A0A3Q0KLX0_SCHMA Loading...

histone acetyltransferase AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A3Q0KLX0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 3,248 aa.

						>A0A3Q0KLX0_SCHMA|A0A3Q0KLX0
MNTRKRSCFSPRYGDIRCTELDQGHSSNIESLSPVPVVYSPKFENEPLLRSHDNVNTPMNSSPTEYTGVCQGSGQRTLRQRTASGTPSESSHGAEAKLSSVSVKSRGLLNRRLRRPSKVIPICGLCLGTSELNNKTNSAEEMIACWECGQSGHPTCLKMPPDLVKRITSIRWLCVDCKRCCLCQSNSEDQNPSPDKEDPQSDLLLCDVCDRGFHLKCAEPNMLEPPEGMWTCPICSQSGTECLNMDPRLRSIQVCDQLTQHEIDWMKKAANVSGAYLTAPLSFSFQQSPEPIIEHNEALQSSRPSFLITSTSEVKQPVPLESSQIGNNLTTICKPSKRLIQKSLTDWTLGSKSNRKSTNSIQAPLQTENTINQLSTENEMTKVESPPKRVSRLRRSSLCASLAWQGLLRSCDRSKPLQNRSFETHSRKSMDGDDDNDDKTDVLIDQSTTSSCKVFNKLSKNETKIKKYFKRTLSSRSTENFVRSKAKQNKTSPLGELKSIHATSGGTSTGLFNRETLRVASEKLNENQVKRRHVSGRSDQLSNSCKMNSTSKTTRHPLKHRLSKLTNDDNSNCLTLSNSYNHISQSHHRLRRQTMPTSINSKFNLNHSNRRRRLNKYKRSYYYRNKRKPFRREIISDEEDYNDSVYEADADDDGDDDDDNDSNENIAEGKRSNDLLTGKRLTTKVNPVGDGSTVVLSTSNNNATYFDSENDEAPEMSTISDENRALFHSIQADVQACLPQPLESSLSLPPANNPRVLAAMDNSSLNLSSNQLMMPRDSNENDAHHQRQQLEKIEEARYPPQIQLGRYVITTWYSAPYPSEYARLTLLYICEFCLKYIKTRNVYLRHIEKCPYSFPPGNEIYRCNNISVFEVDGYTSRLYCQQLCLLAKLFLDHKTLYYDVEPFLFYVVTIHNNITDEQQSNEKSNHHNDTTDNDNNERCFHLVGYFSKEKRSIQKYNLSCILVLPPYQKQAYGRFLIDFSFLLSRIEGQPGSPEKPLSQLGNLSYQSYWRSKVLPFLLCSMKDCKLLNSTMPNCETDSDCLANPVGSIGFRDFVITIHEISSTTGIDPHDVASTIQQLATTITLSTDGRPVICFDLKHLLQLQEKYEERSVNWIPIDEECLRWSPLIHPQELDISADSSGGGCDNSNSQIIHQNSCIIPSKNGISPTVRKINRFSPQNHKTQSQADKVLINRENNFVKSLETAPRKRSLRSTCNNRNLSNISTVNTDDNSANQSLSNRISNNVIDNGTDINFRQRLRSPPSSTHSLDKNNEQISPLTTPSESIFTYQSSSRQKHDTLVNTTRHGSTNVKSINCSPINLTDKPLHNSRKKVSKTKPYPSPCRKRSFCSDGPRPPDPPSPPPPGGGGGFTSTDNCPIATRTRRLSYNAPQKSSSTRNYNNTNNAKETSLFSTFMNCFNFSHGMPTSTTSESYVSSISSSGSSSSSSSSSSSSSSSSSSSSSSSNTLTTLNNNSFRSLYNLKDKLITASAGTTIQTKVDNICLPSSSDCIDMSPLRPSFSSSPTTVLVKDDNDSDSIGNPDEECPGTSEQRCQLNVSHQKEQFISNRIVDKLSSLSPTSIHTPSPPMLSLADGLSTNDIDLPTSLNDIISSNHNNHNSNSDNTISFISKSHHSFGKELNNRPPPCLSLYDSGLLVVHSKSDDSSMNSLSSSPSSSSSDSTAKAVDCSSVNNLHCVHHHYELGCNSNCRSTDPSTISHKFNSNFSFPLYVETNLDSDDEDVVNTGLTTTTTTTTTSVTTASNDRGCMLSSLSETKILRQQQHQCNNHLIQQNDNLITTTLCSEISVHYLSDAVINTNRSILFKRLHNSLHNRKHRSWPTSPIHLSSSCKSAPSNYKFQNDDYTIRDSESSSSSSSSSPPILCRAVNNCTPLTAPSLIPFNTTDNHKSPLIGSSHSVRNQLNHSPLPPVLITNDVKSETILSPIFSTSLSAHWINHHCDDIQPPILLPSNSCETECSINATENLTHPPVSPYSSSTISSTHIDLSDNYASDHSTVLTLPMTGEQQLHNNNNINMKSIDCIEDSYVNGQLMNYTTDTDGLTLIASYNGDDLVNKPSKSLSSFDNNSLSSIISQDSSSEQTVAMCLSDSLSPPFLEDSQDFFNGNNFTEKKRSNLLNDRTLTFNFNHNQMDIYSHHNSNNNVLRSRHTSEPSKIIMMMDMVCYYPMGNCRRCHSHPNLKFYTNSLLSEVRITREDDNDTTTIITQPALGSPVSHRSSLEEQSDDYLVKVSADLLNLPLFSENINISNQPMIPVSSQQYESLSCTTPSPILSLCSHSPVIDKLSSYVVDKAVDSNHPSKLLSPSSSSSCSPANEISVFQSSIISPNNPVSLYDSAPNPLEICSTTSTTVTVTSCTTDTLSYLNSTQTSSKPLDIQNISFPEEEIGFVTDSNVHLSVVSSTCCMTYPNNNLSAVNSLSLESTIPLSTVNLSLISDGIICSVIANISNSVTTTNVHIDVTRNNSTNSQHSSPSKNQYLSECTSPEREHIPIVASDHEPDFDSTELTHIHHHLQFENNNRHDYIDNKNTIITKEFFHTPLSNHEDKTLLCDTDDILSESSNFVSPDTDQLVCGSTHSYSSSVLSNILDQSDSVIVTSSTAITTTTTINNTNFTNNLSKSCDMNLLSTNYSGQLSNLPLISMEVFPVTTCTTVGVPSQSDNYCINNMNSRSIGSVLSSSSSHFPVIHQSTGLGSFPYESDFSYQQQSNIYDLIPIRTCPQLNSSSIPTPPSRITTTRSRTKRDGNTKKSLKTTSRQSRSCSSISPVASLSIPWSECNPMKSSYARRVPYQVVPINESPYNITCDQYNSSDLFNSTGFPSITCHSLTPGQIVHTSQNNNLSDSYLCRASNAMGTCESLHLPTTSYCYLTPTASYGVNVSTQQPFDTCSNFQNPSQLCGMDRVTCSMSSLPNSCNLEPQLSHLPVTQNYQCNPSSFPFTHHSNSQSLLPSGVNQFIPDMINNSSCQSLSTTIKTDRAHHINQQSSTPVYPVYSGNFSFPLVVTSTRDVLSSNLQLSTSTGCTASQINNSLLVKPDYFNYSGNCNLNQSSILPCTERNVHSCNVVDNTSSLTQLSGSYCSGIQQQPTFQNTSSDFLSNISSNIGSNQFIMVNTASTTANTIVDDITVTSTHIPYPGMLSNTCRNNRNSDINSSIGRLSQHDILPPDTTLPFSTIVDTYHPKNAVYNSNNDNYYYYHCSDNQNNLSLLDSPVVMQSSSLVGWTPNDLVNRTGHFTQVPYHPMPT
					

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

Download 11 Fragment Structures AlphaSync Parameters PDBs Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	33.9	Very low	227 Å²	227	169.9 Å²	169.9	100%	1.118	86%	0.864	S	S	*	*				0	118	0	-67.1	169.2	175.9	0	0	106.6
2	N	30.2	Very low	33.9	Very low	144 Å²	144	175.2 Å²	175.2	77%	0.77	87%	0.865	S	S	*	*				72.6	124	65.8	-61	6.3	0	0	0	109.8
3	T	34.8	Very low	34.1	Very low	139 Å²	139	180.3 Å²	180.3	85%	0.853	87%	0.872	S	S	*	*			cis	-154.8	169.9	11.8	-11.3	0	0	0	0	113.5
4	R	32.8	Very low	34.4	Very low	234 Å²	234	172.6 Å²	172.6	88%	0.883	86%	0.862	S	S	*	*			trans	-74.8	147.8	178.7	-61.1	168.3	171	166	-5.5	113.8
5	K	35.7	Very low	34.5	Very low	202 Å²	202	170.4 Å²	170.4	88%	0.878	86%	0.855	S	S	*	*			trans	171	129.9	139.5	-92	154.8	-176	-177.8	0	106.5
6	R	31.9	Very low	34.6	Very low	244 Å²	244	170.4 Å²	170.4	92%	0.921	86%	0.856	S	S	*	*			cis	56.5	97.1	40.7	-81.6	-160.9	179.6	-154.9	2	114.7
7	S	32.5	Very low	34.5	Very low	115 Å²	115	172.5 Å²	172.5	80%	0.804	85%	0.852	S	S	*	*				-178.4	138.4	121.4	56.4	0	0	0	0	114.3
8	C	32.7	Very low	34.3	Very low	122 Å²	122	168.2 Å²	168.2	82%	0.824	84%	0.84	S	S	*	*			trans	-1.6	139.9	153.6	-44.6	0	0	0	0	120.7
9	F	32.2	Very low	34.1	Very low	220 Å²	220	164.7 Å²	164.7	97%	0.965	83%	0.829	S	S	*	*			trans	-81.9	140.9	151.4	-102.4	-89.9	0	0	0	110.8
10	S	36.1	Very low	33.8	Very low	92 Å²	92	164.1 Å²	164.1	64%	0.643	82%	0.823	S	S	*	*			trans	-156.4	138.6	173.7	175.8	0	0	0	0	107.6	R12	S10-R12 PolarHBondContact O-N 3.2Å
11	P	37.2	Very low	33.6	Very low	130 Å²	130	163.1 Å²	163.1	84%	0.844	82%	0.819	S	S	*	*			trans	-74.3	115.1	-179.4	29.3	-32.7	0	0	0	110.6
12	R	32.9	Very low	33.2	Very low	233 Å²	233	157.6 Å²	157.6	88%	0.879	79%	0.794	S	S	*	*			trans	-94.1	134.6	167.1	-72.7	-173	176.1	-163.1	-1.6	110.4	S10	S10-R12 PolarHBondContact O-N 3.2Å
13	Y	37.6	Very low	33.1	Very low	242 Å²	242	158.8 Å²	158.8	95%	0.949	80%	0.795	S	S	*	*			trans	-110.5	152.5	138.9	-103.7	-97.1	0	0	0	107.7
14	G	38.2	Very low	32.9	Very low	72 Å²	72	155.5 Å²	155.5	74%	0.742	79%	0.789	S	S	*	*			trans	-108	159.9	-161.1	0	0	0	0	0	116
15	D	35.5	Very low	32.7	Very low	140 Å²	140	153 Å²	153	75%	0.749	79%	0.786	S	S	*	*			trans	-67	146.9	174.5	-52.9	-81.6	0	0	0	113.3
16	I	36.1	Very low	32.4	Very low	170 Å²	170	148.6 Å²	148.6	87%	0.872	78%	0.782	S	S	*	*			trans	-129.2	132.9	133.7	-68.9	-173.4	0	0	0	107.2
17	R	32.5	Very low	32.3	Very low	207 Å²	207	141.1 Å²	141.1	78%	0.781	77%	0.766	S	S	*	*			trans	-88.5	178.2	177.4	-51.1	179.8	177.9	174.7	-3	109.2
18	C	30.8	Very low	32.2	Very low	94 Å²	94	142.3 Å²	142.3	64%	0.635	76%	0.764	S	S	*	*			cis	-177.2	157.5	38.8	-133.3	0	0	0	0	108.7
19	T	30.8	Very low	32.2	Very low	103 Å²	103	143 Å²	143	63%	0.632	76%	0.758	S	S	*	*			trans	54.7	144.4	141.6	57.3	0	0	0	0	120.2
20	E	29.2	Very low	32.3	Very low	152 Å²	152	140.8 Å²	140.8	71%	0.71	75%	0.751	S	S	*	*			cis	-174.3	161.6	-0.7	-117.1	159.4	-162.7	0	0	108
21	L	29.2	Very low	32	Very low	143 Å²	143	141 Å²	141	75%	0.749	75%	0.752	S	S	*	*			trans	60.5	151	147.2	-64.5	167.4	0	0	0	118.9
22	D	27.6	Very low	32	Very low	111 Å²	111	142.8 Å²	142.8	59%	0.594	75%	0.754	S	S	*	*			cis	-159.2	179.9	-28.3	-146.4	-13	0	0	0	110.1
23	Q	28	Very low	32	Very low	170 Å²	170	136.8 Å²	136.8	79%	0.794	75%	0.747	S	S	*	*			trans	25.4	128.9	148	-67.7	165.8	60.5	0	0	121.6
24	G	31.5	Very low	31.9	Very low	69 Å²	69	130.9 Å²	130.9	71%	0.711	74%	0.739	S	S	*	*			trans	151	81.4	160.9	0	0	0	0	0	114.3
25	H	29.1	Very low	31.8	Very low	181 Å²	181	133.6 Å²	133.6	84%	0.838	74%	0.74	S	S	*	*				58.9	125.2	89.6	-87.2	-84.9	0	0	0	117.8
26	S	28.9	Very low	31.7	Very low	111 Å²	111	132.1 Å²	132.1	78%	0.776	74%	0.739	S	S	*	*			trans	69.5	150.2	152.3	78	0	0	0	0	117.7
27	S	29.5	Very low	31.4	Very low	86 Å²	86	129.4 Å²	129.4	60%	0.601	73%	0.73	S	S	*	*			cis	-169.5	179.4	-17	47.8	0	0	0	0	109.2
28	N	30.8	Very low	31.1	Very low	141 Å²	141	125.4 Å²	125.4	75%	0.754	73%	0.728	S	S	*	*			trans	70.9	144.3	162.5	-58.3	-22.1	0	0	0	115.6
29	I	32.1	Very low	31.2	Very low	137 Å²	137	131.4 Å²	131.4	70%	0.703	74%	0.739	S	S	*	*			cis	-148.4	146.4	-4.5	-107.4	156.7	0	0	0	103.6
30	E	34.4	Very low	31.4	Very low	172 Å²	172	131.5 Å²	131.5	80%	0.804	74%	0.744	S	S	*	*				-163.2	167.3	59.1	-155.1	137.5	-122.4	0	0	112.7
31	S	30.6	Very low	31.7	Very low	96 Å²	96	128.6 Å²	128.6	67%	0.671	74%	0.738	S	S	*	*			trans	-60.4	161.9	-179.8	55.6	0	0	0	0	115.5
32	L	36.9	Very low	31.8	Very low	168 Å²	168	130.2 Å²	130.2	88%	0.88	74%	0.739	S	S	*	*			cis	-151.6	165.4	41.2	-75.3	161.2	0	0	0	113.8
33	S	32.1	Very low	31.8	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	75%	0.747	S	S	*	*			trans	-128.3	168.4	160.7	81.4	0	0	0	0	108.6
34	P	36.6	Very low	31.8	Very low	119 Å²	119	132.2 Å²	132.2	77%	0.773	74%	0.743	S	S	*	*				-151.8	-179.7	60.3	42.1	-20.5	0	0	0	118.2
35	V	35.7	Very low	31.9	Very low	128 Å²	128	136.5 Å²	136.5	78%	0.776	75%	0.749	S	S	*	*			trans	-61	153.4	158.2	-163.7	0	0	0	0	108.5
36	P	33.8	Very low	31.9	Very low	109 Å²	109	136.2 Å²	136.2	71%	0.708	75%	0.748	S	S	*	*				-161	-156.3	60.2	36.6	-7.6	0	0	0	118.4
37	V	28.7	Very low	32.2	Very low	114 Å²	114	134.9 Å²	134.9	69%	0.691	74%	0.737	S	S	*	*			trans	78.1	104.1	164.1	-166.6	0	0	0	0	115.4
38	V	26	Very low	32.3	Very low	123 Å²	123	137.7 Å²	137.7	75%	0.745	75%	0.745	S	S	*	*				70.8	113.1	62.2	177.6	0	0	0	0	114.5
39	Y	33.5	Very low	32.2	Very low	219 Å²	219	136.9 Å²	136.9	86%	0.859	74%	0.74	S	S	*	*			trans	-167.7	103	142.3	-109.4	-69.5	0	0	0	112.8
40	S	35.5	Very low	32.1	Very low	105 Å²	105	141 Å²	141	73%	0.734	75%	0.746	S	S	*	*			trans	-98	161.6	136.2	-68.4	0	0	0	0	106.2
41	P	35	Very low	32.1	Very low	92 Å²	92	136.9 Å²	136.9	60%	0.597	74%	0.737	S	S	*	*			cis	-130	-158.9	33.4	25.5	2.1	0	0	0	112.1	F43	P41-F43 HydrophobicContact CB-CD2 4.49Å
42	K	31.4	Very low	32.3	Very low	176 Å²	176	140 Å²	140	77%	0.765	74%	0.74	S	S	*	*			cis	-160.3	147.4	44.9	-79.7	-175.1	-178.7	-174.9	0	110.4
