OE2-CB 3.26Å; E1420-S2392 PolarHBondContact OE2-N 3.39Å; E1420-S2392 PolarHBondContact OE2-OG 2.97Å
1421	T	42.4	Very low	39.4	Very low	85 Å²	85	82.4 Å²	82.4	52%	0.521	46%	0.455	S	S	.	.			trans	-127.5	15.9	-158.8	-5.2	0	0	0	0	116.7	Y1300 S2390	Y1300-T1421 WeakPolarHBondContact CD2-O 3.5Å; Y1300-T1421 WeakPolarHBondContact CE2-O 3.27Å; T1421-S2390 VanDerWaalsContact C-OG 3.26Å; T1421-S2390 WeakPolarHBondContact CA-OG 3.32Å; T1421-S2390 PolarHBondContact N-OG 3.21Å
1422	A	35.9	Very low	39.1	Very low	42 Å²	42	85 Å²	85	35%	0.347	46%	0.459	S	S	.	.			trans	-141.3	134.9	167.1	0	0	0	0	0	113.4	S2390 P2391	A1422-S2390 VanDerWaalsContact C-CA 3.46Å; A1422-S2390 VanDerWaalsContact C-CB 3.47Å; A1422-S2390 VanDerWaalsContact N-CB 3.29Å; A1422-S2390 PolarHBondContact N-OG 2.93Å; A1422-S2390 VanDerWaalsContact N-OG 3.12Å; A1422-S2390 CarbonylContact O-C 3.26Å; A1422-S2390 WeakPolarHBondContact O-CA 3.37Å; A1422-S2390 WeakPolarHBondContact O-CB 3.21Å; A1422-P2391 CarbonylContact O-C 3Å; A1422-P2391 WeakPolarHBondContact O-CA 3.06Å
1423	S	40.6	Very low	38.8	Very low	10 Å²	10	87 Å²	87	7%	0.07	46%	0.462	C	S	.	.			cis	-170.3	-153	0.3	-105.9	0	0	0	0	109.9	R1298 R1299	R1298-S1423 VanDerWaalsContact CZ-C 3.46Å; R1298-S1423 PolarHBondContact NE-O 3.27Å; R1298-S1423 VanDerWaalsContact NH1-N 3.2Å; R1298-S1423 PolarHBondContact NH1-O 2.9Å; R1298-S1423 VanDerWaalsContact NH1-O 3.1Å; R1298-S1423 PolarHBondContact NH2-O 2.93Å; R1298-S1423 WeakPolarHBondContact O-CB 3.32Å; R1298-S1423 PolarHBondContact O-OG 2.57Å; R1299-S1423 WeakPolarHBondContact CB-OG 3.03Å
1424	E	38.5	Very low	38.3	Very low	82 Å²	82	91.5 Å²	91.5	38%	0.383	48%	0.483	S	S	.	.			trans	-166.2	156.6	-172.4	167.7	-169.8	-86	0	0	113.9	R1298 R1299	R1298-E1424 CarbonylContact C-O 3.26Å; R1298-E1424 WeakPolarHBondContact CA-O 3.37Å; R1299-E1424 HydrophobicContact CB-CB 4.38Å; R1299-E1424 HydrophobicContact CG-CB 4.04Å; R1299-E1424 IonicContact CZ-OE1 3.34Å; R1299-E1424 IonicContact CZ-OE2 3.71Å; R1299-E1424 PolarHBondContact N-O 2.87Å; R1299-E1424 VanDerWaalsContact NE-CB 3.33Å; R1299-E1424 IonicContact NE-OE1 3.76Å; R1299-E1424 PolarHBondContact NE-OE1 2.88Å; R1299-E1424 IonicContact NE-OE2 3.17Å; R1299-E1424 PolarHBondContact NE-OE2 2.86Å; R1299-E1424 VanDerWaalsContact NH2-CB 3.29Å; R1299-E1424 IonicContact NH2-OE1 2.72Å; R1299-E1424 PolarHBondContact NH2-OE1 2.71Å; R1299-E1424 IonicContact NH2-OE2 3.8Å
1425	G	40.5	Very low	37.6	Very low	26 Å²	26	94.2 Å²	94.2	27%	0.268	51%	0.506	S	S	.	.			trans	99.9	151.9	136.1	0	0	0	0	0	121	H1295	H1295-G1425 PolarHBondContact CE1-O 3.27Å
1426	S	40.1	Very low	37.2	Very low	47 Å²	47	95 Å²	95	33%	0.329	52%	0.518	S	S	.	.			cis	-166.6	166.3	-22.4	-154.8	0	0	0	0	114.3	A1162 S1163	A1162-S1426 WeakPolarHBondContact CB-O 3.15Å; S1163-S1426 PolarHBondContact N-O 2.79Å
1427	F	39.3	Very low	36.9	Very low	133 Å²	133	100.2 Å²	100.2	58%	0.583	54%	0.536	S	S	*	.			trans	74.5	119.1	164	-52.2	-59.2	0	0	0	125.7	S1163 D1164	S1163-F1427 PolarHBondContact OG-O 2.73Å; D1164-F1427 VanDerWaalsContact OD1-CA 3.32Å; D1164-F1427 WeakPolarHBondContact OD1-CA 3.25Å; D1164-F1427 WeakPolarHBondContact OD1-CD1 3.44Å
1428	S	42.1	Very low	37.3	Very low	47 Å²	47	102.3 Å²	102.3	33%	0.329	55%	0.554	S	S	.	*			trans	173.9	117.3	149.2	-71.2	0	0	0	0	115.1	D1164 S1292	D1164-S1428 WeakPolarHBondContact CB-O 3.42Å; D1164-S1428 WeakPolarHBondContact OD1-CA 3.4Å; D1164-S1428 PolarHBondContact OD1-N 2.89Å; D1164-S1428 VanDerWaalsContact OD2-O 3.06Å; S1292-S1428 VanDerWaalsContact OG-CB 3.25Å; S1292-S1428 WeakPolarHBondContact OG-CB 3.09Å
1429	S	34.2	Very low	36.9	Very low	57 Å²	57	101 Å²	101	40%	0.399	55%	0.552	S	S	.	*			trans	-102.7	-171.3	-177.8	-155	0	0	0	0	112.2	D1164 N1165 D1166	D1164-S1429 WeakPolarHBondContact OD2-CA 3.3Å; D1164-S1429 WeakPolarHBondContact OD2-CB 3.33Å; D1164-S1429 PolarHBondContact OD2-N 3.13Å; N1165-S1429 PolarHBondContact ND2-OG 3Å; D1166-S1429 WeakPolarHBondContact OD1-CB 2.89Å; D1166-S1429 PolarHBondContact OD1-OG 2.7Å; D1166-S1429 PolarHBondContact OD2-OG 3.28Å
1430	E	35.9	Very low	36.7	Very low	104 Å²	104	98.8 Å²	98.8	49%	0.486	56%	0.559	S	S	.	*			cis	-156.9	171	9.8	-163.7	-164	135	0	0	109.6	R1169	R1169-E1430 IonicContact CZ-OE1 3.55Å; R1169-E1430 IonicContact CZ-OE2 2.59Å; R1169-E1430 IonicContact NH1-OE1 2.65Å; R1169-E1430 PolarHBondContact NH1-OE1 3.3Å; R1169-E1430 IonicContact NH1-OE2 2.72Å; R1169-E1430 IonicContact NH2-OE1 3.41Å; R1169-E1430 PolarHBondContact NH2-OE1 3.05Å; R1169-E1430 VanDerWaalsContact NH2-OE1 3.11Å; R1169-E1430 IonicContact NH2-OE2 2.75Å; R1169-E1430 PolarHBondContact NH2-OE2 3.13Å
1431	T	32.9	Very low	36.4	Very low	124 Å²	124	103.5 Å²	103.5	76%	0.761	59%	0.586	S	S	*	*			trans	-155.4	158.3	173.3	-49.7	0	0	0	0	115.9
1432	I	36.4	Very low	36	Very low	148 Å²	148	103.9 Å²	103.9	76%	0.759	60%	0.597	S	S	*	*			trans	96.4	117.5	172.2	-55.8	170.8	0	0	0	113
1433	K	30.8	Very low	35.6	Very low	188 Å²	188	109.8 Å²	109.8	82%	0.817	62%	0.623	S	S	*	*			cis	90.3	123.7	30.5	-76.6	-165.5	172.3	-177.1	0	117
1434	N	31.4	Very low	35.5	Very low	156 Å²	156	118.8 Å²	118.8	83%	0.834	66%	0.661	S	S	*	*			trans	-163.6	117.5	152.5	-89.5	-23.4	0	0	0	105.7
1435	S	34.4	Very low	35.1	Very low	105 Å²	105	126.3 Å²	126.3	73%	0.734	69%	0.686	S	S	*	*				60.7	136.8	80.6	71.6	0	0	0	0	114.5
1436	S	34.6	Very low	34.9	Very low	108 Å²	108	132.4 Å²	132.4	76%	0.755	71%	0.705	S	S	*	*			cis	-169.1	170	-15.8	64.1	0	0	0	0	107.1
1437	K	35.3	Very low	34.3	Very low	175 Å²	175	137.7 Å²	137.7	76%	0.761	73%	0.73	S	S	*	*			cis	-134	-169.7	8.2	-54.7	176.9	-178.4	178.5	0	109.7
1438	P	39.1	Very low	33.9	Very low	131 Å²	131	138 Å²	138	85%	0.851	74%	0.742	S	S	*	*				-131.2	172.5	116.8	38.4	-32.5	0	0	0	114.2
1439	L	32.1	Very low	33.3	Very low	152 Å²	152	140.3 Å²	140.3	80%	0.796	76%	0.758	S	S	*	*			trans	-106.3	172.3	174.9	-92.1	151.1	0	0	0	110.8
1440	S	35.1	Very low	33	Very low	96 Å²	96	144.5 Å²	144.5	67%	0.671	77%	0.771	S	S	*	*			trans	60.1	108.7	170.4	48.4	0	0	0	0	117.7
1441	D	33.2	Very low	32.9	Very low	158 Å²	158	146.6 Å²	146.6	85%	0.845	78%	0.784	S	S	*	*				54	130.6	103.4	-56	-46.8	0	0	0	119.5
1442	A	33.1	Very low	32.8	Very low	92 Å²	92	146 Å²	146	76%	0.76	79%	0.785	S	S	*	*			cis	-149.6	156.4	-3.5	0	0	0	0	0	112.2	K1444	A1442-K1444 PolarHBondContact O-N 2.91Å
1443	N	29	Very low	32.5	Very low	166 Å²	166	145.1 Å²	145.1	89%	0.888	79%	0.787	S	S	*	*			trans	-60.1	128.3	171.6	-79.6	-64.5	0	0	0	111.5
1444	K	37	Very low	32.5	Very low	200 Å²	200	140.5 Å²	140.5	87%	0.87	78%	0.778	S	S	*	*			trans	-150.5	130.2	146.2	-114.1	156.4	-170.4	172	0	112.1	A1442	A1442-K1444 PolarHBondContact O-N 2.91Å
1445	R	31.6	Very low	32.6	Very low	240 Å²	240	136.8 Å²	136.8	91%	0.906	77%	0.765	S	S	*	*			trans	67.3	78	169.4	-59.9	-171.8	173.1	179.2	-2.4	116.3
1446	K	35.4	Very low	32.4	Very low	153 Å²	153	136.6 Å²	136.6	67%	0.665	75%	0.752	S	S	*	*			trans	-22.3	143.6	135.7	-78.3	-175.8	167.8	-176.7	0	113	E1450	K1446-E1450 VanDerWaalsContact NZ-CD 3.34Å; K1446-E1450 IonicContact NZ-OE1 3.25Å; K1446-E1450 PolarHBondContact NZ-OE1 3.22Å; K1446-E1450 IonicContact NZ-OE2 2.61Å; K1446-E1450 PolarHBondContact NZ-OE2 2.83Å
1447	N	27.9	Very low	32.3	Very low	159 Å²	159	138.4 Å²	138.4	85%	0.85	75%	0.752	S	S	*	*			trans	-58.7	142.2	151.7	-94	-46.4	0	0	0	110	S1449	N1447-S1449 PolarHBondContact O-N 3.12Å
1448	V	30.9	Very low	32.3	Very low	140 Å²	140	132.2 Å²	132.2	85%	0.848	73%	0.725	S	S	*	*	S	Bend	trans	-74.7	114.3	174.5	176.8	0	0	0	0	109.7
1449	S	29.2	Very low	32	Very low	94 Å²	94	127.7 Å²	127.7	66%	0.657	69%	0.694	S	S	*	*			trans	178.5	57.2	149.9	32.1	0	0	0	0	113	N1447	N1447-S1449 PolarHBondContact O-N 3.12Å
1450	E	28.4	Very low	32.1	Very low	146 Å²	146	124.4 Å²	124.4	68%	0.682	68%	0.677	S	S	*	*			trans	-99.8	96.1	136.9	-71.9	144.4	149	0	0	103.3	K1446	K1446-E1450 VanDerWaalsContact NZ-CD 3.34Å; K1446-E1450 IonicContact NZ-OE1 3.25Å; K1446-E1450 PolarHBondContact NZ-OE1 3.22Å; K1446-E1450 IonicContact NZ-OE2 2.61Å; K1446-E1450 PolarHBondContact NZ-OE2 2.83Å
1451	I	33.7	Very low	31.9	Very low	147 Å²	147	122.8 Å²	122.8	75%	0.754	66%	0.663	S	S	*	*				60.9	86.9	79.3	-57.6	167.2	0	0	0	109.4	T1453	I1451-T1453 PolarHBondContact O-N 3.45Å
1452	S	30.5	Very low	31.8	Very low	113 Å²	113	123.7 Å²	123.7	79%	0.79	66%	0.66	S	S	*	*			trans	-65.7	128.2	150.5	-61	0	0	0	0	108.2
1453	T	30.3	Very low	31.7	Very low	129 Å²	129	124.3 Å²	124.3	79%	0.791	65%	0.654	S	S	*	*			trans	-3.9	141.9	155.2	50.3	0	0	0	0	118.1	I1451	I1451-T1453 PolarHBondContact O-N 3.45Å
1454	S	31.2	Very low	31.7	Very low	90 Å²	90	119.7 Å²	119.7	63%	0.629	64%	0.635	S	S	*	*			cis	-145	175.6	30.8	65.3	0	0	0	0	115.9
1455	S	31.9	Very low	31.3	Very low	79 Å²	79	119.8 Å²	119.8	55%	0.552	64%	0.635	S	S	*	*			trans	-39	146.4	155.6	43.8	0	0	0	0	114.8	H2429	S1455-H2429 WeakPolarHBondContact CB-O 3.26Å
1456	H	31.9	Very low	31.1	Very low	101 Å²	101	113 Å²	113	47%	0.468	62%	0.624	S	S	.	*			trans	-160.1	-165.3	-167.1	-123.7	66.5	0	0	0	115.1	K1458 N2417 H2429 P2430 P2431	H1456-K1458 PolarHBondContact O-N 2.77Å; H1456-N2417 PolarHBondContact O-ND2 3.2Å; H1456-H2429 PolarHBondContact N-O 3.2Å; H1456-P2430 VanDerWaalsContact O-CA 3.3Å; H1456-P2430 WeakPolarHBondContact O-CA 3.34Å; H1456-P2431 PolarHBondContact CE1-O 3.5Å; H1456-P2431 PolarHBondContact ND1-O 3.12Å; H1456-P2431 VanDerWaalsContact ND1-O 3.09Å; H1456-P2431 PolarHBondContact NE2-O 3.41Å
1457	L	31.5	Very low	30.8	Very low	145 Å²	145	109.8 Å²	109.8	76%	0.759	62%	0.621	S	S	*	*	S	Bend	trans	73.3	-2.5	161.9	-91.3	167.9	0	0	0	121.5
1458	K	35.5	Very low	30.9	Very low	45 Å²	45	105.2 Å²	105.2	20%	0.196	60%	0.602	C	S	.	*			trans	79.9	128	162.2	-104.6	-156.5	164.8	96.2	0	117.9	H1456 P2430 P2431 N2432 Q2433	H1456-K1458 PolarHBondContact O-N 2.77Å; K1458-P2430 VanDerWaalsContact CA-CB 3.43Å; K1458-P2431 HydrophobicContact CG-CB 3.55Å; K1458-N2432 PolarHBondContact NZ-OD1 2.98Å; K1458-Q2433 HydrophobicContact CB-CG 4.13Å; K1458-Q2433 HydrophobicContact CD-CB 3.75Å; K1458-Q2433 HydrophobicContact CD-CG 3.67Å; K1458-Q2433 HydrophobicContact CG-CG 4.31Å; K1458-Q2433 PolarHBondContact NZ-O 3Å
1459	N	32.1	Very low	30.9	Very low	36 Å²	36	102.4 Å²	102.4	19%	0.193	59%	0.585	C	S	.	*				48.5	96	65.6	-113.1	73.6	0	0	0	109	N2417 G2418 L2419 P2430	N1459-N2417 VanDerWaalsContact CA-O 3.24Å; N1459-N2417 WeakPolarHBondContact CA-O 3.18Å; N1459-N2417 PolarHBondContact N-O 3.29Å; N1459-G2418 WeakPolarHBondContact OD1-CA 3.2Å; N1459-L2419 PolarHBondContact OD1-N 3.27Å; N1459-P2430 HydrophobicContact CB-CB 4.14Å; N1459-P2430 HydrophobicContact CB-CG 3.76Å; N1459-P2430 WeakPolarHBondContact OD1-CG 3.48Å
1460	D	34.2	Very low	31.1	Very low	83 Å²	83	100.6 Å²	100.6	44%	0.444	57%	0.57	S	S	.	*			cis	-144.6	141.6	15.9	-75.7	-85.3	0	0	0	113.6	Q2416	D1460-Q2416 PolarHBondContact O-NE2 2.85Å; D1460-Q2416 PolarHBondContact O-OE1 3.38Å
1461	V	32.3	Very low	31.1	Very low	62 Å²	62	96.6 Å²	96.6	38%	0.376	56%	0.556	S	S	.	*				12.2	141.7	122.7	-160.1	0	0	0	0	116.1	T1463	V1461-T1463 WeakPolarHBondContact CB-OG1 3.05Å; V1461-T1463 HydrophobicContact CG1-CG2 4.07Å; V1461-T1463 WeakPolarHBondContact CG1-OG1 2.92Å; V1461-T1463 PolarHBondContact O-OG1 3.07Å
1462	K	30.2	Very low	31.1	Very low	178 Å²	178	98.7 Å²	98.7	77%	0.774	55%	0.554	S	S	*	*			trans	-118	111.1	160.9	-77.1	-173.3	178.4	-179.5	0	111	S1464	K1462-S1464 WeakPolarHBondContact CB-O 3.43Å
1463	T	32.1	Very low	31.2	Very low	104 Å²	104	96.9 Å²	96.9	64%	0.638	55%	0.553	S	S	*	*			cis	40.2	55.1	-0.1	60.2	0	0	0	0	115.2	V1461	V1461-T1463 WeakPolarHBondContact CB-OG1 3.05Å; V1461-T1463 HydrophobicContact CG1-CG2 4.07Å; V1461-T1463 WeakPolarHBondContact CG1-OG1 2.92Å; V1461-T1463 PolarHBondContact O-OG1 3.07Å
1464	S	28.2	Very low	31.5	Very low	69 Å²	69	94.7 Å²	94.7	48%	0.483	54%	0.537	S	S	.	.			cis	-121.2	151.6	30.4	-63.9	0	0	0	0	111.3	K1462 S1466	K1462-S1464 WeakPolarHBondContact CB-O 3.43Å; S1464-S1466 VanDerWaalsContact CB-N 3.28Å; S1464-S1466 PolarHBondContact O-N 3.29Å; S1464-S1466 VanDerWaalsContact O-N 3.16Å
1465	K	28.8	Very low	31.6	Very low	203 Å²	203	95.7 Å²	95.7	88%	0.883	54%	0.541	S	S	*	.			cis	52.3	7.2	48.5	-141.6	180	-175.1	-178.8	0	113.6
1466	S	27.5	Very low	31.7	Very low	97 Å²	97	95.1 Å²	95.1	68%	0.678	54%	0.537	S	S	*	.			trans	-95.7	99.8	140.2	-53.3	0	0	0	0	103	S1464	S1464-S1466 VanDerWaalsContact CB-N 3.28Å; S1464-S1466 PolarHBondContact O-N 3.29Å; S1464-S1466 VanDerWaalsContact O-N 3.16Å
1467	S	28.8	Very low	32.4	Very low	85 Å²	85	93.7 Å²	93.7	59%	0.594	54%	0.538	S	S	*	.				54.7	133.8	58.3	-152.1	0	0	0	0	109.9	T1469	S1467-T1469 PolarHBondContact O-N 3.06Å
1468	S	28.8	Very low	33.1	Very low	64 Å²	64	90 Å²	90	45%	0.448	52%	0.523	S	S	.	.				17	87.2	104.7	141.8	0	0	0	0	112.5	T1471	S1468-T1471 WeakPolarHBondContact CB-OG1 3.2Å; S1468-T1471 WeakPolarHBondContact OG-CG2 3.37Å; S1468-T1471 PolarHBondContact OG-OG1 2.75Å
1469	T	31.8	Very low	33	Very low	81 Å²	81	95 Å²	95	50%	0.497	55%	0.547	S	S	.	.	S	Bend		-141.1	139.1	91	23.4	0	0	0	0	111.6	S1467 T1471	S1467-T1469 PolarHBondContact O-N 3.06Å; T1469-T1471 WeakPolarHBondContact CA-OG1 3.17Å; T1469-T1471 VanDerWaalsContact CG2-OG1 3.3Å; T1469-T1471 WeakPolarHBondContact CG2-OG1 3.09Å
1470	V	33.9	Very low	33.2	Very low	56 Å²	56	97.3 Å²	97.3	34%	0.339	56%	0.563	S	S	.	*	S	Bend	cis	-127.3	87.3	16.1	-162.9	0	0	0	0	111.4	Q2357	V1470-Q2357 HydrophobicContact CG2-CG 4.34Å
1471	T	27.7	Very low	33.3	Very low	62 Å²	62	97.6 Å²	97.6	38%	0.38	57%	0.567	S	S	.	*				35	148.2	109	-31.3	0	0	0	0	119.2	S1468 T1469	S1468-T1471 WeakPolarHBondContact CB-OG1 3.2Å; S1468-T1471 WeakPolarHBondContact OG-CG2 3.37Å; S1468-T1471 PolarHBondContact OG-OG1 2.75Å; T1469-T1471 WeakPolarHBondContact CA-OG1 3.17Å; T1469-T1471 VanDerWaalsContact CG2-OG1 3.3Å; T1469-T1471 WeakPolarHBondContact CG2-OG1 3.09Å
1472	R	33.7	Very low	33.4	Very low	190 Å²	190	102.8 Å²	102.8	72%	0.717	59%	0.588	S	S	*	*			trans	83.3	88.9	-173.9	-59.6	-175.8	179.7	-176.5	-3.2	113.6	N1474	R1472-N1474 WeakPolarHBondContact CA-O 2.96Å; R1472-N1474 WeakPolarHBondContact CB-O 3.47Å; R1472-N1474 WeakPolarHBondContact CG-O 3.41Å
1473	G	32.1	Very low	33.7	Very low	75 Å²	75	97.5 Å²	97.5	77%	0.773	58%	0.577	S	S	*	*			cis	68	59.2	-2.1	0	0	0	0	0	114
1474	N	36.6	Very low	33.9	Very low	84 Å²	84	97.7 Å²	97.7	45%	0.449	58%	0.578	S	S	.	*			trans	67.5	146.3	-167.3	-51.8	-27.6	0	0	0	112.2	R1472 T1495	R1472-N1474 WeakPolarHBondContact CA-O 2.96Å; R1472-N1474 WeakPolarHBondContact CB-O 3.47Å; R1472-N1474 WeakPolarHBondContact CG-O 3.41Å; N1474-T1495 HydrophobicContact CB-CG2 3.74Å; N1474-T1495 WeakPolarHBondContact ND2-CG2 3.46Å
1475	P	34.8	Very low	34.3	Very low	110 Å²	110	100.1 Å²	100.1	71%	0.714	59%	0.585	S	S	*	*				-100.2	161.4	74.9	31.2	-38	0	0	0	114.5
1476	S	33.1	Very low	34.3	Very low	68 Å²	68	97.4 Å²	97.4	48%	0.476	58%	0.58	S	S	.	*			cis	168.7	115.2	-30.8	47.6	0	0	0	0	107.7	T1495	S1476-T1495 WeakPolarHBondContact CA-OG1 3.48Å; S1476-T1495 WeakPolarHBondContact CB-OG1 3.45Å
1477	S	47	Very low	34.4	Very low	71 Å²	71	100.9 Å²	100.9	50%	0.497	59%	0.585	S	S	.	*			trans	-168.1	125.2	159.5	175.1	0	0	0	0	111.7	T1495 E1496	S1477-T1495 PolarHBondContact N-OG1 2.96Å; S1477-E1496 PolarHBondContact N-O 2.67Å; S1477-E1496 WeakPolarHBondContact O-CB 3.37Å; S1477-E1496 PolarHBondContact O-N 2.82Å
1478	C	45.2	Very low	34.4	Very low	66 Å²	66	107.2 Å²	107.2	45%	0.446	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	cis	-171	131.9	-19.6	-122.2	0	0	0	0	108.9	V1480 D1494	C1478-V1480 HydrophobicContact CB-CG2 4.15Å; C1478-D1494 CarbonylContact C-O 3.24Å; C1478-D1494 VanDerWaalsContact CA-O 3.28Å; C1478-D1494 WeakPolarHBondContact CA-O 2.96Å
1479	H	33.6	Very low	34.6	Very low	151 Å²	151	111.4 Å²	111.4	70%	0.699	61%	0.608	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-154.9	49	145.7	-121.1	-68.7	0	0	0	111.2	D1493 D1494	H1479-D1493 VanDerWaalsContact C-C 3.42Å; H1479-D1493 CarbonylContact C-O 3.11Å; H1479-D1493 CarbonylContact O-C 3.13Å; H1479-D1493 WeakPolarHBondContact O-CB 3.24Å; H1479-D1494 PolarHBondContact N-O 2.99Å; H1479-D1494 PolarHBondContact O-N 2.91Å; H1479-D1494 VanDerWaalsContact O-N 3.1Å
1480	V	37.1	Very low	34.8	Very low	85 Å²	85	112.4 Å²	112.4	52%	0.515	61%	0.607	S	S	.	*				79.4	101.7	106.8	169.3	0	0	0	0	111.1	C1478 N1492 D1493	C1478-V1480 HydrophobicContact CB-CG2 4.15Å; V1480-N1492 CarbonylContact C-O 2.81Å; V1480-N1492 VanDerWaalsContact O-O 3.14Å; V1480-D1493 PolarHBondContact N-O 2.91Å; V1480-D1493 VanDerWaalsContact N-O 3.07Å
1481	T	36.4	Very low	34.8	Very low	88 Å²	88	112.3 Å²	112.3	54%	0.54	60%	0.604	S	S	.	*				-126.7	-141.3	68.2	74.1	0	0	0	0	115.6	D1491 N1492	T1481-D1491 PolarHBondContact OG1-O 2.89Å; T1481-N1492 PolarHBondContact N-O 2.92Å
1482	E	33.8	Very low	35.2	Very low	172 Å²	172	112 Å²	112	80%	0.804	60%	0.601	S	S	*	*			trans	-161.7	-18.6	-173.6	-152.2	176.2	0.2	0	0	119.2	T1484	E1482-T1484 PolarHBondContact O-N 3.27Å
1483	A	36.2	Very low	35.5	Very low	66 Å²	66	108.1 Å²	108.1	55%	0.545	59%	0.594	S	S	.	*			trans	-70.1	118	-164.1	0	0	0	0	0	114.5
1484	T	36.5	Very low	36	Very low	108 Å²	108	110.1 Å²	110.1	66%	0.663	59%	0.587	S	S	*	*				82.6	131.8	57.9	-62.7	0	0	0	0	114.7	E1482	E1482-T1484 PolarHBondContact O-N 3.27Å
1485	I	36.4	Very low	36.6	Very low	121 Å²	121	108.1 Å²	108.1	62%	0.621	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	131.1	-174.5	-60.1	173.3	0	0	0	111.1
1486	N	29.6	Very low	36.5	Very low	146 Å²	146	110.4 Å²	110.4	78%	0.781	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	46.8	67.6	170.8	-76.6	-7.7	0	0	0	116.4
1487	H	29	Very low	36.6	Very low	170 Å²	170	110.4 Å²	110.4	79%	0.787	59%	0.589	S	S	*	*	S	Bend		-151.8	110.5	99.5	-100.1	-57.7	0	0	0	112.4
1488	R	30.2	Very low	36.7	Very low	217 Å²	217	110.9 Å²	110.9	82%	0.819	61%	0.606	S	S	*	*			trans	55	116.6	157.4	-67.5	-178.9	-178.5	164.8	1	119.3
1489	H	32.6	Very low	36.6	Very low	153 Å²	153	115.1 Å²	115.1	71%	0.708	63%	0.63	S	S	*	*			trans	70.4	139.3	147.4	-77.4	-91.9	0	0	0	121.6
1490	H	36.2	Very low	36.3	Very low	102 Å²	102	111.1 Å²	111.1	47%	0.472	62%	0.619	S	S	.	*			trans	64.3	121.6	144.2	-68.4	-58	0	0	0	124.2	H2364	H1490-H2364 AromaticContact CE1-CD2 3.71Å; H1490-H2364 AromaticContact CE1-NE2 3.84Å; H1490-H2364 AromaticContact ND1-CD2 3.77Å
1491	D	33.9	Very low	36.4	Very low	54 Å²	54	112.3 Å²	112.3	29%	0.289	63%	0.631	S	S	.	*				79.7	104.3	124.5	-54.9	13.2	0	0	0	123.8	T1481 F2362 P2363 H2364	T1481-D1491 PolarHBondContact OG1-O 2.89Å; D1491-F2362 VanDerWaalsContact CA-O 3.3Å; D1491-F2362 WeakPolarHBondContact CA-O 3.42Å; D1491-F2362 PolarHBondContact N-O 3.13Å; D1491-P2363 WeakPolarHBondContact CA-O 3.21Å; D1491-P2363 WeakPolarHBondContact CB-O 3Å; D1491-P2363 WeakPolarHBondContact OD1-CD 3.41Å; D1491-P2363 VanDerWaalsContact OD1-CG 3.26Å; D1491-P2363 WeakPolarHBondContact OD1-CG 3.28Å; D1491-H2364 IonicContact OD1-CD2 3.64Å; D1491-H2364 IonicContact OD2-CD2 3.91Å
1492	N	36	Very low	36.9	Very low	56 Å²	56	119.4 Å²	119.4	30%	0.299	65%	0.648	S	S	.	*				75.8	142.6	129.2	-89.2	1.4	0	0	0	124.7	V1480 T1481 F2362 P2363 H2364	V1480-N1492 CarbonylContact C-O 2.81Å; V1480-N1492 VanDerWaalsContact O-O 3.14Å; T1481-N1492 PolarHBondContact N-O 2.92Å; N1492-F2362 PolarHBondContact N-O 2.93Å; N1492-P2363 PolarHBondContact ND2-O 2.67Å; N1492-P2363 PolarHBondContact OD1-O 2.77Å; N1492-H2364 PolarHBondContact ND2-O 3.31Å; N1492-H2364 PolarHBondContact OD1-N 3.48Å
1493	D	38.3	Very low	37	Very low	108 Å²	108	113.6 Å²	113.6	58%	0.578	63%	0.625	S	S	*	*			trans	71.9	175.1	141.6	-56.9	-15.2	0	0	0	124.3	H1479 V1480	H1479-D1493 VanDerWaalsContact C-C 3.42Å; H1479-D1493 CarbonylContact C-O 3.11Å; H1479-D1493 CarbonylContact O-C 3.13Å; H1479-D1493 WeakPolarHBondContact O-CB 3.24Å; V1480-D1493 PolarHBondContact N-O 2.91Å; V1480-D1493 VanDerWaalsContact N-O 3.07Å
1494	D	42.8	Very low	37	Very low	117 Å²	117	114.4 Å²	114.4	63%	0.626	63%	0.631	S	S	*	*	E	Extended strand (participates in β ladder)		-115.4	-160.7	-100.8	-145.7	-23.4	0	0	0	116.7	C1478 H1479	C1478-D1494 CarbonylContact C-O 3.24Å; C1478-D1494 VanDerWaalsContact CA-O 3.28Å; C1478-D1494 WeakPolarHBondContact CA-O 2.96Å; H1479-D1494 PolarHBondContact N-O 2.99Å; H1479-D1494 PolarHBondContact O-N 2.91Å; H1479-D1494 VanDerWaalsContact O-N 3.1Å
1495	T	50.3	Low	37.5	Very low	41 Å²	41	112.6 Å²	112.6	25%	0.252	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-165	152.3	-163.2	-102.4	0	0	0	0	120.3	N1474 S1476 S1477	N1474-T1495 HydrophobicContact CB-CG2 3.74Å; N1474-T1495 WeakPolarHBondContact ND2-CG2 3.46Å; S1476-T1495 WeakPolarHBondContact CA-OG1 3.48Å; S1476-T1495 WeakPolarHBondContact CB-OG1 3.45Å; S1477-T1495 PolarHBondContact N-OG1 2.96Å
1496	E	32.8	Very low	37.6	Very low	159 Å²	159	109.5 Å²	109.5	74%	0.743	63%	0.626	S	S	*	*			trans	-125.5	172.4	168.2	-54.3	-172	125.4	0	0	114.2	S1477	S1477-E1496 PolarHBondContact N-O 2.67Å; S1477-E1496 WeakPolarHBondContact O-CB 3.37Å; S1477-E1496 PolarHBondContact O-N 2.82Å
1497	G	35.7	Very low	37.6	Very low	67 Å²	67	105.1 Å²	105.1	69%	0.691	62%	0.615	S	S	*	*			trans	119.1	149.1	152.9	0	0	0	0	0	120.4
1498	G	48.3	Very low	37.8	Very low	82 Å²	82	105.2 Å²	105.2	85%	0.845	62%	0.619	S	S	*	*			trans	-144.3	-165	-172.2	0	0	0	0	0	119.2
1499	T	44	Very low	38.1	Very low	154 Å²	154	99 Å²	99	95%	0.945	61%	0.614	S	S	*	*			trans	-121.1	-166.6	-156.6	60.2	0	0	0	0	118.3
1500	S	26.7	Very low	38.5	Very low	68 Å²	68	98.3 Å²	98.3	48%	0.476	62%	0.615	S	S	.	*			trans	-158	171.6	-154.1	63.9	0	0	0	0	119.8	T1552	S1500-T1552 WeakPolarHBondContact CB-OG1 3.34Å; S1500-T1552 WeakPolarHBondContact OG-CB 3.35Å; S1500-T1552 VanDerWaalsContact OG-CG2 3.28Å; S1500-T1552 WeakPolarHBondContact OG-CG2 3.43Å; S1500-T1552 PolarHBondContact OG-OG1 3.35Å
1501	S	37.8	Very low	38.8	Very low	109 Å²	109	100.6 Å²	100.6	76%	0.762	63%	0.626	S	S	*	*			trans	-146.9	-171.6	173.2	70.6	0	0	0	0	116.8
1502	R	49	Very low	39.2	Very low	237 Å²	237	103.4 Å²	103.4	89%	0.894	65%	0.646	S	S	*	*			trans	-136.4	155.1	-165.2	-66.7	172.1	66.2	-171.6	3.2	116.6
1503	P	34	Very low	38.8	Very low	50 Å²	50	107.3 Å²	107.3	33%	0.325	66%	0.662	S	S	.	*			trans	-139.2	-175.3	166.6	40.3	-22.8	0	0	0	116.9	T1527 Y1548	P1503-T1527 HydrophobicContact CB-CG2 4.34Å; P1503-T1527 HydrophobicContact CG-CG2 4.13Å; P1503-Y1548 HydrophobicContact CB-CE1 4.12Å; P1503-Y1548 WeakPolarHBondContact CB-OH 3.23Å; P1503-Y1548 HydrophobicContact CG-CE1 3.6Å
1504	A	37.4	Very low	38.5	Very low	83 Å²	83	107.5 Å²	107.5	69%	0.686	67%	0.671	S	S	*	*			trans	-158.1	160.8	171.2	0	0	0	0	0	109.7	T1527	A1504-T1527 WeakPolarHBondContact CA-O 3.24Å
1505	A	47.6	Very low	38.1	Very low	70 Å²	70	107.6 Å²	107.6	58%	0.579	68%	0.681	S	S	*	*			cis	-141.3	-155	-1.5	0	0	0	0	0	108.3	T1527 V1528	A1505-T1527 WeakPolarHBondContact O-CB 3.07Å; A1505-T1527 PolarHBondContact O-OG1 3.03Å; A1505-V1528 CarbonylContact C-O 3.57Å
1506	G	36.9	Very low	37	Very low	57 Å²	57	114.3 Å²	114.3	59%	0.588	71%	0.706	S	S	*	*			cis	162.6	121	-14.3	0	0	0	0	0	113.7	V1528	G1506-V1528 WeakPolarHBondContact CA-O 3.43Å; G1506-V1528 PolarHBondContact N-O 3.15Å
1507	G	30.7	Very low	37.1	Very low	53 Å²	53	112.9 Å²	112.9	55%	0.546	71%	0.708	S	S	.	*			trans	-158.4	67.7	-175.1	0	0	0	0	0	118.1
1508	I	31.8	Very low	37.5	Very low	172 Å²	172	115.5 Å²	115.5	88%	0.882	72%	0.716	S	S	*	*			trans	27.6	133.2	160.7	-10	178	0	0	0	122
1509	A	37.8	Very low	36.9	Very low	87 Å²	87	115.3 Å²	115.3	72%	0.719	70%	0.701	S	S	*	*			trans	72.9	136.5	165.1	0	0	0	0	0	116.5
1510	L	39.9	Very low	36.5	Very low	139 Å²	139	111 Å²	111	73%	0.728	68%	0.678	S	S	*	*			cis	-121.6	151.7	-9.9	-64	168.4	0	0	0	107.7
1511	Q	43.5	Very low	37.2	Very low	149 Å²	149	111 Å²	111	70%	0.696	68%	0.676	S	S	*	*			cis	67.2	124.1	47.4	-73.1	-171.2	-18.7	0	0	115.9
1512	T	42	Very low	37	Very low	114 Å²	114	108.9 Å²	108.9	70%	0.699	66%	0.661	S	S	*	*			trans	19.5	115.3	160.9	-44	0	0	0	0	121.5
1513	E	28.1	Very low	36.5	Very low	137 Å²	137	103.9 Å²	103.9	64%	0.64	66%	0.657	S	S	*	*			trans	-173.9	120.5	133.7	-104.2	168.3	-159.3	0	0	108.3	S1520	E1513-S1520 PolarHBondContact N-OG 2.77Å; E1513-S1520 WeakPolarHBondContact O-CB 3.04Å; E1513-S1520 PolarHBondContact O-OG 2.79Å
1514	C	31.8	Very low	37	Very low	113 Å²	113	108 Å²	108	76%	0.764	67%	0.674	S	S	*	*				51.7	139.9	82.1	-72.2	0	0	0	0	115.3	K1516	C1514-K1516 PolarHBondContact O-N 3.13Å
1515	S	33.7	Very low	36.8	Very low	119 Å²	119	107.9 Å²	107.9	83%	0.832	67%	0.669	S	S	*	*	S	Bend	trans	-62.4	98.9	-166.9	-58	0	0	0	0	114.6
1516	K	27.6	Very low	36.5	Very low	181 Å²	181	105.7 Å²	105.7	79%	0.787	65%	0.653	S	S	*	*	S	Bend		-174	141.7	114.1	-96.1	148.4	-170.8	172.2	0	112.2	C1514	C1514-K1516 PolarHBondContact O-N 3.13Å
1517	V	34.1	Very low	36.9	Very low	129 Å²	129	104.1 Å²	104.1	78%	0.782	63%	0.632	S	S	*	*	S	Bend	trans	56.4	93.5	154.2	-175.1	0	0	0	0	115.6
1518	S	43.9	Very low	37.1	Very low	122 Å²	122	103.6 Å²	103.6	85%	0.853	62%	0.618	S	S	*	*	S	Bend	trans	67.6	59.9	160.6	60.9	0	0	0	0	118.6
1519	S	37.3	Very low	37.4	Very low	78 Å²	78	100.1 Å²	100.1	55%	0.545	60%	0.598	S	S	.	*			trans	-153.7	170.7	179.4	54.6	0	0	0	0	115.4
1520	S	34.2	Very low	37	Very low	64 Å²	64	103 Å²	103	45%	0.448	60%	0.595	S	S	.	*			trans	97.3	150.9	146.3	-70.8	0	0	0	0	122.6	E1513	E1513-S1520 PolarHBondContact N-OG 2.77Å; E1513-S1520 WeakPolarHBondContact O-CB 3.04Å; E1513-S1520 PolarHBondContact O-OG 2.79Å
1521	P	41.6	Very low	37.1	Very low	68 Å²	68	100.3 Å²	100.3	44%	0.442	58%	0.581	S	S	.	*			trans	-106.1	160.5	-162.3	42.1	-38	0	0	0	113.7
1522	S	33.8	Very low	37.2	Very low	64 Å²	64	98.3 Å²	98.3	45%	0.448	57%	0.572	S	S	.	*			trans	-162.3	116.4	136.8	56.4	0	0	0	0	110.9	I1524	S1522-I1524 PolarHBondContact O-N 3.43Å
1523	V	38.7	Very low	37.5	Very low	132 Å²	132	99.4 Å²	99.4	80%	0.8	57%	0.567	S	S	*	*			trans	42.6	16.2	137.2	-144.9	0	0	0	0	120.2	S1525	V1523-S1525 PolarHBondContact O-N 2.86Å
1524	I	44.6	Very low	38.6	Very low	136 Å²	136	96.3 Å²	96.3	70%	0.697	56%	0.56	S	S	*	*			trans	-75.5	83.2	163.3	-59.4	174.7	0	0	0	106.7	S1522 G1526	S1522-I1524 PolarHBondContact O-N 3.43Å; I1524-G1526 VanDerWaalsContact C-N 3.34Å; I1524-G1526 PolarHBondContact O-N 2.71Å
1525	S	33.3	Very low	39.2	Very low	81 Å²	81	99 Å²	99	57%	0.566	56%	0.561	S	S	*	*			trans	-68.9	89.3	177.7	-68.8	0	0	0	0	110.6	V1523	V1523-S1525 PolarHBondContact O-N 2.86Å