43	F	26.8	Very low	32.2	Very low	175 Å²	175	137.9 Å²	137.9	77%	0.768	73%	0.73	S	S	*	*				50.3	137.3	82	-66.6	-80.1	0	0	0	113.9	P41	P41-F43 HydrophobicContact CB-CD2 4.49Å
44	E	28.3	Very low	32.2	Very low	148 Å²	148	139.2 Å²	139.2	69%	0.692	73%	0.729	S	S	*	*			cis	-127.4	169.2	-1	-71.5	95	-156.2	0	0	110
45	N	34.6	Very low	32	Very low	159 Å²	159	140.3 Å²	140.3	85%	0.85	73%	0.733	S	S	*	*			cis	-154.3	150.7	44	-79.6	-88	0	0	0	115.7
46	E	29.2	Very low	31.6	Very low	175 Å²	175	140.7 Å²	140.7	82%	0.818	73%	0.73	S	S	*	*			trans	-76.1	-175.2	165.6	-89.6	-121	119.1	0	0	113
47	P	34.5	Very low	31.5	Very low	84 Å²	84	141.5 Å²	141.5	55%	0.545	73%	0.733	S	S	.	*			cis	-139.4	-152.8	-35.3	35.5	-15.1	0	0	0	113.2
48	L	31.6	Very low	31.8	Very low	145 Å²	145	141.2 Å²	141.2	76%	0.759	73%	0.734	S	S	*	*			trans	102.6	138.9	157	-54.3	-177.2	0	0	0	117.4
49	L	28.2	Very low	31.9	Very low	123 Å²	123	144 Å²	144	64%	0.644	74%	0.741	S	S	*	*			cis	-167.2	141.2	-36.6	-148.5	73	0	0	0	109.4
50	R	30.9	Very low	31.6	Very low	224 Å²	224	141.1 Å²	141.1	85%	0.845	74%	0.741	S	S	*	*			trans	64.9	152.9	160.4	-76	170.4	-166.9	-145.9	1.1	117.4
51	S	33.7	Very low	31.5	Very low	86 Å²	86	142 Å²	142	60%	0.601	75%	0.747	S	S	*	*			cis	-175.4	159.5	-12.3	50.6	0	0	0	0	113.2
52	H	35.8	Very low	31.1	Very low	161 Å²	161	143 Å²	143	75%	0.745	76%	0.756	S	S	*	*			trans	62.9	139.3	153.6	-65.6	-56.9	0	0	0	118.2
53	D	35.1	Very low	31.4	Very low	123 Å²	123	140.5 Å²	140.5	66%	0.658	76%	0.757	S	S	*	*			cis	-146.5	145.4	-12	-88.7	-40.8	0	0	0	106.7
54	N	30.8	Very low	31.7	Very low	136 Å²	136	139 Å²	139	73%	0.727	76%	0.763	S	S	*	*				70.9	102.5	56.9	-148.1	15.5	0	0	0	114.2
55	V	33	Very low	31.6	Very low	141 Å²	141	140.2 Å²	140.2	86%	0.855	77%	0.768	S	S	*	*			trans	-174.5	143.5	141.5	141.7	0	0	0	0	109.9
56	N	28.1	Very low	31.4	Very low	136 Å²	136	143.4 Å²	143.4	73%	0.727	77%	0.77	S	S	*	*			trans	-98.3	175.4	-177.4	-67	-70	0	0	0	113
57	T	30.7	Very low	31.5	Very low	126 Å²	126	140.6 Å²	140.6	77%	0.773	77%	0.765	S	S	*	*			trans	124.5	126.4	140.4	-48.2	0	0	0	0	114.2
58	P	34.5	Very low	31.6	Very low	109 Å²	109	140 Å²	140	71%	0.708	77%	0.774	S	S	*	*			trans	-92.5	161.4	-179.6	37.4	-35.8	0	0	0	113.3
59	M	29.3	Very low	31.5	Very low	181 Å²	181	139 Å²	139	89%	0.892	77%	0.774	S	S	*	*			trans	-146.4	151.9	165.6	-93.4	-61.1	125.1	0	0	113.2
60	N	27.4	Very low	31.6	Very low	159 Å²	159	139.5 Å²	139.5	85%	0.85	79%	0.786	S	S	*	*			trans	-95.4	142.3	172.2	-68.7	-52.4	0	0	0	110.9
61	S	32.3	Very low	31.7	Very low	123 Å²	123	137.7 Å²	137.7	86%	0.86	79%	0.787	S	S	*	*			trans	-162.7	144.3	152.6	55.4	0	0	0	0	113.3
62	S	28.1	Very low	31.8	Very low	114 Å²	114	136.7 Å²	136.7	80%	0.797	79%	0.79	S	S	*	*			trans	-85.9	169.3	177.5	47.1	0	0	0	0	113.2
63	P	36.7	Very low	31.6	Very low	122 Å²	122	135 Å²	135	79%	0.792	80%	0.797	S	S	*	*			trans	-93.9	159.2	-161.1	36.8	-36.5	0	0	0	115.6
64	T	32.8	Very low	31.5	Very low	143 Å²	143	133 Å²	133	88%	0.877	81%	0.806	S	S	*	*			trans	-155.7	165.4	162.5	-67.9	0	0	0	0	110
65	E	27.5	Very low	31.7	Very low	174 Å²	174	135.6 Å²	135.6	81%	0.813	81%	0.813	S	S	*	*			trans	-76.9	167.1	-170.8	-55.1	168	117	0	0	115.2
66	Y	30.2	Very low	31.6	Very low	226 Å²	226	138.8 Å²	138.8	89%	0.886	81%	0.81	S	S	*	*			trans	-146.6	150.6	153.2	-155.6	-97.2	0	0	0	111.7
67	T	31.4	Very low	31.7	Very low	116 Å²	116	138.4 Å²	138.4	71%	0.712	81%	0.812	S	S	*	*			trans	-141.5	154.4	-167.7	56.6	0	0	0	0	113.8
68	G	34.9	Very low	31.7	Very low	71 Å²	71	140 Å²	140	73%	0.732	82%	0.816	S	S	*	*			trans	123.4	168.5	157.2	0	0	0	0	0	116
69	V	31.1	Very low	31.5	Very low	125 Å²	125	145.4 Å²	145.4	76%	0.758	82%	0.822	S	S	*	*			cis	-154.4	146	-20.6	163.9	0	0	0	0	106.4	Q71	V69-Q71 HydrophobicContact CG1-CG 4.49Å
70	C	29.7	Very low	31.9	Very low	133 Å²	133	146 Å²	146	90%	0.899	82%	0.823	S	S	*	*			trans	-159.4	153.2	147.1	-124.7	0	0	0	0	111.5
71	Q	32.1	Very low	32	Very low	186 Å²	186	144.7 Å²	144.7	87%	0.869	81%	0.806	S	S	*	*			trans	-131.5	165.7	-170.4	-63.4	-175.9	-1.9	0	0	112.8	V69	V69-Q71 HydrophobicContact CG1-CG 4.49Å
72	G	35.8	Very low	32.1	Very low	65 Å²	65	145.9 Å²	145.9	67%	0.67	81%	0.808	S	S	*	*			trans	139.8	87.4	170.5	0	0	0	0	0	112.2
73	S	32.8	Very low	32.3	Very low	127 Å²	127	144.8 Å²	144.8	89%	0.888	81%	0.806	S	S	*	*				65.7	104.7	71.9	80.5	0	0	0	0	114.2
74	G	32.5	Very low	32.1	Very low	81 Å²	81	145.2 Å²	145.2	84%	0.835	81%	0.812	S	S	*	*			trans	-177.6	112	178.4	0	0	0	0	0	114.9
75	Q	34.5	Very low	32.1	Very low	189 Å²	189	142 Å²	142	88%	0.883	81%	0.807	S	S	*	*			trans	-61.7	171.2	172.2	-65.9	173.6	12.8	0	0	113.3
76	R	30.6	Very low	32.4	Very low	209 Å²	209	140.2 Å²	140.2	79%	0.789	81%	0.808	S	S	*	*			cis	173.7	135.8	-24.5	-169.1	-166.6	-169.1	-176.7	3.1	106.4
77	T	30.5	Very low	32.9	Very low	127 Å²	127	135 Å²	135	78%	0.779	80%	0.802	S	S	*	*			trans	64.5	168.7	175.8	79.4	0	0	0	0	116
78	L	31.1	Very low	32.9	Very low	161 Å²	161	134.3 Å²	134.3	84%	0.843	80%	0.802	S	S	*	*			cis	-141.8	173.4	-4	-166	52.1	0	0	0	110.5
79	R	30.9	Very low	32.8	Very low	221 Å²	221	139 Å²	139	83%	0.834	81%	0.805	S	S	*	*			trans	-84	149.2	173.9	-63.1	169.1	167.7	174.4	-4	112.3
80	Q	36.5	Very low	32.9	Very low	195 Å²	195	138.4 Å²	138.4	91%	0.911	81%	0.806	S	S	*	*				-175.8	-177.3	108.6	-99.7	174.2	-2.7	0	0	111.1
81	R	30.6	Very low	33.2	Very low	130 Å²	130	136.9 Å²	136.9	49%	0.491	80%	0.797	S	S	.	*			trans	-142.9	149.9	-179.4	19.8	69.8	162.7	-97.2	3.2	113.7	N419 R420	R81-N419 PolarHBondContact NH2-OD1 3.25Å; R81-R420 VanDerWaalsContact CZ-O 3.25Å; R81-R420 PolarHBondContact NH1-O 3.32Å; R81-R420 PolarHBondContact NH2-O 2.75Å
82	T	34.1	Very low	33.3	Very low	148 Å²	148	137.6 Å²	137.6	91%	0.908	80%	0.8	S	S	*	*			trans	-136.5	177.3	162	37.2	0	0	0	0	109.1
83	A	32.3	Very low	33.1	Very low	92 Å²	92	138.3 Å²	138.3	76%	0.76	81%	0.808	S	S	*	*			trans	-138.5	-166.7	-166.9	0	0	0	0	0	112.9
84	S	31.6	Very low	33.1	Very low	130 Å²	130	137.3 Å²	137.3	91%	0.909	81%	0.807	S	S	*	*			trans	82	151.6	178.1	79	0	0	0	0	117.1
85	G	33.2	Very low	33.1	Very low	75 Å²	75	143 Å²	143	77%	0.773	81%	0.812	S	S	*	*			trans	130.5	104.2	173.9	0	0	0	0	0	116.1
86	T	34.3	Very low	33.2	Very low	137 Å²	137	139 Å²	139	84%	0.84	81%	0.81	S	S	*	*			trans	-153.1	161.2	169.8	51.4	0	0	0	0	108.2
87	P	40.4	Very low	33.2	Very low	116 Å²	116	139 Å²	139	75%	0.753	82%	0.817	S	S	*	*			cis	-129.6	-147.1	-12.9	38.6	-17.9	0	0	0	111.6
88	S	31.8	Very low	33.4	Very low	103 Å²	103	141.1 Å²	141.1	72%	0.72	82%	0.822	S	S	*	*			trans	73.7	156.2	162.3	103.2	0	0	0	0	117.7
89	E	32.1	Very low	33.4	Very low	170 Å²	170	139 Å²	139	79%	0.794	82%	0.821	S	S	*	*			cis	-160.4	147.2	-14.8	-133	167.4	-163.2	0	0	113.5
90	S	32.7	Very low	33.5	Very low	111 Å²	111	134.1 Å²	134.1	78%	0.776	82%	0.82	S	S	*	*			trans	64.1	171.5	163.9	91.8	0	0	0	0	117.2
91	S	38	Very low	33.5	Very low	102 Å²	102	130.9 Å²	130.9	71%	0.713	81%	0.813	S	S	*	*			cis	-148.2	166.5	-6.6	13.2	0	0	0	0	112.5
92	H	32.6	Very low	33.4	Very low	200 Å²	200	130.1 Å²	130.1	93%	0.926	83%	0.828	S	S	*	*			trans	-41.4	143.8	-171.8	-56.7	-86.1	0	0	0	121.4
93	G	32.5	Very low	33.7	Very low	81 Å²	81	127.9 Å²	127.9	84%	0.835	81%	0.814	S	S	*	*			trans	-154.8	145.3	153.8	0	0	0	0	0	109
94	A	32.2	Very low	33.7	Very low	105 Å²	105	132.2 Å²	132.2	87%	0.868	82%	0.816	S	S	*	*			trans	-113.8	134.5	-165.6	0	0	0	0	0	114.4
95	E	32.1	Very low	33.9	Very low	202 Å²	202	130 Å²	130	94%	0.944	80%	0.8	S	S	*	*			trans	-134.7	160.6	169.8	-75.2	-157	120.4	0	0	112.7
96	A	36.9	Very low	33.9	Very low	103 Å²	103	137.6 Å²	137.6	85%	0.851	81%	0.805	S	S	*	*			trans	-84.4	151.5	-166	0	0	0	0	0	114.8	L98	A96-L98 PolarHBondContact O-N 3.36Å
97	K	30	Very low	34.1	Very low	211 Å²	211	133.4 Å²	133.4	92%	0.917	79%	0.79	S	S	*	*			trans	-81.3	101.9	179.2	-71	173.5	-179.8	166.7	0	112.1
98	L	35.2	Very low	34.1	Very low	170 Å²	170	130.6 Å²	130.6	89%	0.89	77%	0.768	S	S	*	*			trans	-108.7	122.4	153.8	-81.1	165.1	0	0	0	109.3	A96 S100	A96-L98 PolarHBondContact O-N 3.36Å; L98-S100 PolarHBondContact O-N 2.95Å
99	S	32.4	Very low	34.8	Very low	117 Å²	117	129 Å²	129	82%	0.818	75%	0.751	S	S	*	*			trans	-78.7	117.3	-173.5	58.9	0	0	0	0	112.3
100	S	33.1	Very low	35.7	Very low	118 Å²	118	127 Å²	127	83%	0.825	75%	0.746	S	S	*	*			trans	-86.3	116.2	179.7	48.7	0	0	0	0	112.9	L98 S102	L98-S100 PolarHBondContact O-N 2.95Å; S100-S102 PolarHBondContact O-N 3.07Å
101	V	35.8	Very low	36.5	Very low	127 Å²	127	128 Å²	128	77%	0.77	73%	0.733	S	S	*	*			trans	-81.1	106	172.7	-178.6	0	0	0	0	109.5	V103	V101-V103 VanDerWaalsContact C-N 3.35Å; V101-V103 HydrophobicContact CG1-CG2 4.09Å; V101-V103 PolarHBondContact O-N 2.96Å
102	S	28.7	Very low	37.3	Very low	114 Å²	114	123.9 Å²	123.9	80%	0.797	70%	0.702	S	S	*	*			trans	-74.2	80.1	-177.6	-166.4	0	0	0	0	112.8	S100	S100-S102 PolarHBondContact O-N 3.07Å
103	V	39.7	Very low	38.6	Very low	101 Å²	101	119.7 Å²	119.7	61%	0.612	69%	0.685	S	S	*	*			trans	-76.2	124.1	173.3	-177.8	0	0	0	0	110.1	V101 S105	V101-V103 VanDerWaalsContact C-N 3.35Å; V101-V103 HydrophobicContact CG1-CG2 4.09Å; V101-V103 PolarHBondContact O-N 2.96Å; V103-S105 VanDerWaalsContact C-N 3.32Å; V103-S105 PolarHBondContact O-N 2.9Å
104	K	32.7	Very low	40	Very low	183 Å²	183	123.6 Å²	123.6	80%	0.796	68%	0.675	S	S	*	*			trans	-77.2	76	-178.6	-66.9	177.2	-178.9	173	0	111.9	R106 G107	K104-R106 PolarHBondContact O-N 2.83Å; K104-G107 PolarHBondContact O-N 2.83Å