1526	G	41.3	Very low	39.4	Very low	25 Å²	25	100 Å²	100	26%	0.258	56%	0.556	S	S	.	*	S	Bend	trans	-159.4	110.6	173.4	0	0	0	0	0	110.9	I1524 V1528 Q1529	I1524-G1526 VanDerWaalsContact C-N 3.34Å; I1524-G1526 PolarHBondContact O-N 2.71Å; G1526-V1528 VanDerWaalsContact C-CA 3.44Å; G1526-Q1529 PolarHBondContact O-N 2.97Å; G1526-Q1529 VanDerWaalsContact O-N 3.13Å
1527	T	45.9	Very low	40	Very low	23 Å²	23	96.1 Å²	96.1	14%	0.141	55%	0.552	C	S	.	*	T	Hydrogen-bonded Turn	cis	-55.5	-59.8	-14.6	34.6	0	0	0	0	114.6	P1503 A1504 A1505 Q1529 Y1548	P1503-T1527 HydrophobicContact CB-CG2 4.34Å; P1503-T1527 HydrophobicContact CG-CG2 4.13Å; A1504-T1527 WeakPolarHBondContact CA-O 3.24Å; A1505-T1527 WeakPolarHBondContact O-CB 3.07Å; A1505-T1527 PolarHBondContact O-OG1 3.03Å; T1527-Q1529 VanDerWaalsContact N-N 3.18Å; T1527-Q1529 VanDerWaalsContact OG1-C 3.25Å; T1527-Q1529 PolarHBondContact OG1-N 3.21Å; T1527-Q1529 PolarHBondContact OG1-O 2.88Å; T1527-Y1548 HydrophobicContact CG2-CD1 4.44Å; T1527-Y1548 HydrophobicContact CG2-CE1 3.67Å
1528	V	34	Very low	40.2	Very low	43 Å²	43	91.3 Å²	91.3	26%	0.261	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn		-99.2	125.4	59.1	-150.3	0	0	0	0	114.4	A1505 G1506 G1526	A1505-V1528 CarbonylContact C-O 3.57Å; G1506-V1528 WeakPolarHBondContact CA-O 3.43Å; G1506-V1528 PolarHBondContact N-O 3.15Å; G1526-V1528 VanDerWaalsContact C-CA 3.44Å
1529	Q	38.2	Very low	39.6	Very low	99 Å²	99	87.3 Å²	87.3	46%	0.463	51%	0.506	S	S	.	.	S	Bend	trans	76.3	113.8	178.5	-53.9	114.9	10.9	0	0	117.4	G1526 T1527	G1526-Q1529 PolarHBondContact O-N 2.97Å; G1526-Q1529 VanDerWaalsContact O-N 3.13Å; T1527-Q1529 VanDerWaalsContact N-N 3.18Å; T1527-Q1529 VanDerWaalsContact OG1-C 3.25Å; T1527-Q1529 PolarHBondContact OG1-N 3.21Å; T1527-Q1529 PolarHBondContact OG1-O 2.88Å
1530	K	30.4	Very low	39.5	Very low	148 Å²	148	84.7 Å²	84.7	64%	0.643	49%	0.488	S	S	*	.			cis	-179.6	163.4	-22.5	-118.7	167.7	-174.8	-179.9	0	108
1531	N	42.2	Very low	40	Very low	81 Å²	81	83.1 Å²	83.1	43%	0.433	48%	0.477	S	S	.	.			trans	68.7	155.9	151.9	-100.6	30.9	0	0	0	119.5	R1549	N1531-R1549 PolarHBondContact OD1-NH2 3.37Å
1532	E	44.2	Very low	39.5	Very low	107 Å²	107	82.3 Å²	82.3	50%	0.5	47%	0.471	S	S	.	.			trans	64.9	153.6	150.6	-65.6	164.9	-114.1	0	0	117.9	S1546	E1532-S1546 CarbonylContact C-O 3.16Å; E1532-S1546 PolarHBondContact O-OG 2.85Å
1533	K	49	Very low	39.4	Very low	138 Å²	138	84.2 Å²	84.2	60%	0.6	48%	0.476	S	S	*	.			cis	-145.2	122.7	-19	-111.4	157.3	176.9	153.1	0	104.9	S1546	K1533-S1546 CarbonylContact C-O 2.85Å; K1533-S1546 PolarHBondContact N-O 2.95Å
1534	S	50.2	Low	39.1	Very low	71 Å²	71	85.7 Å²	85.7	50%	0.497	47%	0.474	S	S	.	.				40.3	84.1	98.3	77.9	0	0	0	0	115.8
1535	H	45.4	Very low	38.8	Very low	171 Å²	171	84.8 Å²	84.8	79%	0.792	47%	0.467	S	S	*	.				-143.1	140.5	122.4	-84.1	-70.8	0	0	0	105.5
1536	L	36.8	Very low	39.1	Very low	139 Å²	139	83.8 Å²	83.8	73%	0.728	46%	0.46	S	S	*	.			cis	54.7	74.7	8.1	-58.1	-178.6	0	0	0	112.4
1537	S	40.1	Very low	38.9	Very low	99 Å²	99	86.1 Å²	86.1	69%	0.692	48%	0.477	S	S	*	.			cis	-87.9	134.2	20	44.9	0	0	0	0	115.9
1538	G	39.1	Very low	38.2	Very low	29 Å²	29	90.6 Å²	90.6	30%	0.299	49%	0.492	S	S	.	.			cis	77.1	129.5	-19.1	0	0	0	0	0	117.2
1539	G	32	Very low	38.4	Very low	37 Å²	37	96.5 Å²	96.5	38%	0.381	51%	0.51	S	S	.	.			cis	-161.2	152	-7.4	0	0	0	0	0	108.6	H1074	H1074-G1539 WeakPolarHBondContact CB-O 3.37Å
1540	S	33.8	Very low	38.1	Very low	23 Å²	23	95.5 Å²	95.5	16%	0.161	51%	0.514	C	S	.	.	S	Bend	cis	-139	125	9	169.6	0	0	0	0	106.9	H1074 T1542 S2397 L2398	H1074-S1540 CarbonylContact O-C 3.16Å; H1074-S1540 PolarHBondContact O-N 3.04Å; S1540-T1542 VanDerWaalsContact CA-N 3.3Å; S1540-T1542 WeakPolarHBondContact CA-OG1 3.02Å; S1540-T1542 WeakPolarHBondContact CB-OG1 3.09Å; S1540-T1542 PolarHBondContact OG-N 3Å; S1540-T1542 PolarHBondContact OG-O 3.12Å; S1540-T1542 PolarHBondContact OG-OG1 2.88Å; S1540-S2397 CarbonylContact C-O 3.58Å; S1540-S2397 CarbonylContact O-C 3.27Å; S1540-S2397 VanDerWaalsContact O-C 3.31Å; S1540-S2397 PolarHBondContact OG-O 2.97Å; S1540-L2398 PolarHBondContact O-N 2.84Å
1541	S	46.7	Very low	38.1	Very low	32 Å²	32	94.1 Å²	94.1	22%	0.224	51%	0.513	C	S	.	.	S	Bend		-62.8	101.9	54.1	84.1	0	0	0	0	115.5	H1074 S1075 N1076 V2396 S2397	H1074-S1541 PolarHBondContact O-N 2.84Å; H1074-S1541 VanDerWaalsContact O-N 3.14Å; S1075-S1541 WeakPolarHBondContact O-CA 3.43Å; S1075-S1541 WeakPolarHBondContact O-CB 3.45Å; S1075-S1541 PolarHBondContact O-N 2.66Å; S1075-S1541 PolarHBondContact O-OG 3.18Å; S1075-S1541 PolarHBondContact OG-O 3.26Å; N1076-S1541 PolarHBondContact OD1-OG 2.63Å; S1541-V2396 WeakPolarHBondContact CB-O 3.45Å; S1541-S2397 WeakPolarHBondContact CA-O 3.43Å; S1541-S2397 PolarHBondContact N-O 3.32Å
1542	T	30.9	Very low	37.8	Very low	50 Å²	50	94 Å²	94	31%	0.307	52%	0.515	S	S	.	.			trans	-144.1	134.6	164.5	45.5	0	0	0	0	106.3	S1540 V2396	S1540-T1542 VanDerWaalsContact CA-N 3.3Å; S1540-T1542 WeakPolarHBondContact CA-OG1 3.02Å; S1540-T1542 WeakPolarHBondContact CB-OG1 3.09Å; S1540-T1542 PolarHBondContact OG-N 3Å; S1540-T1542 PolarHBondContact OG-O 3.12Å; S1540-T1542 PolarHBondContact OG-OG1 2.88Å; T1542-V2396 WeakPolarHBondContact O-CB 2.96Å; T1542-V2396 WeakPolarHBondContact O-CG1 3.45Å; T1542-V2396 WeakPolarHBondContact O-CG2 3.31Å
1543	N	31.8	Very low	37.3	Very low	105 Å²	105	100.1 Å²	100.1	56%	0.561	53%	0.534	S	S	*	.			cis	-103.4	102.2	19.8	-69.6	-30.7	0	0	0	113.7	H1545	N1543-H1545 PolarHBondContact O-CD2 2.91Å; N1543-H1545 PolarHBondContact O-N 2.77Å
1544	Q	30.6	Very low	36.8	Very low	162 Å²	162	98.3 Å²	98.3	76%	0.757	54%	0.544	S	S	*	.				-69	75.1	129.7	-120.2	-62	11.7	0	0	107.7	S1546	Q1544-S1546 PolarHBondContact O-N 3.03Å
1545	H	38.3	Very low	35.9	Very low	117 Å²	117	100.1 Å²	100.1	54%	0.542	56%	0.557	S	S	.	*			trans	12.4	-101	173.6	-67.1	-96	0	0	0	117.2	N1543 A1547	N1543-H1545 PolarHBondContact O-CD2 2.91Å; N1543-H1545 PolarHBondContact O-N 2.77Å; H1545-A1547 PolarHBondContact O-N 3.1Å
1546	S	40.1	Very low	35.3	Very low	60 Å²	60	102.7 Å²	102.7	42%	0.42	56%	0.56	S	S	.	*				-47.4	40.9	-104.9	-149	0	0	0	0	120.7	E1532 K1533 Q1544 Y1548	E1532-S1546 CarbonylContact C-O 3.16Å; E1532-S1546 PolarHBondContact O-OG 2.85Å; K1533-S1546 CarbonylContact C-O 2.85Å; K1533-S1546 PolarHBondContact N-O 2.95Å; Q1544-S1546 PolarHBondContact O-N 3.03Å; S1546-Y1548 PolarHBondContact O-N 3.3Å
1547	A	37.1	Very low	35.6	Very low	74 Å²	74	102.8 Å²	102.8	61%	0.612	57%	0.571	S	S	*	*			trans	-85.5	69.2	141	0	0	0	0	0	108.8	H1545 R1549	H1545-A1547 PolarHBondContact O-N 3.1Å; A1547-R1549 PolarHBondContact O-N 2.83Å
1548	Y	31	Very low	35.3	Very low	117 Å²	117	100.7 Å²	100.7	46%	0.459	57%	0.565	S	S	.	*			trans	-73.7	67.5	173.7	-152.5	-86.1	0	0	0	110.4	P1503 T1527 S1546	P1503-Y1548 HydrophobicContact CB-CE1 4.12Å; P1503-Y1548 WeakPolarHBondContact CB-OH 3.23Å; P1503-Y1548 HydrophobicContact CG-CE1 3.6Å; T1527-Y1548 HydrophobicContact CG2-CD1 4.44Å; T1527-Y1548 HydrophobicContact CG2-CE1 3.67Å; S1546-Y1548 PolarHBondContact O-N 3.3Å
1549	R	39.2	Very low	35.1	Very low	168 Å²	168	105.2 Å²	105.2	63%	0.634	59%	0.587	S	S	*	*			trans	-150.5	124.7	165.8	-77	-174.1	-178.1	-122.5	9.1	108.7	N1531 A1547	N1531-R1549 PolarHBondContact OD1-NH2 3.37Å; A1547-R1549 PolarHBondContact O-N 2.83Å
1550	S	30.7	Very low	35.1	Very low	78 Å²	78	108.5 Å²	108.5	55%	0.545	60%	0.6	S	S	.	*				76	123.1	53.3	-66.3	0	0	0	0	112.9
1551	N	31.7	Very low	35	Very low	119 Å²	119	114.7 Å²	114.7	64%	0.636	62%	0.624	S	S	*	*			cis	-151.2	168.3	7.5	-98.3	-9.7	0	0	0	113.5
1552	T	34.8	Very low	34.6	Very low	78 Å²	78	122 Å²	122	48%	0.479	65%	0.648	S	S	.	*			trans	-34.5	134.8	158.9	-37.2	0	0	0	0	114.2	S1500	S1500-T1552 WeakPolarHBondContact CB-OG1 3.34Å; S1500-T1552 WeakPolarHBondContact OG-CB 3.35Å; S1500-T1552 VanDerWaalsContact OG-CG2 3.28Å; S1500-T1552 WeakPolarHBondContact OG-CG2 3.43Å; S1500-T1552 PolarHBondContact OG-OG1 3.35Å
1553	R	34.9	Very low	34.7	Very low	236 Å²	236	126.2 Å²	126.2	89%	0.891	66%	0.664	S	S	*	*			trans	52.9	112.7	170.2	-77.8	179.1	164.4	-170.6	-5.1	116.2
1554	A	37.6	Very low	34.8	Very low	99 Å²	99	127.3 Å²	127.3	82%	0.818	66%	0.664	S	S	*	*				173.3	147	103.4	0	0	0	0	0	114.1
1555	S	32.3	Very low	34.8	Very low	110 Å²	110	129 Å²	129	77%	0.769	66%	0.663	S	S	*	*			trans	42.1	130.5	146.2	-161.6	0	0	0	0	122.6	C1557	S1555-C1557 PolarHBondContact O-N 3.38Å
1556	R	32.2	Very low	34.5	Very low	224 Å²	224	129.2 Å²	129.2	85%	0.845	67%	0.669	S	S	*	*			trans	-21.4	126	145.1	-58.4	172.4	179	175.8	-1.3	114.6
1557	C	42	Very low	34.2	Very low	141 Å²	141	131 Å²	131	95%	0.953	67%	0.673	S	S	*	*				-161.7	130.7	123.9	-118.3	0	0	0	0	108.3	S1555	S1555-C1557 PolarHBondContact O-N 3.38Å
1558	G	35.4	Very low	34.1	Very low	56 Å²	56	132.8 Å²	132.8	58%	0.577	67%	0.67	S	S	*	*			cis	-160.7	-133.5	-4.8	0	0	0	0	0	109.2
1559	T	34.8	Very low	34.2	Very low	123 Å²	123	128.3 Å²	128.3	76%	0.755	66%	0.656	S	S	*	*			trans	36.2	103.4	149.3	48.5	0	0	0	0	117.7
1560	T	32.3	Very low	33.8	Very low	107 Å²	107	124.7 Å²	124.7	66%	0.656	66%	0.657	S	S	*	*				35	123.4	103	68.1	0	0	0	0	114.9
1561	F	31.7	Very low	33.7	Very low	153 Å²	153	128.2 Å²	128.2	67%	0.671	67%	0.668	S	S	*	*			cis	178.4	-149.1	25.7	-138.7	-116.5	0	0	0	105
1562	Y	37	Very low	33.9	Very low	185 Å²	185	124.5 Å²	124.5	73%	0.725	65%	0.65	S	S	*	*			trans	43.4	102.5	147.2	-63.5	-51.8	0	0	0	119.6
1563	H	33.4	Very low	33.7	Very low	138 Å²	138	125 Å²	125	64%	0.639	66%	0.655	S	S	*	*				45.2	128.8	103.1	-90.9	-9.6	0	0	0	119.9
1564	K	33.3	Very low	33.7	Very low	128 Å²	128	120.8 Å²	120.8	56%	0.557	65%	0.649	S	S	*	*				68.2	118.8	127	-69	170.3	176.5	153.6	0	118
1565	R	30.2	Very low	33.5	Very low	198 Å²	198	123.8 Å²	123.8	75%	0.747	65%	0.648	S	S	*	*			trans	75.5	146	132.6	-63.9	167.1	-176.6	170	-4.5	116
1566	N	33.4	Very low	33.5	Very low	122 Å²	122	122.6 Å²	122.6	65%	0.652	64%	0.64	S	S	*	*			trans	22.6	115.4	131.2	-33.7	-4.3	0	0	0	116.1	M1568	N1566-M1568 HydrophobicContact CB-CG 3.78Å
1567	D	33.3	Very low	33.7	Very low	97 Å²	97	118.5 Å²	118.5	52%	0.519	63%	0.633	S	S	.	*				-96.2	114.7	117.8	-78.4	-71.1	0	0	0	106.3	F1030	F1030-D1567 HydrophobicContact CD1-CB 3.5Å; F1030-D1567 VanDerWaalsContact CD1-CB 3.5Å; F1030-D1567 WeakPolarHBondContact CD1-OD2 3.19Å; F1030-D1567 HydrophobicContact CE1-CB 3.74Å; F1030-D1567 WeakPolarHBondContact CE1-OD2 3.48Å
1568	M	35.2	Very low	34	Very low	111 Å²	111	120.8 Å²	120.8	55%	0.547	63%	0.627	S	S	.	*				60.8	127.9	53.7	-52.5	-167.7	61.9	0	0	110.1	S1031 S1032 N1566	S1031-M1568 WeakPolarHBondContact CB-O 3.43Å; S1032-M1568 CarbonylContact O-C 2.89Å; S1032-M1568 PolarHBondContact OG-O 3.33Å; S1032-M1568 VanDerWaalsContact OG-O 3.12Å; N1566-M1568 HydrophobicContact CB-CG 3.78Å
1569	S	32.5	Very low	34.4	Very low	23 Å²	23	123.1 Å²	123.1	16%	0.161	63%	0.632	C	S	.	*			cis	-172.9	157.5	9.8	18.2	0	0	0	0	114.4	S1032 Y1033	S1032-S1569 CarbonylContact O-C 3.31Å; S1032-S1569 PolarHBondContact O-N 2.93Å; S1032-S1569 PolarHBondContact OG-N 3.42Å; Y1033-S1569 WeakPolarHBondContact CD1-O 3.43Å; Y1033-S1569 WeakPolarHBondContact CE1-O 3.47Å; Y1033-S1569 WeakPolarHBondContact CE2-OG 3.44Å; Y1033-S1569 VanDerWaalsContact OH-CB 3.3Å; Y1033-S1569 WeakPolarHBondContact OH-CB 3.09Å; Y1033-S1569 PolarHBondContact OH-OG 2.77Å
1570	S	30.4	Very low	34.6	Very low	93 Å²	93	125.7 Å²	125.7	65%	0.65	64%	0.635	S	S	*	*	S	Bend		-162.1	130.8	129.7	56.6	0	0	0	0	108
1571	I	29.8	Very low	35.1	Very low	151 Å²	151	124.4 Å²	124.4	77%	0.774	64%	0.635	S	S	*	*	S	Bend	cis	-46.8	129.8	28.1	-60.7	173.8	0	0	0	117.5	Y1033	Y1033-I1571 PolarHBondContact OH-O 2.93Å
1572	P	35.4	Very low	35.5	Very low	41 Å²	41	121.8 Å²	121.8	27%	0.266	64%	0.636	S	S	.	*			trans	-82.5	156.9	173.2	-14.3	32.2	0	0	0	116.5	Y1033 S1034 L1574	Y1033-P1572 HydrophobicContact CD1-CB 4.12Å; Y1033-P1572 HydrophobicContact CD1-CG 4.25Å; Y1033-P1572 HydrophobicContact CE1-CB 3.62Å; Y1033-P1572 HydrophobicContact CE1-CG 3.92Å; Y1033-P1572 WeakPolarHBondContact OH-CA 3.32Å; S1034-P1572 WeakPolarHBondContact OG-CB 3.07Å; S1034-P1572 VanDerWaalsContact OG-CG 3.25Å; S1034-P1572 WeakPolarHBondContact OG-CG 3.5Å; P1572-L1574 PolarHBondContact O-N 2.87Å
1573	P	30.7	Very low	35.3	Very low	89 Å²	89	120.6 Å²	120.6	58%	0.578	64%	0.635	S	S	*	*			trans	-69.8	115.4	176	30.3	-36.4	0	0	0	110.9	Y1033	Y1033-P1573 VanDerWaalsContact OH-CD 3.24Å; Y1033-P1573 WeakPolarHBondContact OH-CD 3.28Å
1574	L	34.7	Very low	35.5	Very low	148 Å²	148	116.5 Å²	116.5	78%	0.775	62%	0.621	S	S	*	*			trans	-137.7	120.3	141.6	-67.6	177.3	0	0	0	104	P1572	P1572-L1574 PolarHBondContact O-N 2.87Å
1575	M	33.9	Very low	35.3	Very low	162 Å²	162	115.6 Å²	115.6	80%	0.798	62%	0.618	S	S	*	*			cis	-144.8	179.9	10.4	-107.3	161.6	59.2	0	0	112.7
1576	S	31.9	Very low	35.4	Very low	85 Å²	85	112.1 Å²	112.1	59%	0.594	61%	0.614	S	S	*	*			trans	-49.7	139.3	169.2	51.4	0	0	0	0	115.5
1577	I	35.8	Very low	35.2	Very low	137 Å²	137	112 Å²	112	70%	0.703	62%	0.623	S	S	*	*				66.5	106.1	129.5	-59.4	171.3	0	0	0	117.7
1578	K	49.4	Very low	35	Very low	190 Å²	190	119.1 Å²	119.1	83%	0.826	64%	0.644	S	S	*	*			trans	65.8	178.8	152.2	-59.5	172.3	-174.2	178.2	0	115.3
1579	P	43.2	Very low	34.6	Very low	105 Å²	105	116 Å²	116	68%	0.682	64%	0.636	S	S	*	*				-125.2	-168.9	-63.8	39.1	-26.2	0	0	0	110.9
1580	H	38.9	Very low	34.2	Very low	177 Å²	177	121.4 Å²	121.4	82%	0.819	67%	0.668	S	S	*	*			trans	63	123.2	157.9	-87.2	-86.2	0	0	0	120.3
1581	A	43.3	Very low	34.4	Very low	80 Å²	80	120.4 Å²	120.4	66%	0.661	66%	0.656	S	S	*	*				73.6	150.7	126.8	0	0	0	0	0	121.6
1582	S	39.8	Very low	35.2	Very low	98 Å²	98	116 Å²	116	69%	0.685	64%	0.639	S	S	*	*			trans	67.5	109.9	162.8	27.2	0	0	0	0	117.2
1583	F	32.2	Very low	35.5	Very low	160 Å²	160	121.6 Å²	121.6	70%	0.702	67%	0.665	S	S	*	*				72.1	156	55.3	-66.3	-55.3	0	0	0	112.2	E1585	F1583-E1585 VanDerWaalsContact CD1-CD 3.47Å; F1583-E1585 HydrophobicContact CD1-CG 3.91Å; F1583-E1585 VanDerWaalsContact CD1-OE2 3.23Å; F1583-E1585 WeakPolarHBondContact CD1-OE2 3.33Å; F1583-E1585 HydrophobicContact CE1-CG 4.18Å
1584	P	37.9	Very low	36	Very low	52 Å²	52	121.8 Å²	121.8	34%	0.338	67%	0.668	S	S	.	*			cis	-98.7	170.1	-2.2	36.2	-37.9	0	0	0	115.4	D1591 S1592	P1584-D1591 HydrophobicContact CB-CB 3.87Å; P1584-D1591 HydrophobicContact CG-CB 3.48Å; P1584-D1591 VanDerWaalsContact CG-CB 3.48Å; P1584-D1591 WeakPolarHBondContact CG-OD1 3.39Å; P1584-D1591 VanDerWaalsContact CG-OD2 3.24Å; P1584-D1591 WeakPolarHBondContact CG-OD2 3.17Å; P1584-D1591 CarbonylContact O-C 2.9Å; P1584-S1592 VanDerWaalsContact O-CB 3.26Å; P1584-S1592 WeakPolarHBondContact O-CB 3.34Å; P1584-S1592 PolarHBondContact O-N 2.83Å
1585	E	29	Very low	36.1	Very low	109 Å²	109	120.1 Å²	120.1	51%	0.509	67%	0.665	S	S	.	*			trans	-115.7	160.2	-167.5	-28.6	93.8	104.8	0	0	116.5	F1583 D1591	F1583-E1585 VanDerWaalsContact CD1-CD 3.47Å; F1583-E1585 HydrophobicContact CD1-CG 3.91Å; F1583-E1585 VanDerWaalsContact CD1-OE2 3.23Å; F1583-E1585 WeakPolarHBondContact CD1-OE2 3.33Å; F1583-E1585 HydrophobicContact CE1-CG 4.18Å; E1585-D1591 CarbonylContact C-O 3.25Å
1586	N	33.1	Very low	35.9	Very low	124 Å²	124	119.6 Å²	119.6	66%	0.663	65%	0.654	S	S	*	*			trans	65.6	155.6	150.8	-60	-43.5	0	0	0	120.7	A1589 D1591	N1586-A1589 VanDerWaalsContact O-CB 3.25Å; N1586-A1589 WeakPolarHBondContact O-CB 3.41Å; N1586-D1591 PolarHBondContact N-O 3.02Å
1587	S	29.2	Very low	35.9	Very low	119 Å²	119	116.5 Å²	116.5	83%	0.832	63%	0.634	S	S	*	*	S	Bend	trans	75.8	-152.3	166.2	84.6	0	0	0	0	116.8	A1589	S1587-A1589 PolarHBondContact O-N 3.19Å; S1587-A1589 VanDerWaalsContact O-N 3.12Å
1588	Y	29	Very low	35.7	Very low	247 Å²	247	114 Å²	114	97%	0.969	62%	0.622	S	S	*	*	S	Bend	trans	-81	87.9	-180	-104.4	-79.5	0	0	0	109.1
1589	A	27.2	Very low	34.9	Very low	46 Å²	46	111.5 Å²	111.5	38%	0.38	61%	0.607	S	S	.	*	S	Bend	trans	-156.9	148	-152.2	0	0	0	0	0	108.5	N1586 S1587 D1591	N1586-A1589 VanDerWaalsContact O-CB 3.25Å; N1586-A1589 WeakPolarHBondContact O-CB 3.41Å; S1587-A1589 PolarHBondContact O-N 3.19Å; S1587-A1589 VanDerWaalsContact O-N 3.12Å; A1589-D1591 HydrophobicContact CB-CB 4.16Å; A1589-D1591 WeakPolarHBondContact CB-O 3.06Å
1590	V	23.2	Very low	34.6	Very low	137 Å²	137	111.8 Å²	111.8	83%	0.83	61%	0.607	S	S	*	*	S	Bend	cis	42.1	67.7	13.1	-172.2	0	0	0	0	109.7
1591	D	33.6	Very low	34.4	Very low	72 Å²	72	109 Å²	109	39%	0.385	59%	0.594	S	S	.	*			trans	122.8	102.1	178.5	-61	-9.7	0	0	0	113.9	P1584 E1585 N1586 A1589	P1584-D1591 HydrophobicContact CB-CB 3.87Å; P1584-D1591 HydrophobicContact CG-CB 3.48Å; P1584-D1591 VanDerWaalsContact CG-CB 3.48Å; P1584-D1591 WeakPolarHBondContact CG-OD1 3.39Å; P1584-D1591 VanDerWaalsContact CG-OD2 3.24Å; P1584-D1591 WeakPolarHBondContact CG-OD2 3.17Å; P1584-D1591 CarbonylContact O-C 2.9Å; E1585-D1591 CarbonylContact C-O 3.25Å; N1586-D1591 PolarHBondContact N-O 3.02Å; A1589-D1591 HydrophobicContact CB-CB 4.16Å; A1589-D1591 WeakPolarHBondContact CB-O 3.06Å
1592	S	46.5	Very low	34	Very low	59 Å²	59	114.5 Å²	114.5	41%	0.413	60%	0.598	S	S	.	*			cis	-166.5	151.3	-39	-105.6	0	0	0	0	110.6	P1584	P1584-S1592 VanDerWaalsContact O-CB 3.26Å; P1584-S1592 WeakPolarHBondContact O-CB 3.34Å; P1584-S1592 PolarHBondContact O-N 2.83Å
1593	L	43	Very low	33.7	Very low	157 Å²	157	119.6 Å²	119.6	82%	0.822	61%	0.608	S	S	*	*			trans	60.5	140	149.9	-93.7	63.3	0	0	0	121
1594	S	41.2	Very low	33.7	Very low	93 Å²	93	117.3 Å²	117.3	65%	0.65	61%	0.611	S	S	*	*			cis	-149	129.8	3	-50.1	0	0	0	0	114.4
1595	T	37	Very low	33.2	Very low	113 Å²	113	123.2 Å²	123.2	69%	0.693	64%	0.635	S	S	*	*			trans	20.6	126.9	138.4	5.6	0	0	0	0	123.8	Y1045	Y1045-T1595 HydrophobicContact CD1-CG2 3.93Å
1596	W	29.6	Very low	33.4	Very low	151 Å²	151	124.2 Å²	124.2	57%	0.572	65%	0.648	S	S	*	*			trans	-161	165.3	148	68.7	-46.2	0	0	0	106	Y1045 Y1046 W1047	Y1045-W1596 VanDerWaalsContact CE1-CA 3.49Å; Y1045-W1596 HydrophobicContact CE1-CB 4.44Å; Y1046-W1596 VanDerWaalsContact CB-O 3.23Å; Y1046-W1596 WeakPolarHBondContact CB-O 3.2Å; Y1046-W1596 VanDerWaalsContact CD2-C 3.42Å; Y1046-W1596 AromaticContact CD2-CD2 3.93Å; Y1046-W1596 HydrophobicContact CD2-CD2 3.93Å; Y1046-W1596 HydrophobicContact CD2-CE3 4.43Å; Y1046-W1596 AromaticContact CD2-CG 3.95Å; Y1046-W1596 HydrophobicContact CD2-CG 3.95Å; Y1046-W1596 WeakPolarHBondContact CD2-O 3.38Å; Y1046-W1596 AromaticContact CE2-CD2 3.6Å; Y1046-W1596 HydrophobicContact CE2-CD2 3.6Å; Y1046-W1596 AromaticContact CE2-CE2 3.86Å; Y1046-W1596 AromaticContact CE2-CE3 3.69Å; Y1046-W1596 HydrophobicContact CE2-CE3 3.69Å; Y1046-W1596 HydrophobicContact CE2-CG 4.1Å; Y1046-W1596 HydrophobicContact CE2-CH2 4.26Å; Y1046-W1596 HydrophobicContact CE2-CZ2 4.19Å; Y1046-W1596 HydrophobicContact CE2-CZ3 4.02Å; W1047-W1596 HydrophobicContact CZ2-CZ2 4.13Å; W1047-W1596 AromaticContact NE1-NE1 3.67Å
1597	A	31.9	Very low	33	Very low	21 Å²	21	124.3 Å²	124.3	17%	0.174	65%	0.653	C	S	.	*			cis	-153.5	160.3	-11.7	0	0	0	0	0	110.9	Y1045 Y1046	Y1045-A1597 HydrophobicContact CE2-CB 4.4Å; Y1045-A1597 VanDerWaalsContact CG-CA 3.46Å; Y1046-A1597 WeakPolarHBondContact CA-O 3.15Å; Y1046-A1597 VanDerWaalsContact CD1-O 3.31Å; Y1046-A1597 WeakPolarHBondContact CD1-O 3.16Å; Y1046-A1597 HydrophobicContact CD2-CB 3.68Å; Y1046-A1597 HydrophobicContact CE1-CB 4.43Å; Y1046-A1597 HydrophobicContact CE2-CB 3.48Å; Y1046-A1597 VanDerWaalsContact CE2-CB 3.48Å; Y1046-A1597 HydrophobicContact CG-CB 4.22Å; Y1046-A1597 VanDerWaalsContact CG-N 3.3Å; Y1046-A1597 VanDerWaalsContact CG-O 3.23Å; Y1046-A1597 PolarHBondContact N-O 2.8Å
1598	N	31.3	Very low	32.9	Very low	84 Å²	84	123.4 Å²	123.4	45%	0.449	65%	0.647	S	S	.	*			trans	-171.8	169.9	176.2	-138.7	-6.5	0	0	0	110.4	Y1045 T1600	Y1045-N1598 HydrophobicContact CD2-CB 3.9Å; Y1045-N1598 VanDerWaalsContact CE2-N 3.28Å; N1598-T1600 PolarHBondContact OD1-OG1 2.93Å
1599	R	33.5	Very low	33	Very low	138 Å²	138	119.6 Å²	119.6	52%	0.521	64%	0.635	S	S	.	*			cis	-127.4	160.8	-6.1	-66.1	175.3	-178	154.6	-0.3	108.7	E1042 Q1043	E1042-R1599 VanDerWaalsContact C-NH2 3.33Å; E1042-R1599 PolarHBondContact O-NH1 2.7Å; E1042-R1599 PolarHBondContact O-NH2 3.48Å; Q1043-R1599 PolarHBondContact O-NH2 3.26Å
1600	T	35.7	Very low	33	Very low	111 Å²	111	122.6 Å²	122.6	68%	0.681	65%	0.645	S	S	*	*			cis	91.7	151.1	15	-39.1	0	0	0	0	115.4	N1598	N1598-T1600 PolarHBondContact OD1-OG1 2.93Å
1601	E	35.7	Very low	33.2	Very low	118 Å²	118	122.5 Å²	122.5	55%	0.551	64%	0.64	S	S	*	*			trans	94.1	149.4	159.7	-53.2	-162	163.4	0	0	120.4
1602	R	34.3	Very low	32.8	Very low	196 Å²	196	122.6 Å²	122.6	74%	0.74	65%	0.646	S	S	*	*			cis	-163.9	164.7	-11.2	-114.8	173.8	-157	177.4	17	113
1603	K	34.1	Very low	31.9	Very low	205 Å²	205	122.1 Å²	122.1	89%	0.891	64%	0.639	S	S	*	*			trans	-134.9	149.1	132.4	-88.1	-170.9	178.4	-177.7	0	106.6
1604	S	31.7	Very low	31.4	Very low	111 Å²	111	120.9 Å²	120.9	78%	0.776	63%	0.627	S	S	*	*			cis	-147.5	138.3	6.7	51.3	0	0	0	0	111.9
1605	E	27.9	Very low	30.8	Very low	177 Å²	177	123.3 Å²	123.3	83%	0.827	63%	0.626	S	S	*	*			trans	-151.8	135.3	150	-168.3	168.2	-135.8	0	0	109.1
1606	T	32.4	Very low	30.5	Very low	129 Å²	129	121.7 Å²	121.7	79%	0.791	62%	0.619	S	S	*	*			trans	57.8	155.4	-177.1	55.8	0	0	0	0	118.7
1607	V	25.4	Very low	30.4	Very low	127 Å²	127	123.2 Å²	123.2	77%	0.77	63%	0.633	S	S	*	*				-162.4	154.2	-50.9	117	0	0	0	0	109.3
1608	S	26.4	Very low	30.4	Very low	99 Å²	99	127.7 Å²	127.7	69%	0.692	66%	0.663	S	S	*	*			trans	66.9	115.4	164.2	-75.7	0	0	0	0	122
1609	K	30.7	Very low	30.5	Very low	167 Å²	167	133.9 Å²	133.9	73%	0.726	68%	0.679	S	S	*	*				78.7	116.9	123.5	-64.8	-158.7	167.6	-169.3	0	123.4
1610	D	28.2	Very low	30.5	Very low	109 Å²	109	134 Å²	134	58%	0.583	68%	0.684	S	S	*	*				58	124.8	110.7	-41	-21.7	0	0	0	122
1611	D	27.4	Very low	30.3	Very low	136 Å²	136	134.6 Å²	134.6	73%	0.727	68%	0.679	S	S	*	*			trans	61.1	138.9	139.3	-69.1	-27.2	0	0	0	124.4
1612	S	25.8	Very low	30.1	Very low	73 Å²	73	137.5 Å²	137.5	51%	0.51	69%	0.69	S	S	.	*			trans	71.8	157.9	150.8	84.2	0	0	0	0	117.7	T1002	T1002-S1612 WeakPolarHBondContact CB-O 3.49Å; T1002-S1612 WeakPolarHBondContact CG2-O 3.34Å; T1002-S1612 VanDerWaalsContact OG1-C 3.25Å; T1002-S1612 PolarHBondContact OG1-O 3.39Å
1613	D	27.7	Very low	30	Very low	50 Å²	50	136.9 Å²	136.9	27%	0.267	69%	0.689	S	S	.	*			cis	-147.8	-53.9	-33	-168.8	-67.2	0	0	0	110.4	T1002 S1003 Y1004	T1002-D1613 PolarHBondContact OG1-N 2.9Å; S1003-D1613 CarbonylContact C-O 3.13Å; S1003-D1613 WeakPolarHBondContact CA-O 3.31Å; S1003-D1613 PolarHBondContact N-O 3.29Å; Y1004-D1613 HydrophobicContact CD2-CB 4.32Å; Y1004-D1613 WeakPolarHBondContact CD2-O 3.27Å; Y1004-D1613 HydrophobicContact CE2-CB 4.31Å; Y1004-D1613 PolarHBondContact N-O 3.49Å
1614	K	31.9	Very low	29.8	Very low	131 Å²	131	133.7 Å²	133.7	57%	0.57	68%	0.677	S	S	*	*			trans	-118.7	136	-151.6	-72.5	-168.7	-177.8	166.1	0	120	S1001 T1002	S1001-K1614 CarbonylContact C-O 3.59Å; S1001-K1614 WeakPolarHBondContact CA-O 3.47Å; S1001-K1614 WeakPolarHBondContact CB-O 3.13Å; T1002-K1614 CarbonylContact O-C 3.45Å; T1002-K1614 PolarHBondContact OG1-N 2.92Å
1615	F	28.7	Very low	29.9	Very low	144 Å²	144	132.8 Å²	132.8	63%	0.632	67%	0.667	S	S	*	*			trans	62.3	98.4	144.4	-80.9	-103.1	0	0	0	123.4	T1002 S1003	T1002-F1615 PolarHBondContact O-N 2.78Å; S1003-F1615 WeakPolarHBondContact OG-CA 3.2Å; S1003-F1615 PolarHBondContact OG-N 3.42Å
1616	S	29.9	Very low	29.7	Very low	78 Å²	78	132.4 Å²	132.4	55%	0.545	67%	0.67	S	S	.	*				71.3	154.5	103.2	-72.7	0	0	0	0	123.7	S1003	S1003-S1616 PolarHBondContact OG-N 2.67Å
1617	Q	28	Very low	29.7	Very low	184 Å²	184	133.7 Å²	133.7	86%	0.86	67%	0.668	S	S	*	*			trans	83	128.2	152.5	-81.6	-175.7	7.7	0	0	121.3
1618	S	30.8	Very low	29.8	Very low	115 Å²	115	133.9 Å²	133.9	80%	0.804	66%	0.664	S	S	*	*			trans	72.9	150.2	162.3	87.9	0	0	0	0	116
1619	R	34.9	Very low	30	Very low	213 Å²	213	134 Å²	134	80%	0.804	66%	0.661	S	S	*	*			cis	-150.7	137.4	2.2	-148.6	-178.8	-166.3	-164.4	6.9	110.6
1620	K	33.6	Very low	29.8	Very low	140 Å²	140	134 Å²	134	61%	0.609	66%	0.661	S	S	*	*			trans	43.2	125.9	149.7	-79.7	170.9	148.2	-80.7	0	120.1
1621	E	30.4	Very low	29.7	Very low	125 Å²	125	136.3 Å²	136.3	58%	0.584	67%	0.668	S	S	*	*			trans	68.7	119	132.6	-62.5	157.7	-169.3	0	0	116.7
1622	F	31.5	Very low	29.8	Very low	179 Å²	179	137.9 Å²	137.9	79%	0.785	67%	0.671	S	S	*	*			cis	-162.9	154.6	0.3	-90.5	-52.1	0	0	0	106.8
1623	Y	32.5	Very low	30.3	Very low	182 Å²	182	139.6 Å²	139.6	71%	0.714	68%	0.675	S	S	*	*			cis	-160.2	125.4	-15.2	-166.8	-116.8	0	0	0	103.6
1624	E	29.9	Very low	30.2	Very low	139 Å²	139	140.9 Å²	140.9	65%	0.65	69%	0.685	S	S	*	*				55.4	137.4	79	-85.7	-160.4	129.9	0	0	114.8
1625	V	33.1	Very low	30.2	Very low	92 Å²	92	139.6 Å²	139.6	56%	0.558	69%	0.69	S	S	*	*			cis	-156.7	157.7	-11.7	84.7	0	0	0	0	110	Q1627	V1625-Q1627 HydrophobicContact CG1-CB 3.91Å
1626	N	25.5	Very low	30.2	Very low	168 Å²	168	141.2 Å²	141.2	90%	0.898	70%	0.699	S	S	*	*			trans	-107.2	127.5	153.8	-154	14.3	0	0	0	106.1
1627	Q	31.1	Very low	30.1	Very low	157 Å²	157	140.9 Å²	140.9	73%	0.734	71%	0.708	S	S	*	*			trans	-128.9	143.3	-172.1	-170.3	164.4	102.2	0	0	112.7	V1625	V1625-Q1627 HydrophobicContact CG1-CB 3.91Å
1628	D	27.9	Very low	30.1	Very low	131 Å²	131	137.7 Å²	137.7	70%	0.701	70%	0.697	S	S	*	*			trans	-52.9	146.3	-179.7	-87	-75.4	0	0	0	116.6
1629	T	31.8	Very low	29.9	Very low	100 Å²	100	136.1 Å²	136.1	61%	0.613	70%	0.698	S	S	*	*				26.2	120	108.9	-29.2	0	0	0	0	116.6
1630	F	25.8	Very low	29.8	Very low	169 Å²	169	132 Å²	132	74%	0.741	69%	0.687	S	S	*	*				179.3	141.5	107.6	-109.1	-78.2	0	0	0	115.6
1631	E	25	Very low	29.7	Very low	156 Å²	156	131.9 Å²	131.9	73%	0.729	70%	0.698	S	S	*	*			trans	66.6	155.4	145.8	-104.5	157.8	-143.6	0	0	123
1632	E	29.8	Very low	29.9	Very low	169 Å²	169	132 Å²	132	79%	0.79	70%	0.696	S	S	*	*			trans	57.5	124	168.6	-63	180	156.7	0	0	117.8
1633	D	35.9	Very low	30	Very low	109 Å²	109	129.4 Å²	129.4	58%	0.583	70%	0.695	S	S	*	*			cis	-154.5	163.8	14.1	-144.6	-21.4	0	0	0	115.1	R1348	R1348-D1633 PolarHBondContact NH1-O 2.89Å; R1348-D1633 PolarHBondContact NH2-O 3.44Å
1634	T	26.2	Very low	29.8	Very low	78 Å²	78	126.7 Å²	126.7	48%	0.479	70%	0.697	S	S	.	*			trans	-57.6	145.8	172.1	-28	0	0	0	0	111.6
1635	P	32.7	Very low	29.8	Very low	104 Å²	104	124.8 Å²	124.8	68%	0.675	70%	0.699	S	S	*	*				-134.2	151	66.3	14.1	11.7	0	0	0	114.2
1636	H	28.7	Very low	29.5	Very low	177 Å²	177	130.4 Å²	130.4	82%	0.819	72%	0.716	S	S	*	*				71.5	135.1	72	-58.1	-42.6	0	0	0	116.9