105	S	36	Very low	41.8	Very low	83 Å²	83	129.8 Å²	129.8	58%	0.58	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-51.9	-28.2	-175.3	36.1	0	0	0	0	115.3	V103 G107 L108	V103-S105 VanDerWaalsContact C-N 3.32Å; V103-S105 PolarHBondContact O-N 2.9Å; S105-G107 PolarHBondContact O-N 3.44Å; S105-G107 VanDerWaalsContact O-N 3.07Å; S105-L108 PolarHBondContact O-N 3.38Å; S105-L108 VanDerWaalsContact O-N 3.13Å
106	R	33.1	Very low	44	Very low	235 Å²	235	122 Å²	122	89%	0.887	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-59.4	-16.7	175.2	-71.9	-177.1	174.2	163.6	-0.3	115.2	K104	K104-R106 PolarHBondContact O-N 2.83Å
107	G	37.6	Very low	46.2	Very low	50 Å²	50	119.4 Å²	119.4	52%	0.515	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-79.7	-27.1	175.1	0	0	0	0	0	114.8	K104 S105 L109	K104-G107 PolarHBondContact O-N 2.83Å; S105-G107 PolarHBondContact O-N 3.44Å; S105-G107 VanDerWaalsContact O-N 3.07Å; G107-L109 PolarHBondContact O-N 3.19Å
108	L	41.3	Very low	48.9	Very low	56 Å²	56	116.6 Å²	116.6	29%	0.293	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.9	-28.7	-164.5	-65.2	170.2	0	0	0	113.9	S105 Q184	S105-L108 PolarHBondContact O-N 3.38Å; S105-L108 VanDerWaalsContact O-N 3.13Å; L108-Q184 HydrophobicContact CD2-CG 4.34Å; L108-Q184 PolarHBondContact O-NE2 3.33Å
109	L	46.8	Very low	51.5	Low	70 Å²	70	108.9 Å²	108.9	37%	0.366	57%	0.566	S	S	.	*	H	α-helix	trans	-78.4	-38.4	-178	-60.3	173.3	0	0	0	112.3	G107 R111 R112 L113 S251 C255	G107-L109 PolarHBondContact O-N 3.19Å; L109-R111 PolarHBondContact O-N 2.9Å; L109-R111 VanDerWaalsContact O-N 3.14Å; L109-R112 PolarHBondContact O-N 2.94Å; L109-R112 VanDerWaalsContact O-N 3.08Å; L109-L113 PolarHBondContact O-N 3.07Å; L109-S251 WeakPolarHBondContact CD2-OG 3.37Å; L109-C255 VanDerWaalsContact CD2-SG 3.59Å
110	N	49.7	Very low	54.3	Low	127 Å²	127	106.6 Å²	106.6	68%	0.679	54%	0.544	S	S	*	.	H	α-helix	trans	-69.5	-10.3	-172	-95.4	2.9	0	0	0	115.4
111	R	50.7	Low	57	Low	134 Å²	134	101.8 Å²	101.8	51%	0.506	51%	0.51	S	S	.	.	H	α-helix	trans	-83.5	-42.1	167.5	-74.9	-167.8	178.9	-166.8	3.8	112	L109 R114	L109-R111 PolarHBondContact O-N 2.9Å; L109-R111 VanDerWaalsContact O-N 3.14Å; R111-R114 WeakPolarHBondContact O-CG 3.44Å
112	R	54.7	Low	59.6	Low	15 Å²	15	98.5 Å²	98.5	6%	0.057	49%	0.487	C	S	.	.	H	α-helix	trans	-69.8	-38.1	-175.4	-68.9	169.3	172.3	-99.3	3.6	112.4	L109 R114 C181 C255 D256	L109-R112 PolarHBondContact O-N 2.94Å; L109-R112 VanDerWaalsContact O-N 3.08Å; R112-R114 PolarHBondContact O-N 3.23Å; R112-R114 VanDerWaalsContact O-N 3.13Å; R112-C181 PolarHBondContact NH2-O 3.24Å; R112-C255 HydrophobicContact CB-CB 4.31Å; R112-D256 IonicContact CZ-OD1 3.1Å; R112-D256 IonicContact CZ-OD2 3.77Å; R112-D256 IonicContact NH1-OD1 3.25Å; R112-D256 PolarHBondContact NH1-OD1 3.04Å; R112-D256 IonicContact NH1-OD2 3.67Å; R112-D256 PolarHBondContact NH1-OD2 2.96Å
113	L	58.8	Low	62.7	Low	111 Å²	111	93 Å²	93	58%	0.581	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	26	179.3	-58.2	176.4	0	0	0	114	L109	L109-L113 PolarHBondContact O-N 3.07Å
114	R	62.9	Low	65	Low	164 Å²	164	90.3 Å²	90.3	62%	0.619	44%	0.442	S	S	*	.	S	Bend	trans	-78.2	146.3	172.9	-79.2	-177.7	166.2	-161.4	-5.1	110.6	R111 R112 W146	R111-R114 WeakPolarHBondContact O-CG 3.44Å; R112-R114 PolarHBondContact O-N 3.23Å; R112-R114 VanDerWaalsContact O-N 3.13Å; R114-W146 PolarHBondContact O-NE1 3.22Å
115	R	69.4	Low	67.7	Low	235 Å²	235	85.9 Å²	85.9	89%	0.887	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-52.1	141	168.4	-68.9	-177.5	176.6	-179.5	-2.4	109.7
116	P	78.5	Confident	70.4	Confident	39 Å²	39	82.8 Å²	82.8	25%	0.253	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-62	149.7	176	27.2	-33.8	0	0	0	110.5	W146 W265	P116-W146 HydrophobicContact CB-CD2 3.95Å; P116-W146 HydrophobicContact CB-CE3 4.01Å; P116-W146 HydrophobicContact CB-CH2 3.88Å; P116-W146 HydrophobicContact CB-CZ2 3.85Å; P116-W146 HydrophobicContact CB-CZ3 3.98Å; P116-W146 HydrophobicContact CG-CH2 3.91Å; P116-W146 HydrophobicContact CG-CZ2 4.07Å; P116-W146 HydrophobicContact CG-CZ3 4.33Å; P116-W265 HydrophobicContact CB-CH2 4.2Å; P116-W265 HydrophobicContact CB-CZ3 3.79Å; P116-W265 HydrophobicContact CG-CE3 4.14Å; P116-W265 HydrophobicContact CG-CH2 3.79Å; P116-W265 HydrophobicContact CG-CZ3 3.49Å; P116-W265 VanDerWaalsContact CG-CZ3 3.49Å
117	S	83.5	Confident	73.1	Confident	48 Å²	48	78 Å²	78	34%	0.336	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-68.8	160.4	171.2	-84.4	0	0	0	0	111.7	V119 W146 E147	S117-V119 PolarHBondContact O-N 3.12Å; S117-V119 VanDerWaalsContact O-N 3.15Å; S117-W146 PolarHBondContact N-O 2.88Å; S117-E147 VanDerWaalsContact CB-O 3.25Å; S117-E147 WeakPolarHBondContact CB-O 3.4Å; S117-E147 PolarHBondContact OG-O 2.9Å
118	K	86.8	Confident	75.5	Confident	152 Å²	152	75.8 Å²	75.8	66%	0.661	37%	0.373	S	S	*	.			trans	-66.9	115.4	177.1	-170	-155.4	174.3	-156	0	108.8
119	V	89.3	Confident	77.9	Confident	8 Å²	8	74.5 Å²	74.5	5%	0.048	37%	0.367	C	S	.	.			trans	-61.6	140.7	177.6	-176.4	0	0	0	0	111.1	S117 A144 S151 W265 A269 A270	S117-V119 PolarHBondContact O-N 3.12Å; S117-V119 VanDerWaalsContact O-N 3.15Å; V119-A144 HydrophobicContact CB-CB 4.39Å; V119-A144 HydrophobicContact CG1-CB 3.55Å; V119-A144 HydrophobicContact CG2-CB 3.96Å; V119-S151 WeakPolarHBondContact CG1-OG 3.18Å; V119-W265 HydrophobicContact CG2-CH2 4.31Å; V119-W265 HydrophobicContact CG2-CZ3 4.19Å; V119-A269 HydrophobicContact CB-CB 3.89Å; V119-A269 HydrophobicContact CG2-CB 3.86Å; V119-A270 HydrophobicContact CG1-CB 3.99Å
120	I	90.5	Very high	80	Confident	68 Å²	68	71.8 Å²	71.8	35%	0.349	35%	0.354	S	S	.	.			trans	-98.5	112.4	174.2	-57.9	173.6	0	0	0	106.8	I122 G149 S151	I120-I122 HydrophobicContact CG2-CB 4.29Å; I120-I122 PolarHBondContact O-N 3.26Å; I120-G149 PolarHBondContact N-O 2.89Å; I120-S151 WeakPolarHBondContact O-CB 3.43Å; I120-S151 PolarHBondContact O-OG 3.39Å
121	P	90.5	Very high	81.9	Confident	17 Å²	17	70.7 Å²	70.7	11%	0.11	35%	0.345	C	S	.	.	S	Bend	trans	-81.4	42	-175.4	34.9	-37.5	0	0	0	112.6	M142 A270 V272 L277	P121-M142 VanDerWaalsContact C-CE 3.5Å; P121-A270 WeakPolarHBondContact CA-O 3.16Å; P121-A270 WeakPolarHBondContact CB-O 3.37Å; P121-V272 HydrophobicContact CB-CB 4.07Å; P121-V272 HydrophobicContact CG-CB 4.49Å; P121-L277 HydrophobicContact CG-CD2 4.34Å
122	I	90.8	Very high	83.7	Confident	58 Å²	58	68.2 Å²	68.2	30%	0.297	34%	0.341	S	S	.	.	S	Bend	trans	-142.1	136.4	179.6	-57.1	178.5	0	0	0	107.6	I120 G124 L127 G128 L277	I120-I122 HydrophobicContact CG2-CB 4.29Å; I120-I122 PolarHBondContact O-N 3.26Å; I122-G124 PolarHBondContact O-N 2.94Å; I122-L127 HydrophobicContact CG2-CB 4.47Å; I122-G128 WeakPolarHBondContact CA-O 3.43Å; I122-L277 HydrophobicContact CD1-CD1 4.25Å
123	C	93.1	Very high	85.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-73.1	118.3	176.9	173.9	0	0	0	0	111.7	L125 C126 L127 G128 M142 S151 G152 H153	C123-L125 PolarHBondContact O-N 2.83Å; C123-L125 PolarHBondContact SG-N 3.12Å; C123-L125 VanDerWaalsContact SG-N 3.38Å; C123-C126 PolarHBondContact O-N 3.39Å; C123-L127 WeakPolarHBondContact O-CA 3.37Å; C123-L127 PolarHBondContact O-N 3.29Å; C123-G128 PolarHBondContact N-O 3.5Å; C123-M142 HydrophobicContact CB-SD 3.94Å; C123-S151 WeakPolarHBondContact CA-O 3.32Å; C123-G152 VanDerWaalsContact SG-CA 3.57Å; C123-H153 VanDerWaalsContact CB-CE1 3.45Å; C123-H153 WeakPolarHBondContact CB-CE1 3.33Å; C123-H153 VanDerWaalsContact CB-ND1 3.31Å; C123-H153 WeakPolarHBondContact CB-ND1 3.24Å
124	G	87.3	Confident	86.7	Confident	44 Å²	44	65.9 Å²	65.9	45%	0.454	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	1.3	177.8	0	0	0	0	0	116.1	I122 S151	I122-G124 PolarHBondContact O-N 2.94Å; G124-S151 PolarHBondContact N-O 3.43Å
125	L	90.6	Very high	87.8	Confident	90 Å²	90	64.1 Å²	64.1	47%	0.471	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-11.9	-179.5	-66.5	177.9	0	0	0	114.7	C123 K135 C156 L157	C123-L125 PolarHBondContact O-N 2.83Å; C123-L125 PolarHBondContact SG-N 3.12Å; C123-L125 VanDerWaalsContact SG-N 3.38Å; L125-K135 WeakPolarHBondContact O-CE 3.42Å; L125-K135 PolarHBondContact O-NZ 2.91Å; L125-C156 HydrophobicContact CB-CB 4.09Å; L125-C156 HydrophobicContact CD1-CB 4.22Å; L125-C156 WeakPolarHBondContact CD1-O 3.37Å; L125-L157 HydrophobicContact CD1-CD2 3.81Å; L125-L157 HydrophobicContact CD1-CG 4.37Å
126	C	91.8	Very high	88.8	Confident	18 Å²	18	56 Å²	56	12%	0.122	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.3	-5.9	177	76.3	0	0	0	0	114.2	C123 G128 N134 K135 H153	C123-C126 PolarHBondContact O-N 3.39Å; C126-G128 PolarHBondContact O-N 3.28Å; C126-G128 PolarHBondContact SG-N 3.27Å; C126-G128 VanDerWaalsContact SG-N 3.38Å; C126-N134 HydrophobicContact CB-CB 4.16Å; C126-N134 WeakPolarHBondContact O-CB 3.27Å; C126-N134 PolarHBondContact O-ND2 3.42Å; C126-K135 HydrophobicContact CB-CD 4.2Å; C126-K135 HydrophobicContact CB-CG 3.91Å; C126-H153 VanDerWaalsContact SG-CE1 3.54Å; C126-H153 PolarHBondContact SG-ND1 2.76Å; C126-H153 VanDerWaalsContact SG-ND1 3.4Å
127	L	90.2	Very high	89.1	Confident	135 Å²	135	60.5 Å²	60.5	71%	0.707	33%	0.326	S	S	*	.			trans	60.7	14.3	-175.2	-50.5	-180	0	0	0	115	I122 C123	I122-L127 HydrophobicContact CG2-CB 4.47Å; C123-L127 WeakPolarHBondContact O-CA 3.37Å; C123-L127 PolarHBondContact O-N 3.29Å