1637	G	26.8	Very low	29.7	Very low	71 Å²	71	127.1 Å²	127.1	73%	0.732	71%	0.712	S	S	*	*			trans	108.2	138.3	165.2	0	0	0	0	0	113.8
1638	D	29.2	Very low	29.7	Very low	117 Å²	117	124.8 Å²	124.8	63%	0.626	71%	0.714	S	S	*	*			cis	-129.4	95.5	2	-124.3	25.5	0	0	0	111.1	F1640 K1642	D1638-F1640 VanDerWaalsContact C-N 3.29Å; D1638-F1640 PolarHBondContact O-N 2.66Å; D1638-F1640 VanDerWaalsContact O-N 3.12Å; D1638-K1642 IonicContact OD1-NZ 2.73Å; D1638-K1642 IonicContact OD2-NZ 2.78Å; D1638-K1642 PolarHBondContact OD2-NZ 3.34Å
1639	G	25.3	Very low	29.9	Very low	82 Å²	82	126.7 Å²	126.7	85%	0.845	72%	0.715	S	S	*	*			trans	-76.5	83.2	156.1	0	0	0	0	0	108.8
1640	F	33.6	Very low	29.9	Very low	128 Å²	128	132.3 Å²	132.3	56%	0.561	73%	0.727	S	S	*	*			trans	-141.4	85.5	-178	-102.5	-55.1	0	0	0	115.4	D1638 K1642	D1638-F1640 VanDerWaalsContact C-N 3.29Å; D1638-F1640 PolarHBondContact O-N 2.66Å; D1638-F1640 VanDerWaalsContact O-N 3.12Å; F1640-K1642 HydrophobicContact CB-CB 4.48Å; F1640-K1642 HydrophobicContact CB-CD 4.02Å; F1640-K1642 HydrophobicContact CB-CG 4.07Å; F1640-K1642 HydrophobicContact CD1-CB 4.33Å; F1640-K1642 HydrophobicContact CD1-CD 4.29Å; F1640-K1642 HydrophobicContact CD1-CG 3.62Å; F1640-K1642 HydrophobicContact CD2-CD 4.49Å; F1640-K1642 HydrophobicContact CE1-CG 4.2Å; F1640-K1642 HydrophobicContact CG-CD 4.03Å; F1640-K1642 HydrophobicContact CG-CG 3.88Å; F1640-K1642 PolarHBondContact O-N 3.3Å
1641	T	30.1	Very low	30.5	Very low	136 Å²	136	133.5 Å²	133.5	83%	0.834	73%	0.732	S	S	*	*			trans	-60.8	88.5	139	-53.1	0	0	0	0	107.6	V1643	T1641-V1643 VanDerWaalsContact C-N 3.3Å; T1641-V1643 PolarHBondContact O-N 2.98Å
1642	K	35.4	Very low	30.9	Very low	127 Å²	127	131 Å²	131	55%	0.552	74%	0.739	S	S	*	*			trans	-74.8	78	-171.7	-120	151.8	-162.4	154.4	0	111.9	D1638 F1640 V1644	D1638-K1642 IonicContact OD1-NZ 2.73Å; D1638-K1642 IonicContact OD2-NZ 2.78Å; D1638-K1642 PolarHBondContact OD2-NZ 3.34Å; F1640-K1642 HydrophobicContact CB-CB 4.48Å; F1640-K1642 HydrophobicContact CB-CD 4.02Å; F1640-K1642 HydrophobicContact CB-CG 4.07Å; F1640-K1642 HydrophobicContact CD1-CB 4.33Å; F1640-K1642 HydrophobicContact CD1-CD 4.29Å; F1640-K1642 HydrophobicContact CD1-CG 3.62Å; F1640-K1642 HydrophobicContact CD2-CD 4.49Å; F1640-K1642 HydrophobicContact CE1-CG 4.2Å; F1640-K1642 HydrophobicContact CG-CD 4.03Å; F1640-K1642 HydrophobicContact CG-CG 3.88Å; F1640-K1642 PolarHBondContact O-N 3.3Å; K1642-V1644 PolarHBondContact O-N 3.02Å
1643	V	33.3	Very low	31.1	Very low	126 Å²	126	134.2 Å²	134.2	76%	0.764	74%	0.743	S	S	*	*			trans	-61.4	118	153.8	-175.7	0	0	0	0	106.9	T1641	T1641-V1643 VanDerWaalsContact C-N 3.3Å; T1641-V1643 PolarHBondContact O-N 2.98Å
1644	V	29.2	Very low	31.1	Very low	124 Å²	124	139.1 Å²	139.1	75%	0.752	75%	0.754	S	S	*	*			trans	-77.7	130.5	-172.5	173.9	0	0	0	0	111	K1642	K1642-V1644 PolarHBondContact O-N 3.02Å
1645	S	29.3	Very low	31.4	Very low	100 Å²	100	144.1 Å²	144.1	70%	0.699	76%	0.764	S	S	*	*			trans	-149	103	157.7	-89.7	0	0	0	0	114.9	A1647	S1645-A1647 PolarHBondContact O-N 3Å; S1645-A1647 VanDerWaalsContact O-N 3.15Å
1646	K	27.7	Very low	31.3	Very low	209 Å²	209	145.8 Å²	145.8	91%	0.909	76%	0.764	S	S	*	*	S	Bend	trans	49.3	46.2	135.2	-60.2	179	178.4	172.4	0	119.2
1647	A	28.3	Very low	31.5	Very low	99 Å²	99	144.3 Å²	144.3	82%	0.818	76%	0.758	S	S	*	*			trans	-136.5	23.2	173.1	0	0	0	0	0	117	S1645	S1645-A1647 PolarHBondContact O-N 3Å; S1645-A1647 VanDerWaalsContact O-N 3.15Å
1648	S	32.1	Very low	31.7	Very low	109 Å²	109	147.8 Å²	147.8	76%	0.762	76%	0.755	S	S	*	*			trans	-153.3	108.7	161.4	-169.6	0	0	0	0	113.1
1649	K	31.7	Very low	31.9	Very low	170 Å²	170	150.5 Å²	150.5	74%	0.739	76%	0.764	S	S	*	*	S	Bend	trans	-148.6	19	165.2	-156	166.5	-177.4	169.1	0	112.8
1650	Y	32	Very low	32.2	Very low	218 Å²	218	152.8 Å²	152.8	86%	0.855	76%	0.761	S	S	*	*	S	Bend	trans	-143.6	9.7	-171.1	-104	-70.7	0	0	0	117.2
1651	F	37.6	Very low	32.1	Very low	194 Å²	194	151.7 Å²	151.7	85%	0.851	77%	0.77	S	S	*	*	S	Bend	trans	-127.4	21.6	175.1	-114.1	-81.8	0	0	0	116.1
1652	A	33.8	Very low	31.9	Very low	105 Å²	105	151.5 Å²	151.5	87%	0.868	77%	0.768	S	S	*	*	S	Bend	trans	-111.6	43.1	166.5	0	0	0	0	0	111.6
1653	R	33.3	Very low	31.4	Very low	235 Å²	235	151 Å²	151	89%	0.887	78%	0.78	S	S	*	*	S	Bend	trans	-134.1	38.6	172.7	-158.9	-175.2	-85.4	-144.7	-4.1	112.6
1654	R	36.2	Very low	31.4	Very low	213 Å²	213	148.7 Å²	148.7	80%	0.804	78%	0.782	S	S	*	*	S	Bend	trans	-177.3	133.6	159.7	-104	-172.4	-101.2	-173.4	-6.8	106.8
1655	R	32.9	Very low	31.5	Very low	182 Å²	182	149.5 Å²	149.5	69%	0.687	78%	0.782	S	S	*	*			cis	-166.3	126.3	-11.2	-153.5	-175.5	-168.4	157.5	0.4	110	Q1657	R1655-Q1657 HydrophobicContact CG-CB 4.32Å; R1655-Q1657 VanDerWaalsContact CZ-OE1 3.32Å
1656	M	31.5	Very low	31.4	Very low	140 Å²	140	151.7 Å²	151.7	69%	0.69	79%	0.785	S	S	*	*			trans	-152.9	139.4	131.4	-76.4	-144	-79.1	0	0	105.9
1657	Q	33.2	Very low	31.2	Very low	145 Å²	145	145.9 Å²	145.9	68%	0.678	77%	0.771	S	S	*	*			cis	47.3	75.1	-3.3	-70.5	-166.7	-44	0	0	113.4	R1655	R1655-Q1657 HydrophobicContact CG-CB 4.32Å; R1655-Q1657 VanDerWaalsContact CZ-OE1 3.32Å
1658	Q	29.9	Very low	31.1	Very low	145 Å²	145	146.4 Å²	146.4	68%	0.678	76%	0.764	S	S	*	*			trans	-50.9	153.2	168.5	-69.6	164.1	-18.5	0	0	111.8
1659	E	33.5	Very low	31.2	Very low	174 Å²	174	151 Å²	151	81%	0.813	76%	0.764	S	S	*	*			trans	-34.9	134.4	163.2	-55.7	169.6	160.6	0	0	114.7
1660	V	31.9	Very low	31.5	Very low	130 Å²	130	151.4 Å²	151.4	79%	0.788	76%	0.761	S	S	*	*				-168.4	153.8	124.8	138.9	0	0	0	0	107.9
1661	S	31.8	Very low	31.2	Very low	105 Å²	105	144.9 Å²	144.9	73%	0.734	75%	0.747	S	S	*	*			trans	64.6	79.9	-174	-55.4	0	0	0	0	113.4
1662	V	24.9	Very low	30.9	Very low	131 Å²	131	143.2 Å²	143.2	79%	0.794	75%	0.747	S	S	*	*				70.3	136.9	50.6	-173.4	0	0	0	0	113.1
1663	S	25.9	Very low	30.7	Very low	117 Å²	117	141.3 Å²	141.3	82%	0.818	74%	0.738	S	S	*	*			trans	59.1	104.3	172.9	-65.9	0	0	0	0	117.6
1664	G	31.9	Very low	30.7	Very low	77 Å²	77	139.3 Å²	139.3	79%	0.794	74%	0.736	S	S	*	*			trans	-145.5	10.6	169.3	0	0	0	0	0	114.7
1665	D	31.4	Very low	30.4	Very low	142 Å²	142	133.2 Å²	133.2	76%	0.759	73%	0.726	S	S	*	*			trans	55	123.9	179.7	-74.9	-25.6	0	0	0	117.8
1666	L	26.9	Very low	30.3	Very low	146 Å²	146	134.6 Å²	134.6	76%	0.764	73%	0.732	S	S	*	*				67.4	71.4	71.9	-151.4	81.2	0	0	0	113.4
1667	S	24.7	Very low	30.3	Very low	87 Å²	87	133.7 Å²	133.7	61%	0.608	73%	0.73	S	S	*	*				80.9	-179.8	123.9	85.5	0	0	0	0	119.8
1668	T	26.9	Very low	30.1	Very low	109 Å²	109	134.5 Å²	134.5	67%	0.669	74%	0.737	S	S	*	*			trans	46.6	87.3	154.4	57.9	0	0	0	0	118.5
1669	R	33.1	Very low	30.4	Very low	205 Å²	205	130.6 Å²	130.6	77%	0.774	74%	0.735	S	S	*	*	S	Bend		-150.7	147.8	93.7	-71.9	-158.8	174.3	-171.7	-0	110.3
1670	R	37.4	Very low	30.3	Very low	180 Å²	180	130.5 Å²	130.5	68%	0.679	74%	0.741	S	S	*	*			cis	-155.5	122.5	-22.1	-102	173	-176.2	-176.7	-4.3	102.2
1671	S	26	Very low	30.7	Very low	80 Å²	80	130.3 Å²	130.3	56%	0.559	74%	0.739	S	S	*	*				61.3	136.2	58.8	93.7	0	0	0	0	113.2
1672	N	31.6	Very low	31.1	Very low	159 Å²	159	131.1 Å²	131.1	85%	0.85	74%	0.74	S	S	*	*			trans	75.1	129	177.5	-41.9	15.9	0	0	0	113.8
1673	G	30.7	Very low	31.7	Very low	66 Å²	66	132.9 Å²	132.9	68%	0.68	74%	0.739	S	S	*	*			cis	166.2	171.5	-8.2	0	0	0	0	0	113.5
1674	F	31.7	Very low	32.1	Very low	192 Å²	192	132.7 Å²	132.7	84%	0.842	73%	0.733	S	S	*	*			trans	62.7	101.7	162.9	-76.7	-93.3	0	0	0	120.7
1675	S	30.5	Very low	32.1	Very low	85 Å²	85	137.6 Å²	137.6	59%	0.594	73%	0.729	S	S	*	*				73.4	125.3	106.4	-152	0	0	0	0	121.7
1676	R	31.3	Very low	32.2	Very low	212 Å²	212	136 Å²	136	80%	0.8	73%	0.729	S	S	*	*			trans	89.9	136.2	137.3	-97.8	-173.3	-82.2	-158.2	-3.2	122.6
1677	N	30.9	Very low	32.6	Very low	121 Å²	121	137.5 Å²	137.5	65%	0.647	73%	0.729	S	S	*	*			trans	77.3	111.3	146.6	-70.7	5.8	0	0	0	122
1678	I	29.7	Very low	32.9	Very low	162 Å²	162	140.7 Å²	140.7	83%	0.831	74%	0.735	S	S	*	*				57.9	125.1	116.7	-59	165.1	0	0	0	117.5
1679	G	36	Very low	33.3	Very low	62 Å²	62	139 Å²	139	64%	0.639	74%	0.738	S	S	*	*			trans	163.5	63	169.1	0	0	0	0	0	113.9
1680	N	32.1	Very low	33.2	Very low	173 Å²	173	134.1 Å²	134.1	93%	0.925	74%	0.736	S	S	*	*			trans	-81.4	120.5	161.4	-81.6	4.6	0	0	0	108
1681	V	38.3	Very low	32.8	Very low	125 Å²	125	131 Å²	131	76%	0.758	74%	0.737	S	S	*	*			trans	-145	120	177	-180	0	0	0	0	110.2
1682	T	41.5	Very low	33.2	Very low	122 Å²	122	134.5 Å²	134.5	75%	0.748	75%	0.748	S	S	*	*			trans	-172.4	110.1	144.6	26.5	0	0	0	0	105.9
1683	Q	36.2	Very low	33.1	Very low	168 Å²	168	131.4 Å²	131.4	79%	0.785	74%	0.736	S	S	*	*				89	147.2	76.7	-88.9	-168.8	-19.6	0	0	112.2
1684	V	35.4	Very low	33.3	Very low	114 Å²	114	134.6 Å²	134.6	69%	0.691	74%	0.742	S	S	*	*			cis	-169.8	170	-15.3	80.5	0	0	0	0	106.4
1685	Y	31.5	Very low	33.1	Very low	180 Å²	180	130.8 Å²	130.8	71%	0.706	74%	0.735	S	S	*	*			cis	-160	147.4	-4	-154.5	-30.6	0	0	0	105.9
1686	S	33	Very low	33.2	Very low	109 Å²	109	134.2 Å²	134.2	76%	0.762	75%	0.746	S	S	*	*			trans	-179.8	129.9	132.1	-82.8	0	0	0	0	113.1
1687	K	35.4	Very low	33	Very low	176 Å²	176	128.2 Å²	128.2	77%	0.765	74%	0.736	S	S	*	*			trans	50.5	127.8	162	-60.9	-166.2	171	-173.2	0	118.8
1688	E	30.9	Very low	33.1	Very low	155 Å²	155	126.4 Å²	126.4	72%	0.724	72%	0.723	S	S	*	*			cis	77.1	137.1	46.4	-60.3	164.9	169.3	0	0	113.1
1689	G	35.9	Very low	33.3	Very low	72 Å²	72	123.6 Å²	123.6	74%	0.742	71%	0.71	S	S	*	*			trans	102.1	61.8	-151.6	0	0	0	0	0	109.8
1690	S	31.9	Very low	32.9	Very low	104 Å²	104	127.2 Å²	127.2	73%	0.727	71%	0.706	S	S	*	*				54.6	99	72.8	-107.2	0	0	0	0	111.1
1691	T	28.9	Very low	33	Very low	113 Å²	113	125.3 Å²	125.3	69%	0.693	70%	0.7	S	S	*	*				58.3	124.1	87.1	63.5	0	0	0	0	114
1692	L	34.5	Very low	32.6	Very low	154 Å²	154	125.6 Å²	125.6	81%	0.806	69%	0.693	S	S	*	*				-179.2	106.1	120.3	-85.7	178	0	0	0	104.9
1693	T	29.3	Very low	32	Very low	95 Å²	95	124.5 Å²	124.5	58%	0.583	69%	0.686	S	S	*	*				68.8	123.5	76.3	62.5	0	0	0	0	115.7
1694	T	35.3	Very low	31.8	Very low	132 Å²	132	122.9 Å²	122.9	81%	0.81	68%	0.683	S	S	*	*				-162	127.4	118.9	15.8	0	0	0	0	105.7
1695	T	27.2	Very low	31.7	Very low	112 Å²	112	122.8 Å²	122.8	69%	0.687	68%	0.678	S	S	*	*			cis	60.9	98.7	34.6	73.9	0	0	0	0	114.2
1696	L	31.6	Very low	31.7	Very low	158 Å²	158	120.3 Å²	120.3	83%	0.827	67%	0.673	S	S	*	*			trans	-136	135.8	147.4	-146.8	82.2	0	0	0	108.7
1697	S	28.4	Very low	31.6	Very low	85 Å²	85	120.3 Å²	120.3	59%	0.594	66%	0.659	S	S	*	*			trans	-93.8	-144.1	160.4	52.8	0	0	0	0	108.7
1698	Q	32.3	Very low	31.4	Very low	83 Å²	83	115.2 Å²	115.2	39%	0.388	65%	0.646	S	S	.	*			trans	91.1	143.2	173.7	-51.1	-156.8	-30.7	0	0	117.3	D929 N930	D929-Q1698 WeakPolarHBondContact OD1-CA 3.49Å; D929-Q1698 WeakPolarHBondContact OD2-CA 3.34Å; D929-Q1698 WeakPolarHBondContact OD2-CB 3.03Å; D929-Q1698 VanDerWaalsContact OD2-CD 3.31Å; D929-Q1698 WeakPolarHBondContact OD2-CG 3.22Å; N930-Q1698 PolarHBondContact OD1-NE2 3.27Å
1699	N	33.4	Very low	31.5	Very low	104 Å²	104	113.4 Å²	113.4	56%	0.556	64%	0.637	S	S	*	*			trans	56.2	121.4	166	-59.2	-63.1	0	0	0	117.5	L928	L928-N1699 WeakPolarHBondContact CD1-OD1 3.47Å
1700	Y	27.9	Very low	31.4	Very low	138 Å²	138	113.8 Å²	113.8	54%	0.541	63%	0.628	S	S	.	*			cis	76.1	61.2	17.7	-127.5	-77.5	0	0	0	116.8	L928	L928-Y1700 HydrophobicContact CD2-CG 4.38Å; L928-Y1700 HydrophobicContact CG-CG 4.41Å
1701	V	34.3	Very low	31.6	Very low	132 Å²	132	113.1 Å²	113.1	80%	0.8	62%	0.624	S	S	*	*			trans	-135.9	106.4	145.5	-178	0	0	0	0	105
1702	H	30.7	Very low	32	Very low	131 Å²	131	109.4 Å²	109.4	61%	0.606	61%	0.608	S	S	*	*				56.2	129.5	91.6	-86	75.2	0	0	0	113.5
1703	T	28	Very low	32.1	Very low	99 Å²	99	109.4 Å²	109.4	61%	0.607	61%	0.608	S	S	*	*			cis	-164.7	171.9	-1	-5.3	0	0	0	0	110.1
1704	N	32.4	Very low	32.4	Very low	134 Å²	134	112.3 Å²	112.3	72%	0.717	62%	0.619	S	S	*	*			trans	70.8	133.7	165.2	-52.7	-11.2	0	0	0	115.6
1705	D	32.7	Very low	32.4	Very low	112 Å²	112	113.8 Å²	113.8	60%	0.599	61%	0.61	S	S	*	*			cis	-155.6	151.4	2.4	-82.8	-43.7	0	0	0	109.6
1706	H	31.1	Very low	32.9	Very low	129 Å²	129	114.1 Å²	114.1	60%	0.597	62%	0.617	S	S	*	*			cis	-157	-92.5	-21.9	-140.3	-41.4	0	0	0	113	P158	P158-H1706 VanDerWaalsContact CD-CB 3.47Å; P158-H1706 CarbonylContact O-C 2.92Å; P158-H1706 VanDerWaalsContact O-CA 3.27Å; P158-H1706 WeakPolarHBondContact O-CA 3.3Å; P158-H1706 PolarHBondContact O-N 2.88Å
1707	K	30.7	Very low	33.3	Very low	109 Å²	109	114.7 Å²	114.7	47%	0.474	62%	0.62	S	S	.	*			trans	-127.4	139.5	-176.8	8.6	64.4	154.5	172.4	0	121.3	N156 G157 P158 V159	N156-K1707 PolarHBondContact O-NZ 3.01Å; G157-K1707 VanDerWaalsContact C-CD 3.49Å; G157-K1707 CarbonylContact C-O 3.37Å; G157-K1707 WeakPolarHBondContact CA-O 2.9Å; G157-K1707 WeakPolarHBondContact O-CD 3.14Å; G157-K1707 PolarHBondContact O-NZ 3.12Å; P158-K1707 CarbonylContact C-O 3.1Å; P158-K1707 WeakPolarHBondContact CA-O 3.16Å; P158-K1707 PolarHBondContact O-N 2.91Å; V159-K1707 PolarHBondContact N-O 3.27Å; V159-K1707 VanDerWaalsContact N-O 3.08Å; V159-K1707 CarbonylContact O-C 2.98Å; V159-K1707 WeakPolarHBondContact O-CA 3.26Å
1708	S	31	Very low	33.8	Very low	69 Å²	69	115.7 Å²	115.7	48%	0.483	63%	0.627	S	S	.	*	B	Isolated β-bridge	trans	120.5	136.7	146.9	75.3	0	0	0	0	123.8	V159 K160	V159-S1708 CarbonylContact C-O 3.48Å; V159-S1708 PolarHBondContact O-N 3.13Å; K160-S1708 VanDerWaalsContact CA-O 3.25Å; K160-S1708 WeakPolarHBondContact CA-O 3.33Å; K160-S1708 PolarHBondContact N-O 2.78Å
1709	Q	33.9	Very low	34.3	Very low	117 Å²	117	115.2 Å²	115.2	55%	0.547	65%	0.645	S	S	.	*			trans	78.9	131.9	149.9	-69.5	-174	11.1	0	0	127.6	T161	T161-Q1709 PolarHBondContact N-O 2.97Å
1710	S	34.3	Very low	34.6	Very low	79 Å²	79	121 Å²	121	55%	0.552	67%	0.665	S	S	*	*			trans	64.7	150	145	74.3	0	0	0	0	123.2	T161 N162	T161-S1710 CarbonylContact C-O 3.52Å; T161-S1710 WeakPolarHBondContact CA-O 3.25Å; N162-S1710 VanDerWaalsContact N-C 3.27Å; N162-S1710 PolarHBondContact N-O 3.04Å; N162-S1710 PolarHBondContact OD1-O 3.22Å
1711	S	35.4	Very low	35.1	Very low	90 Å²	90	124.3 Å²	124.3	63%	0.629	68%	0.682	S	S	*	*			cis	-175.5	144.7	-21.3	55.3	0	0	0	0	115.7	N162	N162-S1711 PolarHBondContact OD1-N 2.91Å; N162-S1711 PolarHBondContact OD1-O 3.35Å
1712	G	37.2	Very low	35.2	Very low	36 Å²	36	126.4 Å²	126.4	37%	0.371	68%	0.68	S	S	.	*			trans	91.7	153.3	152	0	0	0	0	0	121.5	K163	K163-G1712 WeakPolarHBondContact CG-O 3.37Å
1713	L	37.1	Very low	35.3	Very low	153 Å²	153	125.7 Å²	125.7	80%	0.801	69%	0.689	S	S	*	*			cis	-166.9	133.2	1	-97.2	167.4	0	0	0	115.9
1714	L	36	Very low	35.8	Very low	156 Å²	156	127.7 Å²	127.7	82%	0.817	70%	0.695	S	S	*	*			trans	88.1	171.6	154.9	-56.3	178	0	0	0	124.9
1715	R	35.4	Very low	36.8	Very low	163 Å²	163	126.4 Å²	126.4	62%	0.615	69%	0.694	S	S	*	*			trans	-159.1	-172.7	-169	-128	174.5	-162.4	164.2	5.1	116.4	E166	E166-R1715 VanDerWaalsContact O-CZ 3.29Å; E166-R1715 PolarHBondContact O-NH1 2.83Å; E166-R1715 PolarHBondContact O-NH2 3.09Å
1716	S	36.8	Very low	37.1	Very low	119 Å²	119	127.9 Å²	127.9	83%	0.832	71%	0.707	S	S	*	*			trans	-161.2	177.1	-173.6	-82.2	0	0	0	0	120.7
1717	L	39.7	Very low	37.1	Very low	170 Å²	170	130.5 Å²	130.5	89%	0.89	72%	0.717	S	S	*	*			trans	-157.1	177.7	-166.3	-68.4	176.9	0	0	0	113.9
1718	S	40	Very low	37.2	Very low	106 Å²	106	130.5 Å²	130.5	74%	0.741	73%	0.726	S	S	*	*			cis	178.9	153	-27.2	62.3	0	0	0	0	114
1719	G	42	Very low	37.5	Very low	74 Å²	74	132.4 Å²	132.4	76%	0.763	74%	0.739	S	S	*	*			trans	175.1	160.3	170.1	0	0	0	0	0	119.9
1720	K	39.3	Very low	37.5	Very low	225 Å²	225	135.1 Å²	135.1	98%	0.978	75%	0.749	S	S	*	*			trans	-157.1	-172.2	-173.6	-115.3	175.9	-175	177.5	0	120.2
1721	K	38.7	Very low	37.6	Very low	207 Å²	207	138.8 Å²	138.8	90%	0.9	76%	0.759	S	S	*	*			trans	-136.4	171.6	-166.6	-65.3	178.6	179.6	171.2	0	117.7
1722	K	36.1	Very low	37.5	Very low	177 Å²	177	137.6 Å²	137.6	77%	0.77	76%	0.762	S	S	*	*			trans	105.9	149.9	142.7	-161	-104.8	179.7	169.7	0	121.1
1723	C	34.3	Very low	37.9	Very low	116 Å²	116	142 Å²	142	78%	0.784	78%	0.784	S	S	*	*			trans	-157.7	178.4	179.8	61.5	0	0	0	0	113.7
1724	L	38.6	Very low	38.1	Very low	141 Å²	141	140.7 Å²	140.7	74%	0.738	79%	0.785	S	S	*	*			trans	-167.6	175.7	-179.5	-97	179.8	0	0	0	114.8
1725	P	53.2	Low	38.1	Very low	107 Å²	107	141 Å²	141	70%	0.695	79%	0.786	S	S	*	*			trans	-105.8	-178.4	152.1	38.9	-29.9	0	0	0	113.3
1726	T	38.5	Very low	38	Very low	142 Å²	142	138.6 Å²	138.6	87%	0.871	79%	0.793	S	S	*	*			trans	-153.8	160	-172.7	-44.6	0	0	0	0	114.3
1727	K	31.5	Very low	37.9	Very low	185 Å²	185	140.8 Å²	140.8	80%	0.804	79%	0.794	S	S	*	*			trans	-160.8	161.3	171.5	-127.8	-165.9	157.8	-162.4	0	108
1728	V	32.8	Very low	37.5	Very low	109 Å²	109	140.2 Å²	140.2	66%	0.661	79%	0.792	S	S	*	*			cis	-105.2	-91.5	-4.3	-169.4	0	0	0	0	111.6
1729	S	35.8	Very low	37.3	Very low	109 Å²	109	139.1 Å²	139.1	76%	0.762	79%	0.79	S	S	*	*			cis	-170.4	142.7	-11.9	-140.4	0	0	0	0	109.3
1730	F	33.9	Very low	36.9	Very low	174 Å²	174	141.8 Å²	141.8	76%	0.763	79%	0.792	S	S	*	*			cis	-151.4	-93.7	-24.9	175.9	-124	0	0	0	110.9
1731	M	37	Very low	36.6	Very low	155 Å²	155	136.7 Å²	136.7	76%	0.764	78%	0.784	S	S	*	*			trans	-154.2	162.5	-176.4	-65.9	177.7	64.6	0	0	108.9
1732	G	32.9	Very low	36.4	Very low	66 Å²	66	132.3 Å²	132.3	68%	0.68	78%	0.78	S	S	*	*			cis	-175.6	166.3	-3.2	0	0	0	0	0	111.4
1733	P	45.8	Very low	36.2	Very low	127 Å²	127	130.6 Å²	130.6	83%	0.825	78%	0.784	S	S	*	*			trans	-100.9	163.4	-166.2	38.2	-36.2	0	0	0	116.5
1734	P	42.5	Very low	36	Very low	127 Å²	127	130.6 Å²	130.6	83%	0.825	78%	0.784	S	S	*	*			trans	-101.6	-166.6	174.6	41.6	-36.4	0	0	0	114
1735	L	35.6	Very low	35.3	Very low	162 Å²	162	130.9 Å²	130.9	85%	0.848	79%	0.792	S	S	*	*	S	Bend	trans	-81	127.3	172	-77.6	173.1	0	0	0	113.7
1736	C	32.2	Very low	34.1	Very low	113 Å²	113	131.7 Å²	131.7	76%	0.764	79%	0.794	S	S	*	*			trans	69.5	139.1	141.1	-60.4	0	0	0	0	123.7
1737	L	34.9	Very low	33.5	Very low	164 Å²	164	130.6 Å²	130.6	86%	0.859	79%	0.788	S	S	*	*			trans	87	115.8	163.7	-63.9	172.8	0	0	0	120.4
1738	D	32.9	Very low	33.4	Very low	158 Å²	158	127.4 Å²	127.4	85%	0.845	78%	0.784	S	S	*	*			trans	66.9	145.1	158	-65.9	-8.4	0	0	0	125.1
1739	A	34	Very low	33.1	Very low	84 Å²	84	126.8 Å²	126.8	69%	0.694	78%	0.784	S	S	*	*			trans	71.6	96.9	165.1	0	0	0	0	0	121.4
1740	T	34.1	Very low	32.7	Very low	130 Å²	130	129.1 Å²	129.1	80%	0.798	79%	0.787	S	S	*	*			trans	70.1	107.1	138.5	57.6	0	0	0	0	122.5
1741	S	34.4	Very low	32.5	Very low	118 Å²	118	128.3 Å²	128.3	83%	0.825	79%	0.789	S	S	*	*			trans	68.4	144.8	149.3	77.4	0	0	0	0	120.4
1742	S	33.4	Very low	32.1	Very low	114 Å²	114	126.8 Å²	126.8	80%	0.797	79%	0.794	S	S	*	*			cis	-150.9	117.5	-48.3	58.1	0	0	0	0	107.5
1743	V	31.2	Very low	32	Very low	142 Å²	142	126.8 Å²	126.8	86%	0.861	79%	0.794	S	S	*	*			trans	-136.3	156.5	-169	-178.6	0	0	0	0	111.4
1744	C	30.1	Very low	31.2	Very low	116 Å²	116	129 Å²	129	78%	0.784	79%	0.793	S	S	*	*			trans	-63.5	143.5	-169.3	-46.4	0	0	0	0	116
1745	T	24.9	Very low	30.8	Very low	147 Å²	147	128.4 Å²	128.4	90%	0.902	79%	0.788	S	S	*	*			trans	-158.2	-172.2	135.6	-3.6	0	0	0	0	111.5
1746	V	27.5	Very low	30.6	Very low	123 Å²	123	127.2 Å²	127.2	75%	0.745	78%	0.782	S	S	*	*			trans	-120.6	150.5	-162.4	-175.5	0	0	0	0	111.6
1747	T	26.6	Very low	30.5	Very low	120 Å²	120	128.8 Å²	128.8	74%	0.736	78%	0.778	S	S	*	*			trans	77.2	139.7	162	24.3	0	0	0	0	121.4
1748	T	28	Very low	30.7	Very low	118 Å²	118	126.7 Å²	126.7	72%	0.724	77%	0.774	S	S	*	*			trans	68.4	80.7	147	49.3	0	0	0	0	122.4
1749	S	26.7	Very low	30.5	Very low	96 Å²	96	124.3 Å²	124.3	67%	0.671	77%	0.765	S	S	*	*				71.7	149.7	101.6	69.5	0	0	0	0	123.4
1750	I	28.6	Very low	30.4	Very low	158 Å²	158	125.5 Å²	125.5	81%	0.81	77%	0.766	S	S	*	*			trans	78.9	140.9	163.5	-58.8	172.8	0	0	0	115.2
1751	L	29.3	Very low	30.4	Very low	156 Å²	156	124.6 Å²	124.6	82%	0.817	76%	0.764	S	S	*	*			cis	-173.6	142.4	-29.7	-163.8	81.1	0	0	0	109.5
1752	S	29.2	Very low	30.2	Very low	124 Å²	124	124.2 Å²	124.2	87%	0.867	76%	0.761	S	S	*	*			trans	66.7	154.4	165.1	-146.2	0	0	0	0	118.6
1753	G	30.4	Very low	30.3	Very low	66 Å²	66	123.4 Å²	123.4	68%	0.68	76%	0.756	S	S	*	*			cis	169	147.3	-16	0	0	0	0	0	117.1
1754	Q	29.9	Very low	30.5	Very low	172 Å²	172	121.1 Å²	121.1	80%	0.804	75%	0.746	S	S	*	*			trans	78.9	149.7	153.7	-63.4	-165	-17.2	0	0	125.1
1755	T	32.9	Very low	30.6	Very low	116 Å²	116	119.9 Å²	119.9	71%	0.712	73%	0.731	S	S	*	*			trans	76.6	140.9	165.2	71.1	0	0	0	0	119.6
1756	N	31.5	Very low	31	Very low	137 Å²	137	116 Å²	116	73%	0.733	71%	0.71	S	S	*	*			cis	-163.3	139.7	-18	-108.4	-12.7	0	0	0	113.5
1757	Q	31	Very low	31.3	Very low	146 Å²	146	112.7 Å²	112.7	68%	0.682	70%	0.695	S	S	*	*			trans	65.2	157	156.3	-63.9	-64.7	5.2	0	0	119.3
1758	P	38.4	Very low	31.7	Very low	119 Å²	119	111.8 Å²	111.8	77%	0.773	69%	0.689	S	S	*	*			cis	-120.4	148.8	13.1	40.8	-27.8	0	0	0	119.1
1759	V	29.6	Very low	32.5	Very low	108 Å²	108	111.1 Å²	111.1	66%	0.655	69%	0.687	S	S	*	*			trans	-3	146.7	132.5	176.7	0	0	0	0	117.5
1760	P	31.8	Very low	32.8	Very low	109 Å²	109	111.4 Å²	111.4	71%	0.708	69%	0.685	S	S	*	*			cis	-136.6	-178.5	13.4	28	-3.4	0	0	0	118.5
1761	C	33.2	Very low	33.1	Very low	112 Å²	112	108 Å²	108	76%	0.757	68%	0.675	S	S	*	*			trans	71.8	122.6	142.2	-81.7	0	0	0	0	124.1
1762	S	31.1	Very low	33.5	Very low	109 Å²	109	104.2 Å²	104.2	76%	0.762	66%	0.662	S	S	*	*				67.8	146.8	126.8	-56.6	0	0	0	0	120.8
1763	S	34.4	Very low	33.9	Very low	98 Å²	98	101.9 Å²	101.9	69%	0.685	64%	0.642	S	S	*	*			cis	-170.3	167.4	-11	48.2	0	0	0	0	110.7
1764	S	35.5	Very low	34.2	Very low	93 Å²	93	104.6 Å²	104.6	65%	0.65	64%	0.64	S	S	*	*			trans	61.7	166.3	154.6	55.5	0	0	0	0	120.3
1765	L	32.6	Very low	34.5	Very low	91 Å²	91	102.6 Å²	102.6	48%	0.476	63%	0.631	S	S	.	*				170.8	121.2	-52.7	-98.9	164.1	0	0	0	108.6	T213 S214	T213-L1765 HydrophobicContact CG2-CB 3.81Å; T213-L1765 HydrophobicContact CG2-CD2 3.96Å; T213-L1765 HydrophobicContact CG2-CG 4.32Å; T213-L1765 PolarHBondContact OG1-O 3.29Å; S214-L1765 WeakPolarHBondContact OG-CD1 3.3Å
1766	S	32	Very low	34.4	Very low	66 Å²	66	104.8 Å²	104.8	46%	0.462	63%	0.631	S	S	.	*			trans	49	175.8	165.1	98.1	0	0	0	0	120.7	T213	T213-S1766 WeakPolarHBondContact CB-OG 3.09Å; T213-S1766 WeakPolarHBondContact CG2-OG 3.45Å; T213-S1766 PolarHBondContact OG1-OG 3.04Å
1767	A	35.2	Very low	34.5	Very low	53 Å²	53	104.8 Å²	104.8	44%	0.438	63%	0.63	S	S	.	*			cis	-159.3	176.4	16.2	0	0	0	0	0	117.9	T212	T212-A1767 HydrophobicContact CG2-CB 3.41Å; T212-A1767 VanDerWaalsContact CG2-CB 3.41Å
1768	T	34.4	Very low	34.3	Very low	100 Å²	100	102.1 Å²	102.1	61%	0.613	63%	0.627	S	S	*	*			trans	-41.2	172.6	152.5	49.9	0	0	0	0	118.3
1769	P	43.9	Very low	34	Very low	104 Å²	104	105.5 Å²	105.5	68%	0.675	63%	0.63	S	S	*	*			cis	-144.2	-173.2	-33.6	39.2	-20.9	0	0	0	114.7
1770	T	34.1	Very low	34	Very low	103 Å²	103	104.7 Å²	104.7	63%	0.632	63%	0.629	S	S	*	*			trans	138.9	119.1	146.2	52.5	0	0	0	0	110.7
1771	S	35.8	Very low	34	Very low	85 Å²	85	104.6 Å²	104.6	59%	0.594	63%	0.626	S	S	*	*				71.5	149.9	51.9	87.5	0	0	0	0	113.3
1772	S	36.8	Very low	33.8	Very low	77 Å²	77	105.1 Å²	105.1	54%	0.538	63%	0.626	S	S	.	*			cis	-153.4	-162.4	15.8	-33.6	0	0	0	0	112.1	G828	G828-S1772 WeakPolarHBondContact CA-O 3.5Å
1773	V	38.5	Very low	33.7	Very low	76 Å²	76	110 Å²	110	46%	0.461	63%	0.628	S	S	.	*			trans	85.5	142	163.3	-171.1	0	0	0	0	116.9	K825 G826 G828	K825-V1773 WeakPolarHBondContact O-CG1 3.31Å; G826-V1773 CarbonylContact O-C 2.99Å; G826-V1773 WeakPolarHBondContact O-CG1 3.47Å; G828-V1773 PolarHBondContact N-O 2.97Å
1774	L	35.7	Very low	33.3	Very low	122 Å²	122	111.1 Å²	111.1	64%	0.639	63%	0.631	S	S	*	*			cis	-171.4	170.5	-37	-88.5	-153.1	0	0	0	106.4	G826	G826-L1774 PolarHBondContact O-N 2.94Å
1775	Q	35.6	Very low	32.9	Very low	131 Å²	131	118 Å²	118	61%	0.612	64%	0.643	S	S	*	*			cis	-177.3	158.7	-36.7	-159.9	-165.2	71.6	0	0	108
1776	K	32	Very low	32.7	Very low	161 Å²	161	118 Å²	118	70%	0.7	65%	0.651	S	S	*	*			trans	70.6	157.3	165.5	-73.2	172.5	173.1	167.1	0	117
1777	I	33.4	Very low	32.6	Very low	138 Å²	138	123.7 Å²	123.7	71%	0.708	67%	0.667	S	S	*	*			cis	-148.9	174.8	0.9	-128.1	160.2	0	0	0	113.2
1778	S	27.1	Very low	32.6	Very low	90 Å²	90	127.4 Å²	127.4	63%	0.629	68%	0.684	S	S	*	*			trans	-52.8	-174.6	-172.7	-41.4	0	0	0	0	122.3
1779	F	32.2	Very low	32.6	Very low	190 Å²	190	126.1 Å²	126.1	83%	0.833	68%	0.676	S	S	*	*			trans	90.5	143	165.1	-54.6	-69.9	0	0	0	118.2
1780	S	29.6	Very low	32.2	Very low	90 Å²	90	121.2 Å²	121.2	63%	0.629	64%	0.644	S	S	*	*			cis	-166.3	158.8	-24.7	-165	0	0	0	0	111.6
1781	T	30.9	Very low	32.3	Very low	107 Å²	107	119.6 Å²	119.6	66%	0.656	63%	0.634	S	S	*	*			trans	26.9	120.2	149	50.2	0	0	0	0	120
1782	T	28.8	Very low	32.1	Very low	124 Å²	124	123.9 Å²	123.9	76%	0.761	64%	0.642	S	S	*	*				53.6	150.5	78.8	72.2	0	0	0	0	115.5
1783	R	28.9	Very low	31.8	Very low	212 Å²	212	130.6 Å²	130.6	80%	0.8	66%	0.662	S	S	*	*			cis	-150.2	169.3	21.4	-138.7	170.7	-160.8	-116.2	6	109.9
1784	T	27.2	Very low	31.5	Very low	121 Å²	121	131 Å²	131	74%	0.742	67%	0.673	S	S	*	*				-174.6	160.6	88.8	35.3	0	0	0	0	109.6
1785	W	27.2	Very low	31.3	Very low	238 Å²	238	134.5 Å²	134.5	90%	0.902	68%	0.683	S	S	*	*			trans	175.1	179.5	144	-96.3	32.9	0	0	0	108.6
1786	S	28.3	Very low	31.2	Very low	91 Å²	91	133.8 Å²	133.8	64%	0.636	69%	0.687	S	S	*	*			trans	-130.5	168.1	-148.8	-42.9	0	0	0	0	116.2
1787	K	29.6	Very low	31.6	Very low	185 Å²	185	131.6 Å²	131.6	80%	0.804	69%	0.689	S	S	*	*			trans	73.2	166	163.7	-58.5	-178.4	177.3	-176.5	0	117.6	H21	H21-K1787 PolarHBondContact CE1-O 3.21Å
1788	V	35.2	Very low	31.8	Very low	131 Å²	131	129.5 Å²	129.5	79%	0.794	69%	0.685	S	S	*	*			trans	-163.8	146.2	-169.1	156.4	0	0	0	0	104.7
1789	V	33.7	Very low	31.9	Very low	73 Å²	73	133 Å²	133	44%	0.442	69%	0.691	S	S	.	*			cis	-153.8	166.8	-3.5	107.9	0	0	0	0	106.1	N20 T1791	N20-V1789 HydrophobicContact CB-CG2 4.27Å; V1789-T1791 HydrophobicContact CG1-CG2 4.13Å
1790	G	36	Very low	31.8	Very low	1 Å²	1	130 Å²	130	1%	0.01	68%	0.684	C	S	.	*			cis	116.4	-158	15.2	0	0	0	0	0	112.3	N20 Y23 K24	N20-G1790 WeakPolarHBondContact O-CA 3.05Å; N20-G1790 PolarHBondContact O-N 3.24Å; N20-G1790 WeakPolarHBondContact OD1-CA 3.3Å; Y23-G1790 CarbonylContact O-C 3.48Å; Y23-G1790 WeakPolarHBondContact O-CA 3.34Å; Y23-G1790 PolarHBondContact O-N 2.72Å; Y23-G1790 VanDerWaalsContact O-O 3.13Å; K24-G1790 WeakPolarHBondContact CD-O 3.47Å