128	G	88.8	Confident	89.4	Confident	3 Å²	3	60.7 Å²	60.7	3%	0.031	33%	0.327	C	S	.	.			trans	-82.7	165.1	173.1	0	0	0	0	0	113.3	I122 C123 C126 L132 N134	I122-G128 WeakPolarHBondContact CA-O 3.43Å; C123-G128 PolarHBondContact N-O 3.5Å; C126-G128 PolarHBondContact O-N 3.28Å; C126-G128 PolarHBondContact SG-N 3.27Å; C126-G128 VanDerWaalsContact SG-N 3.38Å; G128-L132 CarbonylContact C-O 3.52Å; G128-L132 WeakPolarHBondContact CA-O 3.45Å; G128-N134 PolarHBondContact N-ND2 3.03Å
129	T	91.5	Very high	89.5	Confident	28 Å²	28	57 Å²	57	17%	0.172	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-98.6	-179.3	173.5	66.9	0	0	0	0	110.5	E131 L132 H153	T129-E131 PolarHBondContact O-N 3.04Å; T129-E131 PolarHBondContact OG1-N 3.31Å; T129-L132 PolarHBondContact N-O 2.97Å; T129-L132 VanDerWaalsContact N-O 3.09Å; T129-L132 CarbonylContact O-C 3.54Å; T129-L132 VanDerWaalsContact O-C 3.29Å; T129-L132 PolarHBondContact O-N 3.06Å; T129-L132 VanDerWaalsContact O-O 3.05Å; T129-H153 PolarHBondContact O-CE1 3.32Å; T129-H153 PolarHBondContact O-NE2 3.18Å
130	S	90.7	Very high	89.5	Confident	13 Å²	13	58.3 Å²	58.3	9%	0.091	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.4	170.9	53.4	0	0	0	0	113.7	A139 E140 N271	S130-A139 WeakPolarHBondContact O-CA 3.46Å; S130-E140 WeakPolarHBondContact CA-O 3.44Å; S130-E140 PolarHBondContact O-N 3.24Å; S130-N271 VanDerWaalsContact CB-OD1 3.26Å; S130-N271 WeakPolarHBondContact CB-OD1 3.42Å; S130-N271 VanDerWaalsContact OG-CA 3.29Å; S130-N271 WeakPolarHBondContact OG-CA 3.47Å
131	E	89.4	Confident	89.5	Confident	105 Å²	105	60 Å²	60	49%	0.491	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-25.4	179.9	-57.6	164.2	127.2	0	0	111.8	T129 A139 S273 G274	T129-E131 PolarHBondContact O-N 3.04Å; T129-E131 PolarHBondContact OG1-N 3.31Å; E131-A139 WeakPolarHBondContact O-CA 3.22Å; E131-A139 WeakPolarHBondContact O-CB 3.29Å; E131-S273 WeakPolarHBondContact OE1-CB 3.01Å; E131-S273 VanDerWaalsContact OE2-CA 3.3Å; E131-S273 WeakPolarHBondContact OE2-CA 3.48Å; E131-G274 PolarHBondContact OE2-N 3.14Å; E131-G274 VanDerWaalsContact OE2-N 3.15Å
132	L	89.2	Confident	89.6	Confident	82 Å²	82	59.7 Å²	59.7	43%	0.429	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-148	108.4	-179.2	-177.9	66.2	0	0	0	111.4	G128 T129 N134	G128-L132 CarbonylContact C-O 3.52Å; G128-L132 WeakPolarHBondContact CA-O 3.45Å; T129-L132 PolarHBondContact N-O 2.97Å; T129-L132 VanDerWaalsContact N-O 3.09Å; T129-L132 CarbonylContact O-C 3.54Å; T129-L132 VanDerWaalsContact O-C 3.29Å; T129-L132 PolarHBondContact O-N 3.06Å; T129-L132 VanDerWaalsContact O-O 3.05Å; L132-N134 PolarHBondContact O-N 3.12Å
133	N	89.3	Confident	89.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-83.4	107.5	164.9	178.3	-9.2	0	0	0	110	K135 T136 N137 S138 E140 T155 C156	N133-K135 PolarHBondContact O-N 3.35Å; N133-K135 PolarHBondContact OD1-N 2.96Å; N133-T136 WeakPolarHBondContact CB-OG1 3.33Å; N133-T136 PolarHBondContact ND2-OG1 2.99Å; N133-T136 PolarHBondContact O-N 2.89Å; N133-N137 WeakPolarHBondContact O-CA 3.48Å; N133-N137 PolarHBondContact O-N 3.31Å; N133-S138 WeakPolarHBondContact CB-O 3.29Å; N133-S138 PolarHBondContact N-O 2.95Å; N133-E140 PolarHBondContact ND2-OE2 3.08Å; N133-T155 PolarHBondContact ND2-OG1 2.62Å; N133-C156 PolarHBondContact OD1-SG 3.3Å
134	N	86.7	Confident	89.7	Confident	76 Å²	76	57.6 Å²	57.6	41%	0.406	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-0.4	-177.1	-61.6	-15.5	0	0	0	115.3	C126 G128 L132	C126-N134 HydrophobicContact CB-CB 4.16Å; C126-N134 WeakPolarHBondContact O-CB 3.27Å; C126-N134 PolarHBondContact O-ND2 3.42Å; G128-N134 PolarHBondContact N-ND2 3.03Å; L132-N134 PolarHBondContact O-N 3.12Å
135	K	86.8	Confident	90	Very high	127 Å²	127	55.6 Å²	55.6	55%	0.552	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-19.1	172.7	-67.7	-176.4	-172.4	164.9	0	114.4	L125 C126 N133	L125-K135 WeakPolarHBondContact O-CE 3.42Å; L125-K135 PolarHBondContact O-NZ 2.91Å; C126-K135 HydrophobicContact CB-CD 4.2Å; C126-K135 HydrophobicContact CB-CG 3.91Å; N133-K135 PolarHBondContact O-N 3.35Å; N133-K135 PolarHBondContact OD1-N 2.96Å
136	T	88.5	Confident	90	Very high	65 Å²	65	51.9 Å²	51.9	40%	0.399	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-10.3	-178.9	60.3	0	0	0	0	112.9	N133 S138	N133-T136 WeakPolarHBondContact CB-OG1 3.33Å; N133-T136 PolarHBondContact ND2-OG1 2.99Å; N133-T136 PolarHBondContact O-N 2.89Å; T136-S138 PolarHBondContact O-N 3.28Å; T136-S138 PolarHBondContact OG1-OG 3.38Å
137	N	86.7	Confident	89.9	Confident	133 Å²	133	53.8 Å²	53.8	71%	0.711	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	33.1	-172.7	-63.5	-18.3	0	0	0	113.5	N133	N133-N137 WeakPolarHBondContact O-CA 3.48Å; N133-N137 PolarHBondContact O-N 3.31Å
138	S	87.9	Confident	89.9	Confident	53 Å²	53	49.6 Å²	49.6	37%	0.371	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-126	154.6	178.7	65.9	0	0	0	0	111.4	N133 T136	N133-S138 WeakPolarHBondContact CB-O 3.29Å; N133-S138 PolarHBondContact N-O 2.95Å; T136-S138 PolarHBondContact O-N 3.28Å; T136-S138 PolarHBondContact OG1-OG 3.38Å
139	A	89.9	Confident	90.1	Very high	74 Å²	74	49.5 Å²	49.5	61%	0.612	27%	0.27	S	S	*	.			trans	-70.8	142.2	166.6	0	0	0	0	0	110.3	S130 E131	S130-A139 WeakPolarHBondContact O-CA 3.46Å; E131-A139 WeakPolarHBondContact O-CA 3.22Å; E131-A139 WeakPolarHBondContact O-CB 3.29Å
140	E	89.4	Confident	90.1	Very high	35 Å²	35	52.3 Å²	52.3	16%	0.164	28%	0.281	C	S	.	.			trans	-158.8	128	-176.4	-169.7	-176	159.8	0	0	109.4	S130 N133 M142 H153 P154 T155	S130-E140 WeakPolarHBondContact CA-O 3.44Å; S130-E140 PolarHBondContact O-N 3.24Å; N133-E140 PolarHBondContact ND2-OE2 3.08Å; E140-M142 PolarHBondContact O-N 3.33Å; E140-H153 HydrophobicContact CG-CB 4.43Å; E140-H153 PolarHBondContact O-CD2 2.98Å; E140-P154 WeakPolarHBondContact OE1-CA 3.27Å; E140-P154 VanDerWaalsContact OE1-CB 3.3Å; E140-P154 WeakPolarHBondContact OE1-CB 3.38Å; E140-P154 WeakPolarHBondContact OE1-CD 3.45Å; E140-P154 WeakPolarHBondContact OE1-CG 3.47Å; E140-P154 VanDerWaalsContact OE1-N 3.14Å; E140-T155 WeakPolarHBondContact OE1-CG2 3.29Å; E140-T155 PolarHBondContact OE1-N 3.16Å; E140-T155 PolarHBondContact OE1-OG1 2.86Å; E140-T155 WeakPolarHBondContact OE2-CG2 3.43Å; E140-T155 PolarHBondContact OE2-OG1 2.92Å
141	E	90.1	Very high	90.2	Very high	104 Å²	104	52 Å²	52	49%	0.486	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-61.7	131.7	178.8	-70.2	-162.5	128.7	0	0	111.1	P154 K267	E141-P154 WeakPolarHBondContact O-CD 3.22Å; E141-K267 IonicContact OE1-NZ 2.64Å; E141-K267 PolarHBondContact OE1-NZ 3.19Å; E141-K267 IonicContact OE2-NZ 2.74Å; E141-K267 PolarHBondContact OE2-NZ 2.99Å
142	M	92.1	Very high	90.3	Very high	10 Å²	10	47 Å²	47	5%	0.049	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-89.7	145.3	179.9	-67	-171.3	-61.2	0	0	112.3	P121 C123 E140 A270 N271	P121-M142 VanDerWaalsContact C-CE 3.5Å; C123-M142 HydrophobicContact CB-SD 3.94Å; E140-M142 PolarHBondContact O-N 3.33Å; M142-A270 HydrophobicContact CB-CB 4.34Å; M142-A270 WeakPolarHBondContact CE-O 3.44Å; M142-N271 PolarHBondContact N-OD1 3.08Å
143	I	93	Very high	90.6	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.051	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.6	174.6	-50	-178.1	0	0	0	108.5	S151 G152 P154 V164 I167 T168 W172	I143-S151 CarbonylContact O-C 3.49Å; I143-S151 VanDerWaalsContact O-CA 3.24Å; I143-S151 WeakPolarHBondContact O-CA 3.06Å; I143-G152 PolarHBondContact N-O 3.49Å; I143-G152 PolarHBondContact O-N 3.07Å; I143-P154 HydrophobicContact CD1-CG 4.04Å; I143-P154 HydrophobicContact CG1-CG 4.19Å; I143-V164 HydrophobicContact CD1-CB 4.41Å; I143-V164 HydrophobicContact CD1-CG1 3.94Å; I143-V164 HydrophobicContact CD1-CG2 4.11Å; I143-I167 HydrophobicContact CD1-CD1 3.59Å; I143-I167 HydrophobicContact CD1-CG1 3.98Å; I143-I167 HydrophobicContact CG2-CD1 4.45Å; I143-I167 HydrophobicContact CG2-CG1 4.45Å; I143-T168 HydrophobicContact CG1-CG2 4.41Å; I143-W172 HydrophobicContact CG2-CD2 4.28Å; I143-W172 HydrophobicContact CG2-CE3 3.85Å; I143-W172 HydrophobicContact CG2-CZ3 4.11Å
144	A	93.2	Very high	90.7	Very high	4 Å²	4	44 Å²	44	3%	0.033	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141.5	-178	0	0	0	0	0	112.7	V119 Q150 M266 A270	V119-A144 HydrophobicContact CB-CB 4.39Å; V119-A144 HydrophobicContact CG1-CB 3.55Å; V119-A144 HydrophobicContact CG2-CB 3.96Å; A144-Q150 WeakPolarHBondContact CA-O 3.43Å; A144-M266 HydrophobicContact CB-CE 3.99Å; A144-M266 WeakPolarHBondContact O-CE 3.47Å; A144-A270 HydrophobicContact CB-CB 4.42Å
145	C	94	Very high	91	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.014	24%	0.242	C	C	.	.			trans	-74.2	129.9	173.5	175.4	0	0	0	0	111.5	E147 C148 G149 Q150 W172 C174	C145-E147 VanDerWaalsContact C-N 3.26Å; C145-E147 PolarHBondContact O-N 3.34Å; C145-C148 VanDerWaalsContact CB-SG 3.51Å; C145-C148 PolarHBondContact SG-SG 3.32Å; C145-G149 WeakPolarHBondContact O-CA 3.38Å; C145-G149 PolarHBondContact O-N 2.97Å; C145-Q150 PolarHBondContact N-O 3.09Å; C145-W172 HydrophobicContact CB-CE3 4.39Å; C145-W172 HydrophobicContact CB-CZ3 4.15Å; C145-C174 HydrophobicContact CB-CB 3.96Å; C145-C174 PolarHBondContact SG-N 2.96Å