1791	T	34.9	Very low	32	Very low	69 Å²	69	134.1 Å²	134.1	42%	0.423	69%	0.693	S	S	.	*			trans	71.6	148.6	-176.5	64.8	0	0	0	0	117	N20 K24 V1789	N20-T1791 PolarHBondContact OD1-N 2.85Å; K24-T1791 WeakPolarHBondContact CE-OG1 3.49Å; K24-T1791 PolarHBondContact NZ-OG1 3.18Å; V1789-T1791 HydrophobicContact CG1-CG2 4.13Å
1792	K	32.7	Very low	32.1	Very low	174 Å²	174	132.6 Å²	132.6	76%	0.757	70%	0.699	S	S	*	*			cis	174.4	126.5	-37.5	-117.5	-170.4	176.7	-171.6	0	108.8
1793	F	30.3	Very low	32	Very low	219 Å²	219	134.4 Å²	134.4	96%	0.961	70%	0.704	S	S	*	*			trans	-176.9	155.7	162.7	-85.9	-60.4	0	0	0	107.9
1794	A	33.3	Very low	32.5	Very low	83 Å²	83	129.7 Å²	129.7	69%	0.686	70%	0.703	S	S	*	*			cis	-150.9	152.4	-12.2	0	0	0	0	0	107.2
1795	K	31.4	Very low	32.8	Very low	196 Å²	196	130.2 Å²	130.2	85%	0.852	71%	0.707	S	S	*	*				47.7	135.8	85.5	-106	-161.4	169.6	-174.7	0	113.4
1796	V	32.3	Very low	33.4	Very low	117 Å²	117	127.8 Å²	127.8	71%	0.709	70%	0.702	S	S	*	*			cis	-160.9	-162.9	19.3	-117.3	0	0	0	0	108.4
1797	P	41.1	Very low	34.1	Very low	114 Å²	114	126.4 Å²	126.4	74%	0.74	69%	0.69	S	S	*	*				-124.4	-139.1	-53.6	40.3	-19.1	0	0	0	111.7
1798	P	38.2	Very low	34.2	Very low	95 Å²	95	121.3 Å²	121.3	62%	0.617	68%	0.678	S	S	*	*				-137.4	-178	-116.5	44.9	-22.6	0	0	0	118.6
1799	E	28.2	Very low	33.8	Very low	163 Å²	163	119.9 Å²	119.9	76%	0.762	67%	0.673	S	S	*	*			trans	19.3	131.4	140.3	-62.2	140	-156.1	0	0	121.2
1800	N	29.7	Very low	33.6	Very low	126 Å²	126	119.1 Å²	119.1	67%	0.674	67%	0.672	S	S	*	*				-172.4	163.6	96.3	-106.6	-69.2	0	0	0	115.9
1801	H	34.8	Very low	33.4	Very low	177 Å²	177	123.7 Å²	123.7	82%	0.819	70%	0.699	S	S	*	*			trans	57.7	102.9	164.4	-55.6	-43.6	0	0	0	119.5
1802	G	33.2	Very low	33.1	Very low	76 Å²	76	126.3 Å²	126.3	78%	0.784	71%	0.71	S	S	*	*			trans	-167.9	10.2	166.4	0	0	0	0	0	115.2	S1804	G1802-S1804 PolarHBondContact O-N 3.49Å
1803	D	27	Very low	33.1	Very low	162 Å²	162	123.8 Å²	123.8	87%	0.866	70%	0.704	S	S	*	*			trans	-77.3	116.5	-176.8	-74.4	-59.1	0	0	0	112.2
1804	S	38.1	Very low	33.1	Very low	112 Å²	112	118 Å²	118	78%	0.783	68%	0.683	S	S	*	*			trans	-158.1	92.6	158.6	-80.8	0	0	0	0	110.9	G1802 K1806	G1802-S1804 PolarHBondContact O-N 3.49Å; S1804-K1806 PolarHBondContact O-N 2.86Å
1805	T	32.8	Very low	32.9	Very low	133 Å²	133	115.8 Å²	115.8	82%	0.816	66%	0.662	S	S	*	*			trans	-12.1	114.7	142.3	51.7	0	0	0	0	115.6
1806	K	41.3	Very low	32.8	Very low	187 Å²	187	110.5 Å²	110.5	81%	0.813	64%	0.644	S	S	*	*			trans	-172.5	134.2	137.4	-109.2	159.7	-172.6	178.8	0	112.8	S1804 S1808	S1804-K1806 PolarHBondContact O-N 2.86Å; K1806-S1808 VanDerWaalsContact C-N 3.33Å; K1806-S1808 PolarHBondContact O-N 3.24Å
1807	T	42.9	Very low	32.9	Very low	61 Å²	61	109 Å²	109	37%	0.374	64%	0.638	S	S	.	*			trans	37.6	55.1	146.3	54.7	0	0	0	0	114.8	N1816 V1818	T1807-N1816 WeakPolarHBondContact CA-OD1 2.96Å; T1807-N1816 WeakPolarHBondContact CB-OD1 3.19Å; T1807-N1816 WeakPolarHBondContact CG2-OD1 3.36Å; T1807-N1816 PolarHBondContact O-ND2 3.04Å; T1807-N1816 VanDerWaalsContact O-ND2 3.1Å; T1807-V1818 HydrophobicContact CG2-CG2 4.02Å
1808	S	30.7	Very low	32.5	Very low	79 Å²	79	108.2 Å²	108.2	55%	0.552	63%	0.631	S	S	*	*				58.1	119.7	90.7	-55.4	0	0	0	0	112.9	K1806 S1815 N1816	K1806-S1808 VanDerWaalsContact C-N 3.33Å; K1806-S1808 PolarHBondContact O-N 3.24Å; S1808-S1815 WeakPolarHBondContact O-CB 3.42Å; S1808-N1816 PolarHBondContact O-ND2 2.61Å; S1808-N1816 PolarHBondContact O-OD1 3.39Å
1809	S	27.7	Very low	32.2	Very low	100 Å²	100	114.4 Å²	114.4	70%	0.699	64%	0.642	S	S	*	*			trans	68.4	-172.5	137.7	-55.9	0	0	0	0	114.1	S1815	S1809-S1815 PolarHBondContact O-OG 3.22Å
1810	S	28.6	Very low	32.3	Very low	58 Å²	58	114.3 Å²	114.3	41%	0.406	64%	0.642	S	S	.	*				-171	156.4	-51.3	58.8	0	0	0	0	109.7	N1814 S1815	S1810-N1814 WeakPolarHBondContact O-CA 3.32Å; S1810-N1814 PolarHBondContact O-OD1 2.98Å; S1810-S1815 PolarHBondContact N-OG 3.17Å; S1810-S1815 PolarHBondContact O-N 3.4Å; S1810-S1815 VanDerWaalsContact O-N 3.11Å
1811	V	32.2	Very low	32.5	Very low	97 Å²	97	113.7 Å²	113.7	59%	0.588	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.3	151.9	163.5	-119.4	0	0	0	0	118.3	N1814	V1811-N1814 PolarHBondContact O-OD1 2.85Å
1812	L	27.9	Very low	32.4	Very low	124 Å²	124	111 Å²	111	65%	0.649	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn		-95.2	107.6	128.1	-96.9	109.3	0	0	0	106.4
1813	L	32.4	Very low	32.5	Very low	120 Å²	120	112.3 Å²	112.3	63%	0.628	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	cis	-136.8	157.5	-0.5	-70	165.7	0	0	0	111.9
1814	N	31	Very low	32.9	Very low	98 Å²	98	106.4 Å²	106.4	52%	0.524	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	cis	-158.5	157.3	-39.4	-155.9	-16.8	0	0	0	109.7	S1810 V1811	S1810-N1814 WeakPolarHBondContact O-CA 3.32Å; S1810-N1814 PolarHBondContact O-OD1 2.98Å; V1811-N1814 PolarHBondContact O-OD1 2.85Å
1815	S	28.5	Very low	32.6	Very low	36 Å²	36	103.7 Å²	103.7	25%	0.252	56%	0.564	S	S	.	*			trans	-62.5	173.3	144.3	59.8	0	0	0	0	111.5	S1808 S1809 S1810	S1808-S1815 WeakPolarHBondContact O-CB 3.42Å; S1809-S1815 PolarHBondContact O-OG 3.22Å; S1810-S1815 PolarHBondContact N-OG 3.17Å; S1810-S1815 PolarHBondContact O-N 3.4Å; S1810-S1815 VanDerWaalsContact O-N 3.11Å
1816	N	29	Very low	32.6	Very low	86 Å²	86	103.6 Å²	103.6	46%	0.46	55%	0.554	S	S	.	*			cis	-166.1	179.3	19.5	-141.4	-20.7	0	0	0	110.6	T1807 S1808	T1807-N1816 WeakPolarHBondContact CA-OD1 2.96Å; T1807-N1816 WeakPolarHBondContact CB-OD1 3.19Å; T1807-N1816 WeakPolarHBondContact CG2-OD1 3.36Å; T1807-N1816 PolarHBondContact O-ND2 3.04Å; T1807-N1816 VanDerWaalsContact O-ND2 3.1Å; S1808-N1816 PolarHBondContact O-ND2 2.61Å; S1808-N1816 PolarHBondContact O-OD1 3.39Å
1817	S	34.7	Very low	32.3	Very low	86 Å²	86	99.7 Å²	99.7	60%	0.601	55%	0.546	S	S	*	.			trans	67.5	88.4	153.7	-160.3	0	0	0	0	120.8
1818	V	32.7	Very low	31.8	Very low	96 Å²	96	101.3 Å²	101.3	58%	0.582	55%	0.551	S	S	*	*				49.1	114.5	103.1	171.4	0	0	0	0	119.4	T1807	T1807-V1818 HydrophobicContact CG2-CG2 4.02Å
1819	W	32.2	Very low	31.6	Very low	226 Å²	226	102.2 Å²	102.2	86%	0.856	55%	0.554	S	S	*	*			trans	51.2	130.6	142.7	-60.7	57.8	0	0	0	118.3
1820	Q	31.5	Very low	31.8	Very low	161 Å²	161	106 Å²	106	75%	0.752	56%	0.56	S	S	*	*			cis	-151.8	142.6	39.4	-87.7	-162.4	-7.4	0	0	115.4
1821	T	32.4	Very low	32.8	Very low	113 Å²	113	108.9 Å²	108.9	69%	0.693	57%	0.567	S	S	*	*			trans	57.8	145.1	137.9	-31	0	0	0	0	122.6
1822	E	33.5	Very low	33.1	Very low	120 Å²	120	106.1 Å²	106.1	56%	0.561	55%	0.552	S	S	*	*			trans	66.4	129.9	173.8	-51.3	-169.6	-170.6	0	0	116.3	K1837	E1822-K1837 WeakPolarHBondContact OE2-CE 3.4Å; E1822-K1837 IonicContact OE2-NZ 2.81Å; E1822-K1837 PolarHBondContact OE2-NZ 2.75Å
1823	H	35.2	Very low	33.4	Very low	103 Å²	103	105.7 Å²	105.7	48%	0.477	55%	0.551	S	S	.	*			cis	-175.8	163.4	-19.1	-91.4	-76.9	0	0	0	104.6	K1837 L1838	H1823-K1837 WeakPolarHBondContact O-CA 3.19Å; H1823-K1837 PolarHBondContact O-N 3.38Å; H1823-L1838 VanDerWaalsContact CB-CA 3.48Å; H1823-L1838 HydrophobicContact CB-CB 4.49Å
1824	S	34.5	Very low	33.4	Very low	38 Å²	38	105.8 Å²	105.8	27%	0.266	55%	0.548	S	S	.	.			trans	40.8	-174.1	148.6	-116.1	0	0	0	0	125.4	K1836 K1837 L1838 L1839 D1840	S1824-K1836 CarbonylContact O-C 3.38Å; S1824-K1837 PolarHBondContact O-N 2.84Å; S1824-L1838 WeakPolarHBondContact CB-O 3.28Å; S1824-L1838 PolarHBondContact OG-O 3.44Å; S1824-L1839 VanDerWaalsContact CB-N 3.31Å; S1824-L1839 WeakPolarHBondContact OG-CA 3.44Å; S1824-L1839 PolarHBondContact OG-N 3.2Å; S1824-L1839 PolarHBondContact OG-O 2.94Å; S1824-L1839 VanDerWaalsContact OG-O 3.07Å; S1824-D1840 PolarHBondContact OG-N 2.9Å
1825	N	32.7	Very low	33.7	Very low	56 Å²	56	105.1 Å²	105.1	30%	0.299	54%	0.544	S	S	.	.			cis	-147	141.3	-23.4	-143.9	-6.5	0	0	0	113.8	D1840	N1825-D1840 PolarHBondContact ND2-N 2.56Å; N1825-D1840 WeakPolarHBondContact OD1-CB 3.5Å; N1825-D1840 PolarHBondContact OD1-N 3.4Å; N1825-D1840 PolarHBondContact OD1-O 3.05Å; N1825-D1840 VanDerWaalsContact OD1-O 3.13Å
1826	H	32.8	Very low	34.3	Very low	130 Å²	130	110.8 Å²	110.8	60%	0.602	56%	0.564	S	S	*	*			trans	55.6	150.2	141.7	-126	-71.1	0	0	0	125.4
1827	V	36.1	Very low	34.3	Very low	106 Å²	106	112.7 Å²	112.7	64%	0.642	57%	0.568	S	S	*	*			trans	72	121.9	158.3	-104.2	0	0	0	0	122
1828	I	31.9	Very low	34.1	Very low	94 Å²	94	113.6 Å²	113.6	48%	0.482	57%	0.566	S	S	.	*			trans	66.2	101.6	155.9	-47.1	179.1	0	0	0	114.8	E1831 S1832	I1828-E1831 HydrophobicContact CG2-CB 4.36Å; I1828-E1831 VanDerWaalsContact CG2-OE2 3.24Å; I1828-E1831 WeakPolarHBondContact CG2-OE2 3.42Å; I1828-E1831 CarbonylContact O-C 3.5Å; I1828-S1832 PolarHBondContact O-N 2.83Å; I1828-S1832 PolarHBondContact O-OG 3.46Å
1829	T	25.9	Very low	33.9	Very low	99 Å²	99	114.9 Å²	114.9	61%	0.607	57%	0.569	S	S	*	*	S	Bend	cis	66.8	81.8	40.7	-42.9	0	0	0	0	114.9	E1831	T1829-E1831 CarbonylContact C-O 3.27Å; T1829-E1831 WeakPolarHBondContact CA-O 3.39Å; T1829-E1831 VanDerWaalsContact N-C 3.29Å; T1829-E1831 PolarHBondContact N-O 3.06Å
1830	E	31.2	Very low	34	Very low	179 Å²	179	107 Å²	107	84%	0.836	54%	0.544	S	S	*	.	S	Bend	trans	155.2	-33.1	169.5	-92.9	-172.8	-122.5	0	0	112
1831	E	50.7	Low	34.1	Very low	119 Å²	119	105 Å²	105	56%	0.556	54%	0.538	S	S	*	.	S	Bend	cis	78.5	145.1	2.7	-55.2	177.3	-170.8	0	0	116.5	I1828 T1829	I1828-E1831 HydrophobicContact CG2-CB 4.36Å; I1828-E1831 VanDerWaalsContact CG2-OE2 3.24Å; I1828-E1831 WeakPolarHBondContact CG2-OE2 3.42Å; I1828-E1831 CarbonylContact O-C 3.5Å; T1829-E1831 CarbonylContact C-O 3.27Å; T1829-E1831 WeakPolarHBondContact CA-O 3.39Å; T1829-E1831 VanDerWaalsContact N-C 3.29Å; T1829-E1831 PolarHBondContact N-O 3.06Å
1832	S	39.2	Very low	34	Very low	38 Å²	38	105 Å²	105	27%	0.266	54%	0.538	S	S	.	.			cis	-156.1	142.7	-24.5	59.1	0	0	0	0	110.8	V222 I1828	V222-S1832 VanDerWaalsContact CB-O 3.24Å; V222-S1832 WeakPolarHBondContact CB-O 3.17Å; V222-S1832 WeakPolarHBondContact CG1-O 3.25Å; I1828-S1832 PolarHBondContact O-N 2.83Å; I1828-S1832 PolarHBondContact O-OG 3.46Å
1833	N	34	Very low	34.1	Very low	116 Å²	116	104 Å²	104	62%	0.62	55%	0.55	S	S	*	*				35	139	127.4	-49	-14.5	0	0	0	121.3
1834	E	32.2	Very low	34.1	Very low	121 Å²	121	104 Å²	104	57%	0.565	56%	0.558	S	S	*	*			trans	64.8	179.2	130.7	-66.7	177.5	-178.1	0	0	121.4
1835	D	37.5	Very low	34.1	Very low	85 Å²	85	107.5 Å²	107.5	46%	0.455	58%	0.578	S	S	.	*			trans	67.7	113.5	148.5	-88.8	20.2	0	0	0	126.7
1836	K	39.6	Very low	34	Very low	154 Å²	154	110.2 Å²	110.2	67%	0.67	60%	0.596	S	S	*	*				50.2	104.2	117.6	-60.2	-176.7	-167.4	80.4	0	121	S1824	S1824-K1836 CarbonylContact O-C 3.38Å
1837	K	30.7	Very low	33.9	Very low	126 Å²	126	110 Å²	110	55%	0.548	60%	0.604	S	S	.	*				73.8	119.5	114.5	-154.8	169.3	-175.7	159.1	0	120.8	E1822 H1823 S1824	E1822-K1837 WeakPolarHBondContact OE2-CE 3.4Å; E1822-K1837 IonicContact OE2-NZ 2.81Å; E1822-K1837 PolarHBondContact OE2-NZ 2.75Å; H1823-K1837 WeakPolarHBondContact O-CA 3.19Å; H1823-K1837 PolarHBondContact O-N 3.38Å; S1824-K1837 PolarHBondContact O-N 2.84Å
1838	L	28.9	Very low	33.7	Very low	106 Å²	106	109 Å²	109	56%	0.555	60%	0.602	S	S	*	*	S	Bend	trans	68	108.4	171	-129.1	154.2	0	0	0	120.3	H1823 S1824	H1823-L1838 VanDerWaalsContact CB-CA 3.48Å; H1823-L1838 HydrophobicContact CB-CB 4.49Å; S1824-L1838 WeakPolarHBondContact CB-O 3.28Å; S1824-L1838 PolarHBondContact OG-O 3.44Å
1839	L	30.4	Very low	33.7	Very low	122 Å²	122	111.7 Å²	111.7	64%	0.639	62%	0.618	S	S	*	*			trans	101.5	-122.9	175.4	-146	60.3	0	0	0	121.3	S1824	S1824-L1839 VanDerWaalsContact CB-N 3.31Å; S1824-L1839 WeakPolarHBondContact OG-CA 3.44Å; S1824-L1839 PolarHBondContact OG-N 3.2Å; S1824-L1839 PolarHBondContact OG-O 2.94Å; S1824-L1839 VanDerWaalsContact OG-O 3.07Å
1840	D	32.7	Very low	34.2	Very low	62 Å²	62	112.9 Å²	112.9	33%	0.332	63%	0.625	S	S	.	*			trans	-76.9	149.6	-140	-73.8	-67.6	0	0	0	124.4	S1824 N1825	S1824-D1840 PolarHBondContact OG-N 2.9Å; N1825-D1840 PolarHBondContact ND2-N 2.56Å; N1825-D1840 WeakPolarHBondContact OD1-CB 3.5Å; N1825-D1840 PolarHBondContact OD1-N 3.4Å; N1825-D1840 PolarHBondContact OD1-O 3.05Å; N1825-D1840 VanDerWaalsContact OD1-O 3.13Å
1841	N	33.5	Very low	34.1	Very low	117 Å²	117	111.8 Å²	111.8	63%	0.626	63%	0.625	S	S	*	*				56.8	126.7	128.3	-56.8	-28.3	0	0	0	125.7
1842	T	31.5	Very low	33.3	Very low	114 Å²	114	111.1 Å²	111.1	70%	0.699	63%	0.633	S	S	*	*				52.7	102	119.7	-47.7	0	0	0	0	119.7	T1844	T1842-T1844 HydrophobicContact CG2-CG2 3.71Å
1843	A	35.9	Very low	33	Very low	98 Å²	98	115.4 Å²	115.4	81%	0.81	66%	0.658	S	S	*	*				-169.4	145.7	103.9	0	0	0	0	0	112.1
1844	T	33.3	Very low	33	Very low	105 Å²	105	116.2 Å²	116.2	64%	0.644	67%	0.666	S	S	*	*	S	Bend		-161	156.4	-61.8	16.3	0	0	0	0	107.3	T1842	T1842-T1844 HydrophobicContact CG2-CG2 3.71Å
1845	T	34.8	Very low	32.7	Very low	111 Å²	111	119.6 Å²	119.6	68%	0.681	68%	0.679	S	S	*	*			cis	-149.9	143.1	21.3	-20.5	0	0	0	0	111.8
1846	T	30.4	Very low	32.2	Very low	112 Å²	112	120.6 Å²	120.6	69%	0.687	69%	0.692	S	S	*	*			trans	54.9	134.4	145.4	43	0	0	0	0	124
1847	T	31.7	Very low	31.4	Very low	126 Å²	126	118.2 Å²	118.2	77%	0.773	70%	0.695	S	S	*	*			trans	68.9	153.7	138.3	55.2	0	0	0	0	121.6
1848	S	30.8	Very low	31.2	Very low	85 Å²	85	123 Å²	123	59%	0.594	71%	0.71	S	S	*	*			cis	179.9	154	-27.1	56.5	0	0	0	0	111.4
1849	N	32.6	Very low	31	Very low	151 Å²	151	122 Å²	122	81%	0.807	72%	0.717	S	S	*	*			trans	63.7	160.4	153	-63.4	-7.4	0	0	0	118.4
1850	T	35.9	Very low	30.8	Very low	124 Å²	124	121.1 Å²	121.1	76%	0.761	72%	0.722	S	S	*	*			cis	-146.4	152.6	-12.1	25.8	0	0	0	0	107.3
1851	D	30.9	Very low	30.7	Very low	156 Å²	156	124.9 Å²	124.9	83%	0.834	74%	0.739	S	S	*	*			cis	73	145.2	41.5	-96.5	-16.1	0	0	0	116.3
1852	S	33.5	Very low	30.6	Very low	105 Å²	105	126.6 Å²	126.6	73%	0.734	74%	0.743	S	S	*	*			cis	-157.4	-146.2	-6.3	65.6	0	0	0	0	112.8
1853	V	32.1	Very low	30.4	Very low	128 Å²	128	124.9 Å²	124.9	78%	0.776	74%	0.736	S	S	*	*			trans	-140.9	141.7	-163.1	174.1	0	0	0	0	113.6
1854	V	33.4	Very low	29.9	Very low	132 Å²	132	126.7 Å²	126.7	80%	0.8	73%	0.731	S	S	*	*			trans	22.3	107	162.4	-175.7	0	0	0	0	119.2
1855	K	26.8	Very low	29.6	Very low	192 Å²	192	130.3 Å²	130.3	84%	0.835	73%	0.733	S	S	*	*			trans	179.9	164.6	133.8	-109.4	173	-176.4	175.9	0	112.4
1856	C	26.9	Very low	29.3	Very low	107 Å²	107	128 Å²	128	72%	0.723	72%	0.722	S	S	*	*			trans	63.2	151.4	157.6	-72.8	0	0	0	0	116.3
1857	S	23.6	Very low	29.4	Very low	104 Å²	104	125.6 Å²	125.6	73%	0.727	70%	0.704	S	S	*	*			cis	71.7	124.8	45.7	-45.5	0	0	0	0	112.8
1858	Y	25.4	Very low	29.3	Very low	225 Å²	225	122 Å²	122	88%	0.882	69%	0.692	S	S	*	*			trans	63.8	90.4	178.1	-82.4	-98.1	0	0	0	117.5
1859	A	24.4	Very low	29.2	Very low	85 Å²	85	121.7 Å²	121.7	70%	0.702	68%	0.683	S	S	*	*				53.8	141.1	104.1	0	0	0	0	0	121.6
1860	S	27.6	Very low	29.3	Very low	104 Å²	104	117.2 Å²	117.2	73%	0.727	66%	0.664	S	S	*	*			trans	83.4	162.7	148.5	-147.2	0	0	0	0	118.1
1861	M	30.4	Very low	28.8	Very low	142 Å²	142	117.9 Å²	117.9	70%	0.7	66%	0.662	S	S	*	*			trans	62	104	176.7	-45	-57.6	-78.7	0	0	113.7
1862	Q	30.9	Very low	28.9	Very low	153 Å²	153	115.8 Å²	115.8	72%	0.715	66%	0.656	S	S	*	*				64.3	97.9	73.6	-68.8	-178.2	-33.7	0	0	112.7
1863	S	27.2	Very low	28.7	Very low	78 Å²	78	118.9 Å²	118.9	55%	0.545	66%	0.659	S	S	.	*				49.3	116.7	114	72.3	0	0	0	0	119.1
1864	L	26	Very low	28.3	Very low	135 Å²	135	115.4 Å²	115.4	71%	0.707	64%	0.644	S	S	*	*				71.4	178.5	111.7	-138.9	179.6	0	0	0	114.8
1865	W	27	Very low	28	Very low	182 Å²	182	113.8 Å²	113.8	69%	0.689	63%	0.631	S	S	*	*			trans	68.1	141.5	174.5	-43.9	108	0	0	0	114.3
1866	S	28.5	Very low	28	Very low	62 Å²	62	109.9 Å²	109.9	43%	0.434	61%	0.614	S	S	.	*			cis	-155	-169.6	-3.5	-128.6	0	0	0	0	109.4	E243	E243-S1866 PolarHBondContact OE2-OG 3.35Å
1867	I	31	Very low	28	Very low	61 Å²	61	111.1 Å²	111.1	31%	0.313	61%	0.613	S	S	.	*			cis	-157	143.9	28.7	-148.1	142.3	0	0	0	112.9	Q241 D242 E243	Q241-I1867 CarbonylContact C-O 3.48Å; Q241-I1867 WeakPolarHBondContact CA-O 3.28Å; Q241-I1867 HydrophobicContact CB-CG2 4.31Å; Q241-I1867 WeakPolarHBondContact CB-O 3.22Å; Q241-I1867 WeakPolarHBondContact CG-O 3.19Å; Q241-I1867 PolarHBondContact NE2-O 3.42Å; D242-I1867 PolarHBondContact N-O 3.18Å; E243-I1867 HydrophobicContact CB-CD1 4.04Å; E243-I1867 HydrophobicContact CB-CG1 3.42Å; E243-I1867 VanDerWaalsContact CB-CG1 3.42Å; E243-I1867 VanDerWaalsContact N-CG1 3.31Å
1868	G	30.4	Very low	28.2	Very low	50 Å²	50	114.9 Å²	114.9	52%	0.515	62%	0.619	S	S	.	*			trans	-72.7	-76.1	-150.6	0	0	0	0	0	126.7	G240 Q241 D242	G240-G1868 CarbonylContact C-O 3.5Å; Q241-G1868 VanDerWaalsContact CA-C 3.43Å; Q241-G1868 WeakPolarHBondContact CA-O 3.18Å; D242-G1868 VanDerWaalsContact C-N 3.26Å; D242-G1868 CarbonylContact O-C 2.91Å; D242-G1868 WeakPolarHBondContact O-CA 2.89Å; D242-G1868 PolarHBondContact O-N 2.95Å
1869	D	28.3	Very low	28.5	Very low	79 Å²	79	109.3 Å²	109.3	42%	0.422	61%	0.613	S	S	.	*			trans	14.7	83.2	-173.5	-79	13.5	0	0	0	123.3	G240 Q241 D242	G240-D1869 CarbonylContact C-O 3.04Å; G240-D1869 WeakPolarHBondContact CA-O 3.3Å; G240-D1869 PolarHBondContact N-O 3.46Å; Q241-D1869 PolarHBondContact N-O 3.11Å; D242-D1869 HydrophobicContact CB-CB 4.1Å; D242-D1869 VanDerWaalsContact N-CB 3.27Å; D242-D1869 PolarHBondContact O-N 2.78Å
1870	S	34.9	Very low	28.9	Very low	58 Å²	58	110.5 Å²	110.5	41%	0.406	61%	0.611	S	S	.	*				172.3	93.8	118.8	-78.8	0	0	0	0	108.4	I239	I239-S1870 WeakPolarHBondContact CG2-OG 3.44Å
1871	I	26	Very low	28.9	Very low	138 Å²	138	112.4 Å²	112.4	71%	0.708	61%	0.613	S	S	*	*				54.2	122.2	79.4	-53.5	170.2	0	0	0	111.7
1872	P	32.4	Very low	28.9	Very low	111 Å²	111	110.6 Å²	110.6	72%	0.721	62%	0.615	S	S	*	*			cis	-104	178.3	-10.1	33.1	-15.2	0	0	0	110.5
1873	Q	30.3	Very low	28.9	Very low	171 Å²	171	108.7 Å²	108.7	80%	0.799	61%	0.614	S	S	*	*				-159.7	129.2	52.2	-71	177.1	-24.5	0	0	112.9
1874	A	23.7	Very low	29.1	Very low	54 Å²	54	110 Å²	110	45%	0.446	61%	0.614	S	S	.	*			trans	-73	126	142.2	0	0	0	0	0	108.4
1875	N	25.8	Very low	29.6	Very low	99 Å²	99	108.8 Å²	108.8	53%	0.529	61%	0.608	S	S	.	*				167.4	109.3	122.3	-93	-79.2	0	0	0	113.9	F252	F252-N1875 CarbonylContact O-C 3.17Å; F252-N1875 WeakPolarHBondContact O-CA 3.5Å; F252-N1875 PolarHBondContact O-N 2.73Å
1876	K	27.3	Very low	30	Very low	110 Å²	110	104.5 Å²	104.5	48%	0.478	60%	0.598	S	S	.	*			trans	68.5	122.3	130.1	-65.5	-179.2	173.1	78.6	0	121	F252	F252-K1876 PolarHBondContact O-N 2.97Å
1877	N	26.5	Very low	30.7	Very low	133 Å²	133	103.5 Å²	103.5	71%	0.711	59%	0.593	S	S	*	*			trans	90.9	127.7	139.6	-57.5	-15	0	0	0	121.5
1878	H	28.7	Very low	31	Very low	183 Å²	183	104.9 Å²	104.9	85%	0.847	61%	0.608	S	S	*	*			trans	89.8	137	153.2	-75.7	-68.1	0	0	0	123.3
1879	S	31.3	Very low	31.3	Very low	107 Å²	107	105.4 Å²	105.4	75%	0.748	60%	0.604	S	S	*	*			trans	86.4	101.9	157.9	-155.5	0	0	0	0	119.2
1880	T	31.8	Very low	31.9	Very low	110 Å²	110	105.4 Å²	105.4	68%	0.675	61%	0.607	S	S	*	*			cis	102.7	127.4	2.8	78	0	0	0	0	121.5
1881	N	29.5	Very low	32.1	Very low	144 Å²	144	106 Å²	106	77%	0.77	61%	0.608	S	S	*	*			trans	91	150.9	149.6	-57.5	-30.8	0	0	0	122.4
1882	S	29.1	Very low	32.6	Very low	105 Å²	105	101.5 Å²	101.5	73%	0.734	58%	0.584	S	S	*	*			cis	-176.9	173.7	-21.8	-89.7	0	0	0	0	115.9
1883	T	30.3	Very low	32.9	Very low	112 Å²	112	98.1 Å²	98.1	69%	0.687	57%	0.57	S	S	*	*			trans	100.8	162.7	162.1	-123.1	0	0	0	0	122.5	E273	E273-T1883 PolarHBondContact OE2-OG1 3.5Å
1884	L	33.1	Very low	33	Very low	107 Å²	107	94 Å²	94	56%	0.56	56%	0.556	S	S	*	*			trans	-134	-116.2	-158	-64.3	176	0	0	0	121.5	E273	E273-L1884 HydrophobicContact CB-CB 4.17Å; E273-L1884 HydrophobicContact CB-CD1 4.23Å; E273-L1884 WeakPolarHBondContact OE1-CB 3.22Å; E273-L1884 WeakPolarHBondContact OE2-CA 3.08Å; E273-L1884 PolarHBondContact OE2-N 3.16Å
1885	L	35.3	Very low	33.4	Very low	109 Å²	109	98 Å²	98	57%	0.571	57%	0.574	S	S	*	*			trans	-137.9	-124.9	-135.5	-63	167.8	0	0	0	121.8	E273 A276	E273-L1885 PolarHBondContact OE1-N 2.81Å; A276-L1885 HydrophobicContact CB-CB 4.08Å; A276-L1885 HydrophobicContact CB-CD1 3.97Å; A276-L1885 HydrophobicContact CB-CD2 4.23Å; A276-L1885 HydrophobicContact CB-CG 4.31Å
1886	L	36.6	Very low	33.7	Very low	92 Å²	92	99.2 Å²	99.2	48%	0.482	59%	0.586	S	S	.	*	B	Isolated β-bridge	trans	146.1	123.9	-164.4	-53.1	162.7	0	0	0	120	Q274 S275 A276 Q277	Q274-L1886 HydrophobicContact CB-CD1 3.88Å; Q274-L1886 HydrophobicContact CB-CD2 4.01Å; Q274-L1886 HydrophobicContact CB-CG 3.81Å; Q274-L1886 HydrophobicContact CG-CD1 4.46Å; S275-L1886 CarbonylContact O-C 3.36Å; S275-L1886 VanDerWaalsContact O-CA 3.27Å; S275-L1886 WeakPolarHBondContact O-CA 3.38Å; S275-L1886 WeakPolarHBondContact O-CD2 3.34Å; S275-L1886 PolarHBondContact O-N 3.14Å; A276-L1886 CarbonylContact C-O 3.44Å; A276-L1886 VanDerWaalsContact CA-O 3.22Å; A276-L1886 WeakPolarHBondContact CA-O 3.14Å; Q277-L1886 PolarHBondContact N-O 3.31Å
1887	A	42.1	Very low	34.2	Very low	40 Å²	40	99.6 Å²	99.6	33%	0.331	60%	0.599	S	S	.	*			trans	-133	176.4	-171.1	0	0	0	0	0	118	S275 Q277	S275-A1887 PolarHBondContact O-N 2.75Å; Q277-A1887 VanDerWaalsContact N-CB 3.35Å
1888	S	38.3	Very low	34.2	Very low	91 Å²	91	98.3 Å²	98.3	64%	0.636	60%	0.601	S	S	*	*				162.7	178.9	90	-63.9	0	0	0	0	114.1	F278	F278-S1888 CarbonylContact O-C 3Å
1889	S	36.2	Very low	34.2	Very low	60 Å²	60	96.7 Å²	96.7	42%	0.42	60%	0.603	S	S	.	*			trans	-173.7	158.2	155.1	74.8	0	0	0	0	120.2	F278 L279 I280	F278-S1889 VanDerWaalsContact C-OG 3.26Å; F278-S1889 WeakPolarHBondContact O-CB 3.2Å; F278-S1889 PolarHBondContact O-N 3.2Å; F278-S1889 PolarHBondContact O-OG 3.22Å; L279-S1889 WeakPolarHBondContact CA-OG 3.44Å; L279-S1889 VanDerWaalsContact N-CB 3.35Å; L279-S1889 PolarHBondContact N-OG 3.21Å; L279-S1889 PolarHBondContact O-OG 3.17Å; I280-S1889 PolarHBondContact N-OG 3.28Å
1890	T	41.5	Very low	34.1	Very low	79 Å²	79	94.3 Å²	94.3	49%	0.485	60%	0.596	S	S	.	*			trans	36.5	163.5	145.5	39.2	0	0	0	0	128.4	I280	I280-T1890 WeakPolarHBondContact CA-OG1 3.23Å; I280-T1890 PolarHBondContact N-OG1 2.68Å
1891	V	37.9	Very low	34.5	Very low	71 Å²	71	93.1 Å²	93.1	43%	0.43	59%	0.59	S	S	.	*			trans	-148.9	165.4	-163	-175.4	0	0	0	0	113.6	P281 P282 P283 M777	P281-V1891 CarbonylContact C-O 3.37Å; P281-V1891 VanDerWaalsContact C-O 3.25Å; P281-V1891 CarbonylContact O-C 3.2Å; P282-V1891 CarbonylContact C-O 3.41Å; P283-V1891 VanDerWaalsContact CD-C 3.47Å; P283-V1891 WeakPolarHBondContact CD-O 3.41Å; M777-V1891 HydrophobicContact CG-CB 4.11Å; M777-V1891 HydrophobicContact CG-CG1 3.93Å
1892	Q	36.6	Very low	34.5	Very low	43 Å²	43	91.4 Å²	91.4	20%	0.201	58%	0.58	C	S	.	*			trans	176.5	114.2	137.8	-75.7	-48	118.5	0	0	108.3	P282 P283 G775 L776 M777	P282-Q1892 HydrophobicContact CG-CG 4.49Å; P283-Q1892 VanDerWaalsContact CA-NE2 3.26Å; P283-Q1892 HydrophobicContact CB-CB 3.42Å; P283-Q1892 VanDerWaalsContact CB-CB 3.42Å; P283-Q1892 HydrophobicContact CB-CG 2.29Å; P283-Q1892 HydrophobicContact CG-CB 2.75Å; P283-Q1892 HydrophobicContact CG-CG 2.29Å; G775-Q1892 WeakPolarHBondContact CA-O 3.29Å; G775-Q1892 PolarHBondContact N-O 2.91Å; L776-Q1892 VanDerWaalsContact N-C 3.32Å; L776-Q1892 CarbonylContact O-C 3.12Å; M777-Q1892 PolarHBondContact SD-OE1 3.25Å
1893	G	38.2	Very low	35	Very low	41 Å²	41	91.2 Å²	91.2	42%	0.423	58%	0.578	S	S	.	*	B	Isolated β-bridge	trans	-174	102.5	168	0	0	0	0	0	122.4	G775 L776	G775-G1893 CarbonylContact O-C 3.14Å; G775-G1893 WeakPolarHBondContact O-CA 3.36Å; L776-G1893 VanDerWaalsContact C-N 3.28Å; L776-G1893 CarbonylContact O-C 3.48Å; L776-G1893 VanDerWaalsContact O-C 3.27Å; L776-G1893 WeakPolarHBondContact O-CA 3.47Å; L776-G1893 PolarHBondContact O-N 3.33Å
1894	T	33.4	Very low	35.3	Very low	84 Å²	84	91.5 Å²	91.5	52%	0.515	58%	0.579	S	S	.	*			trans	-171	150.5	-179.5	59.5	0	0	0	0	120.6	G775 L776	G775-T1894 PolarHBondContact O-N 3.41Å; L776-T1894 VanDerWaalsContact CA-OG1 3.28Å; L776-T1894 WeakPolarHBondContact CA-OG1 3.24Å; L776-T1894 VanDerWaalsContact CB-OG1 3.3Å; L776-T1894 WeakPolarHBondContact CB-OG1 3.26Å
1895	V	32.2	Very low	35	Very low	137 Å²	137	90.4 Å²	90.4	83%	0.83	58%	0.577	S	S	*	*			trans	-178.2	127.3	149.8	135	0	0	0	0	117.6
1896	V	30.7	Very low	34.7	Very low	126 Å²	126	90.4 Å²	90.4	76%	0.764	59%	0.586	S	S	*	*			trans	47.4	147.1	146.3	-175.4	0	0	0	0	123.3
1897	P	38.5	Very low	34.6	Very low	117 Å²	117	91.4 Å²	91.4	76%	0.76	60%	0.598	S	S	*	*			cis	-135.7	174.8	-20.4	38.9	-20.1	0	0	0	119.2
1898	S	27.3	Very low	33.8	Very low	107 Å²	107	94.5 Å²	94.5	75%	0.748	62%	0.617	S	S	*	*			trans	107.8	123	135.7	-134.7	0	0	0	0	124.6
1899	V	27.6	Very low	33.3	Very low	148 Å²	148	94.6 Å²	94.6	90%	0.897	61%	0.614	S	S	*	*			trans	65.8	148.9	161.4	-137.4	0	0	0	0	121.7
1900	G	29.6	Very low	32.9	Very low	57 Å²	57	96.9 Å²	96.9	59%	0.588	63%	0.626	S	S	*	*			trans	-106.9	-147.8	-175.5	0	0	0	0	0	115.6
1901	P	39.6	Very low	32.3	Very low	86 Å²	86	101.5 Å²	101.5	56%	0.558	64%	0.64	S	S	*	*			cis	-145.2	-165.5	19.1	41.2	-18	0	0	0	118.5	Q1931	P1901-Q1931 HydrophobicContact CB-CB 4.23Å; P1901-Q1931 HydrophobicContact CB-CG 3.97Å
1902	L	29.3	Very low	31.9	Very low	108 Å²	108	102 Å²	102	57%	0.565	65%	0.646	S	S	*	*			trans	84.7	125.5	165.8	-93.2	82.9	0	0	0	122.4	V1932	L1902-V1932 HydrophobicContact CD1-CG2 4.19Å
1903	C	39.7	Very low	31.6	Very low	101 Å²	101	103.9 Å²	103.9	68%	0.682	66%	0.664	S	S	*	*			trans	162.3	123.9	135.2	-84.1	0	0	0	0	115.5	L1930	C1903-L1930 WeakPolarHBondContact O-CD1 3.35Å
1904	T	36.9	Very low	31.3	Very low	117 Å²	117	109.5 Å²	109.5	72%	0.718	68%	0.679	S	S	*	*			trans	-20.6	148.6	-177.2	46.7	0	0	0	0	120.9
1905	V	28.1	Very low	31.3	Very low	84 Å²	84	111.1 Å²	111.1	51%	0.509	68%	0.684	S	S	.	*			cis	106.3	114.6	30.5	171.9	0	0	0	0	112.9	L1929 L1930	V1905-L1929 VanDerWaalsContact CA-CD2 3.5Å; V1905-L1929 HydrophobicContact CB-CD2 4Å; V1905-L1929 HydrophobicContact CG2-CD2 3.33Å; V1905-L1929 VanDerWaalsContact N-CD2 3.34Å; V1905-L1930 HydrophobicContact CG2-CB 4.46Å
1906	S	28.2	Very low	31.3	Very low	109 Å²	109	107.2 Å²	107.2	76%	0.762	66%	0.662	S	S	*	*			trans	70.9	148	163.7	-65.9	0	0	0	0	121.6
1907	P	34.6	Very low	31.4	Very low	114 Å²	114	106.4 Å²	106.4	74%	0.74	65%	0.654	S	S	*	*			trans	-100.9	164	169.2	39.6	-33.9	0	0	0	113
1908	S	25	Very low	31.1	Very low	104 Å²	104	107.5 Å²	107.5	73%	0.727	65%	0.653	S	S	*	*				172.4	123.4	125	-76.9	0	0	0	0	114.7
1909	T	27.3	Very low	31.4	Very low	93 Å²	93	107.7 Å²	107.7	57%	0.571	64%	0.644	S	S	*	*			trans	60.1	139.7	144.7	52.9	0	0	0	0	123.7
1910	T	27.9	Very low	31.6	Very low	109 Å²	109	105.9 Å²	105.9	67%	0.669	64%	0.637	S	S	*	*			trans	70	136.5	164.4	19.3	0	0	0	0	116.6
1911	F	29.7	Very low	31.7	Very low	176 Å²	176	113 Å²	113	77%	0.772	65%	0.652	S	S	*	*			cis	-133.7	157.8	14.9	-113.1	-81.1	0	0	0	114.7
1912	S	29.8	Very low	31.3	Very low	80 Å²	80	114.7 Å²	114.7	56%	0.559	66%	0.66	S	S	*	*			trans	71.5	116.3	153.1	-68	0	0	0	0	123.5
1913	S	29.7	Very low	31.8	Very low	84 Å²	84	118.8 Å²	118.8	59%	0.587	67%	0.674	S	S	*	*			trans	78.6	102.1	137.2	55.4	0	0	0	0	121.5
1914	Q	32.9	Very low	31.9	Very low	158 Å²	158	116.9 Å²	116.9	74%	0.738	66%	0.66	S	S	*	*				45.4	131.7	106.6	-67.7	-177.9	11.8	0	0	118
1915	I	32.5	Very low	31.6	Very low	119 Å²	119	118.1 Å²	118.1	61%	0.61	66%	0.657	S	S	*	*			cis	-165.7	177.6	9.9	-141.9	157.2	0	0	0	107.7	F2222	I1915-F2222 WeakPolarHBondContact O-CD2 3.17Å
1916	S	33	Very low	31.8	Very low	55 Å²	55	120.9 Å²	120.9	39%	0.385	67%	0.665	S	S	.	*			cis	-153.6	-95	13.9	49.5	0	0	0	0	114.4	I1919 F2222	S1916-I1919 VanDerWaalsContact O-CD1 3.3Å; S1916-I1919 WeakPolarHBondContact O-CD1 3.2Å; S1916-F2222 VanDerWaalsContact O-CZ 3.29Å; S1916-F2222 WeakPolarHBondContact O-CZ 3.31Å
1917	N	31.7	Very low	32.1	Very low	108 Å²	108	123.7 Å²	123.7	58%	0.578	67%	0.666	S	S	*	*			trans	-147.8	157.2	-143.3	-84.7	75.2	0	0	0	113
1918	N	31.6	Very low	32.2	Very low	140 Å²	140	127 Å²	127	75%	0.749	67%	0.671	S	S	*	*			cis	-120.5	134.2	-5.6	-61.3	-74.9	0	0	0	108.8
1919	I	34.2	Very low	32.7	Very low	111 Å²	111	126.7 Å²	126.7	57%	0.569	66%	0.661	S	S	*	*			cis	76.4	123.3	37.4	-59.1	-178	0	0	0	112.3	S1916	S1916-I1919 VanDerWaalsContact O-CD1 3.3Å; S1916-I1919 WeakPolarHBondContact O-CD1 3.2Å
1920	C	32.5	Very low	33	Very low	110 Å²	110	125.8 Å²	125.8	74%	0.743	65%	0.653	S	S	*	*			cis	-160.4	172.2	-12.6	-115.8	0	0	0	0	112.4
1921	K	30.4	Very low	33.5	Very low	208 Å²	208	125.5 Å²	125.5	90%	0.904	64%	0.644	S	S	*	*			trans	-140.5	152.4	156	-91.6	-166.4	174.2	-172.5	0	109.6
1922	V	32	Very low	33.3	Very low	120 Å²	120	122.3 Å²	122.3	73%	0.727	64%	0.639	S	S	*	*			trans	-113.1	143.9	-177.4	-179.5	0	0	0	0	111.1
1923	K	40.1	Very low	33.1	Very low	195 Å²	195	124.8 Å²	124.8	85%	0.848	65%	0.65	S	S	*	*			trans	-169.3	135.1	166.8	-170.5	-172	-176.8	-171	0	108.7
1924	P	41.2	Very low	33	Very low	60 Å²	60	126.5 Å²	126.5	39%	0.39	66%	0.662	S	S	.	*			trans	-151.2	160.9	135.6	39.8	-25.7	0	0	0	115.5	T2214	P1924-T2214 WeakPolarHBondContact CD-O 3.18Å; P1924-T2214 WeakPolarHBondContact CG-O 3.1Å
1925	Q	31.7	Very low	32.9	Very low	143 Å²	143	127 Å²	127	67%	0.668	67%	0.668	S	S	*	*			trans	166.5	142.2	134.4	-94.9	-155.1	20.7	0	0	108.7
1926	Q	32.1	Very low	32.8	Very low	143 Å²	143	126.5 Å²	126.5	67%	0.668	68%	0.675	S	S	*	*			cis	-110.8	-124.7	-10.9	-60.3	-176.7	-12.1	0	0	109.1
1927	Q	35.1	Very low	33.2	Very low	168 Å²	168	129.1 Å²	129.1	79%	0.785	69%	0.691	S	S	*	*			cis	-160.4	174.7	-3.1	-146.2	154.6	51.7	0	0	110.2
1928	Q	35.4	Very low	33.2	Very low	182 Å²	182	131.2 Å²	131.2	85%	0.85	70%	0.701	S	S	*	*			trans	-97.6	113.7	-170	-70.9	165.6	-41.8	0	0	114.8
1929	L	35.2	Very low	33.1	Very low	98 Å²	98	131.1 Å²	131.1	51%	0.513	70%	0.699	S	S	.	*				27.2	128.5	103.4	-173.7	145.9	0	0	0	119.4	V1905	V1905-L1929 VanDerWaalsContact CA-CD2 3.5Å; V1905-L1929 HydrophobicContact CB-CD2 4Å; V1905-L1929 HydrophobicContact CG2-CD2 3.33Å; V1905-L1929 VanDerWaalsContact N-CD2 3.34Å
1930	L	33.5	Very low	32.8	Very low	75 Å²	75	130.8 Å²	130.8	39%	0.393	71%	0.707	S	S	.	*			trans	59.8	158.4	163	-105.9	78.1	0	0	0	123.2	C1903 V1905	C1903-L1930 WeakPolarHBondContact O-CD1 3.35Å; V1905-L1930 HydrophobicContact CG2-CB 4.46Å
1931	Q	38.4	Very low	32.7	Very low	102 Å²	102	131.7 Å²	131.7	48%	0.477	71%	0.709	S	S	.	*				-157.5	109.6	-90	-125.1	172.7	-13.7	0	0	109.7	P1901	P1901-Q1931 HydrophobicContact CB-CB 4.23Å; P1901-Q1931 HydrophobicContact CB-CG 3.97Å
1932	V	26.1	Very low	32.7	Very low	110 Å²	110	126.6 Å²	126.6	67%	0.667	70%	0.7	S	S	*	*	S	Bend	trans	-176.2	136.3	138.8	139.6	0	0	0	0	107.3	L1902	L1902-V1932 HydrophobicContact CD1-CG2 4.19Å
1933	T	26.5	Very low	32.7	Very low	132 Å²	132	129.1 Å²	129.1	81%	0.81	71%	0.706	S	S	*	*			trans	29.8	114.2	169.5	55	0	0	0	0	120.2
1934	S	26.6	Very low	32.2	Very low	119 Å²	119	127.3 Å²	127.3	83%	0.832	70%	0.7	S	S	*	*			trans	-110.8	101.5	155.9	59.6	0	0	0	0	111.1
1935	I	30.8	Very low	31.8	Very low	169 Å²	169	130.4 Å²	130.4	87%	0.867	71%	0.713	S	S	*	*			trans	-139.6	131.4	152.3	-52.5	-178.1	0	0	0	107.3
1936	S	30.4	Very low	31.7	Very low	108 Å²	108	128.8 Å²	128.8	76%	0.755	71%	0.709	S	S	*	*			trans	-85	-174.6	-179.2	-19.9	0	0	0	0	111.9
1937	P	42.7	Very low	31.9	Very low	110 Å²	110	129.2 Å²	129.2	71%	0.714	72%	0.715	S	S	*	*			cis	-130.4	179.4	-30.3	30	-10.3	0	0	0	112.4
1938	L	30	Very low	31.7	Very low	152 Å²	152	125.9 Å²	125.9	80%	0.796	70%	0.701	S	S	*	*				159	144	125.4	-84.5	163.2	0	0	0	114.8
1939	I	30.8	Very low	31.3	Very low	139 Å²	139	122.1 Å²	122.1	71%	0.713	70%	0.695	S	S	*	*			trans	58.7	103.1	149.5	-59.1	164.8	0	0	0	119.9
1940	S	26.6	Very low	31	Very low	104 Å²	104	123.3 Å²	123.3	73%	0.727	71%	0.709	S	S	*	*				37	152.8	123.2	-50.2	0	0	0	0	125.3
1941	T	31.7	Very low	30.8	Very low	128 Å²	128	121.6 Å²	121.6	79%	0.785	70%	0.703	S	S	*	*			trans	75.4	103.4	151.1	35.8	0	0	0	0	120.7
1942	S	29.9	Very low	30.3	Very low	101 Å²	101	124.7 Å²	124.7	71%	0.706	72%	0.723	S	S	*	*				56.7	111.9	129.1	-165.9	0	0	0	0	120.1
1943	M	32	Very low	30.4	Very low	173 Å²	173	124.9 Å²	124.9	85%	0.852	72%	0.72	S	S	*	*				-160.9	110	101.9	-99.5	-61.2	-137.8	0	0	111.9
1944	H	29.5	Very low	30.5	Very low	158 Å²	158	124.4 Å²	124.4	73%	0.731	71%	0.713	S	S	*	*			trans	40.8	135.5	142.6	-124.2	-132.1	0	0	0	123.7
1945	L	32.9	Very low	30.6	Very low	125 Å²	125	122.8 Å²	122.8	65%	0.654	69%	0.694	S	S	*	*			trans	72.4	116.5	166.3	-49.3	-179.3	0	0	0	115.2
1946	N	29.1	Very low	30.5	Very low	109 Å²	109	120.9 Å²	120.9	58%	0.583	68%	0.684	S	S	*	*				65.6	139.8	59.8	-56.7	-23	0	0	0	111.2	L1948	N1946-L1948 HydrophobicContact CB-CD1 4.06Å; N1946-L1948 HydrophobicContact CB-CG 4.44Å
1947	L	36.7	Very low	30.4	Very low	152 Å²	152	120.5 Å²	120.5	80%	0.796	67%	0.67	S	S	*	*			cis	-108.5	143	16.7	-79.9	69.7	0	0	0	111.6
1948	L	30.2	Very low	29.6	Very low	97 Å²	97	120.7 Å²	120.7	51%	0.508	67%	0.665	S	S	.	*				69.4	102	53.2	-67.1	165.6	0	0	0	114.4	N1946 S1951	N1946-L1948 HydrophobicContact CB-CD1 4.06Å; N1946-L1948 HydrophobicContact CB-CG 4.44Å; L1948-S1951 PolarHBondContact O-OG 3.4Å
1949	S	27	Very low	29.7	Very low	103 Å²	103	118.4 Å²	118.4	72%	0.72	65%	0.653	S	S	*	*	S	Bend		-132.1	101.9	127.8	-62.8	0	0	0	0	106.3	S1951	S1949-S1951 PolarHBondContact OG-OG 3.33Å
1950	P	30.5	Very low	29.7	Very low	124 Å²	124	117 Å²	117	81%	0.805	66%	0.656	S	S	*	*				-86.1	97.6	77.7	25.1	-36.3	0	0	0	112.7
1951	S	29.3	Very low	30	Very low	39 Å²	39	117 Å²	117	27%	0.273	65%	0.651	S	S	.	*			trans	-147.3	95.1	170.7	59.4	0	0	0	0	108.3	L1948 S1949	L1948-S1951 PolarHBondContact O-OG 3.4Å; S1949-S1951 PolarHBondContact OG-OG 3.33Å
1952	N	26.2	Very low	30.2	Very low	166 Å²	166	115.9 Å²	115.9	89%	0.888	66%	0.655	S	S	*	*				-127.8	101.2	119.2	-79.4	-18.2	0	0	0	102.1
1953	N	30	Very low	30	Very low	114 Å²	114	118 Å²	118	61%	0.61	66%	0.659	S	S	*	*			cis	48.8	114.6	41	-89.4	21.3	0	0	0	111.3
1954	N	28.5	Very low	30.1	Very low	122 Å²	122	116.9 Å²	116.9	65%	0.652	66%	0.655	S	S	*	*			trans	41.4	118.4	144.3	-56.2	12.8	0	0	0	117.1
1955	I	27.6	Very low	30.3	Very low	85 Å²	85	116.7 Å²	116.7	44%	0.436	66%	0.658	S	S	.	*				51.7	81.1	70	-51.9	175.2	0	0	0	109.1	E1957	I1955-E1957 HydrophobicContact CG2-CB 3.74Å; I1955-E1957 HydrophobicContact CG2-CG 3.64Å; I1955-E1957 VanDerWaalsContact CG2-N 3.32Å
1956	I	28.9	Very low	30.1	Very low	129 Å²	129	114.8 Å²	114.8	66%	0.662	66%	0.66	S	S	*	*				-71.5	115.4	117.8	-64.9	174.5	0	0	0	102.6
1957	E	27.7	Very low	30.1	Very low	100 Å²	100	118 Å²	118	47%	0.467	67%	0.672	S	S	.	*			cis	56.8	71.8	24.5	-100.8	167.5	-123.6	0	0	111.2	I1955 I1959	I1955-E1957 HydrophobicContact CG2-CB 3.74Å; I1955-E1957 HydrophobicContact CG2-CG 3.64Å; I1955-E1957 VanDerWaalsContact CG2-N 3.32Å; E1957-I1959 HydrophobicContact CB-CG1 4.18Å; E1957-I1959 HydrophobicContact CG-CG1 4.16Å; E1957-I1959 PolarHBondContact O-N 3.24Å; E1957-I1959 WeakPolarHBondContact OE2-CD1 3.37Å
1958	N	27.1	Very low	29.8	Very low	114 Å²	114	117.4 Å²	117.4	61%	0.61	68%	0.675	S	S	*	*			trans	-66.5	69.6	150.3	-141.9	31.9	0	0	0	109	S1960	N1958-S1960 PolarHBondContact O-N 2.72Å; N1958-S1960 VanDerWaalsContact O-N 3.09Å
1959	I	31.2	Very low	29.8	Very low	105 Å²	105	121.4 Å²	121.4	54%	0.538	69%	0.69	S	S	.	*			trans	-56.3	107.4	159.1	-83.5	177.9	0	0	0	106.3	E1957 T1961	E1957-I1959 HydrophobicContact CB-CG1 4.18Å; E1957-I1959 HydrophobicContact CG-CG1 4.16Å; E1957-I1959 PolarHBondContact O-N 3.24Å; E1957-I1959 WeakPolarHBondContact OE2-CD1 3.37Å; I1959-T1961 HydrophobicContact CG2-CG2 3.39Å
1960	S	31.1	Very low	29.9	Very low	110 Å²	110	128 Å²	128	77%	0.769	70%	0.7	S	S	*	*				-102.7	100.4	104.2	-123.7	0	0	0	0	106.1	N1958	N1958-S1960 PolarHBondContact O-N 2.72Å; N1958-S1960 VanDerWaalsContact O-N 3.09Å
1961	T	32.3	Very low	29.9	Very low	103 Å²	103	126.3 Å²	126.3	63%	0.632	69%	0.69	S	S	*	*				63.2	125.2	90.8	59.2	0	0	0	0	113.1	I1959	I1959-T1961 HydrophobicContact CG2-CG2 3.39Å
1962	A	35.6	Very low	29.8	Very low	105 Å²	105	131 Å²	131	87%	0.868	71%	0.713	S	S	*	*			trans	-133.4	126.2	151.1	0	0	0	0	0	107.7
1963	D	27.5	Very low	30.1	Very low	146 Å²	146	131.3 Å²	131.3	78%	0.781	71%	0.706	S	S	*	*			trans	-157.9	160.9	172.9	-144.2	-19.9	0	0	0	107.8
1964	L	33.7	Very low	30.2	Very low	149 Å²	149	133.7 Å²	133.7	78%	0.78	71%	0.714	S	S	*	*			trans	69.8	105.4	-169.2	-45.9	177.8	0	0	0	113.5
1965	I	32.6	Very low	30.4	Very low	154 Å²	154	133 Å²	133	79%	0.79	72%	0.717	S	S	*	*				81.4	139.4	60.5	-60.5	168.2	0	0	0	113
1966	A	28.3	Very low	30.7	Very low	84 Å²	84	135.3 Å²	135.3	69%	0.694	74%	0.74	S	S	*	*			trans	-69.7	174.5	179.9	0	0	0	0	0	112.5
1967	E	29.6	Very low	31	Very low	178 Å²	178	132.9 Å²	132.9	83%	0.832	75%	0.747	S	S	*	*			cis	-145.4	179.5	26.6	-58.3	-177.5	137.4	0	0	113.9
1968	T	31.2	Very low	31.5	Very low	139 Å²	139	134.5 Å²	134.5	85%	0.853	76%	0.758	S	S	*	*			trans	91.4	133.4	163.6	-47	0	0	0	0	116.8
1969	E	29.2	Very low	31.8	Very low	180 Å²	180	136.4 Å²	136.4	84%	0.841	77%	0.767	S	S	*	*			trans	-96.1	143.1	-171.5	-50.5	168.6	131.4	0	0	112.2
1970	R	29.6	Very low	31.9	Very low	243 Å²	243	133.8 Å²	133.8	92%	0.917	77%	0.766	S	S	*	*			trans	153.9	149.4	149.5	-90.5	163.3	179.1	-171.6	-0.3	110.8
1971	S	30.1	Very low	32	Very low	87 Å²	87	137.6 Å²	137.6	61%	0.608	76%	0.763	S	S	*	*			cis	-172.7	142.1	-26	44.6	0	0	0	0	108.6
1972	D	28.7	Very low	32.6	Very low	139 Å²	139	138.9 Å²	138.9	74%	0.743	77%	0.773	S	S	*	*			trans	72	114.4	146.9	-59.1	-22	0	0	0	122.8
1973	F	30.7	Very low	32.5	Very low	171 Å²	171	141.5 Å²	141.5	75%	0.75	77%	0.773	S	S	*	*			trans	84.6	108	131.7	-85.1	-100.7	0	0	0	124
1974	E	32.9	Very low	32.7	Very low	165 Å²	165	138 Å²	138	77%	0.771	77%	0.765	S	S	*	*				109.7	147.3	117.9	-132.5	163.8	-146.7	0	0	123.1
1975	C	33.6	Very low	32.7	Very low	107 Å²	107	138.8 Å²	138.8	72%	0.723	77%	0.769	S	S	*	*			trans	75.7	107.8	165.9	-77.5	0	0	0	0	123.7
1976	C	33.3	Very low	32.7	Very low	134 Å²	134	138.7 Å²	138.7	91%	0.905	77%	0.769	S	S	*	*			trans	68.2	131.7	145.1	-56.6	0	0	0	0	120.9
1977	G	34.5	Very low	33	Very low	78 Å²	78	145.9 Å²	145.9	80%	0.804	78%	0.778	S	S	*	*			cis	179.2	127.6	-8.1	0	0	0	0	0	117.8
1978	D	37.9	Very low	33.8	Very low	134 Å²	134	143 Å²	143	72%	0.717	78%	0.775	S	S	*	*			trans	81.5	146	151.5	-121.3	-37.8	0	0	0	125.7	R1981	D1978-R1981 IonicContact OD1-CZ 2.81Å; D1978-R1981 IonicContact OD1-NH1 3.51Å; D1978-R1981 PolarHBondContact OD1-NH1 2.59Å; D1978-R1981 VanDerWaalsContact OD1-NH1 3.09Å; D1978-R1981 IonicContact OD1-NH2 4Å; D1978-R1981 PolarHBondContact OD1-NH2 3.34Å
1979	I	34.1	Very low	33.8	Very low	154 Å²	154	145.1 Å²	145.1	79%	0.79	77%	0.774	S	S	*	*			trans	77	145.4	-174	-58	179.5	0	0	0	114.1
1980	G	33.7	Very low	34.1	Very low	50 Å²	50	140.4 Å²	140.4	52%	0.515	76%	0.758	S	S	.	*			cis	-139.8	-159.1	5.7	0	0	0	0	0	114.7
1981	R	32.9	Very low	34.2	Very low	190 Å²	190	133.1 Å²	133.1	72%	0.717	74%	0.744	S	S	*	*			trans	-151.3	153.5	-163.7	-65.2	90.3	-135.6	-158	-0	115.8	D1978	D1978-R1981 IonicContact OD1-CZ 2.81Å; D1978-R1981 IonicContact OD1-NH1 3.51Å; D1978-R1981 PolarHBondContact OD1-NH1 2.59Å; D1978-R1981 VanDerWaalsContact OD1-NH1 3.09Å; D1978-R1981 IonicContact OD1-NH2 4Å; D1978-R1981 PolarHBondContact OD1-NH2 3.34Å
1982	P	44.4	Very low	34.4	Very low	129 Å²	129	134 Å²	134	84%	0.838	74%	0.742	S	S	*	*			trans	-100.9	-164.5	-175.2	42.3	-38.9	0	0	0	115.1
1983	N	34	Very low	34.7	Very low	160 Å²	160	132.6 Å²	132.6	86%	0.856	74%	0.735	S	S	*	*			cis	-153	-155.7	10.4	-157.6	-0.1	0	0	0	109.5
1984	A	32.5	Very low	34.9	Very low	74 Å²	74	130.9 Å²	130.9	61%	0.612	73%	0.733	S	S	*	*			cis	-160.7	-158.3	-1.8	0	0	0	0	0	108.5
1985	L	32.9	Very low	35	Very low	165 Å²	165	130.7 Å²	130.7	86%	0.864	73%	0.732	S	S	*	*			cis	-164.3	-175.9	-1.3	-163.2	52.8	0	0	0	110.8
1986	L	33.7	Very low	34.9	Very low	151 Å²	151	131.6 Å²	131.6	79%	0.791	73%	0.73	S	S	*	*			trans	-146.5	158.1	-179.9	-92.7	99.9	0	0	0	117.8
1987	R	33.3	Very low	34.9	Very low	235 Å²	235	131.9 Å²	131.9	89%	0.887	72%	0.721	S	S	*	*			trans	74.9	159.2	153.5	-80.5	-172.7	170.3	175.3	-2	122
1988	P	46.4	Very low	34.7	Very low	119 Å²	119	134.1 Å²	134.1	77%	0.773	72%	0.72	S	S	*	*			trans	-135.5	156.2	-143.5	42.1	-25.3	0	0	0	121.3
1989	H	32.1	Very low	34.7	Very low	182 Å²	182	134 Å²	134	84%	0.843	72%	0.724	S	S	*	*			trans	-163.6	164.2	150.5	-151.3	-96	0	0	0	113.4
1990	T	35	Very low	34.5	Very low	82 Å²	82	135.3 Å²	135.3	50%	0.503	73%	0.732	S	S	.	*			trans	-159.2	150.5	-179.4	54	0	0	0	0	115.2
1991	S	30.7	Very low	34.5	Very low	89 Å²	89	137.1 Å²	137.1	62%	0.622	74%	0.736	S	S	*	*			trans	-158.1	165.5	159.7	62	0	0	0	0	113.3
1992	D	35	Very low	34.4	Very low	106 Å²	106	133.8 Å²	133.8	57%	0.567	74%	0.742	S	S	*	*			trans	90	179.3	157.2	-56.4	-57.8	0	0	0	123.5	S2009	D1992-S2009 PolarHBondContact N-OG 3.12Å; D1992-S2009 PolarHBondContact O-OG 3.01Å
1993	N	35	Very low	33.9	Very low	110 Å²	110	133.5 Å²	133.5	59%	0.588	73%	0.734	S	S	*	*			trans	-153.2	170.4	-138.9	-75.9	-73.2	0	0	0	114.6	S2009	N1993-S2009 PolarHBondContact ND2-OG 2.95Å
1994	L	34.5	Very low	33.8	Very low	134 Å²	134	130.4 Å²	130.4	70%	0.702	73%	0.73	S	S	*	*			cis	-179	149.5	-26.2	-170.6	88.8	0	0	0	110.4
1995	Q	34.7	Very low	33.5	Very low	161 Å²	161	136 Å²	136	75%	0.752	74%	0.741	S	S	*	*			trans	66.6	151.4	171.9	-74.3	-177.8	29.1	0	0	117.5
1996	N	32.7	Very low	33.4	Very low	127 Å²	127	136.1 Å²	136.1	68%	0.679	74%	0.737	S	S	*	*			cis	-155.1	164.1	-1.7	-132.6	-23.9	0	0	0	114.1
1997	L	31.9	Very low	33.3	Very low	140 Å²	140	132.7 Å²	132.7	73%	0.733	73%	0.726	S	S	*	*			trans	59.2	107	163.6	-95.5	75.8	0	0	0	123.9
1998	T	31.9	Very low	33.1	Very low	125 Å²	125	131.2 Å²	131.2	77%	0.767	72%	0.72	S	S	*	*			trans	38	110.3	132	55.7	0	0	0	0	123
1999	T	36.9	Very low	32.4	Very low	130 Å²	130	128.8 Å²	128.8	80%	0.798	71%	0.706	S	S	*	*			trans	-134.2	158.4	134.6	47	0	0	0	0	110.2	N2003	T1999-N2003 PolarHBondContact O-ND2 3.37Å; T1999-N2003 VanDerWaalsContact O-ND2 3.13Å
2000	L	30.8	Very low	32.5	Very low	183 Å²	183	125.9 Å²	125.9	96%	0.958	71%	0.706	S	S	*	*			trans	-98	105.7	-168	-80.8	159.6	0	0	0	113.5
2001	S	32.5	Very low	32.3	Very low	88 Å²	88	127.1 Å²	127.1	62%	0.615	72%	0.718	S	S	*	*	S	Bend	trans	-178.9	117.8	141.4	-176.2	0	0	0	0	110.7	N2003	S2001-N2003 PolarHBondContact O-OD1 3.33Å; S2001-N2003 VanDerWaalsContact O-OD1 3.09Å
2002	S	31.2	Very low	32.5	Very low	120 Å²	120	130.6 Å²	130.6	84%	0.839	73%	0.73	S	S	*	*	S	Bend	trans	46.6	78	163.6	53.9	0	0	0	0	116.9
2003	N	34.6	Very low	32.4	Very low	123 Å²	123	129.6 Å²	129.6	66%	0.658	74%	0.737	S	S	*	*			trans	-129.6	139.6	-165.7	-67.3	-44.4	0	0	0	115.1	T1999 S2001	T1999-N2003 PolarHBondContact O-ND2 3.37Å; T1999-N2003 VanDerWaalsContact O-ND2 3.13Å; S2001-N2003 PolarHBondContact O-OD1 3.33Å; S2001-N2003 VanDerWaalsContact O-OD1 3.09Å
2004	A	30.4	Very low	32.2	Very low	95 Å²	95	131.7 Å²	131.7	79%	0.785	75%	0.747	S	S	*	*			trans	163.7	130.3	138.6	0	0	0	0	0	114.6
2005	F	27.2	Very low	32	Very low	190 Å²	190	134.2 Å²	134.2	83%	0.833	75%	0.749	S	S	*	*			trans	-160.9	138.8	170.2	-105.3	-89.7	0	0	0	112.5
2006	Q	31.5	Very low	32	Very low	168 Å²	168	131.9 Å²	131.9	79%	0.785	75%	0.745	S	S	*	*			trans	57.8	168.4	155.9	-71.5	162.4	3.4	0	0	121.4
2007	S	30.2	Very low	32.5	Very low	80 Å²	80	130.8 Å²	130.8	56%	0.559	75%	0.745	S	S	*	*				-167.8	129.2	-56	54	0	0	0	0	116.8
2008	W	29.8	Very low	32.5	Very low	203 Å²	203	134 Å²	134	77%	0.769	75%	0.753	S	S	*	*			trans	75.2	129.2	141.9	-86.6	35.9	0	0	0	127
2009	S	31.7	Very low	32.3	Very low	68 Å²	68	132.7 Å²	132.7	48%	0.476	75%	0.749	S	S	.	*			trans	-169.1	163.5	158.4	-84.4	0	0	0	0	114.4	D1992 N1993	D1992-S2009 PolarHBondContact N-OG 3.12Å; D1992-S2009 PolarHBondContact O-OG 3.01Å; N1993-S2009 PolarHBondContact ND2-OG 2.95Å
2010	S	33.4	Very low	32	Very low	121 Å²	121	134.2 Å²	134.2	85%	0.846	75%	0.752	S	S	*	*			trans	-168.2	158.1	-177.3	60.3	0	0	0	0	117.2
2011	S	32.7	Very low	32.1	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	74%	0.736	S	S	*	*			trans	-146.3	152.7	-178.1	-57.3	0	0	0	0	117.3
2012	N	33.4	Very low	32.1	Very low	163 Å²	163	130.7 Å²	130.7	87%	0.872	73%	0.734	S	S	*	*			trans	68.1	170.9	160.9	-52.2	-20.1	0	0	0	118.2
2013	A	33.3	Very low	32.3	Very low	85 Å²	85	129.8 Å²	129.8	70%	0.702	72%	0.723	S	S	*	*			cis	-153.4	177.2	6	0	0	0	0	0	112.5
2014	L	30.9	Very low	32.8	Very low	153 Å²	153	128.8 Å²	128.8	80%	0.801	72%	0.724	S	S	*	*			trans	-145.5	146.1	-179.1	-75.7	177	0	0	0	117.9
2015	Y	30.8	Very low	33.1	Very low	188 Å²	188	132.6 Å²	132.6	74%	0.737	73%	0.729	S	S	*	*			trans	65.6	107.8	152.4	-85.9	-112.7	0	0	0	125
2016	T	34.4	Very low	33.5	Very low	111 Å²	111	129.9 Å²	129.9	68%	0.681	72%	0.723	S	S	*	*				27.5	160.2	124.2	70.8	0	0	0	0	123.8
2017	P	43.3	Very low	33.7	Very low	104 Å²	104	129.1 Å²	129.1	68%	0.675	71%	0.713	S	S	*	*				-142.7	150.7	-54	40	-22.3	0	0	0	114.8
2018	F	30.8	Very low	34.1	Very low	207 Å²	207	131.6 Å²	131.6	91%	0.908	72%	0.715	S	S	*	*			trans	-151.4	147.7	163.2	-95.3	-78.2	0	0	0	114.1
2019	S	29.5	Very low	34.3	Very low	98 Å²	98	129 Å²	129	69%	0.685	71%	0.712	S	S	*	*			trans	-10.2	150.4	152.5	-63.1	0	0	0	0	119.2
2020	L	30.1	Very low	34.4	Very low	163 Å²	163	130.6 Å²	130.6	85%	0.853	72%	0.723	S	S	*	*			cis	-158.8	-171	15.3	-120.5	161.7	0	0	0	112.2
2021	S	32.4	Very low	34.7	Very low	88 Å²	88	133.2 Å²	133.2	62%	0.615	73%	0.728	S	S	*	*			trans	-84.8	143.6	-159.2	53.9	0	0	0	0	120.6
2022	N	32.1	Very low	34.6	Very low	109 Å²	109	136.5 Å²	136.5	58%	0.583	73%	0.733	S	S	*	*			trans	67.8	101.5	135.4	-66.9	-8.4	0	0	0	124.7	Q2167	N2022-Q2167 PolarHBondContact ND2-NE2 3.2Å
2023	V	35.7	Very low	34.7	Very low	101 Å²	101	138.1 Å²	138.1	61%	0.612	73%	0.733	S	S	*	*				62.5	136.8	110.5	165.8	0	0	0	0	121.4
2024	P	44.5	Very low	34.7	Very low	102 Å²	102	139.3 Å²	139.3	66%	0.662	74%	0.736	S	S	*	*			cis	-144.4	168.3	-30.9	43.1	-25.2	0	0	0	116
2025	I	38	Very low	35	Very low	175 Å²	175	135.3 Å²	135.3	90%	0.897	73%	0.732	S	S	*	*			trans	-143.9	157.7	160.7	-71.9	-165.6	0	0	0	112.8
2026	N	34.5	Very low	35.3	Very low	132 Å²	132	133.9 Å²	133.9	71%	0.706	74%	0.737	S	S	*	*			trans	-72.2	156	-167	-80.9	-53.8	0	0	0	120.8
2027	R	36.7	Very low	35.2	Very low	152 Å²	152	133.7 Å²	133.7	57%	0.574	74%	0.735	S	S	*	*				32.1	157.5	124.9	-58.2	-166.4	173.2	-166.5	1.9	121.7	D2042	R2027-D2042 IonicContact CZ-OD2 3.59Å; R2027-D2042 IonicContact NE-OD2 3.46Å; R2027-D2042 IonicContact NH2-OD2 3.55Å; R2027-D2042 PolarHBondContact NH2-OD2 2.72Å
2028	H	38	Very low	34.5	Very low	132 Å²	132	138.5 Å²	138.5	61%	0.611	74%	0.74	S	S	*	*			cis	-175.2	-163.5	-11.7	-98.1	-171.4	0	0	0	105.6
2029	E	34	Very low	34.5	Very low	148 Å²	148	134.4 Å²	134.4	69%	0.692	73%	0.734	S	S	*	*			cis	-128.5	-134.2	0.9	-70.1	-69.4	160.4	0	0	107
2030	S	34.4	Very low	34.7	Very low	103 Å²	103	132.3 Å²	132.3	72%	0.72	72%	0.718	S	S	*	*			cis	-164.3	118.9	-8.6	44.6	0	0	0	0	111.6
2031	N	39.7	Very low	34.8	Very low	175 Å²	175	128 Å²	128	94%	0.936	71%	0.706	S	S	*	*			trans	-170.2	150.5	145.4	-117.2	-24.6	0	0	0	110.2
2032	M	30.3	Very low	34.8	Very low	178 Å²	178	129.1 Å²	129.1	88%	0.877	71%	0.705	S	S	*	*			trans	-125.1	141.9	-166.1	-57.8	-176.4	-177.5	0	0	114
2033	F	34.7	Very low	34.7	Very low	196 Å²	196	128.3 Å²	128.3	86%	0.86	70%	0.697	S	S	*	*				-172.6	142.5	123.2	-118.5	-85.4	0	0	0	112.1
2034	S	34.4	Very low	34.7	Very low	110 Å²	110	128.5 Å²	128.5	77%	0.769	70%	0.703	S	S	*	*			trans	30.6	122.5	159.5	57.5	0	0	0	0	121.2
2035	G	37.5	Very low	34.2	Very low	69 Å²	69	131.9 Å²	131.9	71%	0.711	71%	0.712	S	S	*	*			trans	179.3	-20.3	164.2	0	0	0	0	0	120.3	V2037	G2035-V2037 PolarHBondContact O-N 3.47Å
2036	N	36.6	Very low	34	Very low	158 Å²	158	130.2 Å²	130.2	85%	0.845	71%	0.705	S	S	*	*			trans	43.8	58.1	173.8	-71.2	3.4	0	0	0	117.4
2037	V	31.2	Very low	33.7	Very low	107 Å²	107	131.7 Å²	131.7	65%	0.648	71%	0.71	S	S	*	*			trans	-87.8	119.6	151.2	176.3	0	0	0	0	108.3	G2035 P2039	G2035-V2037 PolarHBondContact O-N 3.47Å; V2037-P2039 HydrophobicContact CG1-CG 4.42Å
2038	W	29.2	Very low	33.4	Very low	205 Å²	205	130.8 Å²	130.8	78%	0.777	72%	0.716	S	S	*	*			trans	-117.3	109.9	153	-75.5	51.7	0	0	0	104.5	T2040	W2038-T2040 HydrophobicContact CD2-CG2 3.77Å; W2038-T2040 VanDerWaalsContact CE2-CG2 3.46Å; W2038-T2040 HydrophobicContact CE3-CG2 4.47Å; W2038-T2040 HydrophobicContact CG-CG2 3.93Å; W2038-T2040 HydrophobicContact CH2-CG2 4.48Å; W2038-T2040 WeakPolarHBondContact CH2-OG1 3.24Å; W2038-T2040 HydrophobicContact CZ2-CG2 3.84Å; W2038-T2040 WeakPolarHBondContact CZ3-OG1 3.37Å
2039	P	31.7	Very low	33.1	Very low	121 Å²	121	130.3 Å²	130.3	79%	0.786	72%	0.717	S	S	*	*			cis	-76.9	106.5	45.9	28.4	-37.9	0	0	0	116.2	V2037	V2037-P2039 HydrophobicContact CG1-CG 4.42Å
2040	T	33.4	Very low	33	Very low	55 Å²	55	129.8 Å²	129.8	34%	0.337	72%	0.719	S	S	.	*			trans	-78.5	161.9	136.1	55.3	0	0	0	0	106.9	W2038	W2038-T2040 HydrophobicContact CD2-CG2 3.77Å; W2038-T2040 VanDerWaalsContact CE2-CG2 3.46Å; W2038-T2040 HydrophobicContact CE3-CG2 4.47Å; W2038-T2040 HydrophobicContact CG-CG2 3.93Å; W2038-T2040 HydrophobicContact CH2-CG2 4.48Å; W2038-T2040 WeakPolarHBondContact CH2-OG1 3.24Å; W2038-T2040 HydrophobicContact CZ2-CG2 3.84Å; W2038-T2040 WeakPolarHBondContact CZ3-OG1 3.37Å
2041	A	32.6	Very low	32.8	Very low	73 Å²	73	129.8 Å²	129.8	60%	0.603	72%	0.717	S	S	*	*				51.1	116.9	67.1	0	0	0	0	0	112.3
2042	D	32.8	Very low	32.2	Very low	110 Å²	110	130.1 Å²	130.1	59%	0.588	72%	0.716	S	S	*	*			cis	-146.2	162.4	3.4	-144.2	-14.5	0	0	0	113.1	R2027	R2027-D2042 IonicContact CZ-OD2 3.59Å; R2027-D2042 IonicContact NE-OD2 3.46Å; R2027-D2042 IonicContact NH2-OD2 3.55Å; R2027-D2042 PolarHBondContact NH2-OD2 2.72Å
2043	Q	29.5	Very low	32.4	Very low	93 Å²	93	128 Å²	128	44%	0.435	71%	0.713	S	S	.	*			trans	-72.8	159.4	163.7	-90.7	164.1	106	0	0	110.3	S2171	Q2043-S2171 VanDerWaalsContact CD-O 3.32Å; Q2043-S2171 VanDerWaalsContact CG-C 3.43Å; Q2043-S2171 WeakPolarHBondContact CG-O 2.95Å; Q2043-S2171 PolarHBondContact OE1-O 3.31Å
2044	S	34.4	Very low	32.4	Very low	104 Å²	104	121.6 Å²	121.6	73%	0.727	70%	0.702	S	S	*	*			trans	69.7	152.8	163.8	82.5	0	0	0	0	116.2
2045	M	34.6	Very low	32.1	Very low	173 Å²	173	121 Å²	121	85%	0.852	70%	0.698	S	S	*	*			cis	-113.4	169.9	-7.3	-83.6	-65.1	-165.6	0	0	110.7
2046	D	32.9	Very low	31.9	Very low	141 Å²	141	127.8 Å²	127.8	75%	0.754	70%	0.703	S	S	*	*			trans	-58.6	171	169.5	-82.6	-73.4	0	0	0	114.1
2047	M	30.2	Very low	31.5	Very low	163 Å²	163	127 Å²	127	80%	0.803	70%	0.699	S	S	*	*			trans	-22.5	139.8	169.9	-58.6	-177.1	-76.3	0	0	115.3
2048	N	30.1	Very low	31.7	Very low	132 Å²	132	127 Å²	127	71%	0.706	70%	0.7	S	S	*	*			cis	-162.2	166.4	26.9	-149.2	-5.6	0	0	0	112.9
2049	I	31.2	Very low	32	Very low	123 Å²	123	122.8 Å²	122.8	63%	0.631	69%	0.692	S	S	*	*			trans	63.2	113.6	156.1	-69.6	158.2	0	0	0	117.3
2050	N	30.7	Very low	31.9	Very low	137 Å²	137	121.2 Å²	121.2	73%	0.733	68%	0.684	S	S	*	*				32.1	141	126.3	-46.9	-18.2	0	0	0	119.9
2051	C	30.6	Very low	31.7	Very low	102 Å²	102	125.3 Å²	125.3	69%	0.689	70%	0.704	S	S	*	*			cis	-173.6	157.2	-1.9	-114.4	0	0	0	0	109.4
2052	M	28.5	Very low	31.7	Very low	182 Å²	182	129.6 Å²	129.6	90%	0.897	71%	0.712	S	S	*	*			trans	64.6	165.7	161.9	-67.1	174.1	168.1	0	0	114.2
2053	T	33	Very low	31.8	Very low	135 Å²	135	129.9 Å²	129.9	83%	0.828	72%	0.719	S	S	*	*			cis	-82.2	163.7	7.1	50.6	0	0	0	0	113.7
2054	G	35.4	Very low	32	Very low	60 Å²	60	133.8 Å²	133.8	62%	0.619	74%	0.737	S	S	*	*			cis	96.2	141.7	19.9	0	0	0	0	0	110.4
2055	S	27.2	Very low	31.8	Very low	98 Å²	98	137.3 Å²	137.3	69%	0.685	74%	0.74	S	S	*	*			cis	-157.6	-178.9	3.1	-70	0	0	0	0	109.4
2056	Y	33.8	Very low	31.8	Very low	211 Å²	211	134.2 Å²	134.2	83%	0.827	72%	0.723	S	S	*	*				165.5	116.7	121	-84.6	-58.1	0	0	0	112.1
2057	N	29.4	Very low	32	Very low	142 Å²	142	130.8 Å²	130.8	76%	0.759	71%	0.705	S	S	*	*			trans	60.5	157.9	153.3	-72.6	2.2	0	0	0	118.7
2058	T	34.4	Very low	32.4	Very low	107 Å²	107	125.6 Å²	125.6	66%	0.656	68%	0.679	S	S	*	*			cis	-153.2	154.6	-15.4	26.8	0	0	0	0	104.7
2059	N	35.4	Very low	32.7	Very low	116 Å²	116	123.4 Å²	123.4	62%	0.62	67%	0.667	S	S	*	*			cis	-154.7	153.1	1.8	-117.3	5.1	0	0	0	108.8	N2061	N2059-N2061 PolarHBondContact ND2-OD1 2.68Å
2060	S	29.6	Very low	32.9	Very low	89 Å²	89	120.3 Å²	120.3	62%	0.622	66%	0.656	S	S	*	*				-86.1	135.9	125.7	66.6	0	0	0	0	106.2	Q2062	S2060-Q2062 WeakPolarHBondContact CB-O 3.47Å; S2060-Q2062 PolarHBondContact O-N 2.98Å; S2060-Q2062 PolarHBondContact OG-O 2.81Å
2061	N	29.5	Very low	33.1	Very low	141 Å²	141	117.9 Å²	117.9	75%	0.754	65%	0.65	S	S	*	*			trans	-77.1	117.3	157.3	-87	-0.7	0	0	0	106	N2059	N2059-N2061 PolarHBondContact ND2-OD1 2.68Å
2062	Q	33.4	Very low	33.4	Very low	163 Å²	163	119.8 Å²	119.8	76%	0.762	65%	0.653	S	S	*	*			trans	73.7	155.3	-177.6	-56.8	-169.1	-10.2	0	0	116.8	S2060	S2060-Q2062 WeakPolarHBondContact CB-O 3.47Å; S2060-Q2062 PolarHBondContact O-N 2.98Å; S2060-Q2062 PolarHBondContact OG-O 2.81Å