146	W	91.9	Very high	91.3	Very high	12 Å²	12	37.9 Å²	37.9	5%	0.045	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.7	179.9	-171.9	-92.1	0	0	0	113.5	R114 P116 S117 R171 W172 L173 L258 E262 M266	R114-W146 PolarHBondContact O-NE1 3.22Å; P116-W146 HydrophobicContact CB-CD2 3.95Å; P116-W146 HydrophobicContact CB-CE3 4.01Å; P116-W146 HydrophobicContact CB-CH2 3.88Å; P116-W146 HydrophobicContact CB-CZ2 3.85Å; P116-W146 HydrophobicContact CB-CZ3 3.98Å; P116-W146 HydrophobicContact CG-CH2 3.91Å; P116-W146 HydrophobicContact CG-CZ2 4.07Å; P116-W146 HydrophobicContact CG-CZ3 4.33Å; S117-W146 PolarHBondContact N-O 2.88Å; W146-R171 HydrophobicContact CB-CB 4.22Å; W146-R171 HydrophobicContact CD2-CB 3.88Å; W146-R171 HydrophobicContact CD2-CG 3.67Å; W146-R171 HydrophobicContact CE3-CB 4.17Å; W146-R171 HydrophobicContact CE3-CG 3.75Å; W146-R171 HydrophobicContact CG-CB 3.88Å; W146-R171 HydrophobicContact CG-CG 4.19Å; W146-R171 HydrophobicContact CH2-CG 4.33Å; W146-R171 HydrophobicContact CZ2-CG 4.23Å; W146-R171 VanDerWaalsContact CZ2-NE 3.29Å; W146-R171 HydrophobicContact CZ3-CG 4.09Å; W146-W172 WeakPolarHBondContact CB-O 3.47Å; W146-W172 PolarHBondContact N-O 3.4Å; W146-L173 HydrophobicContact CB-CD2 4.28Å; W146-L258 HydrophobicContact CE3-CD1 4.39Å; W146-L258 HydrophobicContact CZ3-CD1 4.19Å; W146-L258 HydrophobicContact CZ3-CD2 4.26Å; W146-L258 HydrophobicContact CZ3-CG 4.13Å; W146-E262 HydrophobicContact CH2-CG 4.33Å; W146-E262 VanDerWaalsContact CH2-OE1 3.24Å; W146-E262 WeakPolarHBondContact CH2-OE1 3.41Å; W146-M266 HydrophobicContact CE3-CE 4.43Å; W146-M266 HydrophobicContact CE3-SD 3.51Å; W146-M266 VanDerWaalsContact CE3-SD 3.51Å; W146-M266 HydrophobicContact CZ3-SD 3.65Å
147	E	89	Confident	91.4	Very high	58 Å²	58	37.1 Å²	37.1	27%	0.271	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-33.8	-171.6	-76.2	-163.7	151.2	0	0	116.1	S117 C145 L173 R179	S117-E147 VanDerWaalsContact CB-O 3.25Å; S117-E147 WeakPolarHBondContact CB-O 3.4Å; S117-E147 PolarHBondContact OG-O 2.9Å; C145-E147 VanDerWaalsContact C-N 3.26Å; C145-E147 PolarHBondContact O-N 3.34Å; E147-L173 HydrophobicContact CB-CD2 4.06Å; E147-L173 HydrophobicContact CG-CD2 3.75Å; E147-R179 VanDerWaalsContact CD-NH1 3.34Å; E147-R179 IonicContact OE1-CZ 3.3Å; E147-R179 IonicContact OE1-NH1 2.82Å; E147-R179 PolarHBondContact OE1-NH1 3.38Å; E147-R179 IonicContact OE1-NH2 3.98Å; E147-R179 PolarHBondContact OE1-NH2 3.28Å; E147-R179 IonicContact OE2-CZ 2.69Å; E147-R179 IonicContact OE2-NH1 2.71Å; E147-R179 PolarHBondContact OE2-NH1 3.45Å; E147-R179 IonicContact OE2-NH2 3.44Å; E147-R179 PolarHBondContact OE2-NH2 3.05Å
148	C	90.7	Very high	91.5	Very high	48 Å²	48	36.8 Å²	36.8	32%	0.324	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-11.2	178.1	68.8	0	0	0	0	113.9	C145 Q150 C174	C145-C148 VanDerWaalsContact CB-SG 3.51Å; C145-C148 PolarHBondContact SG-SG 3.32Å; C148-Q150 PolarHBondContact O-N 3.36Å; C148-Q150 VanDerWaalsContact O-N 3.15Å; C148-Q150 VanDerWaalsContact SG-CB 3.58Å; C148-C174 PolarHBondContact SG-SG 3.21Å
149	G	91.6	Very high	91.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.			trans	71.6	-3.1	-178.9	0	0	0	0	0	115.4	I120 C145 S151	I120-G149 PolarHBondContact N-O 2.89Å; C145-G149 WeakPolarHBondContact O-CA 3.38Å; C145-G149 PolarHBondContact O-N 2.97Å; G149-S151 PolarHBondContact O-N 3.1Å
150	Q	91.7	Very high	91.5	Very high	87 Å²	87	36 Å²	36	41%	0.407	19%	0.187	S	C	.	.			trans	-54.3	134.3	170.2	-76.1	-78.2	12.2	0	0	110.4	A144 C145 C148	A144-Q150 WeakPolarHBondContact CA-O 3.43Å; C145-Q150 PolarHBondContact N-O 3.09Å; C148-Q150 PolarHBondContact O-N 3.36Å; C148-Q150 VanDerWaalsContact O-N 3.15Å; C148-Q150 VanDerWaalsContact SG-CB 3.58Å
151	S	92.8	Very high	91.5	Very high	8 Å²	8	38.4 Å²	38.4	6%	0.056	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	158.8	176.5	-57.5	0	0	0	0	111.9	V119 I120 C123 G124 I143 G149	V119-S151 WeakPolarHBondContact CG1-OG 3.18Å; I120-S151 WeakPolarHBondContact O-CB 3.43Å; I120-S151 PolarHBondContact O-OG 3.39Å; C123-S151 WeakPolarHBondContact CA-O 3.32Å; G124-S151 PolarHBondContact N-O 3.43Å; I143-S151 CarbonylContact O-C 3.49Å; I143-S151 VanDerWaalsContact O-CA 3.24Å; I143-S151 WeakPolarHBondContact O-CA 3.06Å; G149-S151 PolarHBondContact O-N 3.1Å
152	G	92.4	Very high	91.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	153.6	166	0	0	0	0	0	113.7	C123 I143	C123-G152 VanDerWaalsContact SG-CA 3.57Å; I143-G152 PolarHBondContact N-O 3.49Å; I143-G152 PolarHBondContact O-N 3.07Å
153	H	94.5	Very high	91.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.			trans	-65.3	137.2	170.1	-54.5	103.9	0	0	0	110.5	C123 C126 T129 E140 T155 C156 L157	C123-H153 VanDerWaalsContact CB-CE1 3.45Å; C123-H153 WeakPolarHBondContact CB-CE1 3.33Å; C123-H153 VanDerWaalsContact CB-ND1 3.31Å; C123-H153 WeakPolarHBondContact CB-ND1 3.24Å; C126-H153 VanDerWaalsContact SG-CE1 3.54Å; C126-H153 PolarHBondContact SG-ND1 2.76Å; C126-H153 VanDerWaalsContact SG-ND1 3.4Å; T129-H153 PolarHBondContact O-CE1 3.32Å; T129-H153 PolarHBondContact O-NE2 3.18Å; E140-H153 HydrophobicContact CG-CB 4.43Å; E140-H153 PolarHBondContact O-CD2 2.98Å; H153-T155 VanDerWaalsContact C-N 3.26Å; H153-T155 PolarHBondContact O-N 2.78Å; H153-C156 HydrophobicContact CB-CB 4.03Å; H153-C156 WeakPolarHBondContact O-CB 3.35Å; H153-C156 PolarHBondContact O-N 2.93Å; H153-L157 PolarHBondContact O-N 2.93Å
154	P	92.6	Very high	91.4	Very high	17 Å²	17	38.6 Å²	38.6	11%	0.11	21%	0.212	C	C	.	.	H	α-helix	trans	-44.8	-44.9	170.9	-27.9	28.1	0	0	0	114.6	E140 E141 I143 L157 K158 M159 V164	E140-P154 WeakPolarHBondContact OE1-CA 3.27Å; E140-P154 VanDerWaalsContact OE1-CB 3.3Å; E140-P154 WeakPolarHBondContact OE1-CB 3.38Å; E140-P154 WeakPolarHBondContact OE1-CD 3.45Å; E140-P154 WeakPolarHBondContact OE1-CG 3.47Å; E140-P154 VanDerWaalsContact OE1-N 3.14Å; E141-P154 WeakPolarHBondContact O-CD 3.22Å; I143-P154 HydrophobicContact CD1-CG 4.04Å; I143-P154 HydrophobicContact CG1-CG 4.19Å; P154-L157 CarbonylContact O-C 3.29Å; P154-L157 PolarHBondContact O-N 3.48Å; P154-K158 WeakPolarHBondContact O-CA 3.4Å; P154-K158 PolarHBondContact O-N 3.11Å; P154-M159 PolarHBondContact O-N 3.12Å; P154-V164 HydrophobicContact CB-CG2 3.78Å; P154-V164 HydrophobicContact CG-CG1 4.38Å; P154-V164 HydrophobicContact CG-CG2 4.13Å
155	T	92.7	Very high	91.2	Very high	69 Å²	69	45 Å²	45	42%	0.423	24%	0.239	S	C	.	.	H	α-helix	trans	-66.2	-40	176.9	58.3	0	0	0	0	112.7	N133 E140 H153 L157 K158	N133-T155 PolarHBondContact ND2-OG1 2.62Å; E140-T155 WeakPolarHBondContact OE1-CG2 3.29Å; E140-T155 PolarHBondContact OE1-N 3.16Å; E140-T155 PolarHBondContact OE1-OG1 2.86Å; E140-T155 WeakPolarHBondContact OE2-CG2 3.43Å; E140-T155 PolarHBondContact OE2-OG1 2.92Å; H153-T155 VanDerWaalsContact C-N 3.26Å; H153-T155 PolarHBondContact O-N 2.78Å; T155-L157 VanDerWaalsContact C-N 3.34Å; T155-K158 PolarHBondContact O-N 2.9Å; T155-K158 VanDerWaalsContact O-N 3.17Å
156	C	92.4	Very high	91.1	Very high	6 Å²	6	50.5 Å²	50.5	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-41	174.9	-80.4	0	0	0	0	111.9	L125 N133 H153 K158	L125-C156 HydrophobicContact CB-CB 4.09Å; L125-C156 HydrophobicContact CD1-CB 4.22Å; L125-C156 WeakPolarHBondContact CD1-O 3.37Å; N133-C156 PolarHBondContact OD1-SG 3.3Å; H153-C156 HydrophobicContact CB-CB 4.03Å; H153-C156 WeakPolarHBondContact O-CB 3.35Å; H153-C156 PolarHBondContact O-N 2.93Å; C156-K158 VanDerWaalsContact C-N 3.28Å
157	L	90.1	Very high	91.1	Very high	50 Å²	50	50 Å²	50	26%	0.262	26%	0.258	S	S	.	.	H	α-helix	trans	-77.6	-12	175.5	-66.7	168.6	0	0	0	113.1	L125 H153 P154 T155 M159 W172	L125-L157 HydrophobicContact CD1-CD2 3.81Å; L125-L157 HydrophobicContact CD1-CG 4.37Å; H153-L157 PolarHBondContact O-N 2.93Å; P154-L157 CarbonylContact O-C 3.29Å; P154-L157 PolarHBondContact O-N 3.48Å; T155-L157 VanDerWaalsContact C-N 3.34Å; L157-M159 VanDerWaalsContact C-N 3.32Å; L157-M159 HydrophobicContact CB-CG 3.72Å; L157-W172 HydrophobicContact CD1-CH2 4.09Å
158	K	90	Very high	91.2	Very high	126 Å²	126	49.5 Å²	49.5	55%	0.548	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	31.4	178.8	-55.7	156.9	-165.1	-174.1	0	113.2	P154 T155 C156	P154-K158 WeakPolarHBondContact O-CA 3.4Å; P154-K158 PolarHBondContact O-N 3.11Å; T155-K158 PolarHBondContact O-N 2.9Å; T155-K158 VanDerWaalsContact O-N 3.17Å; C156-K158 VanDerWaalsContact C-N 3.28Å
159	M	88.1	Confident	91.2	Very high	36 Å²	36	49.2 Å²	49.2	18%	0.177	26%	0.257	C	S	.	.			trans	-87.1	129.6	-177.5	-55.7	-61.1	-95.5	0	0	111.2	P154 L157 L163 V164 I167 D210	P154-M159 PolarHBondContact O-N 3.12Å; L157-M159 VanDerWaalsContact C-N 3.32Å; L157-M159 HydrophobicContact CB-CG 3.72Å; M159-L163 HydrophobicContact CE-CD2 3.46Å; M159-L163 VanDerWaalsContact CE-CD2 3.46Å; M159-L163 HydrophobicContact CE-CG 4.02Å; M159-L163 HydrophobicContact SD-CD2 4.1Å; M159-V164 HydrophobicContact CB-CG2 4.02Å; M159-I167 HydrophobicContact CE-CD1 3.7Å; M159-I167 HydrophobicContact CG-CD1 4.46Å; M159-D210 HydrophobicContact CE-CB 4.18Å; M159-D210 VanDerWaalsContact CE-OD2 3.26Å; M159-D210 WeakPolarHBondContact CE-OD2 3.41Å
160	P	88.8	Confident	91.3	Very high	73 Å²	73	50.1 Å²	50.1	47%	0.474	26%	0.262	S	S	.	.			trans	-70.6	151.4	175.4	28.7	-33.8	0	0	0	111.7	D162 L163 V164	P160-D162 VanDerWaalsContact C-N 3.27Å; P160-D162 PolarHBondContact O-N 2.88Å; P160-D162 VanDerWaalsContact O-N 3.16Å; P160-L163 HydrophobicContact CG-CB 3.85Å; P160-L163 WeakPolarHBondContact O-CA 3.42Å; P160-L163 WeakPolarHBondContact O-CB 3.38Å; P160-L163 PolarHBondContact O-N 3.34Å; P160-V164 WeakPolarHBondContact O-CG2 3.35Å; P160-V164 PolarHBondContact O-N 3.18Å
161	P	89.2	Confident	91.3	Very high	87 Å²	87	47.5 Å²	47.5	57%	0.565	25%	0.248	S	C	*	.	H	α-helix	trans	-60.7	-31.1	-171.3	23	-34.1	0	0	0	114	L163 V164 K165	P161-L163 VanDerWaalsContact C-N 3.3Å; P161-L163 PolarHBondContact O-N 2.66Å; P161-V164 WeakPolarHBondContact O-CB 3.25Å; P161-V164 PolarHBondContact O-N 3.08Å; P161-K165 WeakPolarHBondContact O-CG 3.3Å; P161-K165 PolarHBondContact O-N 3.13Å