2063	P	33.2	Very low	33.9	Very low	115 Å²	115	117.6 Å²	117.6	75%	0.747	64%	0.643	S	S	*	*			cis	-108.1	123.9	-5.9	34.6	-22.9	0	0	0	114
2064	H	33.8	Very low	34.1	Very low	176 Å²	176	118.9 Å²	118.9	82%	0.815	65%	0.645	S	S	*	*				-69.6	133	129.1	-85.5	-70.5	0	0	0	105.3
2065	F	31	Very low	34	Very low	178 Å²	178	121.1 Å²	121.1	78%	0.781	65%	0.65	S	S	*	*			cis	-144.6	157.1	48.8	-100	-98.7	0	0	0	115.2
2066	Q	35.4	Very low	34.3	Very low	108 Å²	108	121.3 Å²	121.3	51%	0.505	65%	0.652	S	S	.	*			trans	79.8	92.6	142.1	-144.5	86	2.7	0	0	124.2	A2116	Q2066-A2116 PolarHBondContact NE2-O 3.3Å
2067	N	36.6	Very low	34.3	Very low	69 Å²	69	117.3 Å²	117.3	37%	0.369	65%	0.649	S	S	.	*				57.1	126.1	124.2	-64.4	-47.7	0	0	0	128.4	A2116	N2067-A2116 PolarHBondContact ND2-N 2.99Å
2068	Q	38.7	Very low	34.4	Very low	54 Å²	54	117.7 Å²	117.7	25%	0.252	65%	0.65	S	S	.	*				70	148.2	122.9	-61.2	177.7	50.9	0	0	122	R2118	Q2068-R2118 WeakPolarHBondContact O-CG 3.25Å; Q2068-R2118 PolarHBondContact O-N 2.96Å; Q2068-R2118 VanDerWaalsContact O-N 3.14Å
2069	L	35.7	Very low	34.4	Very low	86 Å²	86	117.9 Å²	117.9	45%	0.45	65%	0.651	S	S	.	*			cis	-151.8	-93.8	-3.8	-121.9	170.9	0	0	0	118.4	I2096 I2098	L2069-I2096 HydrophobicContact CD1-CD1 4.29Å; L2069-I2096 HydrophobicContact CD1-CG2 3.76Å; L2069-I2098 HydrophobicContact CD1-CD1 3.86Å; L2069-I2098 HydrophobicContact CD1-CG1 4.31Å
2070	S	36.7	Very low	34.3	Very low	57 Å²	57	119.9 Å²	119.9	40%	0.399	66%	0.657	S	S	.	*			trans	-157.7	173.7	-147.5	57	0	0	0	0	118.7	R2118	S2070-R2118 VanDerWaalsContact O-CZ 3.22Å; S2070-R2118 PolarHBondContact O-NH1 3.47Å; S2070-R2118 PolarHBondContact O-NH2 2.83Å; S2070-R2118 PolarHBondContact OG-NH2 2.8Å
2071	S	34.5	Very low	34.4	Very low	87 Å²	87	122 Å²	122	61%	0.608	66%	0.661	S	S	*	*			trans	63.1	144.6	155.1	61	0	0	0	0	120.8
2072	N	36.4	Very low	34.4	Very low	142 Å²	142	122 Å²	122	76%	0.759	66%	0.661	S	S	*	*			cis	-164.8	154.6	-2.9	-112	0.1	0	0	0	114.7
2073	I	39.6	Very low	34.5	Very low	135 Å²	135	121 Å²	121	69%	0.692	67%	0.666	S	S	*	*			trans	70.4	115.8	145.6	-63.9	167.3	0	0	0	122.1
2074	L	37.6	Very low	34.4	Very low	163 Å²	163	121.9 Å²	121.9	85%	0.853	67%	0.67	S	S	*	*			trans	33	144.1	135.5	-46.7	176.2	0	0	0	121.3
2075	S	32.6	Very low	34.5	Very low	106 Å²	106	119.1 Å²	119.1	74%	0.741	67%	0.668	S	S	*	*			cis	-165.1	147.6	38.2	41.7	0	0	0	0	116.5
2076	S	33.5	Very low	34.6	Very low	102 Å²	102	115.5 Å²	115.5	71%	0.713	66%	0.664	S	S	*	*			trans	48.2	114.4	145.7	61.2	0	0	0	0	126.1
2077	V	32.9	Very low	34.5	Very low	127 Å²	127	117.9 Å²	117.9	77%	0.77	68%	0.68	S	S	*	*				73.3	98	118.3	178.1	0	0	0	0	121.1
2078	L	32.2	Very low	34.3	Very low	150 Å²	150	121.4 Å²	121.4	79%	0.785	70%	0.698	S	S	*	*				171	154	113.3	-100.3	154	0	0	0	114.7
2079	T	34.8	Very low	34.1	Very low	111 Å²	111	122.3 Å²	122.3	68%	0.681	72%	0.722	S	S	*	*			trans	43	111.9	158.1	49.3	0	0	0	0	122.9
2080	H	32.9	Very low	34	Very low	159 Å²	159	126.8 Å²	126.8	74%	0.736	74%	0.743	S	S	*	*				59.7	113.6	129.5	-72.7	-61.7	0	0	0	124
2081	N	31.3	Very low	34.1	Very low	132 Å²	132	129.6 Å²	129.6	71%	0.706	76%	0.758	S	S	*	*			trans	81.2	137.9	130.4	-57	-1.5	0	0	0	121
2082	N	30.4	Very low	34.3	Very low	143 Å²	143	133.9 Å²	133.9	77%	0.765	77%	0.766	S	S	*	*			trans	69.5	83	153.9	-61.1	-4.3	0	0	0	120.2	T2084	N2082-T2084 PolarHBondContact O-N 3.12Å
2083	T	34.9	Very low	34.3	Very low	141 Å²	141	134.3 Å²	134.3	87%	0.865	76%	0.763	S	S	*	*				13.4	100.8	127.2	-43.6	0	0	0	0	118.7
2084	T	31.9	Very low	34.3	Very low	134 Å²	134	132.4 Å²	132.4	82%	0.822	76%	0.762	S	S	*	*			trans	-163.2	157.8	138	8.7	0	0	0	0	110.2	N2082	N2082-T2084 PolarHBondContact O-N 3.12Å
2085	P	36	Very low	34.2	Very low	118 Å²	118	130.4 Å²	130.4	77%	0.766	75%	0.752	S	S	*	*			trans	-112.6	177.1	-169.9	41.8	-34.1	0	0	0	115.4
2086	S	31.7	Very low	34.1	Very low	102 Å²	102	128.1 Å²	128.1	71%	0.713	73%	0.731	S	S	*	*			trans	87.3	123.9	163.5	-154.9	0	0	0	0	118.6
2087	L	34.2	Very low	34.4	Very low	157 Å²	157	126.9 Å²	126.9	82%	0.822	72%	0.722	S	S	*	*				-161.8	167	108.3	-129.3	75	0	0	0	113
2088	D	32.7	Very low	34.4	Very low	143 Å²	143	125.7 Å²	125.7	77%	0.765	71%	0.711	S	S	*	*			trans	-62.2	160	-160.2	-53.8	-61.1	0	0	0	121
2089	G	34.8	Very low	34.6	Very low	73 Å²	73	123.1 Å²	123.1	75%	0.753	70%	0.701	S	S	*	*			trans	87.3	142.3	145.7	0	0	0	0	0	118.3
2090	M	32.3	Very low	34.8	Very low	180 Å²	180	122.8 Å²	122.8	89%	0.887	70%	0.701	S	S	*	*			cis	-145.5	134.8	-5.4	-71.8	-173.9	169.7	0	0	111.8
2091	T	39	Very low	35.1	Very low	117 Å²	117	125.5 Å²	125.5	72%	0.718	71%	0.705	S	S	*	*			trans	44	114.4	151.6	54.9	0	0	0	0	123.2
2092	K	37.9	Very low	35.5	Very low	177 Å²	177	125.5 Å²	125.5	77%	0.77	70%	0.7	S	S	*	*				69.4	149.2	126.4	-66.3	177.1	169.3	-172.6	0	118.8
2093	Q	36.5	Very low	35.8	Very low	150 Å²	150	124.6 Å²	124.6	70%	0.701	69%	0.692	S	S	*	*			cis	-164.1	151	-3	-126.1	166.4	-41.4	0	0	110.8
2094	S	40.1	Very low	35.8	Very low	95 Å²	95	126.6 Å²	126.6	66%	0.664	69%	0.691	S	S	*	*			trans	41.9	153.8	146.2	59.7	0	0	0	0	123.1
2095	N	35.5	Very low	35.7	Very low	121 Å²	121	124.7 Å²	124.7	65%	0.647	67%	0.674	S	S	*	*			cis	-165.7	172.5	-8.1	-104	19.5	0	0	0	108.5	D2117	N2095-D2117 WeakPolarHBondContact CA-OD2 3.3Å; N2095-D2117 WeakPolarHBondContact CB-OD2 3.48Å; N2095-D2117 PolarHBondContact ND2-OD2 2.69Å; N2095-D2117 PolarHBondContact OD1-OD2 2.7Å
2096	I	31.8	Very low	35.6	Very low	59 Å²	59	127.7 Å²	127.7	30%	0.303	68%	0.678	S	S	.	*			trans	-111.7	164.9	170.5	-72.2	-163.2	0	0	0	111.2	L2069 A2116 D2117	L2069-I2096 HydrophobicContact CD1-CD1 4.29Å; L2069-I2096 HydrophobicContact CD1-CG2 3.76Å; I2096-A2116 WeakPolarHBondContact O-CB 2.96Å; I2096-D2117 PolarHBondContact N-OD2 2.98Å
2097	S	39.8	Very low	35.7	Very low	75 Å²	75	126.6 Å²	126.6	52%	0.524	67%	0.671	S	S	.	*			trans	-153.9	143.9	148.1	-93.6	0	0	0	0	113	A2116	S2097-A2116 WeakPolarHBondContact OG-CB 3.13Å
2098	I	32	Very low	35.7	Very low	103 Å²	103	128.9 Å²	128.9	53%	0.528	67%	0.67	S	S	.	*			trans	-103.4	138.2	171.2	-73.4	179.7	0	0	0	109.9	L2069 P2115	L2069-I2098 HydrophobicContact CD1-CD1 3.86Å; L2069-I2098 HydrophobicContact CD1-CG1 4.31Å; I2098-P2115 VanDerWaalsContact O-CG 3.28Å; I2098-P2115 WeakPolarHBondContact O-CG 3.05Å
2099	T	35.6	Very low	35.7	Very low	96 Å²	96	129.3 Å²	129.3	59%	0.589	67%	0.667	S	S	*	*			trans	-177.6	174.6	155.6	17.2	0	0	0	0	109	T2114	T2099-T2114 HydrophobicContact CG2-CG2 3.51Å
2100	P	38.8	Very low	35.7	Very low	104 Å²	104	132.2 Å²	132.2	68%	0.675	67%	0.666	S	S	*	*			cis	-137.9	-171.2	8	45.4	-28.7	0	0	0	116.1
2101	R	39.9	Very low	35.9	Very low	216 Å²	216	128.1 Å²	128.1	82%	0.815	66%	0.655	S	S	*	*			trans	71	153.7	146.1	-78	-159.2	157.7	139.1	-1.6	121.1
2102	Q	40.1	Very low	35.7	Very low	132 Å²	132	129.8 Å²	129.8	62%	0.617	66%	0.657	S	S	*	*			cis	-158.6	164.8	-37.8	-131.2	180	-34	0	0	112.4
2103	Q	35.9	Very low	35.7	Very low	124 Å²	124	128.2 Å²	128.2	58%	0.579	66%	0.657	S	S	*	*			trans	-60.4	170.9	170.3	-50.2	115.9	-26.3	0	0	113	I2105	Q2103-I2105 HydrophobicContact CB-CD1 4.4Å; Q2103-I2105 HydrophobicContact CB-CG1 3.9Å; Q2103-I2105 VanDerWaalsContact CD-CD1 3.49Å; Q2103-I2105 HydrophobicContact CG-CD1 4.17Å; Q2103-I2105 HydrophobicContact CG-CG1 4.06Å
2104	H	34.7	Very low	35.6	Very low	183 Å²	183	125.1 Å²	125.1	85%	0.847	65%	0.648	S	S	*	*				-108.7	130.3	126.7	-159.2	-86.9	0	0	0	109.8
2105	I	30.6	Very low	35.5	Very low	93 Å²	93	122.5 Å²	122.5	48%	0.477	63%	0.629	S	S	.	*			trans	-105.1	152.6	-176.2	-92.5	173.9	0	0	0	109	Q2103 S2107	Q2103-I2105 HydrophobicContact CB-CD1 4.4Å; Q2103-I2105 HydrophobicContact CB-CG1 3.9Å; Q2103-I2105 VanDerWaalsContact CD-CD1 3.49Å; Q2103-I2105 HydrophobicContact CG-CD1 4.17Å; Q2103-I2105 HydrophobicContact CG-CG1 4.06Å; I2105-S2107 VanDerWaalsContact CG2-N 3.27Å
2106	Q	33.4	Very low	35.4	Very low	181 Å²	181	117.4 Å²	117.4	85%	0.846	60%	0.603	S	S	*	*			trans	-121	118.7	138.7	-79	-166.7	-19.4	0	0	109.1
2107	S	34.1	Very low	35.7	Very low	80 Å²	80	116.3 Å²	116.3	56%	0.559	60%	0.598	S	S	*	*			trans	22.7	120	154.9	62.5	0	0	0	0	118.2	I2105	I2105-S2107 VanDerWaalsContact CG2-N 3.27Å
2108	Y	33.3	Very low	35.5	Very low	204 Å²	204	116.8 Å²	116.8	80%	0.8	59%	0.589	S	S	*	*				-157.6	144.5	51	-102.7	-93.2	0	0	0	114.2
2109	Q	34.6	Very low	35.8	Very low	152 Å²	152	116.7 Å²	116.7	71%	0.71	59%	0.592	S	S	*	*			trans	60	131.2	152.8	-83.5	-175.9	11.6	0	0	123.6
2110	N	33.4	Very low	35.5	Very low	135 Å²	135	119 Å²	119	72%	0.722	60%	0.602	S	S	*	*			trans	66.4	132.6	149.2	-47.9	-17	0	0	0	119.5
2111	S	36.1	Very low	35.3	Very low	94 Å²	94	121 Å²	121	66%	0.657	61%	0.605	S	S	*	*			cis	-163.6	138.5	-12.8	-90.8	0	0	0	0	112.3
2112	I	36.1	Very low	34.8	Very low	151 Å²	151	120.8 Å²	120.8	77%	0.774	61%	0.606	S	S	*	*			trans	63.7	101.6	138.5	-57.6	174.8	0	0	0	121.6
2113	L	37.1	Very low	34.8	Very low	144 Å²	144	119.9 Å²	119.9	75%	0.754	61%	0.614	S	S	*	*				56.1	103.2	124.9	-61.9	173.1	0	0	0	126.6
2114	T	34.8	Very low	35	Very low	86 Å²	86	120 Å²	120	53%	0.528	63%	0.629	S	S	.	*				64.1	-171	117.6	65.9	0	0	0	0	121.4	T2099	T2099-T2114 HydrophobicContact CG2-CG2 3.51Å
2115	P	37.8	Very low	35	Very low	40 Å²	40	115 Å²	115	26%	0.26	63%	0.626	S	S	.	*				-135.3	-174.1	-116.4	34	-7.5	0	0	0	119.9	I2098	I2098-P2115 VanDerWaalsContact O-CG 3.28Å; I2098-P2115 WeakPolarHBondContact O-CG 3.05Å
2116	A	33.5	Very low	35.3	Very low	13 Å²	13	115.7 Å²	115.7	11%	0.107	64%	0.636	C	S	.	*			trans	71.9	161.6	171.4	0	0	0	0	0	117.6	Q2066 N2067 I2096 S2097	Q2066-A2116 PolarHBondContact NE2-O 3.3Å; N2067-A2116 PolarHBondContact ND2-N 2.99Å; I2096-A2116 WeakPolarHBondContact O-CB 2.96Å; S2097-A2116 WeakPolarHBondContact OG-CB 3.13Å
2117	D	38.7	Very low	35.3	Very low	37 Å²	37	117.9 Å²	117.9	20%	0.198	64%	0.639	C	S	.	*			cis	-154.9	152.2	11.3	-118.4	-49.5	0	0	0	114.8	N2095 I2096	N2095-D2117 WeakPolarHBondContact CA-OD2 3.3Å; N2095-D2117 WeakPolarHBondContact CB-OD2 3.48Å; N2095-D2117 PolarHBondContact ND2-OD2 2.69Å; N2095-D2117 PolarHBondContact OD1-OD2 2.7Å; I2096-D2117 PolarHBondContact N-OD2 2.98Å
2118	R	36.1	Very low	35.5	Very low	85 Å²	85	117.4 Å²	117.4	32%	0.321	65%	0.646	S	S	.	*				22.2	144.7	129.3	-71.4	178.8	-177.6	-103.7	4.8	121	Q2068 S2070	Q2068-R2118 WeakPolarHBondContact O-CG 3.25Å; Q2068-R2118 PolarHBondContact O-N 2.96Å; Q2068-R2118 VanDerWaalsContact O-N 3.14Å; S2070-R2118 VanDerWaalsContact O-CZ 3.22Å; S2070-R2118 PolarHBondContact O-NH1 3.47Å; S2070-R2118 PolarHBondContact O-NH2 2.83Å; S2070-R2118 PolarHBondContact OG-NH2 2.8Å
2119	V	36.6	Very low	35.4	Very low	100 Å²	100	115 Å²	115	61%	0.606	65%	0.647	S	S	*	*			cis	-167.9	150.1	-2.4	110.1	0	0	0	0	111.5
2120	N	30.2	Very low	35.3	Very low	146 Å²	146	112.6 Å²	112.6	78%	0.781	64%	0.639	S	S	*	*			trans	53.8	133.5	167.7	-61.7	-15.8	0	0	0	118.4
2121	I	34	Very low	35.5	Very low	146 Å²	146	109.4 Å²	109.4	75%	0.749	63%	0.627	S	S	*	*				-162.1	140.2	65.7	-102.3	-169.7	0	0	0	111.8
2122	Y	29.6	Very low	35.4	Very low	210 Å²	210	110.1 Å²	110.1	82%	0.824	63%	0.628	S	S	*	*			trans	41.8	111.7	155.7	-70.9	-121.8	0	0	0	121.3
2123	S	40.3	Very low	35.5	Very low	114 Å²	114	108.5 Å²	108.5	80%	0.797	62%	0.617	S	S	*	*				-177.7	146.7	111.6	-85.4	0	0	0	0	115.6
2124	S	39	Very low	35.4	Very low	127 Å²	127	110 Å²	110	89%	0.888	63%	0.625	S	S	*	*	S	Bend	trans	69.7	147.7	166.6	81.4	0	0	0	0	119.8
2125	G	35.9	Very low	36	Very low	76 Å²	76	109.8 Å²	109.8	78%	0.784	64%	0.64	S	S	*	*			trans	85.7	101.3	163.9	0	0	0	0	0	116.7
2126	P	35.7	Very low	35.4	Very low	108 Å²	108	116.1 Å²	116.1	70%	0.701	66%	0.664	S	S	*	*			trans	-118.5	162.5	-161.2	42.8	-35.2	0	0	0	117.9
2127	Y	35	Very low	35.3	Very low	228 Å²	228	120 Å²	120	89%	0.894	68%	0.682	S	S	*	*			trans	73.6	130.4	159.1	-69.9	-68.5	0	0	0	122
2128	G	36.8	Very low	35.1	Very low	69 Å²	69	119.6 Å²	119.6	71%	0.711	68%	0.682	S	S	*	*			trans	73.8	103.4	149.7	0	0	0	0	0	116.2
2129	N	31.9	Very low	35.1	Very low	154 Å²	154	121.2 Å²	121.2	82%	0.824	70%	0.697	S	S	*	*			cis	63.1	137.9	19.8	-116.5	14.9	0	0	0	116
2130	N	33.5	Very low	35	Very low	102 Å²	102	122.2 Å²	122.2	55%	0.545	70%	0.699	S	S	.	*			trans	81.4	83	160.1	-62.9	16.2	0	0	0	120.1	L2137	N2130-L2137 HydrophobicContact CB-CD2 3.68Å
2131	S	37.1	Very low	35.3	Very low	67 Å²	67	121.7 Å²	121.7	47%	0.469	70%	0.696	S	S	.	*				49.5	143.9	114.7	-39.4	0	0	0	0	123.6	S2138	S2131-S2138 VanDerWaalsContact CB-CB 3.45Å
2132	T	34	Very low	35.4	Very low	110 Å²	110	119.6 Å²	119.6	68%	0.675	69%	0.693	S	S	*	*			trans	-78.2	-167.7	169	35.8	0	0	0	0	113.9	L2137 S2138	T2132-L2137 WeakPolarHBondContact O-CA 3.17Å; T2132-L2137 PolarHBondContact O-N 3.47Å; T2132-S2138 PolarHBondContact O-N 2.72Å
2133	E	38	Very low	35.6	Very low	117 Å²	117	115.9 Å²	115.9	55%	0.547	69%	0.692	S	S	.	*	T	Hydrogen-bonded Turn	trans	76.2	106.9	165.5	-54.8	-177.8	137.7	0	0	117.7	K2136 L2137 S2138	E2133-K2136 VanDerWaalsContact C-N 3.3Å; E2133-K2136 CarbonylContact O-C 3.54Å; E2133-K2136 WeakPolarHBondContact O-CA 3.17Å; E2133-K2136 PolarHBondContact O-N 3.07Å; E2133-K2136 VanDerWaalsContact O-N 3.15Å; E2133-L2137 CarbonylContact O-C 3.51Å; E2133-L2137 VanDerWaalsContact O-C 3.31Å; E2133-L2137 PolarHBondContact O-N 3.32Å; E2133-S2138 PolarHBondContact O-N 2.78Å
2134	L	35.5	Very low	35.6	Very low	174 Å²	174	114.9 Å²	114.9	91%	0.911	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	37.9	86.4	137.7	-57	167.1	0	0	0	117.4
2135	G	46.7	Very low	35.3	Very low	83 Å²	83	113.4 Å²	113.4	86%	0.856	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	cis	-94.4	48.3	4.8	0	0	0	0	0	113.6
2136	K	24.7	Very low	35.4	Very low	172 Å²	172	119.1 Å²	119.1	75%	0.748	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.5	140.7	-139.1	-57.1	-175.6	177.7	-175	0	110.8	E2133	E2133-K2136 VanDerWaalsContact C-N 3.3Å; E2133-K2136 CarbonylContact O-C 3.54Å; E2133-K2136 WeakPolarHBondContact O-CA 3.17Å; E2133-K2136 PolarHBondContact O-N 3.07Å; E2133-K2136 VanDerWaalsContact O-N 3.15Å
2137	L	31.9	Very low	35.2	Very low	94 Å²	94	120.2 Å²	120.2	49%	0.492	67%	0.674	S	S	.	*			trans	78.8	63.4	-178.1	-43.4	-171	0	0	0	116.3	N2130 T2132 E2133	N2130-L2137 HydrophobicContact CB-CD2 3.68Å; T2132-L2137 WeakPolarHBondContact O-CA 3.17Å; T2132-L2137 PolarHBondContact O-N 3.47Å; E2133-L2137 CarbonylContact O-C 3.51Å; E2133-L2137 VanDerWaalsContact O-C 3.31Å; E2133-L2137 PolarHBondContact O-N 3.32Å
2138	S	35	Very low	34.9	Very low	30 Å²	30	117.1 Å²	117.1	21%	0.21	67%	0.67	C	S	.	*				56.4	156.2	106.1	72.1	0	0	0	0	121.5	S2131 T2132 E2133	S2131-S2138 VanDerWaalsContact CB-CB 3.45Å; T2132-S2138 PolarHBondContact O-N 2.72Å; E2133-S2138 PolarHBondContact O-N 2.78Å
2139	N	35.3	Very low	34.7	Very low	118 Å²	118	117.1 Å²	117.1	63%	0.631	66%	0.656	S	S	*	*			trans	80.4	145.6	157.3	-64	-10.2	0	0	0	114.8
2140	N	35.6	Very low	34.8	Very low	122 Å²	122	117.6 Å²	117.6	65%	0.652	65%	0.648	S	S	*	*			cis	-147.5	165.3	15.7	-128.1	-6.9	0	0	0	113.9
2141	L	36.7	Very low	34.9	Very low	134 Å²	134	119.1 Å²	119.1	70%	0.702	66%	0.66	S	S	*	*			trans	12.7	134.1	146.3	-90.3	56.7	0	0	0	119
2142	C	35.1	Very low	34.7	Very low	103 Å²	103	121 Å²	121	70%	0.696	67%	0.673	S	S	*	*				60.1	127.5	76.8	-154.6	0	0	0	0	111.7
2143	V	34.5	Very low	34.8	Very low	132 Å²	132	119.5 Å²	119.5	80%	0.8	67%	0.673	S	S	*	*				-157.3	153.1	85.5	145.2	0	0	0	0	111.4
2144	P	39	Very low	34.6	Very low	92 Å²	92	118.2 Å²	118.2	60%	0.597	68%	0.682	S	S	*	*			trans	-116.1	-176.3	-160.1	37.9	-22.3	0	0	0	114.6
2145	S	33	Very low	34.5	Very low	96 Å²	96	115.7 Å²	115.7	67%	0.671	68%	0.676	S	S	*	*			trans	54.8	125.4	145	64.3	0	0	0	0	120.7
2146	Q	38.8	Very low	34.1	Very low	197 Å²	197	116.8 Å²	116.8	92%	0.921	67%	0.671	S	S	*	*				-127.8	159.6	125.8	-67.5	-165.6	4	0	0	109.5
2147	Q	30.5	Very low	34.6	Very low	131 Å²	131	117.1 Å²	117.1	61%	0.612	68%	0.68	S	S	*	*			trans	-121.6	-177.5	178	-74.7	-174.5	-22.8	0	0	109.7
2148	M	29.1	Very low	34.5	Very low	163 Å²	163	118.3 Å²	118.3	80%	0.803	68%	0.678	S	S	*	*			trans	72.3	150.3	173.9	-65.2	-166.2	-179.5	0	0	115.1
2149	T	32.6	Very low	34.6	Very low	69 Å²	69	121.2 Å²	121.2	42%	0.423	70%	0.695	S	S	.	*			cis	-154.9	168.1	-12.1	-108.8	0	0	0	0	109.9	Y2158 V2159	T2149-Y2158 HydrophobicContact CG2-CD1 4.08Å; T2149-V2159 PolarHBondContact OG1-O 3.16Å
2150	Y	33.6	Very low	34.8	Very low	163 Å²	163	120.1 Å²	120.1	64%	0.639	69%	0.686	S	S	*	*			trans	-58	156.7	176.2	-98.6	-106.7	0	0	0	114.1	S2152 H2160	Y2150-S2152 PolarHBondContact O-N 3.1Å; Y2150-H2160 HydrophobicContact CD2-CB 3.95Å; Y2150-H2160 AromaticContact CD2-CD2 3.64Å; Y2150-H2160 AromaticContact CD2-CG 3.86Å; Y2150-H2160 HydrophobicContact CE2-CB 4.38Å; Y2150-H2160 AromaticContact CE2-CD2 3.25Å; Y2150-H2160 WeakPolarHBondContact CE2-CD2 3.27Å; Y2150-H2160 AromaticContact CE2-CG 3.77Å; Y2150-H2160 AromaticContact CE2-NE2 3.59Å
2151	V	35.5	Very low	35.1	Very low	134 Å²	134	119.2 Å²	119.2	81%	0.812	69%	0.686	S	S	*	*			trans	-81	117.9	-172.6	178.9	0	0	0	0	113.2
2152	S	34.4	Very low	35.2	Very low	106 Å²	106	120 Å²	120	74%	0.741	69%	0.686	S	S	*	*			trans	16.2	99.1	151.2	-55.1	0	0	0	0	120.6	Y2150	Y2150-S2152 PolarHBondContact O-N 3.1Å
2153	A	35.5	Very low	35.3	Very low	80 Å²	80	120 Å²	120	66%	0.661	69%	0.687	S	S	*	*				-164.4	136.1	128.6	0	0	0	0	0	110.8	Y2158	A2153-Y2158 VanDerWaalsContact C-OH 3.26Å; A2153-Y2158 PolarHBondContact N-OH 2.91Å; A2153-Y2158 PolarHBondContact O-OH 2.87Å
2154	A	33	Very low	35.3	Very low	90 Å²	90	120.5 Å²	120.5	74%	0.744	69%	0.691	S	S	*	*			trans	-96.1	165.2	-178.8	0	0	0	0	0	111.6
2155	P	34.3	Very low	35.1	Very low	120 Å²	120	120.2 Å²	120.2	78%	0.779	70%	0.696	S	S	*	*	S	Bend	cis	-130	107.3	6.9	34.3	-14.5	0	0	0	114.4
2156	S	37.3	Very low	35.3	Very low	107 Å²	107	122.8 Å²	122.8	75%	0.748	70%	0.701	S	S	*	*	S	Bend	trans	-160.2	78	167.5	-74.5	0	0	0	0	111.3
2157	L	35	Very low	35.1	Very low	179 Å²	179	118 Å²	118	94%	0.937	68%	0.678	S	S	*	*			trans	19.2	103.8	164.5	-52	175.4	0	0	0	118.2
2158	Y	31.6	Very low	35.5	Very low	118 Å²	118	116.4 Å²	116.4	46%	0.463	68%	0.68	S	S	.	*			trans	-79.9	162.4	-174.3	-64.8	177.9	0	0	0	115.4	T2149 A2153	T2149-Y2158 HydrophobicContact CG2-CD1 4.08Å; A2153-Y2158 VanDerWaalsContact C-OH 3.26Å; A2153-Y2158 PolarHBondContact N-OH 2.91Å; A2153-Y2158 PolarHBondContact O-OH 2.87Å
2159	V	36.6	Very low	35.7	Very low	92 Å²	92	113.1 Å²	113.1	56%	0.558	68%	0.679	S	S	*	*			cis	85.3	134	23	178	0	0	0	0	113.9	T2149	T2149-V2159 PolarHBondContact OG1-O 3.16Å
2160	H	38.7	Very low	36.2	Very low	95 Å²	95	115 Å²	115	44%	0.44	69%	0.692	S	S	.	*			cis	-140.9	154.9	15.2	-168.2	-85.7	0	0	0	114	Y2150	Y2150-H2160 HydrophobicContact CD2-CB 3.95Å; Y2150-H2160 AromaticContact CD2-CD2 3.64Å; Y2150-H2160 AromaticContact CD2-CG 3.86Å; Y2150-H2160 HydrophobicContact CE2-CB 4.38Å; Y2150-H2160 AromaticContact CE2-CD2 3.25Å; Y2150-H2160 WeakPolarHBondContact CE2-CD2 3.27Å; Y2150-H2160 AromaticContact CE2-CG 3.77Å; Y2150-H2160 AromaticContact CE2-NE2 3.59Å
2161	P	41.7	Very low	36.3	Very low	103 Å²	103	110.3 Å²	110.3	67%	0.669	68%	0.683	S	S	*	*			trans	-97.8	-173.6	-180	39.1	-39.5	0	0	0	118.2
2162	Q	40.4	Very low	36.2	Very low	150 Å²	150	113.5 Å²	113.5	70%	0.701	68%	0.681	S	S	*	*			trans	-71.2	179.9	171.5	-77.2	175.3	-21.8	0	0	114.9
2163	S	36	Very low	36.2	Very low	102 Å²	102	112.3 Å²	112.3	71%	0.713	67%	0.672	S	S	*	*			cis	-176.5	171	-33.3	68.7	0	0	0	0	110.1
2164	T	34.1	Very low	36.1	Very low	144 Å²	144	117 Å²	117	88%	0.883	68%	0.678	S	S	*	*			trans	-160	140.7	-175.4	-41.6	0	0	0	0	115.2
2165	A	35.8	Very low	35.9	Very low	85 Å²	85	119.7 Å²	119.7	70%	0.702	68%	0.675	S	S	*	*			trans	162.5	119.6	136.4	0	0	0	0	0	119.1
2166	I	36	Very low	35.9	Very low	150 Å²	150	122.4 Å²	122.4	77%	0.769	68%	0.676	S	S	*	*				65.5	106.7	126.9	-54.9	174.1	0	0	0	124.1
2167	Q	35.6	Very low	35.5	Very low	96 Å²	96	121.2 Å²	121.2	45%	0.449	67%	0.668	S	S	.	*			trans	47.2	166.3	130.4	-67	-142.1	-72.2	0	0	125.2	N2022	N2022-Q2167 PolarHBondContact ND2-NE2 3.2Å
2168	P	38.6	Very low	35.3	Very low	99 Å²	99	121 Å²	121	64%	0.643	67%	0.667	S	S	*	*			cis	-140.1	145.7	-14.7	28.8	-6	0	0	0	119.4
2169	A	33.6	Very low	35.5	Very low	94 Å²	94	120.2 Å²	120.2	78%	0.777	68%	0.679	S	S	*	*			trans	65	160.2	140.4	0	0	0	0	0	122.6
2170	P	43.6	Very low	35.4	Very low	109 Å²	109	121.4 Å²	121.4	71%	0.708	68%	0.681	S	S	*	*			cis	-140.5	165.6	-29.5	36.8	-19.3	0	0	0	116.8
2171	S	35.1	Very low	35.3	Very low	64 Å²	64	122.1 Å²	122.1	45%	0.448	69%	0.694	S	S	.	*			trans	115.2	128.9	150.1	-57.2	0	0	0	0	116.3	Q2043	Q2043-S2171 VanDerWaalsContact CD-O 3.32Å; Q2043-S2171 VanDerWaalsContact CG-C 3.43Å; Q2043-S2171 WeakPolarHBondContact CG-O 2.95Å; Q2043-S2171 PolarHBondContact OE1-O 3.31Å
2172	R	33.7	Very low	35	Very low	201 Å²	201	124.9 Å²	124.9	76%	0.758	70%	0.702	S	S	*	*			cis	-169.5	139.2	9.9	-118.6	167.7	-165.9	-119.9	2.1	113.4
2173	S	33.7	Very low	34.6	Very low	80 Å²	80	125.8 Å²	125.8	56%	0.559	71%	0.706	S	S	*	*			trans	60.2	156.7	138.1	69.6	0	0	0	0	120.4
2174	F	32.9	Very low	34.5	Very low	178 Å²	178	126.1 Å²	126.1	78%	0.781	71%	0.708	S	S	*	*			cis	-147.3	163.5	12.8	-89.9	-83.4	0	0	0	107.8
2175	H	29.6	Very low	34.3	Very low	148 Å²	148	127 Å²	127	69%	0.685	70%	0.702	S	S	*	*			cis	-170.6	174.2	-23.1	-130.8	-130.2	0	0	0	108.6
2176	H	33.3	Very low	34	Very low	176 Å²	176	130.1 Å²	130.1	82%	0.815	70%	0.704	S	S	*	*			trans	124.6	139.2	159.9	-77.1	-74.7	0	0	0	114.2
2177	S	29.3	Very low	33.7	Very low	83 Å²	83	127.6 Å²	127.6	58%	0.58	70%	0.7	S	S	*	*			cis	-174.7	166.8	-39.4	38.2	0	0	0	0	109.3
2178	L	32.2	Very low	33.7	Very low	173 Å²	173	130.5 Å²	130.5	91%	0.906	71%	0.713	S	S	*	*			trans	77.8	143.1	-177.7	-51.4	167	0	0	0	113.1
2179	S	34.3	Very low	33.4	Very low	102 Å²	102	129.3 Å²	129.3	71%	0.713	71%	0.712	S	S	*	*			cis	-150.9	176.2	-6.1	50.5	0	0	0	0	107.8
2180	I	35	Very low	33.3	Very low	117 Å²	117	134.4 Å²	134.4	60%	0.6	71%	0.711	S	S	*	*			cis	-141.5	152.1	28.4	-70.9	178	0	0	0	109.8
2181	P	37.2	Very low	32.8	Very low	111 Å²	111	135.9 Å²	135.9	72%	0.721	71%	0.706	S	S	*	*			trans	-112.3	175.2	-173.3	42.1	-34	0	0	0	115.1
2182	I	34.3	Very low	32.4	Very low	160 Å²	160	135.8 Å²	135.8	82%	0.821	71%	0.705	S	S	*	*			trans	-126.9	131.2	143.4	-68.2	-174.5	0	0	0	109.6
2183	Q	33.4	Very low	32.4	Very low	170 Å²	170	135.4 Å²	135.4	79%	0.794	70%	0.704	S	S	*	*	S	Bend	trans	36.9	100.1	167.5	-74.4	177.6	-36	0	0	120.6
2184	S	32.9	Very low	32	Very low	109 Å²	109	138.1 Å²	138.1	76%	0.762	71%	0.707	S	S	*	*				73.3	87.8	114.7	-59.1	0	0	0	0	120
2185	Q	30.7	Very low	31.6	Very low	161 Å²	161	135.9 Å²	135.9	75%	0.752	70%	0.699	S	S	*	*				-62.6	171.1	121.3	-53.9	-169.6	5.2	0	0	109.4
2186	M	28.7	Very low	31.5	Very low	151 Å²	151	132.8 Å²	132.8	74%	0.744	69%	0.691	S	S	*	*			cis	-165.6	160.5	26.3	-155.4	169.8	-162.5	0	0	110
2187	S	29.3	Very low	31.5	Very low	97 Å²	97	128.9 Å²	128.9	68%	0.678	68%	0.681	S	S	*	*			trans	68.5	144.1	167.1	-55.4	0	0	0	0	115.7
2188	Q	37	Very low	32	Very low	157 Å²	157	132.9 Å²	132.9	73%	0.734	69%	0.69	S	S	*	*			cis	-107.6	115.3	7.9	-67.5	-179.7	13.7	0	0	109.8
2189	A	32.3	Very low	31.9	Very low	75 Å²	75	132.6 Å²	132.6	62%	0.62	68%	0.684	S	S	*	*				71.2	99.3	78.5	0	0	0	0	0	112.4
2190	R	31.2	Very low	31.8	Very low	201 Å²	201	134.8 Å²	134.8	76%	0.758	69%	0.685	S	S	*	*			trans	66.2	127.1	170.9	-51.1	173.7	-178	177.8	-0.3	114.6	I669 C2192	I669-R2190 WeakPolarHBondContact CD1-O 3.23Å; R2190-C2192 HydrophobicContact CB-CB 3.67Å; R2190-C2192 VanDerWaalsContact CD-SG 3.58Å; R2190-C2192 PolarHBondContact O-N 3.28Å
2191	K	32.4	Very low	31.7	Very low	139 Å²	139	135.8 Å²	135.8	60%	0.604	69%	0.692	S	S	*	*			trans	-66.8	74.2	146.6	-84.6	-177	169.2	-140.4	0	107	P667 I669 R2193	P667-K2191 HydrophobicContact CG-CB 4.12Å; P667-K2191 WeakPolarHBondContact O-CD 3.47Å; P667-K2191 WeakPolarHBondContact O-CE 3.1Å; P667-K2191 PolarHBondContact O-NZ 2.93Å; I669-K2191 HydrophobicContact CD1-CG 3.94Å; I669-K2191 HydrophobicContact CG1-CB 4.5Å; I669-K2191 HydrophobicContact CG1-CG 3.77Å; K2191-R2193 PolarHBondContact O-N 3.43Å
2192	C	26.4	Very low	31.9	Very low	62 Å²	62	135.8 Å²	135.8	42%	0.419	69%	0.692	S	S	.	*			trans	-79.2	96.1	-164.9	-144.7	0	0	0	0	109.6	R2190 Q2194	R2190-C2192 HydrophobicContact CB-CB 3.67Å; R2190-C2192 VanDerWaalsContact CD-SG 3.58Å; R2190-C2192 PolarHBondContact O-N 3.28Å; C2192-Q2194 PolarHBondContact O-N 3.17Å
2193	R	33.2	Very low	31.6	Very low	194 Å²	194	132.7 Å²	132.7	73%	0.732	68%	0.684	S	S	*	*			trans	-8	92.2	134.6	-178.3	-152.3	-168	-172.5	5.7	112	K2191	K2191-R2193 PolarHBondContact O-N 3.43Å
2194	Q	26	Very low	31.4	Very low	136 Å²	136	130.9 Å²	130.9	64%	0.636	69%	0.685	S	S	*	*			trans	-132.4	115.7	153.5	-78	-149.3	2.5	0	0	108.8	Q665 C2192	Q665-Q2194 VanDerWaalsContact NE2-C 3.34Å; C2192-Q2194 PolarHBondContact O-N 3.17Å
2195	Q	25.7	Very low	31.3	Very low	131 Å²	131	134.9 Å²	134.9	61%	0.612	69%	0.689	S	S	*	*			trans	70.6	161	133.1	-61.2	-176	14.7	0	0	115.3
2196	V	27.7	Very low	31.4	Very low	84 Å²	84	132.7 Å²	132.7	51%	0.509	69%	0.687	S	S	.	*			cis	-159.1	164.9	-15.7	119.7	0	0	0	0	106
2197	P	33.3	Very low	31.4	Very low	94 Å²	94	129.7 Å²	129.7	61%	0.61	69%	0.686	S	S	*	*	S	Bend	cis	-109.8	166.1	-4.9	13.2	10	0	0	0	112.7
2198	H	39	Very low	31.7	Very low	167 Å²	167	129 Å²	129	77%	0.773	69%	0.694	S	S	*	*			cis	-147.8	177.9	-13.6	-98.1	-43.1	0	0	0	108.4
2199	Q	30.4	Very low	31.5	Very low	167 Å²	167	130.5 Å²	130.5	78%	0.78	69%	0.694	S	S	*	*			trans	-63.8	161.9	172.7	-73.5	-172.7	-4.1	0	0	113
2200	M	31	Very low	31.6	Very low	148 Å²	148	129.9 Å²	129.9	73%	0.729	68%	0.683	S	S	*	*			cis	-161.8	176.2	-6.3	-104	-95.5	-143.7	0	0	110.2
2201	D	32.7	Very low	31.8	Very low	137 Å²	137	122.3 Å²	122.3	73%	0.733	66%	0.661	S	S	*	*			trans	-47.3	163.6	162.9	-86	-72.8	0	0	0	115.6
2202	P	41.9	Very low	31.7	Very low	112 Å²	112	123.8 Å²	123.8	73%	0.727	67%	0.667	S	S	*	*			cis	-132.6	157.3	22	41	-25.2	0	0	0	118.8
2203	S	28.5	Very low	32.2	Very low	95 Å²	95	125.6 Å²	125.6	66%	0.664	68%	0.678	S	S	*	*			trans	53.4	107.3	148.5	61.6	0	0	0	0	120.5
2204	T	28	Very low	32.4	Very low	132 Å²	132	118.4 Å²	118.4	81%	0.81	66%	0.656	S	S	*	*				-168.9	144.9	111.4	20	0	0	0	0	114
2205	F	30.9	Very low	32.7	Very low	192 Å²	192	116.4 Å²	116.4	84%	0.842	65%	0.649	S	S	*	*			trans	63.9	111.7	150.5	-84.7	-117.8	0	0	0	122.5
2206	T	33	Very low	33.2	Very low	116 Å²	116	117 Å²	117	71%	0.712	66%	0.655	S	S	*	*				91.1	98.5	125.7	-54.4	0	0	0	0	121