162	D	88.7	Confident	91.3	Very high	82 Å²	82	47.9 Å²	47.9	44%	0.439	25%	0.249	S	C	.	.	H	α-helix	trans	-79.3	-12.7	178	-56.3	-59	0	0	0	114.1	P160 K165 R166	P160-D162 VanDerWaalsContact C-N 3.27Å; P160-D162 PolarHBondContact O-N 2.88Å; P160-D162 VanDerWaalsContact O-N 3.16Å; D162-K165 IonicContact OD1-NZ 3.08Å; D162-K165 PolarHBondContact OD1-NZ 3.48Å; D162-R166 PolarHBondContact O-NE 3.46Å; D162-R166 VanDerWaalsContact O-NE 3.15Å
163	L	91.9	Very high	91.3	Very high	15 Å²	15	49.1 Å²	49.1	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-84.7	-41.4	163.6	-175.2	56.3	0	0	0	110.1	M159 P160 P161 K165 R166 I167 D210	M159-L163 HydrophobicContact CE-CD2 3.46Å; M159-L163 VanDerWaalsContact CE-CD2 3.46Å; M159-L163 HydrophobicContact CE-CG 4.02Å; M159-L163 HydrophobicContact SD-CD2 4.1Å; P160-L163 HydrophobicContact CG-CB 3.85Å; P160-L163 WeakPolarHBondContact O-CA 3.42Å; P160-L163 WeakPolarHBondContact O-CB 3.38Å; P160-L163 PolarHBondContact O-N 3.34Å; P161-L163 VanDerWaalsContact C-N 3.3Å; P161-L163 PolarHBondContact O-N 2.66Å; L163-K165 VanDerWaalsContact C-N 3.34Å; L163-K165 PolarHBondContact O-N 2.74Å; L163-R166 PolarHBondContact O-N 2.93Å; L163-I167 HydrophobicContact CD1-CG2 3.77Å; L163-I167 HydrophobicContact CG-CG2 4.07Å; L163-I167 WeakPolarHBondContact O-CG1 3.36Å; L163-I167 PolarHBondContact O-N 3.49Å; L163-D210 HydrophobicContact CD1-CB 4.2Å; L163-D210 HydrophobicContact CD2-CB 4.41Å
164	V	92.7	Very high	91.2	Very high	30 Å²	30	49.6 Å²	49.6	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-53	-48.2	174.5	174.9	0	0	0	0	111.7	I143 P154 M159 P160 P161 R166 I167 T168	I143-V164 HydrophobicContact CD1-CB 4.41Å; I143-V164 HydrophobicContact CD1-CG1 3.94Å; I143-V164 HydrophobicContact CD1-CG2 4.11Å; P154-V164 HydrophobicContact CB-CG2 3.78Å; P154-V164 HydrophobicContact CG-CG1 4.38Å; P154-V164 HydrophobicContact CG-CG2 4.13Å; M159-V164 HydrophobicContact CB-CG2 4.02Å; P160-V164 WeakPolarHBondContact O-CG2 3.35Å; P160-V164 PolarHBondContact O-N 3.18Å; P161-V164 WeakPolarHBondContact O-CB 3.25Å; P161-V164 PolarHBondContact O-N 3.08Å; V164-R166 PolarHBondContact O-N 3.5Å; V164-I167 PolarHBondContact O-N 2.96Å; V164-T168 HydrophobicContact CG1-CG2 4.41Å; V164-T168 WeakPolarHBondContact O-CB 3.07Å; V164-T168 WeakPolarHBondContact O-CG2 3.35Å; V164-T168 PolarHBondContact O-N 2.9Å; V164-T168 VanDerWaalsContact O-N 3.11Å; V164-T168 PolarHBondContact O-OG1 3.48Å
165	K	90.6	Very high	90.9	Very high	138 Å²	138	54.1 Å²	54.1	60%	0.6	29%	0.285	S	S	*	.	H	α-helix	trans	-56.3	-32.2	175.5	-69.3	167.8	-165	167	0	113.3	P161 D162 L163 T168	P161-K165 WeakPolarHBondContact O-CG 3.3Å; P161-K165 PolarHBondContact O-N 3.13Å; D162-K165 IonicContact OD1-NZ 3.08Å; D162-K165 PolarHBondContact OD1-NZ 3.48Å; L163-K165 VanDerWaalsContact C-N 3.34Å; L163-K165 PolarHBondContact O-N 2.74Å; K165-T168 PolarHBondContact O-OG1 2.96Å
166	R	90.1	Very high	90.6	Very high	118 Å²	118	56.7 Å²	56.7	45%	0.445	30%	0.296	S	S	.	.	H	α-helix	trans	-89.2	-42.5	-178.6	-81.5	-176.5	-88.1	-144.3	-0.3	112.8	D162 L163 V164 T168 S169 V208	D162-R166 PolarHBondContact O-NE 3.46Å; D162-R166 VanDerWaalsContact O-NE 3.15Å; L163-R166 PolarHBondContact O-N 2.93Å; V164-R166 PolarHBondContact O-N 3.5Å; R166-T168 VanDerWaalsContact C-N 3.29Å; R166-T168 PolarHBondContact O-N 3.44Å; R166-S169 PolarHBondContact O-N 3.29Å; R166-S169 VanDerWaalsContact O-N 3.14Å; R166-S169 PolarHBondContact O-OG 3.13Å; R166-V208 VanDerWaalsContact CD-O 3.28Å; R166-V208 WeakPolarHBondContact CD-O 3.43Å; R166-V208 PolarHBondContact NE-O 3.36Å; R166-V208 VanDerWaalsContact NE-O 3.17Å
167	I	92.6	Very high	90.5	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-68.5	-27.9	179.5	66.1	-170.5	0	0	0	112.6	I143 M159 L163 V164 S169 I170 W172 D210	I143-I167 HydrophobicContact CD1-CD1 3.59Å; I143-I167 HydrophobicContact CD1-CG1 3.98Å; I143-I167 HydrophobicContact CG2-CD1 4.45Å; I143-I167 HydrophobicContact CG2-CG1 4.45Å; M159-I167 HydrophobicContact CE-CD1 3.7Å; M159-I167 HydrophobicContact CG-CD1 4.46Å; L163-I167 HydrophobicContact CD1-CG2 3.77Å; L163-I167 HydrophobicContact CG-CG2 4.07Å; L163-I167 WeakPolarHBondContact O-CG1 3.36Å; L163-I167 PolarHBondContact O-N 3.49Å; V164-I167 PolarHBondContact O-N 2.96Å; I167-S169 VanDerWaalsContact C-N 3.27Å; I167-S169 PolarHBondContact O-N 2.94Å; I167-I170 PolarHBondContact O-N 2.97Å; I167-I170 VanDerWaalsContact O-O 3.05Å; I167-W172 HydrophobicContact CB-CB 4.19Å; I167-W172 HydrophobicContact CB-CG 3.95Å; I167-W172 HydrophobicContact CG2-CG 4.42Å; I167-D210 HydrophobicContact CG2-CB 3.94Å
168	T	91.7	Very high	90.5	Very high	48 Å²	48	55.8 Å²	55.8	29%	0.294	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.2	173.2	49	0	0	0	0	114.3	I143 V164 K165 R166	I143-T168 HydrophobicContact CG1-CG2 4.41Å; V164-T168 HydrophobicContact CG1-CG2 4.41Å; V164-T168 WeakPolarHBondContact O-CB 3.07Å; V164-T168 WeakPolarHBondContact O-CG2 3.35Å; V164-T168 PolarHBondContact O-N 2.9Å; V164-T168 VanDerWaalsContact O-N 3.11Å; V164-T168 PolarHBondContact O-OG1 3.48Å; K165-T168 PolarHBondContact O-OG1 2.96Å; R166-T168 VanDerWaalsContact C-N 3.29Å; R166-T168 PolarHBondContact O-N 3.44Å
169	S	91.1	Very high	90.5	Very high	42 Å²	42	51 Å²	51	29%	0.294	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-2	174.3	71.3	0	0	0	0	115	R166 I167 L258	R166-S169 PolarHBondContact O-N 3.29Å; R166-S169 VanDerWaalsContact O-N 3.14Å; R166-S169 PolarHBondContact O-OG 3.13Å; I167-S169 VanDerWaalsContact C-N 3.27Å; I167-S169 PolarHBondContact O-N 2.94Å; S169-L258 PolarHBondContact O-N 3.38Å
170	I	92	Very high	90.6	Very high	18 Å²	18	49.3 Å²	49.3	9%	0.092	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-130.3	162.5	-176.8	65.6	175.1	0	0	0	111.8	I167 W172 C209 D256 L258	I167-I170 PolarHBondContact O-N 2.97Å; I167-I170 VanDerWaalsContact O-O 3.05Å; I170-W172 PolarHBondContact O-N 2.73Å; I170-C209 HydrophobicContact CD1-CB 4.31Å; I170-C209 WeakPolarHBondContact CD1-O 3.27Å; I170-D256 CarbonylContact C-O 3.27Å; I170-D256 WeakPolarHBondContact CA-O 3.48Å; I170-D256 WeakPolarHBondContact CB-O 3.3Å; I170-L258 WeakPolarHBondContact O-CD1 3.37Å
171	R	92.6	Very high	90.6	Very high	32 Å²	32	46.2 Å²	46.2	12%	0.121	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	66	178.8	-64.5	-172.6	173.7	76.4	18	110.4	W146 C255 D256 Q257 L258 E262	W146-R171 HydrophobicContact CB-CB 4.22Å; W146-R171 HydrophobicContact CD2-CB 3.88Å; W146-R171 HydrophobicContact CD2-CG 3.67Å; W146-R171 HydrophobicContact CE3-CB 4.17Å; W146-R171 HydrophobicContact CE3-CG 3.75Å; W146-R171 HydrophobicContact CG-CB 3.88Å; W146-R171 HydrophobicContact CG-CG 4.19Å; W146-R171 HydrophobicContact CH2-CG 4.33Å; W146-R171 HydrophobicContact CZ2-CG 4.23Å; W146-R171 VanDerWaalsContact CZ2-NE 3.29Å; W146-R171 HydrophobicContact CZ3-CG 4.09Å; R171-C255 PolarHBondContact NH1-O 3.06Å; R171-D256 PolarHBondContact N-O 2.84Å; R171-Q257 PolarHBondContact NH1-O 3.33Å; R171-Q257 PolarHBondContact NH2-O 3.42Å; R171-L258 HydrophobicContact CB-CD1 4.26Å; R171-L258 HydrophobicContact CG-CD1 3.5Å; R171-L258 VanDerWaalsContact CG-CD1 3.5Å; R171-L258 VanDerWaalsContact N-CD1 3.25Å; R171-E262 IonicContact CZ-OE1 3.89Å; R171-E262 IonicContact NE-OE1 3.44Å; R171-E262 IonicContact NH2-OE1 3.58Å; R171-E262 PolarHBondContact NH2-OE1 3.15Å; R171-E262 IonicContact NH2-OE2 2.73Å; R171-E262 PolarHBondContact NH2-OE2 3.34Å
172	W	93.5	Very high	90.5	Very high	17 Å²	17	42.6 Å²	42.6	6%	0.064	22%	0.218	C	C	.	.			trans	-63	146.6	-174.1	178	81.1	0	0	0	112	I143 C145 W146 L157 I167 I170 C174 D210	I143-W172 HydrophobicContact CG2-CD2 4.28Å; I143-W172 HydrophobicContact CG2-CE3 3.85Å; I143-W172 HydrophobicContact CG2-CZ3 4.11Å; C145-W172 HydrophobicContact CB-CE3 4.39Å; C145-W172 HydrophobicContact CB-CZ3 4.15Å; W146-W172 WeakPolarHBondContact CB-O 3.47Å; W146-W172 PolarHBondContact N-O 3.4Å; L157-W172 HydrophobicContact CD1-CH2 4.09Å; I167-W172 HydrophobicContact CB-CB 4.19Å; I167-W172 HydrophobicContact CB-CG 3.95Å; I167-W172 HydrophobicContact CG2-CG 4.42Å; I170-W172 PolarHBondContact O-N 2.73Å; W172-C174 HydrophobicContact CH2-CB 4Å; W172-C174 HydrophobicContact CZ3-CB 4.29Å; W172-D210 PolarHBondContact NE1-OD2 3.34Å
173	L	92.4	Very high	90.4	Very high	25 Å²	25	41.4 Å²	41.4	13%	0.131	22%	0.216	C	C	.	.			trans	-123.4	132.2	-177.2	-57	174.7	0	0	0	108.1	W146 E147 C177 K178 R179	W146-L173 HydrophobicContact CB-CD2 4.28Å; E147-L173 HydrophobicContact CB-CD2 4.06Å; E147-L173 HydrophobicContact CG-CD2 3.75Å; L173-C177 HydrophobicContact CB-CB 3.94Å; L173-C177 WeakPolarHBondContact CD1-O 3.23Å; L173-C177 HydrophobicContact CD2-CB 4.33Å; L173-K178 VanDerWaalsContact O-CE 3.31Å; L173-K178 WeakPolarHBondContact O-CE 3.39Å; L173-K178 PolarHBondContact O-NZ 2.85Å; L173-R179 HydrophobicContact CD1-CG 4.18Å
174	C	92.1	Very high	89.9	Confident	11 Å²	11	41.4 Å²	41.4	7%	0.074	22%	0.215	C	C	.	.			trans	-64.4	169.8	170.9	67.1	0	0	0	0	111.2	C145 C148 W172 D176 C177 K178	C145-C174 HydrophobicContact CB-CB 3.96Å; C145-C174 PolarHBondContact SG-N 2.96Å; C148-C174 PolarHBondContact SG-SG 3.21Å; W172-C174 HydrophobicContact CH2-CB 4Å; W172-C174 HydrophobicContact CZ3-CB 4.29Å; C174-D176 VanDerWaalsContact C-N 3.25Å; C174-D176 PolarHBondContact O-N 2.91Å; C174-D176 PolarHBondContact SG-OD2 3.03Å; C174-C177 CarbonylContact O-C 3.56Å; C174-C177 WeakPolarHBondContact O-CA 3.48Å; C174-C177 PolarHBondContact O-N 3.33Å; C174-K178 WeakPolarHBondContact O-CG 3.45Å; C174-K178 PolarHBondContact O-N 3.18Å
175	V	86.8	Confident	89.3	Confident	112 Å²	112	41.4 Å²	41.4	68%	0.679	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-49.1	-44.9	-178.5	64.9	0	0	0	0	112.6	C177 K178	V175-C177 VanDerWaalsContact C-N 3.29Å; V175-C177 PolarHBondContact O-N 3.11Å; V175-K178 WeakPolarHBondContact O-CB 3.26Å; V175-K178 WeakPolarHBondContact O-CG 3.3Å; V175-K178 PolarHBondContact O-N 3.32Å
176	D	85.6	Confident	88.4	Confident	122 Å²	122	38.4 Å²	38.4	65%	0.652	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-71	-23.5	-177.9	-25.5	-93.5	0	0	0	113	C174	C174-D176 VanDerWaalsContact C-N 3.25Å; C174-D176 PolarHBondContact O-N 2.91Å; C174-D176 PolarHBondContact SG-OD2 3.03Å
177	C	90.1	Very high	86.8	Confident	20 Å²	20	36 Å²	36	14%	0.135	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-98.1	-2.3	178	-64.5	0	0	0	0	112.8	L173 C174 V175 R179	L173-C177 HydrophobicContact CB-CB 3.94Å; L173-C177 WeakPolarHBondContact CD1-O 3.23Å; L173-C177 HydrophobicContact CD2-CB 4.33Å; C174-C177 CarbonylContact O-C 3.56Å; C174-C177 WeakPolarHBondContact O-CA 3.48Å; C174-C177 PolarHBondContact O-N 3.33Å; V175-C177 VanDerWaalsContact C-N 3.29Å; V175-C177 PolarHBondContact O-N 3.11Å; C177-R179 PolarHBondContact O-N 2.91Å
178	K	89.6	Confident	84.8	Confident	17 Å²	17	44.2 Å²	44.2	7%	0.074	25%	0.247	C	C	.	.			trans	-59.7	138.9	178.6	-67.1	-61.8	-171.2	-158.8	0	110.6	L173 C174 V175 N186 L203 L205 D210	L173-K178 VanDerWaalsContact O-CE 3.31Å; L173-K178 WeakPolarHBondContact O-CE 3.39Å; L173-K178 PolarHBondContact O-NZ 2.85Å; C174-K178 WeakPolarHBondContact O-CG 3.45Å; C174-K178 PolarHBondContact O-N 3.18Å; V175-K178 WeakPolarHBondContact O-CB 3.26Å; V175-K178 WeakPolarHBondContact O-CG 3.3Å; V175-K178 PolarHBondContact O-N 3.32Å; K178-N186 PolarHBondContact O-ND2 2.63Å; K178-N186 PolarHBondContact O-OD1 2.95Å; K178-L203 HydrophobicContact CB-CD2 3.56Å; K178-L205 HydrophobicContact CD-CD2 3.97Å; K178-L205 HydrophobicContact CG-CD2 4.1Å; K178-D210 WeakPolarHBondContact CE-OD1 3.46Å; K178-D210 PolarHBondContact NZ-O 3.44Å; K178-D210 IonicContact NZ-OD1 3.71Å; K178-D210 PolarHBondContact NZ-OD1 3.21Å; K178-D210 IonicContact NZ-OD2 2.56Å; K178-D210 PolarHBondContact NZ-OD2 2.77Å
179	R	90	Very high	82.8	Confident	26 Å²	26	48.5 Å²	48.5	10%	0.098	27%	0.268	C	S	.	.			trans	-144.7	158.4	176	58.7	168.2	154.5	-93.6	5.5	109.9	E147 L173 C177 C181 N186	E147-R179 VanDerWaalsContact CD-NH1 3.34Å; E147-R179 IonicContact OE1-CZ 3.3Å; E147-R179 IonicContact OE1-NH1 2.82Å; E147-R179 PolarHBondContact OE1-NH1 3.38Å; E147-R179 IonicContact OE1-NH2 3.98Å; E147-R179 PolarHBondContact OE1-NH2 3.28Å; E147-R179 IonicContact OE2-CZ 2.69Å; E147-R179 IonicContact OE2-NH1 2.71Å; E147-R179 PolarHBondContact OE2-NH1 3.45Å; E147-R179 IonicContact OE2-NH2 3.44Å; E147-R179 PolarHBondContact OE2-NH2 3.05Å; L173-R179 HydrophobicContact CD1-CG 4.18Å; C177-R179 PolarHBondContact O-N 2.91Å; R179-C181 PolarHBondContact O-N 3.08Å; R179-N186 WeakPolarHBondContact CB-OD1 3.3Å
180	C	91.2	Very high	80.6	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-64.7	127.1	170	173.9	0	0	0	0	110.6	L182 C183 Q184 S185 L203 G212 H214 C217	C180-L182 PolarHBondContact O-N 3.23Å; C180-C183 WeakPolarHBondContact CB-SG 3.33Å; C180-Q184 WeakPolarHBondContact O-CA 3.35Å; C180-Q184 PolarHBondContact O-N 3.14Å; C180-S185 PolarHBondContact N-O 2.98Å; C180-S185 VanDerWaalsContact N-O 3.14Å; C180-L203 HydrophobicContact CB-CD1 3.72Å; C180-G212 CarbonylContact C-O 3.45Å; C180-G212 WeakPolarHBondContact CA-O 3.33Å; C180-H214 WeakPolarHBondContact CB-CE1 3.44Å; C180-H214 VanDerWaalsContact CB-ND1 3.26Å; C180-H214 WeakPolarHBondContact CB-ND1 3.2Å; C180-C217 WeakPolarHBondContact SG-CB 3.35Å
181	C	88.5	Confident	78.3	Confident	9 Å²	9	61.7 Å²	61.7	6%	0.061	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-34	-178.7	-72.9	0	0	0	0	113.2	R112 R179 G212 F213 I252	R112-C181 PolarHBondContact NH2-O 3.24Å; R179-C181 PolarHBondContact O-N 3.08Å; C181-G212 PolarHBondContact N-O 2.53Å; C181-G212 PolarHBondContact SG-O 3.19Å; C181-G212 VanDerWaalsContact SG-O 3.4Å; C181-F213 HydrophobicContact CB-CD1 4.48Å; C181-F213 HydrophobicContact CB-CE1 3.98Å; C181-F213 HydrophobicContact CB-CE2 4.2Å; C181-F213 HydrophobicContact CB-CZ 3.82Å; C181-I252 HydrophobicContact CB-CD1 4.33Å; C181-I252 HydrophobicContact CB-CG2 4.2Å; C181-I252 WeakPolarHBondContact O-CD1 3.32Å
182	L	86	Confident	75.8	Confident	11 Å²	11	66.3 Å²	66.3	6%	0.058	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-32.6	-171.8	-76.4	163.2	0	0	0	114.8	C180 F213 C217 R248 L249 I252	C180-L182 PolarHBondContact O-N 3.23Å; L182-F213 HydrophobicContact CD1-CD1 3.96Å; L182-F213 HydrophobicContact CD1-CE1 3.82Å; L182-F213 HydrophobicContact CG-CD1 4.47Å; L182-F213 HydrophobicContact CG-CE1 4.15Å; L182-C217 WeakPolarHBondContact CD1-O 3.5Å; L182-R248 HydrophobicContact CD2-CB 4.12Å; L182-L249 HydrophobicContact CD1-CD2 4.16Å; L182-L249 HydrophobicContact CD2-CD2 4.04Å; L182-L249 HydrophobicContact CG-CD2 4.32Å; L182-I252 HydrophobicContact CD2-CD1 3.67Å; L182-I252 HydrophobicContact CG-CD1 4.13Å
183	C	87.4	Confident	73.1	Confident	57 Å²	57	69.8 Å²	69.8	39%	0.385	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-13.9	177.8	67.3	0	0	0	0	114.8	C180 S185 H214	C180-C183 WeakPolarHBondContact CB-SG 3.33Å; C183-S185 VanDerWaalsContact C-N 3.27Å; C183-S185 PolarHBondContact O-N 2.95Å; C183-S185 PolarHBondContact SG-OG 3.27Å; C183-S185 VanDerWaalsContact SG-OG 3.37Å; C183-H214 VanDerWaalsContact SG-CE1 3.54Å; C183-H214 PolarHBondContact SG-ND1 3.22Å
184	Q	82.3	Confident	70.7	Confident	14 Å²	14	74.6 Å²	74.6	7%	0.065	42%	0.423	C	S	.	.			trans	62.4	21.6	175.7	-49.7	-172.5	11.6	0	0	116.6	L108 C180	L108-Q184 HydrophobicContact CD2-CG 4.34Å; L108-Q184 PolarHBondContact O-NE2 3.33Å; C180-Q184 WeakPolarHBondContact O-CA 3.35Å; C180-Q184 PolarHBondContact O-N 3.14Å
185	S	80	Confident	68.3	Low	31 Å²	31	80 Å²	80	22%	0.217	45%	0.452	C	S	.	.			trans	-102.1	163.5	169	56.4	0	0	0	0	112.7	C180 C183 H214	C180-S185 PolarHBondContact N-O 2.98Å; C180-S185 VanDerWaalsContact N-O 3.14Å; C183-S185 VanDerWaalsContact C-N 3.27Å; C183-S185 PolarHBondContact O-N 2.95Å; C183-S185 PolarHBondContact SG-OG 3.27Å; C183-S185 VanDerWaalsContact SG-OG 3.37Å; S185-H214 PolarHBondContact O-CE1 2.95Å; S185-H214 PolarHBondContact OG-CE1 2.82Å
186	N	70.9	Confident	66.4	Low	74 Å²	74	84 Å²	84	40%	0.396	46%	0.46	S	S	.	.			trans	-120	61.7	177.6	-53.2	29.1	0	0	0	107.3	K178 R179 E188	K178-N186 PolarHBondContact O-ND2 2.63Å; K178-N186 PolarHBondContact O-OD1 2.95Å; R179-N186 WeakPolarHBondContact CB-OD1 3.3Å; N186-E188 VanDerWaalsContact C-N 3.27Å; N186-E188 PolarHBondContact O-N 3.45Å
187	S	56.2	Low	64.5	Low	68 Å²	68	87.5 Å²	87.5	48%	0.476	47%	0.472	S	S	.	.	S	Bend	trans	51.5	-8.6	174.8	50	0	0	0	0	123	S201	S187-S201 WeakPolarHBondContact CB-O 3.25Å; S187-S201 PolarHBondContact OG-O 2.95Å
188	E	51.6	Low	62.5	Low	174 Å²	174	90.5 Å²	90.5	81%	0.813	49%	0.487	S	S	*	.			trans	-99.1	-8.7	-175.5	-67.5	-168.9	139.3	0	0	117.4	N186 Q190	N186-E188 VanDerWaalsContact C-N 3.27Å; N186-E188 PolarHBondContact O-N 3.45Å; E188-Q190 PolarHBondContact O-N 3.29Å
189	D	48.3	Very low	60.5	Low	138 Å²	138	93.7 Å²	93.7	74%	0.738	51%	0.509	S	S	*	.	S	Bend	trans	-74.1	14.7	-164.2	-109.1	-34.1	0	0	0	116.1
190	Q	44.5	Very low	58.6	Low	180 Å²	180	94.2 Å²	94.2	84%	0.841	51%	0.513	S	S	*	.	S	Bend	trans	-139.8	131.2	171.2	-72.7	-173.7	88.8	0	0	111.7	E188	E188-Q190 PolarHBondContact O-N 3.29Å
191	N	43.8	Very low	56.9	Low	158 Å²	158	96.8 Å²	96.8	85%	0.845	53%	0.531	S	S	*	.			trans	-21.1	119.1	-176.1	-59.3	-3.8	0	0	0	116.7	S193	N191-S193 PolarHBondContact O-N 2.64Å
192	P	40.7	Very low	56.1	Low	129 Å²	129	101.6 Å²	101.6	84%	0.838	56%	0.556	S	S	*	*			trans	-70.7	116.4	173.4	29.1	-33.5	0	0	0	111
193	S	36.2	Very low	56.1	Low	89 Å²	89	102.9 Å²	102.9	62%	0.622	56%	0.562	S	S	*	*			trans	-79.9	133.5	157.3	49.2	0	0	0	0	108.8	N191 D195	N191-S193 PolarHBondContact O-N 2.64Å; S193-D195 PolarHBondContact O-N 3.06Å; S193-D195 VanDerWaalsContact O-N 3.11Å
194	P	42.7	Very low	56.1	Low	127 Å²	127	101.6 Å²	101.6	83%	0.825	55%	0.552	S	S	*	*	S	Bend	trans	-65.8	-15.5	-174.1	-23.5	35	0	0	0	115.5
195	D	40.7	Very low	56.5	Low	125 Å²	125	104.1 Å²	104.1	67%	0.668	57%	0.565	S	S	*	*	S	Bend	trans	-106.4	123.4	-169.7	-53.8	-67.3	0	0	0	112.1	S193	S193-D195 PolarHBondContact O-N 3.06Å; S193-D195 VanDerWaalsContact O-N 3.11Å
196	K	47.7	Very low	57.1	Low	195 Å²	195	102.7 Å²	102.7	85%	0.848	56%	0.555	S	S	*	*			trans	83.2	120.6	178	-51.8	168.7	-174.3	177.4	0	115.6	D198	K196-D198 PolarHBondContact O-N 3.3Å; K196-D198 VanDerWaalsContact O-N 3.13Å
197	E	45.6	Very low	58	Low	195 Å²	195	102.9 Å²	102.9	91%	0.911	56%	0.557	S	S	*	*			trans	-66.4	98.8	160.8	-60.5	172.7	161.2	0	0	108.4	P199	E197-P199 VanDerWaalsContact O-CD 3.27Å; E197-P199 WeakPolarHBondContact O-CD 3.31Å
198	D	47.5	Very low	59.6	Low	84 Å²	84	100.7 Å²	100.7	45%	0.449	54%	0.54	S	S	.	.			trans	-81.4	109.2	176.3	-175.6	20.1	0	0	0	109.6	K196 Q200 S201 K216	K196-D198 PolarHBondContact O-N 3.3Å; K196-D198 VanDerWaalsContact O-N 3.13Å; D198-Q200 PolarHBondContact O-N 3.36Å; D198-S201 WeakPolarHBondContact O-CB 3.13Å; D198-S201 PolarHBondContact O-N 2.92Å; D198-S201 PolarHBondContact O-OG 3.49Å; D198-K216 IonicContact OD2-NZ 3.49Å; D198-K216 PolarHBondContact OD2-NZ 3.09Å; D198-K216 VanDerWaalsContact OD2-NZ 3.1Å