2207	A	28.7	Very low	33.4	Very low	88 Å²	88	120.6 Å²	120.6	73%	0.727	66%	0.664	S	S	*	*			trans	-4.4	135.5	142.1	0	0	0	0	0	120
2208	G	36.3	Very low	33.4	Very low	81 Å²	81	121 Å²	121	84%	0.835	66%	0.661	S	S	*	*			trans	-156.8	47.9	179.6	0	0	0	0	0	115.7	T2210	G2208-T2210 PolarHBondContact O-N 2.75Å
2209	Y	32.7	Very low	33.2	Very low	190 Å²	190	117.8 Å²	117.8	75%	0.745	65%	0.647	S	S	*	*			trans	-9.8	109.6	172.9	-87.6	-99	0	0	0	120.4
2210	T	34.4	Very low	33.2	Very low	62 Å²	62	115.2 Å²	115.2	38%	0.38	63%	0.631	S	S	.	*				64.7	123.7	119.7	56	0	0	0	0	124.4	S315 T316 G2208	S315-T2210 WeakPolarHBondContact CB-OG1 3.24Å; T316-T2210 WeakPolarHBondContact O-CG2 3.08Å; G2208-T2210 PolarHBondContact O-N 2.75Å
2211	S	35.7	Very low	33.3	Very low	42 Å²	42	115.4 Å²	115.4	29%	0.294	64%	0.635	S	S	.	*			trans	49.3	118.6	140.9	-24	0	0	0	0	121.3	S315 T316	S315-S2211 PolarHBondContact N-O 3.32Å; T316-S2211 PolarHBondContact N-OG 3.19Å; T316-S2211 PolarHBondContact O-OG 2.97Å; T316-S2211 WeakPolarHBondContact OG1-CB 3.24Å; T316-S2211 PolarHBondContact OG1-OG 2.99Å
2212	F	30.5	Very low	33.4	Very low	170 Å²	170	115.6 Å²	115.6	75%	0.746	63%	0.629	S	S	*	*				77	145.5	58.4	-79	-61.5	0	0	0	114.2
2213	P	37	Very low	33.4	Very low	100 Å²	100	113.7 Å²	113.7	65%	0.649	62%	0.617	S	S	*	*			cis	-129.5	174.9	36.4	42.7	-28.7	0	0	0	118.6
2214	T	36.4	Very low	33.7	Very low	42 Å²	42	113.6 Å²	113.6	26%	0.258	61%	0.614	S	S	.	*			trans	69.6	62.9	163.6	50	0	0	0	0	117.8	P1924	P1924-T2214 WeakPolarHBondContact CD-O 3.18Å; P1924-T2214 WeakPolarHBondContact CG-O 3.1Å
2215	D	33.6	Very low	33.9	Very low	94 Å²	94	112.1 Å²	112.1	50%	0.503	61%	0.609	S	S	.	*				55.8	127.9	105.1	-58.4	-52.6	0	0	0	123.8
2216	I	34.8	Very low	34.1	Very low	144 Å²	144	107.8 Å²	107.8	74%	0.738	59%	0.593	S	S	*	*			trans	63.4	97.3	137.5	-57.4	166.9	0	0	0	115.9
2217	K	33.2	Very low	34.3	Very low	159 Å²	159	103.3 Å²	103.3	69%	0.691	57%	0.569	S	S	*	*				65.3	110.2	56.5	-60.9	-168.2	165.6	-151.8	0	115.8
2218	N	33.2	Very low	34.6	Very low	103 Å²	103	100.8 Å²	100.8	55%	0.551	55%	0.551	S	S	*	*				-170.5	117.3	96.7	-94.1	-12.9	0	0	0	111.1
2219	E	33.9	Very low	34.3	Very low	100 Å²	100	100.4 Å²	100.4	47%	0.467	54%	0.535	S	S	.	.				21.8	133.1	115.5	-52.1	161.4	-156.4	0	0	116.3
2220	Y	30.1	Very low	34.3	Very low	113 Å²	113	97 Å²	97	44%	0.443	53%	0.528	S	S	.	.			cis	-143.1	125	30.9	-76.4	-94.6	0	0	0	113.4
2221	N	33.7	Very low	34.3	Very low	152 Å²	152	99.2 Å²	99.2	81%	0.813	54%	0.543	S	S	*	.			trans	-177.9	135.3	149.5	-111.2	-49.7	0	0	0	110.5
2222	F	35.2	Very low	34.8	Very low	140 Å²	140	101.1 Å²	101.1	61%	0.614	56%	0.555	S	S	*	*	S	Bend	trans	-117.2	123.9	170.3	-97.5	-76.4	0	0	0	110.2	I1915 S1916	I1915-F2222 WeakPolarHBondContact O-CD2 3.17Å; S1916-F2222 VanDerWaalsContact O-CZ 3.29Å; S1916-F2222 WeakPolarHBondContact O-CZ 3.31Å
2223	P	41.9	Very low	35.4	Very low	72 Å²	72	96.4 Å²	96.4	47%	0.468	54%	0.541	S	S	.	.			cis	-126	158.2	-30.3	38.1	-25.3	0	0	0	111.7	I2226	P2223-I2226 CarbonylContact O-C 2.94Å; P2223-I2226 PolarHBondContact O-N 2.95Å
2224	P	34.2	Very low	35.6	Very low	93 Å²	93	94.4 Å²	94.4	60%	0.604	53%	0.529	S	S	*	.	S	Bend		-88.1	143.3	117.4	-32.4	39.8	0	0	0	113.2
2225	S	32.5	Very low	35.7	Very low	101 Å²	101	95.6 Å²	95.6	71%	0.706	54%	0.539	S	S	*	.	S	Bend	cis	-89.5	107.6	3.5	-57.3	0	0	0	0	109.2
2226	I	34.9	Very low	35.8	Very low	101 Å²	101	96.8 Å²	96.8	52%	0.518	55%	0.549	S	S	.	.	S	Bend		-134.8	128.3	65.6	-35.5	163.1	0	0	0	110.3	V781 C783 P2223	V781-I2226 HydrophobicContact CG1-CG2 4.29Å; C783-I2226 WeakPolarHBondContact SG-CB 3.42Å; C783-I2226 WeakPolarHBondContact SG-CG2 3.35Å; C783-I2226 PolarHBondContact SG-O 2.61Å; P2223-I2226 CarbonylContact O-C 2.94Å; P2223-I2226 PolarHBondContact O-N 2.95Å
2227	A	37.1	Very low	36	Very low	23 Å²	23	91.4 Å²	91.4	19%	0.19	53%	0.529	C	S	.	.			cis	-167	-148.8	-9.1	0	0	0	0	0	107	K780 V781	K780-A2227 HydrophobicContact CG-CB 4.36Å; V781-A2227 HydrophobicContact CB-CB 3.9Å; V781-A2227 HydrophobicContact CG1-CB 3.97Å; V781-A2227 VanDerWaalsContact O-CB 3.25Å; V781-A2227 WeakPolarHBondContact O-CB 3.3Å
2228	G	34.8	Very low	36.2	Very low	35 Å²	35	91.7 Å²	91.7	36%	0.361	54%	0.537	S	S	.	.			trans	133.2	127.6	172.3	0	0	0	0	0	113.5	V781	V781-G2228 WeakPolarHBondContact O-CA 3.39Å; V781-G2228 PolarHBondContact O-N 3.23Å
2229	C	30.2	Very low	36.2	Very low	73 Å²	73	97.3 Å²	97.3	49%	0.493	55%	0.552	S	S	.	*			cis	-155.4	143.3	-15.2	-144.5	0	0	0	0	112.6	K780 S782	K780-C2229 CarbonylContact O-C 2.95Å; S782-C2229 PolarHBondContact OG-SG 3.18Å; S782-C2229 VanDerWaalsContact OG-SG 3.34Å
2230	I	33.1	Very low	36.1	Very low	119 Å²	119	97.4 Å²	97.4	61%	0.61	56%	0.564	S	S	*	*	S	Bend	trans	81.5	116.4	164.1	-49.2	-157.1	0	0	0	115.2	K780 P2232	K780-I2230 PolarHBondContact O-N 2.92Å; I2230-P2232 HydrophobicContact CB-CB 4.25Å; I2230-P2232 HydrophobicContact CD1-CB 4.15Å; I2230-P2232 HydrophobicContact CG1-CB 3.85Å; I2230-P2232 HydrophobicContact CG2-CB 4.13Å
2231	P	34.7	Very low	36.1	Very low	107 Å²	107	95.9 Å²	95.9	70%	0.695	58%	0.575	S	S	*	*	S	Bend	cis	-58.4	150.9	7.8	-28.6	39.1	0	0	0	116.6	V781	V781-P2231 PolarHBondContact N-O 3.31Å
2232	P	45.7	Very low	36.1	Very low	83 Å²	83	95.9 Å²	95.9	54%	0.539	57%	0.573	S	S	.	*				-130.4	-157.9	-121.6	38.5	-19.5	0	0	0	114.2	I2230	I2230-P2232 HydrophobicContact CB-CB 4.25Å; I2230-P2232 HydrophobicContact CD1-CB 4.15Å; I2230-P2232 HydrophobicContact CG1-CB 3.85Å; I2230-P2232 HydrophobicContact CG2-CB 4.13Å
2233	P	43.5	Very low	36	Very low	70 Å²	70	96.1 Å²	96.1	46%	0.455	58%	0.575	S	S	.	*				-117.5	-136	-62.8	33.2	-13.2	0	0	0	113.6	S782	S782-P2233 WeakPolarHBondContact CB-O 3.17Å
2234	P	41.2	Very low	35.5	Very low	59 Å²	59	100.1 Å²	100.1	38%	0.383	59%	0.588	S	S	.	*				-137.6	-171.8	-104	46.2	-27.5	0	0	0	118.8	Q274 C783	Q274-P2234 PolarHBondContact NE2-O 2.79Å; C783-P2234 CarbonylContact O-C 3.56Å
2235	S	38.6	Very low	35.5	Very low	67 Å²	67	100.1 Å²	100.1	47%	0.469	59%	0.59	S	S	.	*			trans	75.6	161.6	152.2	64.4	0	0	0	0	122	C783 A784 S785	C783-S2235 VanDerWaalsContact C-N 3.28Å; C783-S2235 PolarHBondContact O-N 3.25Å; A784-S2235 VanDerWaalsContact C-C 3.43Å; A784-S2235 CarbonylContact C-O 3.35Å; A784-S2235 WeakPolarHBondContact CA-O 3.3Å; A784-S2235 PolarHBondContact N-O 2.89Å; A784-S2235 CarbonylContact O-C 3.58Å; S785-S2235 CarbonylContact O-C 3.13Å
2236	V	36.2	Very low	35.4	Very low	119 Å²	119	101.7 Å²	101.7	72%	0.721	59%	0.591	S	S	*	*			cis	-166.8	135.9	-47.6	156.2	0	0	0	0	109.5	A784 S785	A784-V2236 CarbonylContact O-C 3.07Å; A784-V2236 WeakPolarHBondContact O-CA 3.16Å; A784-V2236 PolarHBondContact O-N 3.03Å; S785-V2236 CarbonylContact O-C 3.45Å; S785-V2236 PolarHBondContact O-N 3.22Å; S785-V2236 VanDerWaalsContact O-O 3.08Å
2237	G	38.4	Very low	35	Very low	30 Å²	30	107.1 Å²	107.1	31%	0.309	61%	0.606	S	S	.	*			trans	152	154.9	150.1	0	0	0	0	0	121.1	S785 S786	S785-G2237 PolarHBondContact OG-N 3.2Å; S785-G2237 PolarHBondContact OG-O 2.82Å; S786-G2237 VanDerWaalsContact CB-O 3.27Å; S786-G2237 WeakPolarHBondContact CB-O 3.21Å; S786-G2237 PolarHBondContact OG-O 3.3Å
2238	L	36.7	Very low	35.2	Very low	166 Å²	166	110.5 Å²	110.5	87%	0.869	63%	0.626	S	S	*	*			trans	-150.3	-166.8	-176.3	-119.3	175	0	0	0	112.6
2239	Y	34.1	Very low	35	Very low	221 Å²	221	112.6 Å²	112.6	87%	0.867	63%	0.626	S	S	*	*			trans	85	145.3	-179.7	-67.1	-90.7	0	0	0	117.2
2240	S	30.7	Very low	34.8	Very low	102 Å²	102	112.4 Å²	112.4	71%	0.713	62%	0.621	S	S	*	*			cis	-167.6	156	-27.6	-129.5	0	0	0	0	115
2241	A	31.6	Very low	34.7	Very low	81 Å²	81	110.7 Å²	110.7	67%	0.669	62%	0.619	S	S	*	*			trans	75	142.1	139.9	0	0	0	0	0	125
2242	I	32.1	Very low	34.6	Very low	151 Å²	151	106.8 Å²	106.8	77%	0.774	60%	0.599	S	S	*	*			trans	91.2	108	141.2	-76.5	160.6	0	0	0	122.4
2243	H	33.5	Very low	33.8	Very low	145 Å²	145	112.7 Å²	112.7	67%	0.671	61%	0.61	S	S	*	*			trans	90.4	116.3	135.9	-81.9	-138.7	0	0	0	125.6
2244	Q	32.4	Very low	33.5	Very low	156 Å²	156	115 Å²	115	73%	0.729	62%	0.615	S	S	*	*				83.8	93.7	124.3	-74.6	176.4	-28.6	0	0	123.4
2245	S	33.6	Very low	33	Very low	93 Å²	93	115.2 Å²	115.2	65%	0.65	62%	0.622	S	S	*	*				80.5	122.9	111.1	69.6	0	0	0	0	123.7
2246	N	29.9	Very low	32.7	Very low	135 Å²	135	118.1 Å²	118.1	72%	0.722	63%	0.63	S	S	*	*			trans	80.2	103.7	136.5	-61	-10.7	0	0	0	122.2
2247	Y	27.7	Very low	32.6	Very low	215 Å²	215	114.3 Å²	114.3	84%	0.843	62%	0.615	S	S	*	*				44.9	151.1	114.9	-70.3	-69.2	0	0	0	122.2
2248	P	40	Very low	32.3	Very low	93 Å²	93	115.8 Å²	115.8	60%	0.604	61%	0.613	S	S	*	*			cis	-142.8	172.5	-13.7	41.1	-22.7	0	0	0	117.9
2249	Q	30.5	Very low	32.3	Very low	79 Å²	79	110.2 Å²	110.2	37%	0.369	59%	0.587	S	S	.	*			trans	67.1	142.3	141.6	-81.2	148	-27.5	0	0	125.3	D462 N463 Y1144	D462-Q2249 PolarHBondContact OD1-NE2 2.89Å; N463-Q2249 PolarHBondContact ND2-NE2 2.79Å; Y1144-Q2249 PolarHBondContact OH-O 3.2Å
2250	N	27.4	Very low	32.2	Very low	69 Å²	69	105 Å²	105	37%	0.369	58%	0.578	S	S	.	*			trans	18.5	144.6	153.6	-58.4	-25.6	0	0	0	123.4	D462 K1141 Y1144	D462-N2250 PolarHBondContact OD1-ND2 3.15Å; D462-N2250 PolarHBondContact OD2-ND2 3.11Å; K1141-N2250 WeakPolarHBondContact CE-OD1 3.19Å; K1141-N2250 PolarHBondContact NZ-OD1 3.42Å; Y1144-N2250 VanDerWaalsContact CE1-C 3.47Å; Y1144-N2250 WeakPolarHBondContact CE1-O 3.48Å; Y1144-N2250 VanDerWaalsContact CZ-C 3.42Å; Y1144-N2250 VanDerWaalsContact OH-CA 3.3Å; Y1144-N2250 WeakPolarHBondContact OH-CA 3.24Å; Y1144-N2250 PolarHBondContact OH-N 2.97Å; Y1144-N2250 VanDerWaalsContact OH-N 3.1Å; Y1144-N2250 PolarHBondContact OH-O 2.9Å
2251	S	31	Very low	32.3	Very low	83 Å²	83	104.1 Å²	104.1	58%	0.58	57%	0.569	S	S	*	*			cis	-176.2	148	-4.4	47.5	0	0	0	0	113.1
2252	G	32.1	Very low	32.2	Very low	26 Å²	26	105.5 Å²	105.5	27%	0.268	57%	0.569	S	S	.	*			trans	159.2	177.2	170.4	0	0	0	0	0	114.7	K1141 M1142 Y1143	K1141-G2252 CarbonylContact C-O 3.02Å; K1141-G2252 WeakPolarHBondContact CA-O 3.3Å; K1141-G2252 WeakPolarHBondContact CB-O 3.35Å; M1142-G2252 PolarHBondContact N-O 2.96Å; Y1143-G2252 PolarHBondContact N-O 2.98Å; Y1143-G2252 CarbonylContact O-C 2.89Å; Y1143-G2252 WeakPolarHBondContact O-CA 3.37Å
2253	R	28.9	Very low	32.2	Very low	207 Å²	207	105 Å²	105	78%	0.781	57%	0.568	S	S	*	*			trans	-136.8	116.8	-162.6	35.4	72.6	165.5	-142.6	-8.7	119.3	Y1143	Y1143-R2253 PolarHBondContact O-N 2.84Å
2254	H	36.7	Very low	32.1	Very low	118 Å²	118	101.5 Å²	101.5	55%	0.546	56%	0.559	S	S	.	*			trans	-162.9	136.5	156	-75.3	-65.6	0	0	0	106.1	M1142 Y1143	M1142-H2254 WeakPolarHBondContact CB-O 3.36Å; Y1143-H2254 AromaticContact CD1-CD2 3.74Å; Y1143-H2254 AromaticContact CD2-CD2 3.87Å; Y1143-H2254 HydrophobicContact CG-CB 4.49Å; Y1143-H2254 AromaticContact CG-CD2 3.52Å
2255	A	30.4	Very low	32.2	Very low	64 Å²	64	104.1 Å²	104.1	53%	0.529	56%	0.564	S	S	.	*			cis	93.9	127.6	46.7	0	0	0	0	0	113.8
2256	I	32.1	Very low	32.3	Very low	127 Å²	127	104.5 Å²	104.5	65%	0.651	57%	0.567	S	S	*	*			trans	70.8	128.8	171.8	-47.2	173.4	0	0	0	118.4	P95	P95-I2256 VanDerWaalsContact CB-C 3.43Å; P95-I2256 WeakPolarHBondContact CG-O 3.3Å
2257	G	35.8	Very low	32.7	Very low	39 Å²	39	104.9 Å²	104.9	40%	0.402	57%	0.568	S	S	.	*			trans	126.7	96.5	161.3	0	0	0	0	0	116.7	P95 V96	P95-G2257 WeakPolarHBondContact CD-O 3.36Å; P95-G2257 CarbonylContact O-C 3.52Å; P95-G2257 VanDerWaalsContact O-C 3.27Å; V96-G2257 CarbonylContact O-C 2.95Å; V96-G2257 PolarHBondContact O-N 3.37Å
2258	F	31.6	Very low	33.1	Very low	61 Å²	61	102.4 Å²	102.4	27%	0.268	57%	0.568	S	S	.	*			trans	-64.6	172.6	171.9	-97.6	-46.3	0	0	0	113.1	P95 V96 R1135 M1137 T2260	P95-F2258 WeakPolarHBondContact O-CA 3.17Å; P95-F2258 VanDerWaalsContact O-CD1 3.27Å; P95-F2258 WeakPolarHBondContact O-CD1 2.93Å; P95-F2258 WeakPolarHBondContact O-CG 3.38Å; P95-F2258 PolarHBondContact O-N 3.06Å; V96-F2258 PolarHBondContact O-N 2.87Å; R1135-F2258 HydrophobicContact CB-CE2 4.36Å; R1135-F2258 HydrophobicContact CB-CZ 3.89Å; R1135-F2258 HydrophobicContact CG-CZ 4.18Å; M1137-F2258 HydrophobicContact CG-CE1 4.41Å; M1137-F2258 HydrophobicContact SD-CE1 4.26Å; F2258-T2260 PolarHBondContact O-N 2.95Å
2259	P	36	Very low	32.9	Very low	50 Å²	50	101.4 Å²	101.4	33%	0.325	58%	0.575	S	S	.	*			trans	-68.9	133.6	-148.7	-18.6	32.6	0	0	0	115.7
2260	T	31.5	Very low	32.9	Very low	111 Å²	111	105.3 Å²	105.3	68%	0.681	60%	0.599	S	S	*	*			trans	-24.6	141.6	132.6	52	0	0	0	0	114.4	F2258	F2258-T2260 PolarHBondContact O-N 2.95Å
2261	T	33.3	Very low	33.7	Very low	83 Å²	83	107.7 Å²	107.7	51%	0.509	62%	0.618	S	S	.	*			cis	-164	147.8	-5.4	25.6	0	0	0	0	108.7
2262	V	29.6	Very low	33.7	Very low	111 Å²	111	109 Å²	109	67%	0.673	63%	0.627	S	S	*	*				7.7	142.9	118.6	-125.2	0	0	0	0	116.6
2263	N	32.1	Very low	33.7	Very low	141 Å²	141	111.8 Å²	111.8	75%	0.754	65%	0.648	S	S	*	*				173.9	161.5	84.8	-99.3	-25	0	0	0	108.4
2264	S	30.9	Very low	33.6	Very low	70 Å²	70	108.1 Å²	108.1	49%	0.49	65%	0.648	S	S	.	*			cis	-179.3	-175.5	-18.2	53.1	0	0	0	0	107.3
2265	Y	34.6	Very low	33.2	Very low	212 Å²	212	107.1 Å²	107.1	83%	0.831	65%	0.654	S	S	*	*				-174.2	152.5	109.6	-98.1	-65	0	0	0	111.5
2266	S	35.2	Very low	33.4	Very low	101 Å²	101	110.3 Å²	110.3	71%	0.706	66%	0.663	S	S	*	*			trans	69.8	132.4	164.6	-53.5	0	0	0	0	118.3
2267	L	40.1	Very low	33.7	Very low	143 Å²	143	110.5 Å²	110.5	75%	0.749	67%	0.665	S	S	*	*			cis	-157.9	166.5	-16	-135.9	119.7	0	0	0	110.2
2268	L	35.8	Very low	33.3	Very low	162 Å²	162	116.9 Å²	116.9	85%	0.848	68%	0.684	S	S	*	*			trans	-28.6	156.4	178.5	-73.5	44.8	0	0	0	118.3
2269	G	35.5	Very low	33.4	Very low	73 Å²	73	118.5 Å²	118.5	75%	0.753	71%	0.709	S	S	*	*			cis	167.9	-159	4.2	0	0	0	0	0	114.3
2270	N	30.5	Very low	33.1	Very low	161 Å²	161	120.2 Å²	120.2	86%	0.861	73%	0.727	S	S	*	*			trans	-30.2	165.8	171.1	-81.8	-16	0	0	0	119.7
2271	P	44.5	Very low	33.5	Very low	118 Å²	118	119 Å²	119	77%	0.766	74%	0.736	S	S	*	*			cis	-139.6	-119.1	-22.6	38.7	-16.3	0	0	0	112.3
2272	S	29.5	Very low	33.6	Very low	111 Å²	111	123 Å²	123	78%	0.776	75%	0.749	S	S	*	*			trans	-63.7	164.9	179.8	-54	0	0	0	0	115.2
2273	A	33.3	Very low	33.9	Very low	85 Å²	85	122.3 Å²	122.3	70%	0.702	75%	0.747	S	S	*	*			trans	88.8	104	167.1	0	0	0	0	0	117.3
2274	T	27.5	Very low	34.2	Very low	129 Å²	129	126 Å²	126	79%	0.791	75%	0.752	S	S	*	*			trans	45	142.9	130.1	56.6	0	0	0	0	122.7
2275	S	28.3	Very low	34.2	Very low	97 Å²	97	126.4 Å²	126.4	68%	0.678	76%	0.76	S	S	*	*			trans	89.6	151.9	152.6	84.1	0	0	0	0	117.4
2276	N	33	Very low	34.3	Very low	131 Å²	131	122.1 Å²	122.1	70%	0.701	76%	0.758	S	S	*	*			trans	66.7	105.2	155.2	-59.2	-12.9	0	0	0	116.3
2277	L	39	Very low	34.5	Very low	132 Å²	132	121.8 Å²	121.8	69%	0.691	76%	0.761	S	S	*	*				79.6	105.6	79.8	-77.4	168.8	0	0	0	112.3
2278	Q	27.5	Very low	34.4	Very low	172 Å²	172	122.9 Å²	122.9	80%	0.804	77%	0.766	S	S	*	*				27.8	100.9	99.5	-178.5	-171.4	-14.2	0	0	116.5
2279	A	33.4	Very low	34.1	Very low	96 Å²	96	118.2 Å²	118.2	79%	0.793	76%	0.757	S	S	*	*			trans	-153.1	109.2	136	0	0	0	0	0	106.7
2280	A	29.7	Very low	34.3	Very low	85 Å²	85	120.5 Å²	120.5	70%	0.702	76%	0.759	S	S	*	*				80.1	106.9	53.5	0	0	0	0	0	112.9
2281	G	40	Very low	34.6	Very low	85 Å²	85	117.2 Å²	117.2	88%	0.876	75%	0.754	S	S	*	*			trans	-120.8	15.9	164.8	0	0	0	0	0	112.6
2282	Q	34.7	Very low	34	Very low	168 Å²	168	114.9 Å²	114.9	79%	0.785	75%	0.745	S	S	*	*			trans	-63.6	136.8	154.6	-69.6	-79.4	-36.5	0	0	106.6
2283	P	37.4	Very low	34.3	Very low	96 Å²	96	111.4 Å²	111.4	62%	0.623	73%	0.726	S	S	*	*				-150.3	159.6	77	40.8	-23.8	0	0	0	116.1
2284	Y	37.4	Very low	34.2	Very low	218 Å²	218	114.9 Å²	114.9	86%	0.855	73%	0.733	S	S	*	*				-164.9	85.8	102.7	-102.2	-67.9	0	0	0	110.9
2285	A	31.3	Very low	34.4	Very low	80 Å²	80	111.5 Å²	111.5	66%	0.661	72%	0.724	S	S	*	*			trans	-78.6	176.6	151.8	0	0	0	0	0	109.1
2286	P	37.6	Very low	34.6	Very low	122 Å²	122	110.7 Å²	110.7	79%	0.792	73%	0.731	S	S	*	*				-147.9	176.2	102	38.7	-23.9	0	0	0	115.1
2287	A	39.1	Very low	34.5	Very low	93 Å²	93	107.8 Å²	107.8	77%	0.769	73%	0.732	S	S	*	*			trans	65.9	124.5	157.5	0	0	0	0	0	117.6
2288	I	36.9	Very low	34.4	Very low	166 Å²	166	109.5 Å²	109.5	85%	0.851	74%	0.741	S	S	*	*			cis	-141	145.7	-4.1	-49.8	179.1	0	0	0	107.4
2289	G	31.2	Very low	34.8	Very low	65 Å²	65	108.4 Å²	108.4	67%	0.67	74%	0.74	S	S	*	*			trans	-90	-138.9	170.1	0	0	0	0	0	112.3
2290	P	39.6	Very low	35.3	Very low	121 Å²	121	109.3 Å²	109.3	79%	0.786	74%	0.737	S	S	*	*			cis	-141.9	-177.4	-11.5	41.4	-23.9	0	0	0	114.7
2291	A	34.8	Very low	35.4	Very low	91 Å²	91	111.9 Å²	111.9	75%	0.752	74%	0.735	S	S	*	*			trans	63.1	177.8	142.3	0	0	0	0	0	119.8
2292	A	33.6	Very low	35.9	Very low	70 Å²	70	114.5 Å²	114.5	58%	0.579	74%	0.736	S	S	*	*				-170.6	163.2	-51.9	0	0	0	0	0	108.2	L117 Y118	L117-A2292 CarbonylContact C-O 3.49Å; L117-A2292 CarbonylContact O-C 3.5Å; L117-A2292 WeakPolarHBondContact O-CA 3.25Å; Y118-A2292 VanDerWaalsContact N-C 3.27Å; Y118-A2292 PolarHBondContact N-O 3.22Å
2293	G	35.9	Very low	35.9	Very low	38 Å²	38	111.4 Å²	111.4	39%	0.392	73%	0.728	S	S	.	*			trans	124.2	121.5	164.6	0	0	0	0	0	115.8	L117 Y118	L117-G2293 CarbonylContact C-O 3.37Å; L117-G2293 VanDerWaalsContact C-O 3.25Å; L117-G2293 PolarHBondContact O-N 2.97Å; Y118-G2293 PolarHBondContact N-O 2.87Å
2294	N	30.4	Very low	36	Very low	157 Å²	157	111.6 Å²	111.6	84%	0.84	73%	0.73	S	S	*	*			trans	-102.3	135.2	158.7	-154.3	3.7	0	0	0	107.2
2295	G	32.8	Very low	35.6	Very low	58 Å²	58	108.6 Å²	108.6	60%	0.598	72%	0.724	S	S	*	*			trans	104.6	122.6	163.1	0	0	0	0	0	118.4
2296	G	32	Very low	35.6	Very low	81 Å²	81	107.5 Å²	107.5	84%	0.835	72%	0.72	S	S	*	*			trans	83.6	105.7	131.8	0	0	0	0	0	118.9
2297	G	30.9	Very low	35.4	Very low	69 Å²	69	104.9 Å²	104.9	71%	0.711	72%	0.715	S	S	*	*			trans	156.3	125.1	154.1	0	0	0	0	0	115.7
2298	L	37.5	Very low	35.2	Very low	169 Å²	169	107.9 Å²	107.9	89%	0.885	71%	0.707	S	S	*	*			trans	44.5	113.1	138.8	-51.4	-179.3	0	0	0	119.3
2299	L	35.6	Very low	35	Very low	149 Å²	149	106.7 Å²	106.7	78%	0.78	70%	0.703	S	S	*	*			trans	-45.6	139.6	142.3	-67.2	162.9	0	0	0	109.4
2300	P	43.6	Very low	35.2	Very low	114 Å²	114	109.3 Å²	109.3	74%	0.74	70%	0.701	S	S	*	*				-136	156.3	79.8	37.5	-25.5	0	0	0	115.8
2301	H	32.3	Very low	34.8	Very low	140 Å²	140	109.4 Å²	109.4	65%	0.648	70%	0.7	S	S	*	*			trans	-67.7	149.5	163.1	-68.2	-70.1	0	0	0	111.3	V2303	H2301-V2303 HydrophobicContact CB-CG2 3.96Å
2302	P	48.8	Very low	34.8	Very low	140 Å²	140	110.3 Å²	110.3	91%	0.909	70%	0.698	S	S	*	*				-123	71.5	123.5	36.2	-33.5	0	0	0	113.1
2303	V	34.7	Very low	34.7	Very low	102 Å²	102	112.4 Å²	112.4	62%	0.618	71%	0.707	S	S	*	*				-87.7	167	126.4	-102.8	0	0	0	0	107.3	H2301	H2301-V2303 HydrophobicContact CB-CG2 3.96Å
2304	P	39.8	Very low	34.7	Very low	100 Å²	100	119 Å²	119	65%	0.649	73%	0.727	S	S	*	*			cis	-117.5	-156.3	-31.8	33.2	-17.7	0	0	0	108.8
2305	Q	29.6	Very low	34.7	Very low	156 Å²	156	119.8 Å²	119.8	73%	0.729	72%	0.724	S	S	*	*				166.9	176.7	117.8	-89.4	170.8	32.2	0	0	113	Y2308	Q2305-Y2308 PolarHBondContact OE1-OH 2.81Å
2306	G	31.6	Very low	35.3	Very low	57 Å²	57	122.7 Å²	122.7	59%	0.588	73%	0.732	S	S	*	*			trans	87.8	63.1	-178.8	0	0	0	0	0	114.8
2307	G	32.5	Very low	35.5	Very low	66 Å²	66	123.5 Å²	123.5	68%	0.68	72%	0.721	S	S	*	*			cis	78.5	-175	10.2	0	0	0	0	0	114
2308	Y	34.3	Very low	36.1	Very low	157 Å²	157	125.6 Å²	125.6	62%	0.616	72%	0.722	S	S	*	*			trans	68.1	126.1	-174.8	-44.3	-66.9	0	0	0	112.7	Q2305	Q2305-Y2308 PolarHBondContact OE1-OH 2.81Å
2309	N	34.3	Very low	36	Very low	140 Å²	140	124.3 Å²	124.3	75%	0.749	71%	0.714	S	S	*	*			cis	-136.6	160.5	17	-65.7	-75.1	0	0	0	110.7
2310	N	35.1	Very low	35.8	Very low	120 Å²	120	123 Å²	123	64%	0.642	71%	0.712	S	S	*	*			cis	-165.1	172.6	-19.8	-100.2	-11.5	0	0	0	109.3
2311	T	29.8	Very low	35.2	Very low	124 Å²	124	122.7 Å²	122.7	76%	0.761	71%	0.713	S	S	*	*			trans	-69.8	171	152.8	40.7	0	0	0	0	111.7
2312	P	35.4	Very low	35.1	Very low	110 Å²	110	123.2 Å²	123.2	71%	0.714	72%	0.721	S	S	*	*			cis	-128.1	-154.1	-0.2	30.7	-6.5	0	0	0	112.3
2313	C	32.7	Very low	34.3	Very low	113 Å²	113	121 Å²	121	76%	0.764	71%	0.708	S	S	*	*			trans	81.5	142.6	158.1	-63.5	0	0	0	0	120.5
2314	H	35.2	Very low	34.1	Very low	177 Å²	177	121.5 Å²	121.5	82%	0.819	71%	0.711	S	S	*	*			trans	52.5	102	162.1	-82	-88.3	0	0	0	122.1
2315	F	30.9	Very low	33.6	Very low	174 Å²	174	122.7 Å²	122.7	76%	0.763	72%	0.722	S	S	*	*				1.6	149.7	119.7	-76.1	-83.3	0	0	0	118.9
2316	P	44.3	Very low	33.9	Very low	118 Å²	118	121.6 Å²	121.6	77%	0.766	72%	0.722	S	S	*	*			cis	-139.7	161	39.8	42.9	-26	0	0	0	120.3
2317	T	36.2	Very low	33.7	Very low	99 Å²	99	128.7 Å²	128.7	61%	0.607	73%	0.732	S	S	*	*			trans	-45.7	152.1	148.1	42.7	0	0	0	0	112.7
2318	P	43.4	Very low	33.8	Very low	112 Å²	112	129.5 Å²	129.5	73%	0.727	73%	0.732	S	S	*	*				-145	174.3	63.7	34.8	-12.9	0	0	0	114.5
2319	I	36	Very low	33.8	Very low	142 Å²	142	130 Å²	130	73%	0.728	75%	0.746	S	S	*	*			cis	-157.2	149.7	-10.4	-115.5	164.4	0	0	0	106.3
2320	T	31.1	Very low	33.9	Very low	121 Å²	121	127.5 Å²	127.5	74%	0.742	74%	0.744	S	S	*	*			cis	-154.4	167.5	-34.8	15.3	0	0	0	0	107.1
2321	S	30.8	Very low	34	Very low	108 Å²	108	126 Å²	126	76%	0.755	74%	0.743	S	S	*	*			trans	-149.7	144.9	170.1	58.9	0	0	0	0	110.7
2322	N	30.6	Very low	34.6	Very low	152 Å²	152	127.9 Å²	127.9	81%	0.813	75%	0.749	S	S	*	*			trans	-153.5	126.4	159.3	-96.6	-36.8	0	0	0	109.1
2323	S	32.9	Very low	34.1	Very low	92 Å²	92	131.9 Å²	131.9	64%	0.643	75%	0.751	S	S	*	*				77.9	109.9	72.2	-56.5	0	0	0	0	110.5
2324	V	30.2	Very low	33.9	Very low	113 Å²	113	133 Å²	133	69%	0.685	75%	0.754	S	S	*	*			cis	65.3	105.9	45.8	-171.3	0	0	0	0	112.9
2325	S	29.4	Very low	33.6	Very low	125 Å²	125	127.3 Å²	127.3	87%	0.874	74%	0.743	S	S	*	*			trans	-169.3	166.5	136.4	-83.5	0	0	0	0	109.5
2326	N	34.7	Very low	33.5	Very low	134 Å²	134	125.8 Å²	125.8	72%	0.717	75%	0.748	S	S	*	*			trans	-143.3	152.7	-172.7	-160.3	9.3	0	0	0	110.6
2327	Y	28.5	Very low	33.2	Very low	206 Å²	206	127.8 Å²	127.8	81%	0.808	75%	0.75	S	S	*	*			trans	71.6	129.7	171.6	-85.6	-83.6	0	0	0	122.3
2328	A	34.4	Very low	33.4	Very low	83 Å²	83	127 Å²	127	69%	0.686	76%	0.761	S	S	*	*			trans	91.4	134.4	137.2	0	0	0	0	0	120
2329	N	33.8	Very low	33	Very low	167 Å²	167	125.4 Å²	125.4	89%	0.893	77%	0.766	S	S	*	*			trans	54.8	127.3	177.4	-61.2	-14.1	0	0	0	115.7
2330	A	36.2	Very low	32.8	Very low	87 Å²	87	122.2 Å²	122.2	72%	0.719	77%	0.768	S	S	*	*			cis	-137.1	167.5	28.9	0	0	0	0	0	114.4
2331	S	37.1	Very low	32.8	Very low	89 Å²	89	128.3 Å²	128.3	62%	0.622	78%	0.777	S	S	*	*			trans	-26.6	134	156	45.7	0	0	0	0	114.2
2332	N	42.6	Very low	33.3	Very low	163 Å²	163	128.3 Å²	128.3	87%	0.872	78%	0.775	S	S	*	*			cis	-83	118.4	21.8	-57.3	-45.1	0	0	0	112.5
2333	Y	25.2	Very low	33.1	Very low	194 Å²	194	128.2 Å²	128.2	76%	0.761	77%	0.774	S	S	*	*			cis	62.5	123.3	40.8	-129.2	-87.9	0	0	0	114.8
2334	V	29.1	Very low	32.9	Very low	138 Å²	138	128.5 Å²	128.5	84%	0.836	77%	0.772	S	S	*	*	S	Bend	trans	-48	141.5	172.2	175.1	0	0	0	0	112.6
2335	G	28.3	Very low	32.6	Very low	57 Å²	57	126.8 Å²	126.8	59%	0.588	76%	0.759	S	S	*	*			trans	105.1	153.2	179.7	0	0	0	0	0	111.6
2336	V	28.8	Very low	32.5	Very low	142 Å²	142	128 Å²	128	86%	0.861	75%	0.75	S	S	*	*	S	Bend	cis	-145.9	145.8	1.6	-119.2	0	0	0	0	107.1
2337	I	37.9	Very low	32.1	Very low	160 Å²	160	125.5 Å²	125.5	82%	0.821	74%	0.744	S	S	*	*	S	Bend	cis	-138.2	135.7	16.1	-53.1	170.7	0	0	0	110.4
2338	G	40.9	Very low	31.9	Very low	81 Å²	81	123.5 Å²	123.5	84%	0.835	75%	0.747	S	S	*	*			trans	77.5	147.7	157.5	0	0	0	0	0	118.3
2339	G	33.6	Very low	31.5	Very low	80 Å²	80	123.1 Å²	123.1	83%	0.825	74%	0.744	S	S	*	*			cis	168.3	99.8	-9.1	0	0	0	0	0	115.2
2340	G	33	Very low	31.1	Very low	75 Å²	75	121 Å²	121	77%	0.773	74%	0.737	S	S	*	*			trans	64.7	-170	167.1	0	0	0	0	0	116.6
2341	R	30	Very low	30.5	Very low	249 Å²	249	122.4 Å²	122.4	94%	0.94	74%	0.737	S	S	*	*			cis	-166.8	166.3	-38.8	-113.3	-174	-177.2	-154.2	1.6	107.2
2342	P	43	Very low	30	Very low	107 Å²	107	127 Å²	127	70%	0.695	74%	0.74	S	S	*	*			trans	-91.8	157	-166.8	36.4	-36.3	0	0	0	114.4
2343	N	25.6	Very low	29.3	Very low	151 Å²	151	126.5 Å²	126.5	81%	0.807	73%	0.733	S	S	*	*			trans	-177	150.3	135.4	-105.9	1.8	0	0	0	115.8
2344	T	27.9	Very low	29.3	Very low	98 Å²	98	125.3 Å²	125.3	60%	0.601	73%	0.727	S	S	*	*				52.2	116.2	128.7	-48.8	0	0	0	0	123.1
2345	D	25.2	Very low	29.2	Very low	77 Å²	77	121.5 Å²	121.5	41%	0.412	72%	0.715	S	S	.	*			trans	56.2	169	139.8	-57.2	-17.6	0	0	0	123.6	S1152 A1153	S1152-D2345 WeakPolarHBondContact CB-OD1 3.47Å; A1153-D2345 WeakPolarHBondContact CB-OD1 3.38Å
2346	H	27.8	Very low	29.2	Very low	149 Å²	149	124.9 Å²	124.9	69%	0.69	72%	0.72	S	S	*	*			trans	79.3	79.8	160.8	-59.9	-49.9	0	0	0	119.7
2347	S	26.4	Very low	29.1	Very low	83 Å²	83	123.7 Å²	123.7	58%	0.58	71%	0.705	S	S	*	*				44.7	124.6	111.9	66	0	0	0	0	120.2
2348	N	24.2	Very low	28.7	Very low	164 Å²	164	119.1 Å²	119.1	88%	0.877	68%	0.679	S	S	*	*			trans	71.3	177.6	152.1	-155.5	2.5	0	0	0	115
2349	A	24.3	Very low	28.2	Very low	74 Å²	74	119 Å²	119	61%	0.612	66%	0.657	S	S	*	*			trans	65.6	109.3	169.7	0	0	0	0	0	117.1
2350	T	25.8	Very low	28	Very low	124 Å²	124	119.4 Å²	119.4	76%	0.761	64%	0.64	S	S	*	*				55.4	89.8	110.9	-49.7	0	0	0	0	117.5
2351	V	24.8	Very low	27.9	Very low	116 Å²	116	120.9 Å²	120.9	70%	0.703	63%	0.63	S	S	*	*				72.4	163.9	127.6	163.4	0	0	0	0	116.1
2352	R	25.4	Very low	27.9	Very low	184 Å²	184	116 Å²	116	69%	0.694	62%	0.616	S	S	*	*			trans	70.7	129.7	177.1	-74.6	144.8	-160.8	-143.9	1.7	112.1
2353	Q	28.6	Very low	27.9	Very low	153 Å²	153	112.4 Å²	112.4	72%	0.715	59%	0.592	S	S	*	*				57.2	146.7	59.8	-55.1	174.2	-11.8	0	0	110.4
2354	R	24.8	Very low	28.1	Very low	169 Å²	169	110.4 Å²	110.4	64%	0.638	58%	0.578	S	S	*	*			cis	-136.6	133.6	26.5	-86.3	78.5	-164.3	-90.5	-8.2	111.7
2355	G	26.7	Very low	28.7	Very low	58 Å²	58	110.1 Å²	110.1	60%	0.598	58%	0.578	S	S	*	*			trans	65.2	-151.7	144.7	0	0	0	0	0	115.6
2356	L	28.3	Very low	28.7	Very low	129 Å²	129	113 Å²	113	68%	0.675	59%	0.593	S	S	*	*			cis	-114.8	146.4	2	-74.3	173.3	0	0	0	113.3
2357	Q	27.1	Very low	29.1	Very low	117 Å²	117	113.4 Å²	113.4	55%	0.547	60%	0.6	S	S	.	*			trans	41.4	137.9	143.3	-61.3	175.5	-65.7	0	0	119	V1470	V1470-Q2357 HydrophobicContact CG2-CG 4.34Å
2358	H	28.8	Very low	29.8	Very low	63 Å²	63	114.1 Å²	114.1	29%	0.292	60%	0.602	S	S	.	*			cis	-170.8	174.9	2.9	-120.9	-27.2	0	0	0	111.7
2359	H	30.6	Very low	30.2	Very low	79 Å²	79	114.5 Å²	114.5	37%	0.366	60%	0.599	S	S	.	*			trans	63.7	138	149.7	-64.4	-33.9	0	0	0	118.8
2360	N	28.9	Very low	30.7	Very low	88 Å²	88	116.1 Å²	116.1	47%	0.471	61%	0.605	S	S	.	*				65.4	136.4	58.1	-45	2.3	0	0	0	110.5
2361	L	32.3	Very low	31.5	Very low	107 Å²	107	115.7 Å²	115.7	56%	0.56	61%	0.605	S	S	*	*			cis	-105.2	158.5	20.1	-69.1	104.1	0	0	0	112.8
2362	F	30.3	Very low	32	Very low	146 Å²	146	115.1 Å²	115.1	64%	0.64	61%	0.606	S	S	*	*			cis	60.7	170.1	49	-87	-63	0	0	0	112.5	D1491 N1492	D1491-F2362 VanDerWaalsContact CA-O 3.3Å; D1491-F2362 WeakPolarHBondContact CA-O 3.42Å; D1491-F2362 PolarHBondContact N-O 3.13Å; N1492-F2362 PolarHBondContact N-O 2.93Å
2363	P	41.9	Very low	32.5	Very low	31 Å²	31	108.7 Å²	108.7	20%	0.201	59%	0.592	C	S	.	*				-99.2	176.7	-53.7	33	-31.2	0	0	0	111.5	D1491 N1492	D1491-P2363 WeakPolarHBondContact CA-O 3.21Å; D1491-P2363 WeakPolarHBondContact CB-O 3Å; D1491-P2363 WeakPolarHBondContact OD1-CD 3.41Å; D1491-P2363 VanDerWaalsContact OD1-CG 3.26Å; D1491-P2363 WeakPolarHBondContact OD1-CG 3.28Å; N1492-P2363 PolarHBondContact ND2-O 2.67Å; N1492-P2363 PolarHBondContact OD1-O 2.77Å
2364	H	29.7	Very low	33	Very low	110 Å²	110	106.6 Å²	106.6	51%	0.509	58%	0.582	S	S	.	*				166.9	172.8	79.4	-110.8	-31.4	0	0	0	109.6	H1490 D1491 N1492	H1490-H2364 AromaticContact CE1-CD2 3.71Å; H1490-H2364 AromaticContact CE1-NE2 3.84Å; H1490-H2364 AromaticContact ND1-CD2 3.77Å; D1491-H2364 IonicContact OD1-CD2 3.64Å; D1491-H2364 IonicContact OD2-CD2 3.91Å; N1492-H2364 PolarHBondContact ND2-O 3.31Å; N1492-H2364 PolarHBondContact OD1-N 3.48Å
2365	P	40	Very low	33.5	Very low	92 Å²	92	98.5 Å²	98.5	60%	0.597	55%	0.552	S	S	*	*				-133.3	-171.3	-127.8	44.6	-27.7	0	0	0	117
2366	N	26.5	Very low	33.9	Very low	136 Å²	136	98 Å²	98	73%	0.727	53%	0.534	S	S	*	.			trans	79.9	111.7	156.1	-64.5	-18	0	0	0	119.5
2367	L	36.5	Very low	34.3	Very low	159 Å²	159	98.5 Å²	98.5	83%	0.832	53%	0.533	S	S	*	.			trans	72.8	156.6	143.1	-60.6	166.7	0	0	0	117.8
2368	P	39.8	Very low	34.7	Very low	98 Å²	98	96 Å²	96	64%	0.636	53%	0.528	S	S	*	.			cis	-132.1	171.6	-17.4	30.7	-10.1	0	0	0	115.7
2369	Q	34.2	Very low	34.9	Very low	172 Å²	172	103.4 Å²	103.4	80%	0.804	56%	0.56	S	S	*	*			trans	62.2	113.4	143.7	-74.9	169.9	8.8	0	0	123.6
2370	S	34.9	Very low	35.1	Very low	107 Å²	107	107.6 Å²	107.6	75%	0.748	58%	0.58	S	S	*	*				70.1	168	111.9	-54.9	0	0	0	0	122.2
2371	P	41.3	Very low	35.3	Very low	116 Å²	116	110.6 Å²	110.6	75%	0.753	60%	0.595	S	S	*	*				-144.4	173.6	-52.9	43.2	-27.3	0	0	0	117.3
2372	S	34.9	Very low	35.9	Very low	103 Å²	103	110.4 Å²	110.4	72%	0.72	60%	0.6	S	S	*	*			trans	73.5	153.3	139.1	-167	0	0	0	0	123.6
2373	A	36.9	Very low	36	Very low	49 Å²	49	108.8 Å²	108.8	41%	0.405	61%	0.607	S	S	.	*			cis	-171.1	-175.8	-36.9	0	0	0	0	0	114.5	R1401 Q1402	R1401-A2373 WeakPolarHBondContact CD-O 3.22Å; R1401-A2373 WeakPolarHBondContact CG-O 3.21Å; Q1402-A2373 PolarHBondContact NE2-O 2.91Å
2374	Q	37.8	Very low	35.5	Very low	109 Å²	109	111.9 Å²	111.9	51%	0.509	63%	0.63	S	S	.	*			trans	100.3	-176.3	158.6	-53.9	176.9	-11.6	0	0	121.6	R1401	R1401-Q2374 VanDerWaalsContact CA-C 3.45Å; R1401-Q2374 WeakPolarHBondContact CA-O 3.4Å; R1401-Q2374 VanDerWaalsContact CG-O 3.3Å; R1401-Q2374 WeakPolarHBondContact CG-O 3.14Å; R1401-Q2374 PolarHBondContact N-O 3.3Å
2375	G	37.1	Very low	35.8	Very low	0 Å²	0	116.2 Å²	116.2	0%	0	65%	0.647	C	S	.	*			trans	-147.7	-134.1	-169.6	0	0	0	0	0	122	R1400 R1401 Q1402 A1403 V1404	R1400-G2375 CarbonylContact C-O 3.54Å; R1400-G2375 WeakPolarHBondContact CB-O 3.39Å; R1400-G2375 WeakPolarHBondContact CG-O 3.46Å; R1400-G2375 CarbonylContact O-C 3.42Å; R1400-G2375 VanDerWaalsContact O-CA 3.31Å; R1400-G2375 WeakPolarHBondContact O-CA 3.38Å; R1400-G2375 VanDerWaalsContact O-O 3.11Å; R1401-G2375 CarbonylContact C-O 3.01Å; R1401-G2375 VanDerWaalsContact C-O 3.3Å; R1401-G2375 PolarHBondContact N-O 3.19Å; R1401-G2375 VanDerWaalsContact N-O 3.09Å; Q1402-G2375 CarbonylContact C-O 3.48Å; Q1402-G2375 PolarHBondContact N-O 2.65Å; A1403-G2375 PolarHBondContact N-O 3.29Å; A1403-G2375 CarbonylContact O-C 3.06Å; V1404-G2375 WeakPolarHBondContact O-CA 3.32Å; V1404-G2375 PolarHBondContact O-N 2.81Å
2376	Q	34.4	Very low	35.4	Very low	48 Å²	48	119.3 Å²	119.3	22%	0.224	65%	0.648	C	S	.	*			trans	-59.5	-161.7	-148.8	-130.7	-161.1	27.7	0	0	121.9	R1400 A1403 V1405 T1407	R1400-Q2376 WeakPolarHBondContact CD-O 3.34Å; R1400-Q2376 PolarHBondContact NH1-O 2.86Å; A1403-Q2376 PolarHBondContact O-N 3.09Å; V1405-Q2376 HydrophobicContact CB-CB 4.31Å; V1405-Q2376 HydrophobicContact CG1-CB 3.57Å; V1405-Q2376 HydrophobicContact CG1-CG 3.67Å; V1405-Q2376 VanDerWaalsContact N-N 3.1Å; T1407-Q2376 HydrophobicContact CG2-CG 3.74Å; T1407-Q2376 WeakPolarHBondContact OG1-CG 3.2Å
2377	Q	37.4	Very low	35.8	Very low	138 Å²	138	118.2 Å²	118.2	65%	0.645	65%	0.649	S	S	*	*			cis	-127	145.5	28.1	-73.9	-173.9	-14	0	0	119	R1400 T1407	R1400-Q2377 VanDerWaalsContact NH1-N 3.19Å; T1407-Q2377 VanDerWaalsContact OG1-C 3.25Å; T1407-Q2377 PolarHBondContact OG1-N 2.96Å; T1407-Q2377 PolarHBondContact OG1-O 2.79Å
2378	S	35.7	Very low	35.8	Very low	65 Å²	65	114.7 Å²	114.7	46%	0.455	64%	0.637	S	S	.	*			trans	-32.6	166.4	177.1	55.8	0	0	0	0	124.9
2379	F	31.8	Very low	35.8	Very low	218 Å²	218	112.1 Å²	112.1	96%	0.956	62%	0.618	S	S	*	*			trans	-147.8	168.4	146	-101.2	-71.1	0	0	0	112.3
2380	Q	35.2	Very low	35.5	Very low	167 Å²	167	104.6 Å²	104.6	78%	0.78	58%	0.584	S	S	*	*			trans	-151.3	125.9	-164.6	-174.8	177.1	24.2	0	0	115.6
2381	L	33.9	Very low	35.6	Very low	151 Å²	151	104 Å²	104	79%	0.791	58%	0.578	S	S	*	*			trans	64.5	166.6	159.5	-70.1	172.7	0	0	0	119.4
2382	P	43.3	Very low	35.1	Very low	104 Å²	104	101 Å²	101	68%	0.675	56%	0.56	S	S	*	*			cis	-131.7	171.1	-7.2	35	-16.6	0	0	0	117.7
2383	S	32.9	Very low	35.2	Very low	111 Å²	111	103.4 Å²	103.4	78%	0.776	56%	0.559	S	S	*	*			trans	76.9	162.1	158.2	86.1	0	0	0	0	118.7
2384	S	31.8	Very low	35.4	Very low	97 Å²	97	109 Å²	109	68%	0.678	58%	0.577	S	S	*	*			cis	-170.7	171.5	-29.1	55.2	0	0	0	0	113.1
2385	F	35.8	Very low	35.2	Very low	201 Å²	201	114.7 Å²	114.7	88%	0.882	59%	0.594	S	S	*	*			trans	67.8	131.8	168.6	-83.5	-77.4	0	0	0	121.7
2386	Y	30.7	Very low	35.3	Very low	156 Å²	156	117.8 Å²	117.8	61%	0.612	61%	0.612	S	S	*	*			trans	-163.6	137.9	161.3	-139	-73.7	0	0	0	111.1	D1417	D1417-Y2386 PolarHBondContact OD1-OH 2.75Å; D1417-Y2386 PolarHBondContact OD2-OH 3.08Å
2387	P	35.2	Very low	35.3	Very low	114 Å²	114	119 Å²	119	74%	0.74	63%	0.626	S	S	*	*			trans	-86.5	174.9	172.3	34.3	-34.8	0	0	0	113.6
2388	S	36.9	Very low	35	Very low	85 Å²	85	115.5 Å²	115.5	59%	0.594	61%	0.612	S	S	*	*			trans	-86.7	132.8	-158.7	51.1	0	0	0	0	116.9
2389	I	38.9	Very low	35.2	Very low	43 Å²	43	115 Å²	115	22%	0.221	60%	0.602	C	S	.	*			trans	-148.5	-115.8	162.6	-105.7	-90.1	0	0	0	113.2	R1299 W1419 E1420	R1299-I2389 VanDerWaalsContact CZ-O 3.31Å; R1299-I2389 PolarHBondContact NH1-O 3.22Å; R1299-I2389 PolarHBondContact NH2-O 3.01Å; W1419-I2389 HydrophobicContact CD2-CG2 3.72Å; W1419-I2389 HydrophobicContact CE3-CD1 4.05Å; W1419-I2389 HydrophobicContact CE3-CG1 4.18Å; W1419-I2389 HydrophobicContact CE3-CG2 3.91Å; W1419-I2389 HydrophobicContact CG-CG2 4.34Å; W1419-I2389 HydrophobicContact CH2-CB 4Å; W1419-I2389 HydrophobicContact CH2-CD1 4.26Å; W1419-I2389 HydrophobicContact CH2-CG1 3.57Å; W1419-I2389 HydrophobicContact CH2-CG2 4.03Å; W1419-I2389 HydrophobicContact CZ2-CB 4.07Å; W1419-I2389 HydrophobicContact CZ2-CG1 4.18Å; W1419-I2389 HydrophobicContact CZ2-CG2 3.81Å; W1419-I2389 HydrophobicContact CZ3-CB 4.26Å; W1419-I2389 HydrophobicContact CZ3-CD1 3.71Å; W1419-I2389 HydrophobicContact CZ3-CG1 3.56Å; W1419-I2389 HydrophobicContact CZ3-CG2 4.07Å; E1420-I2389 WeakPolarHBondContact O-CD1 3.43Å
2390	S	29.6	Very low	35.3	Very low	14 Å²	14	108.8 Å²	108.8	10%	0.098	58%	0.576	C	S	.	*			trans	-134.5	-114.1	-142.9	-57.6	0	0	0	0	117.5	R1298 E1420 T1421 A1422	R1298-S2390 PolarHBondContact NH1-O 3.33Å; E1420-S2390 VanDerWaalsContact C-OG 3.26Å; E1420-S2390 WeakPolarHBondContact O-CB 3.03Å; E1420-S2390 PolarHBondContact O-OG 2.83Å; T1421-S2390 VanDerWaalsContact C-OG 3.26Å; T1421-S2390 WeakPolarHBondContact CA-OG 3.32Å; T1421-S2390 PolarHBondContact N-OG 3.21Å; A1422-S2390 VanDerWaalsContact C-CA 3.46Å; A1422-S2390 VanDerWaalsContact C-CB 3.47Å; A1422-S2390 VanDerWaalsContact N-CB 3.29Å; A1422-S2390 PolarHBondContact N-OG 2.93Å; A1422-S2390 VanDerWaalsContact N-OG 3.12Å; A1422-S2390 CarbonylContact O-C 3.26Å; A1422-S2390 WeakPolarHBondContact O-CA 3.37Å; A1422-S2390 WeakPolarHBondContact O-CB 3.21Å
2391	P	36.9	Very low	35.2	Very low	95 Å²	95	107 Å²	107	62%	0.617	57%	0.566	S	S	*	*			cis	-121.3	167.7	-20.8	41.9	-27.1	0	0	0	116.2	E1420 A1422	E1420-P2391 HydrophobicContact CB-CB 4.17Å; A1422-P2391 CarbonylContact O-C 3Å; A1422-P2391 WeakPolarHBondContact O-CA 3.06Å
2392	S	29.1	Very low	35.2	Very low	54 Å²	54	103.5 Å²	103.5	38%	0.378	57%	0.566	S	S	.	*			trans	-127.8	148.1	150.2	74.3	0	0	0	0	108.4	E1420	E1420-S2392 WeakPolarHBondContact CB-O 3.33Å; E1420-S2392 WeakPolarHBondContact CG-O 3.1Å; E1420-S2392 WeakPolarHBondContact OE2-CB 3.26Å; E1420-S2392 PolarHBondContact OE2-N 3.39Å; E1420-S2392 PolarHBondContact OE2-OG 2.97Å
2393	H	38.2	Very low	34.7	Very low	153 Å²	153	101.8 Å²	101.8	71%	0.708	57%	0.568	S	S	*	*			cis	-147	146.6	32.1	-118.6	-94.3	0	0	0	111.3
2394	Q	41.9	Very low	34.8	Very low	165 Å²	165	103 Å²	103	77%	0.771	57%	0.57	S	S	*	*			trans	62.3	136.7	154.9	-74.8	176.1	-13.6	0	0	121.6
2395	R	33.2	Very low	34.8	Very low	229 Å²	229	103.9 Å²	103.9	86%	0.864	58%	0.576	S	S	*	*			trans	9.8	140.7	139.5	-56.4	-179.2	171.2	-134.1	-1.1	117.5
2396	V	38	Very low	35.1	Very low	65 Å²	65	106.1 Å²	106.1	39%	0.394	58%	0.579	S	S	.	*			cis	-138.1	152.5	38.7	-169.8	0	0	0	0	112.4	S1541 T1542	S1541-V2396 WeakPolarHBondContact CB-O 3.45Å; T1542-V2396 WeakPolarHBondContact O-CB 2.96Å; T1542-V2396 WeakPolarHBondContact O-CG1 3.45Å; T1542-V2396 WeakPolarHBondContact O-CG2 3.31Å
2397	S	33.9	Very low	35	Very low	74 Å²	74	103.1 Å²	103.1	52%	0.517	59%	0.587	S	S	.	*			trans	-49.5	159.6	164.8	47.6	0	0	0	0	113.2	S1540 S1541	S1540-S2397 CarbonylContact C-O 3.58Å; S1540-S2397 CarbonylContact O-C 3.27Å; S1540-S2397 VanDerWaalsContact O-C 3.31Å; S1540-S2397 PolarHBondContact OG-O 2.97Å; S1541-S2397 WeakPolarHBondContact CA-O 3.43Å; S1541-S2397 PolarHBondContact N-O 3.32Å
2398	L	32.7	Very low	34.8	Very low	64 Å²	64	101.4 Å²	101.4	34%	0.335	58%	0.582	S	S	.	*			cis	-141.2	-173.6	37.2	-84.4	87.2	0	0	0	113.3	N1073 N1076 S1540	N1073-L2398 HydrophobicContact CB-CB 3.8Å; N1073-L2398 HydrophobicContact CB-CD2 3.91Å; N1073-L2398 HydrophobicContact CB-CG 4.34Å; N1073-L2398 CarbonylContact O-C 3.46Å; N1073-L2398 WeakPolarHBondContact O-CA 3.34Å; N1073-L2398 WeakPolarHBondContact O-CB 3.34Å; N1076-L2398 PolarHBondContact ND2-O 3.35Å; N1076-L2398 VanDerWaalsContact ND2-O 3.17Å; S1540-L2398 PolarHBondContact O-N 2.84Å
2399	Q	38.6	Very low	34.9	Very low	55 Å²	55	105 Å²	105	26%	0.257	59%	0.593	S	S	.	*			trans	13.6	132	166.9	-99.8	88.4	-33.2	0	0	126.3	Y1071 K1072 N1073	Y1071-Q2399 PolarHBondContact O-NE2 3.44Å; K1072-Q2399 WeakPolarHBondContact O-CB 3.35Å; K1072-Q2399 VanDerWaalsContact O-CG 3.25Å; K1072-Q2399 WeakPolarHBondContact O-CG 3.45Å; K1072-Q2399 PolarHBondContact O-NE2 2.79Å; K1072-Q2399 PolarHBondContact O-OE1 2.82Å; N1073-Q2399 WeakPolarHBondContact O-CB 3.43Å; N1073-Q2399 PolarHBondContact O-N 3.13Å
2400	Q	34.3	Very low	34.6	Very low	87 Å²	87	108.2 Å²	108.2	41%	0.407	61%	0.614	S	S	.	*				52.1	128.7	123	-79.5	170	-21.5	0	0	120.6	Y1071 T1398	Y1071-Q2400 PolarHBondContact O-OE1 3.49Å; Y1071-Q2400 VanDerWaalsContact O-OE1 3.12Å; T1398-Q2400 PolarHBondContact OG1-NE2 3.29Å; T1398-Q2400 PolarHBondContact OG1-OE1 3.26Å
2401	F	32.5	Very low	34.9	Very low	131 Å²	131	111.3 Å²	111.3	58%	0.575	65%	0.649	S	S	*	*	S	Bend	cis	-130.7	148.2	5.3	-88.1	-107.8	0	0	0	109.6
2402	G	34.7	Very low	34.8	Very low	77 Å²	77	111.6 Å²	111.6	79%	0.794	65%	0.65	S	S	*	*			cis	175.1	136	-4.1	0	0	0	0	0	111.4
2403	G	33.6	Very low	35	Very low	68 Å²	68	117 Å²	117	70%	0.701	67%	0.673	S	S	*	*			trans	-174	-173.7	-177.9	0	0	0	0	0	114.4
2404	T	34.9	Very low	34.8	Very low	136 Å²	136	116.4 Å²	116.4	83%	0.834	68%	0.675	S	S	*	*			trans	62.8	119.4	172.4	57.5	0	0	0	0	119.9
2405	S	31.9	Very low	34.9	Very low	115 Å²	115	112.6 Å²	112.6	80%	0.804	67%	0.665	S	S	*	*				69.9	138.1	127.3	-55.8	0	0	0	0	122.7
2406	R	40.3	Very low	35	Very low	249 Å²	249	106.1 Å²	106.1	94%	0.94	65%	0.645	S	S	*	*			trans	-50.5	139.2	159.1	-74.2	173.4	164.2	175.6	-3.7	111.8
2407	A	29.7	Very low	34.9	Very low	93 Å²	93	104 Å²	104	77%	0.769	63%	0.631	S	S	*	*			trans	-163.6	153.4	134.1	0	0	0	0	0	110.9
2408	A	30.3	Very low	35	Very low	78 Å²	78	101 Å²	101	65%	0.645	61%	0.612	S	S	*	*			trans	63.8	161.9	166.9	0	0	0	0	0	116	T2410	A2408-T2410 HydrophobicContact CB-CG2 4.48Å
2409	I	40.5	Very low	35.2	Very low	160 Å²	160	102.9 Å²	102.9	82%	0.821	62%	0.622	S	S	*	*			cis	-115.8	120.3	2.5	-63.1	165.8	0	0	0	107.1
2410	T	32.3	Very low	35.2	Very low	110 Å²	110	111 Å²	111	68%	0.675	65%	0.652	S	S	*	*			cis	59.2	58.2	48.3	74.6	0	0	0	0	114.9	A2408 P2412	A2408-T2410 HydrophobicContact CB-CG2 4.48Å; T2410-P2412 VanDerWaalsContact C-CD 3.49Å; T2410-P2412 WeakPolarHBondContact O-CD 3.23Å
2411	G	34.8	Very low	35.5	Very low	79 Å²	79	109.9 Å²	109.9	81%	0.814	66%	0.664	S	S	*	*			trans	-95.2	98.8	152.4	0	0	0	0	0	111.1
2412	P	35.2	Very low	36.2	Very low	101 Å²	101	110 Å²	110	66%	0.656	68%	0.678	S	S	*	*			trans	-100.5	-174.8	170.1	40.5	-36.1	0	0	0	111.7	T2410	T2410-P2412 VanDerWaalsContact C-CD 3.49Å; T2410-P2412 WeakPolarHBondContact O-CD 3.23Å
2413	I	32.6	Very low	36	Very low	168 Å²	168	109.8 Å²	109.8	86%	0.862	67%	0.669	S	S	*	*			trans	82.6	158.8	166.2	-57.7	164.5	0	0	0	114.8
2414	N	34.2	Very low	36.5	Very low	140 Å²	140	116.2 Å²	116.2	75%	0.749	68%	0.678	S	S	*	*			trans	-167.1	176.7	-155.9	-179.2	54.9	0	0	0	107
2415	P	45.4	Very low	36.5	Very low	86 Å²	86	113.3 Å²	113.3	56%	0.558	67%	0.674	S	S	*	*				-95.9	177	-69.6	38.5	-26	0	0	0	112.2
2416	Q	34	Very low	36.7	Very low	93 Å²	93	112 Å²	112	44%	0.435	68%	0.679	S	S	.	*			trans	-175.2	173.7	138.2	-107.8	-174.6	-34.5	0	0	113.2	D1460 S2428	D1460-Q2416 PolarHBondContact O-NE2 2.85Å; D1460-Q2416 PolarHBondContact O-OE1 3.38Å; Q2416-S2428 PolarHBondContact O-OG 2.75Å; Q2416-S2428 VanDerWaalsContact O-OG 3.11Å
2417	N	35.6	Very low	36.6	Very low	19 Å²	19	103 Å²	103	10%	0.102	66%	0.658	C	S	.	*			trans	-144.9	153.5	-151.6	-56.5	51.6	0	0	0	113.9	H1456 N1459 S2428 H2429 P2430	H1456-N2417 PolarHBondContact O-ND2 3.2Å; N1459-N2417 VanDerWaalsContact CA-O 3.24Å; N1459-N2417 WeakPolarHBondContact CA-O 3.18Å; N1459-N2417 PolarHBondContact N-O 3.29Å; N2417-S2428 VanDerWaalsContact CA-O 3.24Å; N2417-S2428 WeakPolarHBondContact CA-O 3.05Å; N2417-S2428 WeakPolarHBondContact CB-O 3.41Å; N2417-S2428 PolarHBondContact ND2-O 3.06Å; N2417-S2428 PolarHBondContact OD1-O 3.37Å; N2417-H2429 VanDerWaalsContact ND2-C 3.31Å; N2417-H2429 PolarHBondContact ND2-O 2.63Å; N2417-P2430 HydrophobicContact CB-CB 3.5Å; N2417-P2430 VanDerWaalsContact CB-CB 3.5Å; N2417-P2430 HydrophobicContact CB-CG 3.57Å
2418	G	37.9	Very low	36.7	Very low	12 Å²	12	102.4 Å²	102.4	12%	0.124	65%	0.648	C	S	.	*			trans	-145.9	140.1	173.6	0	0	0	0	0	118.3	N1459 H2429 P2430	N1459-G2418 WeakPolarHBondContact OD1-CA 3.2Å; G2418-H2429 VanDerWaalsContact C-ND1 3.34Å; G2418-H2429 VanDerWaalsContact CA-ND1 3.33Å; G2418-H2429 WeakPolarHBondContact CA-ND1 3.24Å; G2418-H2429 PolarHBondContact N-CD2 2.86Å; G2418-H2429 PolarHBondContact N-CE1 3.39Å; G2418-H2429 PolarHBondContact N-ND1 3.25Å; G2418-H2429 PolarHBondContact N-NE2 2.9Å; G2418-H2429 WeakPolarHBondContact O-CB 3.38Å; G2418-H2429 PolarHBondContact O-ND1 2.61Å; G2418-P2430 VanDerWaalsContact N-CD 3.26Å; G2418-P2430 WeakPolarHBondContact O-CD 3.15Å
2419	L	36	Very low	36.8	Very low	103 Å²	103	102.2 Å²	102.2	54%	0.539	63%	0.634	S	S	.	*			trans	-71.7	178.4	-173.5	-109.6	172.6	0	0	0	117.7	N1459 P2431	N1459-L2419 PolarHBondContact OD1-N 3.27Å; L2419-P2431 HydrophobicContact CD1-CG 3.87Å; L2419-P2431 HydrophobicContact CG-CG 4.22Å
2420	Y	38.9	Very low	37.1	Very low	225 Å²	225	95 Å²	95	88%	0.882	60%	0.597	S	S	*	*			trans	78	148.4	179.4	-62	-95.2	0	0	0	117.8
2421	G	40.4	Very low	37	Very low	65 Å²	65	91 Å²	91	67%	0.67	57%	0.573	S	S	*	*			trans	-123.4	-179.8	161	0	0	0	0	0	109.8
2422	P	47.3	Very low	37.1	Very low	133 Å²	133	91.8 Å²	91.8	86%	0.864	56%	0.559	S	S	*	*			cis	-97.7	-164.3	4.6	43.8	-37.7	0	0	0	110.7
2423	A	30	Very low	36.9	Very low	73 Å²	73	93.5 Å²	93.5	60%	0.603	56%	0.558	S	S	*	*	S	Bend	cis	-138.2	155.1	-0.7	0	0	0	0	0	109.7	G2425	A2423-G2425 PolarHBondContact O-N 3.36Å
2424	F	45.2	Very low	37.1	Very low	203 Å²	203	89.3 Å²	89.3	89%	0.89	55%	0.548	S	S	*	.	S	Bend	trans	47.8	56.2	-178	-66.2	-83.5	0	0	0	113.1	G2426	F2424-G2426 PolarHBondContact O-N 3.07Å
2425	G	34.5	Very low	36.9	Very low	74 Å²	74	88.9 Å²	88.9	76%	0.763	55%	0.551	S	S	*	*			trans	-69.4	83.7	-162.5	0	0	0	0	0	116.6	A2423 A2427	A2423-G2425 PolarHBondContact O-N 3.36Å; G2425-A2427 VanDerWaalsContact C-N 3.31Å; G2425-A2427 PolarHBondContact O-N 3.09Å; G2425-A2427 VanDerWaalsContact O-N 3.12Å
2426	G	35.6	Very low	36.7	Very low	87 Å²	87	88.7 Å²	88.7	90%	0.897	55%	0.55	S	S	*	.			trans	-75.1	78.1	156.1	0	0	0	0	0	111.3	F2424	F2424-G2426 PolarHBondContact O-N 3.07Å
2427	A	37.9	Very low	36.9	Very low	60 Å²	60	88.3 Å²	88.3	50%	0.496	56%	0.555	S	S	.	*			trans	-142.8	124.2	-179.5	0	0	0	0	0	112.5	G2425 H2429	G2425-A2427 VanDerWaalsContact C-N 3.31Å; G2425-A2427 PolarHBondContact O-N 3.09Å; G2425-A2427 VanDerWaalsContact O-N 3.12Å; A2427-H2429 HydrophobicContact CB-CB 3.81Å; A2427-H2429 PolarHBondContact O-N 3.4Å
2428	S	32.4	Very low	37.1	Very low	82 Å²	82	93 Å²	93	57%	0.573	59%	0.587	S	S	*	*			trans	-76.2	59	175.6	55.8	0	0	0	0	111.3	Q2416 N2417	Q2416-S2428 PolarHBondContact O-OG 2.75Å; Q2416-S2428 VanDerWaalsContact O-OG 3.11Å; N2417-S2428 VanDerWaalsContact CA-O 3.24Å; N2417-S2428 WeakPolarHBondContact CA-O 3.05Å; N2417-S2428 WeakPolarHBondContact CB-O 3.41Å; N2417-S2428 PolarHBondContact ND2-O 3.06Å; N2417-S2428 PolarHBondContact OD1-O 3.37Å
2429	H	31.2	Very low	37	Very low	74 Å²	74	96.5 Å²	96.5	34%	0.343	60%	0.602	S	S	.	*			trans	-118.5	174.3	-153.7	-86.6	-143.2	0	0	0	113.6	S1455 H1456 N2417 G2418 A2427	S1455-H2429 WeakPolarHBondContact CB-O 3.26Å; H1456-H2429 PolarHBondContact N-O 3.2Å; N2417-H2429 VanDerWaalsContact ND2-C 3.31Å; N2417-H2429 PolarHBondContact ND2-O 2.63Å; G2418-H2429 VanDerWaalsContact C-ND1 3.34Å; G2418-H2429 VanDerWaalsContact CA-ND1 3.33Å; G2418-H2429 WeakPolarHBondContact CA-ND1 3.24Å; G2418-H2429 PolarHBondContact N-CD2 2.86Å; G2418-H2429 PolarHBondContact N-CE1 3.39Å; G2418-H2429 PolarHBondContact N-ND1 3.25Å; G2418-H2429 PolarHBondContact N-NE2 2.9Å; G2418-H2429 WeakPolarHBondContact O-CB 3.38Å; G2418-H2429 PolarHBondContact O-ND1 2.61Å; A2427-H2429 HydrophobicContact CB-CB 3.81Å; A2427-H2429 PolarHBondContact O-N 3.4Å
2430	P	48.4	Very low	37	Very low	7 Å²	7	92.7 Å²	92.7	5%	0.045	59%	0.588	C	S	.	*			trans	-130.5	-169	-149.6	42.2	-25.5	0	0	0	116.5	H1456 K1458 N1459 N2417 G2418	H1456-P2430 VanDerWaalsContact O-CA 3.3Å; H1456-P2430 WeakPolarHBondContact O-CA 3.34Å; K1458-P2430 VanDerWaalsContact CA-CB 3.43Å; N1459-P2430 HydrophobicContact CB-CB 4.14Å; N1459-P2430 HydrophobicContact CB-CG 3.76Å; N1459-P2430 WeakPolarHBondContact OD1-CG 3.48Å; N2417-P2430 HydrophobicContact CB-CB 3.5Å; N2417-P2430 VanDerWaalsContact CB-CB 3.5Å; N2417-P2430 HydrophobicContact CB-CG 3.57Å; G2418-P2430 VanDerWaalsContact N-CD 3.26Å; G2418-P2430 WeakPolarHBondContact O-CD 3.15Å
2431	P	29.8	Very low	36.7	Very low	27 Å²	27	86.7 Å²	86.7	18%	0.175	57%	0.568	C	S	.	*			cis	-125.3	-175.5	7	41.5	-20.6	0	0	0	113.2	H1456 K1458 L2419	H1456-P2431 PolarHBondContact CE1-O 3.5Å; H1456-P2431 PolarHBondContact ND1-O 3.12Å; H1456-P2431 VanDerWaalsContact ND1-O 3.09Å; H1456-P2431 PolarHBondContact NE2-O 3.41Å; K1458-P2431 HydrophobicContact CG-CB 3.55Å; L2419-P2431 HydrophobicContact CD1-CG 3.87Å; L2419-P2431 HydrophobicContact CG-CG 4.22Å
2432	N	36.5	Very low	36.1	Very low	96 Å²	96	91.2 Å²	91.2	51%	0.513	57%	0.571	S	S	.	*			cis	-151.7	134.9	44.9	-94.6	-45.5	0	0	0	116.3	K1458	K1458-N2432 PolarHBondContact NZ-OD1 2.98Å
2433	Q	30.5	Very low	35.2	Very low	137 Å²	137	91.7 Å²	91.7	64%	0.64	57%	0.566	S	S	*	*			trans	-69.1	120	137.2	-53.8	155.5	-7.7	0	0	108.7	K1458	K1458-Q2433 HydrophobicContact CB-CG 4.13Å; K1458-Q2433 HydrophobicContact CD-CB 3.75Å; K1458-Q2433 HydrophobicContact CD-CG 3.67Å; K1458-Q2433 HydrophobicContact CG-CG 4.31Å; K1458-Q2433 PolarHBondContact NZ-O 3Å
2434	A	38	Very low	35.7	Very low	79 Å²	79	94.7 Å²	94.7	65%	0.653	57%	0.572	S	S	*	*			trans	-160.8	110.7	133.1	0	0	0	0	0	104.5
2435	T	30	Very low	35.8	Very low	131 Å²	131	89 Å²	89	80%	0.804	56%	0.555	S	S	*	*				67.2	124.3	94.5	-53.3	0	0	0	0	112.1
2436	P	40.4	Very low	35.8	Very low	82 Å²	82	90.7 Å²	90.7	53%	0.532	55%	0.546	S	S	.	.			cis	-124.9	-163.1	-6.6	42.3	-25.4	0	0	0	111.6	I2446	P2436-I2446 WeakPolarHBondContact CG-O 3.25Å
2437	P	38.1	Very low	35.8	Very low	85 Å²	85	88.4 Å²	88.4	55%	0.552	52%	0.522	S	S	*	.			cis	-126.7	-173.5	-12.1	37.5	-19.3	0	0	0	114.3
2438	P	40.6	Very low	35.8	Very low	117 Å²	117	93 Å²	93	76%	0.76	53%	0.531	S	S	*	.			trans	-70.3	-144.9	154.7	-13.4	32.1	0	0	0	110.9
2439	I	34.8	Very low	36	Very low	86 Å²	86	98.8 Å²	98.8	44%	0.441	54%	0.542	S	S	.	.			cis	-137.1	155.5	13.7	-58.9	163.5	0	0	0	105.9	P387 H2441 Q2442	P387-I2439 WeakPolarHBondContact CD-O 3.23Å; I2439-H2441 VanDerWaalsContact CG2-O 3.31Å; I2439-H2441 WeakPolarHBondContact CG2-O 3.24Å; I2439-Q2442 WeakPolarHBondContact CG2-O 3.14Å
2440	G	36.3	Very low	36.2	Very low	24 Å²	24	100.3 Å²	100.3	25%	0.247	56%	0.561	C	S	.	*	S	Bend		57.1	177.2	76.8	0	0	0	0	0	115
2441	H	32	Very low	35.8	Very low	99 Å²	99	106.6 Å²	106.6	46%	0.458	59%	0.594	S	S	.	*	S	Bend	trans	-65.9	153.3	155.6	-55.6	146.9	0	0	0	107.7	G388 V389 I2439	G388-H2441 PolarHBondContact N-CD2 3.12Å; G388-H2441 VanDerWaalsContact N-N 3.18Å; V389-H2441 HydrophobicContact CB-CB 3.87Å; V389-H2441 HydrophobicContact CG2-CB 4.28Å; V389-H2441 PolarHBondContact N-CE1 3.27Å; V389-H2441 VanDerWaalsContact N-CG 3.32Å; V389-H2441 PolarHBondContact N-ND1 2.92Å; V389-H2441 VanDerWaalsContact N-ND1 3.17Å; V389-H2441 PolarHBondContact N-NE2 3.47Å; V389-H2441 PolarHBondContact O-CE1 2.76Å; V389-H2441 PolarHBondContact O-ND1 2.8Å; I2439-H2441 VanDerWaalsContact CG2-O 3.31Å; I2439-H2441 WeakPolarHBondContact CG2-O 3.24Å
2442	Q	27.8	Very low	36.3	Very low	159 Å²	159	112.9 Å²	112.9	74%	0.743	62%	0.621	S	S	*	*	S	Bend	trans	55.3	103.6	168.4	-67	179.2	-9.3	0	0	113.7	I2439	I2439-Q2442 WeakPolarHBondContact CG2-O 3.14Å
2443	L	29.7	Very low	36.4	Very low	143 Å²	143	116.5 Å²	116.5	75%	0.749	63%	0.632	S	S	*	*			cis	-166.9	-161	23.8	-94.5	156.5	0	0	0	106.6
2444	N	40.7	Very low	36.7	Very low	137 Å²	137	116.7 Å²	116.7	73%	0.733	63%	0.633	S	S	*	*				-34.1	175.8	124.8	-89.2	-12.6	0	0	0	114.3
2445	P	45.8	Very low	36.4	Very low	84 Å²	84	122.7 Å²	122.7	55%	0.545	64%	0.64	S	S	.	*			cis	-132.8	-121.5	-43.4	36.8	-17.2	0	0	0	108.2
2446	I	35.5	Very low	37.1	Very low	109 Å²	109	121 Å²	121	56%	0.559	63%	0.632	S	S	*	*			trans	72.2	131.6	168.8	-56.3	154	0	0	0	114.3	P2436 F2448	P2436-I2446 WeakPolarHBondContact CG-O 3.25Å; I2446-F2448 HydrophobicContact CG2-CD1 4.48Å; I2446-F2448 HydrophobicContact CG2-CD2 4.12Å; I2446-F2448 HydrophobicContact CG2-CE1 4.22Å; I2446-F2448 HydrophobicContact CG2-CE2 3.83Å; I2446-F2448 HydrophobicContact CG2-CG 4.44Å; I2446-F2448 HydrophobicContact CG2-CZ 3.9Å
2447	G	36.3	Very low	36.9	Very low	39 Å²	39	122.1 Å²	122.1	40%	0.402	64%	0.642	S	S	.	*			cis	130.8	-173.6	5.1	0	0	0	0	0	111.5
2448	F	37.3	Very low	36.7	Very low	157 Å²	157	129.6 Å²	129.6	69%	0.689	66%	0.659	S	S	*	*			trans	75	127.2	-175	-48.6	-44.9	0	0	0	115.1	I2446	I2446-F2448 HydrophobicContact CG2-CD1 4.48Å; I2446-F2448 HydrophobicContact CG2-CD2 4.12Å; I2446-F2448 HydrophobicContact CG2-CE1 4.22Å; I2446-F2448 HydrophobicContact CG2-CE2 3.83Å; I2446-F2448 HydrophobicContact CG2-CG 4.44Å; I2446-F2448 HydrophobicContact CG2-CZ 3.9Å
2449	Y	36	Very low	36.9	Very low	203 Å²	203	129.3 Å²	129.3	80%	0.796	66%	0.657	S	S	*	*			cis	-145.4	137.6	-24.4	-81	-75.6	0	0	0	103.9
2450	S	35.8	Very low	37	Very low	106 Å²	106	133.6 Å²	133.6	74%	0.741	68%	0.681	S	S	*	*				-135.5	153.9	60.3	54.4	0	0	0	0	111.8
2451	N	40.5	Very low	37	Very low	139 Å²	139	136.1 Å²	136.1	74%	0.743	71%	0.706	S	S	*	*				43.3	109.9	82.5	-87.9	-3.2	0	0	0	114.5
2452	Q	38.7	Very low	37.4	Very low	158 Å²	158	139.9 Å²	139.9	74%	0.738	73%	0.729	S	S	*	*			trans	20.5	119	153	-53.7	176	-29.8	0	0	119
2453	F	38.9	Very low	37.6	Very low	172 Å²	172	144.4 Å²	144.4	75%	0.754	75%	0.75	S	S	*	*				174.7	154.4	94	-102.1	-73.9	0	0	0	113.9
2454	Q	36.6	Very low	38	Very low	141 Å²	141	144.5 Å²	144.5	66%	0.659	75%	0.75	S	S	*	*			trans	25.3	112.1	150.1	-115.8	63.2	2.3	0	0	123.3
2455	Y	33.2	Very low	37.8	Very low	205 Å²	205	144.9 Å²	144.9	80%	0.804	75%	0.751	S	S	*	*				56.5	-172.8	129.7	-78.1	-102.6	0	0	0	118
2456	P	44.3	Very low	37.4	Very low	96 Å²	96	148.3 Å²	148.3	62%	0.623	76%	0.762	S	S	*	*				-139.6	-175.2	-80.7	45	-27.8	0	0	0	116.8
2457	S	36.3	Very low	37.5	Very low	105 Å²	105	150.6 Å²	150.6	73%	0.734	77%	0.774	S	S	*	*			trans	75	113.7	143.8	-66.5	0	0	0	0	122.6
2458	R	34.1	Very low	37.6	Very low	243 Å²	243	157.6 Å²	157.6	92%	0.917	80%	0.797	S	S	*	*			trans	74.6	157.3	138.4	-82.4	-171.3	170.9	-175.5	-2.6	120.4
2459	P	45.2	Very low	37.6	Very low	110 Å²	110	157.6 Å²	157.6	71%	0.714	81%	0.805	S	S	*	*			trans	-106.4	161.1	-173.5	41	-33.3	0	0	0	113.6
2460	D	36.4	Very low	37.7	Very low	177 Å²	177	154.4 Å²	154.4	95%	0.947	81%	0.805	S	S	*	*			trans	-166	161.3	137.7	-101.8	-35	0	0	0	109
2461	G	36	Very low	37.9	Very low	76 Å²	76	158.1 Å²	158.1	78%	0.784	81%	0.81	S	S	*	*			trans	137.2	86.7	176.8	0	0	0	0	0	114.4
2462	L	40.9	Very low	37.7	Very low	179 Å²	179	159.7 Å²	159.7	94%	0.937	82%	0.816	S	S	*	*			trans	-74.3	131.4	171.7	-77.3	154.2	0	0	0	111.4
2463	H	31.3	Very low	37.6	Very low	254 Å²	254	159.8 Å²	159.8	100%	1.176	82%	0.823	S	S	*	*			trans	-155.8	0	135	-139.2	-48.8	0	0	0	113.2

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