199	P	49.1	Very low	61.5	Low	83 Å²	83	92.6 Å²	92.6	54%	0.539	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-63.7	-17.2	-171.3	-22.8	35.1	0	0	0	113.7	E197 S201 D202	E197-P199 VanDerWaalsContact O-CD 3.27Å; E197-P199 WeakPolarHBondContact O-CD 3.31Å; P199-S201 PolarHBondContact O-N 3.49Å; P199-D202 WeakPolarHBondContact O-CB 3.1Å; P199-D202 PolarHBondContact O-N 3.17Å
200	Q	49.5	Very low	63.6	Low	38 Å²	38	87 Å²	87	18%	0.178	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-80.2	9.7	176.5	-70	-178.7	-44.1	0	0	114	D198 L215 K216 M222	D198-Q200 PolarHBondContact O-N 3.36Å; Q200-L215 HydrophobicContact CG-CB 4.11Å; Q200-L215 HydrophobicContact CG-CD1 4.06Å; Q200-K216 HydrophobicContact CB-CD 3.84Å; Q200-K216 HydrophobicContact CB-CG 4.05Å; Q200-K216 HydrophobicContact CG-CG 4.3Å; Q200-M222 PolarHBondContact NE2-O 2.94Å
201	S	56.2	Low	65.9	Low	53 Å²	53	79.5 Å²	79.5	37%	0.371	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-74.3	-24.6	155.6	56.7	0	0	0	0	112.5	S187 D198 P199	S187-S201 WeakPolarHBondContact CB-O 3.25Å; S187-S201 PolarHBondContact OG-O 2.95Å; D198-S201 WeakPolarHBondContact O-CB 3.13Å; D198-S201 PolarHBondContact O-N 2.92Å; D198-S201 PolarHBondContact O-OG 3.49Å; P199-S201 PolarHBondContact O-N 3.49Å
202	D	70.8	Confident	68.1	Low	110 Å²	110	72.1 Å²	72.1	59%	0.588	40%	0.398	S	S	*	.	S	Bend	trans	-69.5	150.6	-176.6	-84.8	-34.7	0	0	0	114.1	P199	P199-D202 WeakPolarHBondContact O-CB 3.1Å; P199-D202 PolarHBondContact O-N 3.17Å
203	L	85.7	Confident	70.5	Confident	38 Å²	38	66 Å²	66	20%	0.199	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	99.6	-176.1	-168	79.8	0	0	0	110.7	K178 C180 L205 F213	K178-L203 HydrophobicContact CB-CD2 3.56Å; C180-L203 HydrophobicContact CB-CD1 3.72Å; L203-L205 HydrophobicContact CD2-CD2 4.22Å; L203-L205 PolarHBondContact O-N 3.43Å; L203-F213 CarbonylContact C-O 3.55Å; L203-F213 VanDerWaalsContact CD1-C 3.49Å
204	L	87.6	Confident	73	Confident	31 Å²	31	62.4 Å²	62.4	16%	0.162	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	125.4	176.3	-172.5	66.9	0	0	0	110.6	G212 F213 M222 P225 P226 W230	L204-G212 CarbonylContact O-C 3.57Å; L204-G212 WeakPolarHBondContact O-CA 3.5Å; L204-F213 WeakPolarHBondContact CB-O 3.34Å; L204-F213 PolarHBondContact N-O 2.88Å; L204-F213 PolarHBondContact O-N 3.29Å; L204-M222 HydrophobicContact CD2-CE 3.32Å; L204-P225 HydrophobicContact CD1-CB 4.29Å; L204-P226 HydrophobicContact CD2-CG 4.01Å; L204-W230 HydrophobicContact CD2-CD2 3.43Å; L204-W230 VanDerWaalsContact CD2-CD2 3.43Å; L204-W230 HydrophobicContact CD2-CE3 3.66Å; L204-W230 HydrophobicContact CD2-CG 3.82Å; L204-W230 HydrophobicContact CD2-CH2 4.23Å; L204-W230 HydrophobicContact CD2-CZ2 4.04Å; L204-W230 HydrophobicContact CD2-CZ3 4.04Å; L204-W230 HydrophobicContact CG-CD2 3.93Å; L204-W230 HydrophobicContact CG-CE3 3.65Å; L204-W230 HydrophobicContact CG-CG 4.4Å; L204-W230 HydrophobicContact CG-CZ3 4.02Å
205	L	90.9	Very high	75	Confident	66 Å²	66	56.6 Å²	56.6	35%	0.346	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	141	179.6	-56.5	-177.2	0	0	0	110.6	K178 L203	K178-L205 HydrophobicContact CD-CD2 3.97Å; K178-L205 HydrophobicContact CG-CD2 4.1Å; L203-L205 HydrophobicContact CD2-CD2 4.22Å; L203-L205 PolarHBondContact O-N 3.43Å
206	C	91.9	Very high	77	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.014	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-82.9	118.9	177.8	176.9	0	0	0	0	112	V208 C209 D210 R211 W230 C232	C206-V208 PolarHBondContact O-N 3.41Å; C206-C209 PolarHBondContact O-N 2.8Å; C206-C209 VanDerWaalsContact SG-SG 3.67Å; C206-D210 VanDerWaalsContact O-CA 3.26Å; C206-D210 WeakPolarHBondContact O-CA 3.27Å; C206-D210 PolarHBondContact O-N 3.37Å; C206-R211 WeakPolarHBondContact CB-O 3.5Å; C206-R211 PolarHBondContact N-O 3.1Å; C206-W230 HydrophobicContact CB-CE3 4.12Å; C206-W230 HydrophobicContact CB-CZ3 4.02Å; C206-C232 HydrophobicContact CB-CB 3.81Å; C206-C232 PolarHBondContact SG-N 2.96Å
207	D	90	Very high	78.8	Confident	78 Å²	78	47.5 Å²	47.5	42%	0.417	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18	179.6	-63.3	-63.3	0	0	0	113.9	M229 W230	D207-M229 HydrophobicContact CB-CE 4.31Å; D207-M229 VanDerWaalsContact OD2-CA 3.3Å; D207-M229 WeakPolarHBondContact OD2-CA 3.33Å; D207-W230 PolarHBondContact N-O 3.03Å; D207-W230 PolarHBondContact OD2-N 2.99Å
208	V	90.2	Very high	80.3	Confident	21 Å²	21	38.4 Å²	38.4	13%	0.127	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-25.8	-174.1	-175.3	0	0	0	0	112.9	R166 C206 T231 C235	R166-V208 VanDerWaalsContact CD-O 3.28Å; R166-V208 WeakPolarHBondContact CD-O 3.43Å; R166-V208 PolarHBondContact NE-O 3.36Å; R166-V208 VanDerWaalsContact NE-O 3.17Å; C206-V208 PolarHBondContact O-N 3.41Å; V208-T231 HydrophobicContact CB-CG2 4.34Å; V208-T231 HydrophobicContact CG2-CG2 3.87Å; V208-T231 WeakPolarHBondContact CG2-OG1 3.29Å; V208-C235 HydrophobicContact CB-CB 4.28Å; V208-C235 HydrophobicContact CG1-CB 4.03Å
209	C	91.7	Very high	81.4	Confident	4 Å²	4	39.2 Å²	39.2	3%	0.027	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-149.4	4.7	-178.3	71.8	0	0	0	0	115.7	I170 C206 R211 C235	I170-C209 HydrophobicContact CD1-CB 4.31Å; I170-C209 WeakPolarHBondContact CD1-O 3.27Å; C206-C209 PolarHBondContact O-N 2.8Å; C206-C209 VanDerWaalsContact SG-SG 3.67Å; C209-R211 PolarHBondContact O-N 2.95Å; C209-R211 VanDerWaalsContact O-N 3.11Å; C209-R211 PolarHBondContact SG-NH1 3.4Å; C209-R211 VanDerWaalsContact SG-NH1 3.37Å; C209-C235 PolarHBondContact SG-SG 3.19Å
210	D	93.1	Very high	82.6	Confident	20 Å²	20	41 Å²	41	11%	0.107	22%	0.222	C	C	.	.			trans	54.7	31.6	176.5	-164.9	15.6	0	0	0	114.3	M159 L163 I167 W172 K178 C206	M159-D210 HydrophobicContact CE-CB 4.18Å; M159-D210 VanDerWaalsContact CE-OD2 3.26Å; M159-D210 WeakPolarHBondContact CE-OD2 3.41Å; L163-D210 HydrophobicContact CD1-CB 4.2Å; L163-D210 HydrophobicContact CD2-CB 4.41Å; I167-D210 HydrophobicContact CG2-CB 3.94Å; W172-D210 PolarHBondContact NE1-OD2 3.34Å; K178-D210 WeakPolarHBondContact CE-OD1 3.46Å; K178-D210 PolarHBondContact NZ-O 3.44Å; K178-D210 IonicContact NZ-OD1 3.71Å; K178-D210 PolarHBondContact NZ-OD1 3.21Å; K178-D210 IonicContact NZ-OD2 2.56Å; K178-D210 PolarHBondContact NZ-OD2 2.77Å; C206-D210 VanDerWaalsContact O-CA 3.26Å; C206-D210 WeakPolarHBondContact O-CA 3.27Å; C206-D210 PolarHBondContact O-N 3.37Å
211	R	91.7	Very high	83.7	Confident	23 Å²	23	44.8 Å²	44.8	9%	0.087	24%	0.244	C	C	.	.			trans	-85.1	133.8	167	-76.7	-172.6	-179.1	89.5	-9.5	110.2	C206 C209 F213 D256	C206-R211 WeakPolarHBondContact CB-O 3.5Å; C206-R211 PolarHBondContact N-O 3.1Å; C209-R211 PolarHBondContact O-N 2.95Å; C209-R211 VanDerWaalsContact O-N 3.11Å; C209-R211 PolarHBondContact SG-NH1 3.4Å; C209-R211 VanDerWaalsContact SG-NH1 3.37Å; R211-F213 HydrophobicContact CB-CE2 3.99Å; R211-D256 IonicContact CZ-OD2 2.98Å; R211-D256 IonicContact NE-OD2 2.59Å; R211-D256 PolarHBondContact NE-OD2 3.37Å; R211-D256 IonicContact NH2-OD2 3.77Å
212	G	90.8	Very high	84.5	Confident	3 Å²	3	44.1 Å²	44.1	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	146.4	178.7	0	0	0	0	0	114.2	C180 C181 L204	C180-G212 CarbonylContact C-O 3.45Å; C180-G212 WeakPolarHBondContact CA-O 3.33Å; C181-G212 PolarHBondContact N-O 2.53Å; C181-G212 PolarHBondContact SG-O 3.19Å; C181-G212 VanDerWaalsContact SG-O 3.4Å; L204-G212 CarbonylContact O-C 3.57Å; L204-G212 WeakPolarHBondContact O-CA 3.5Å
213	F	90.5	Very high	84.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	135.5	176.2	-68.9	-104.5	0	0	0	109.1	C181 L182 L203 L204 R211 W230 C232 I234 L249	C181-F213 HydrophobicContact CB-CD1 4.48Å; C181-F213 HydrophobicContact CB-CE1 3.98Å; C181-F213 HydrophobicContact CB-CE2 4.2Å; C181-F213 HydrophobicContact CB-CZ 3.82Å; L182-F213 HydrophobicContact CD1-CD1 3.96Å; L182-F213 HydrophobicContact CD1-CE1 3.82Å; L182-F213 HydrophobicContact CG-CD1 4.47Å; L182-F213 HydrophobicContact CG-CE1 4.15Å; L203-F213 CarbonylContact C-O 3.55Å; L203-F213 VanDerWaalsContact CD1-C 3.49Å; L204-F213 WeakPolarHBondContact CB-O 3.34Å; L204-F213 PolarHBondContact N-O 2.88Å; L204-F213 PolarHBondContact O-N 3.29Å; R211-F213 HydrophobicContact CB-CE2 3.99Å; F213-W230 HydrophobicContact CB-CH2 3.9Å; F213-W230 HydrophobicContact CB-CZ3 4.47Å; F213-W230 AromaticContact CD2-CH2 3.61Å; F213-W230 HydrophobicContact CD2-CH2 3.61Å; F213-W230 AromaticContact CD2-CZ3 3.94Å; F213-W230 HydrophobicContact CD2-CZ3 3.94Å; F213-W230 HydrophobicContact CE2-CH2 4.33Å; F213-W230 AromaticContact CG-CH2 3.84Å; F213-W230 HydrophobicContact CG-CH2 3.84Å; F213-W230 HydrophobicContact CG-CZ3 4.49Å; F213-C232 HydrophobicContact CD2-CB 3.93Å; F213-C232 HydrophobicContact CE2-CB 3.41Å; F213-C232 VanDerWaalsContact CE2-CB 3.41Å; F213-C232 HydrophobicContact CZ-CB 3.97Å; F213-I234 HydrophobicContact CZ-CD1 3.84Å; F213-I234 HydrophobicContact CZ-CG1 4.46Å; F213-L249 HydrophobicContact CE1-CD2 4.25Å
214	H	88.5	Confident	84.1	Confident	14 Å²	14	51 Å²	51	7%	0.065	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	152	167.8	-56.5	121.7	0	0	0	109.5	C180 C183 S185 K216 C217 A218	C180-H214 WeakPolarHBondContact CB-CE1 3.44Å; C180-H214 VanDerWaalsContact CB-ND1 3.26Å; C180-H214 WeakPolarHBondContact CB-ND1 3.2Å; C183-H214 VanDerWaalsContact SG-CE1 3.54Å; C183-H214 PolarHBondContact SG-ND1 3.22Å; S185-H214 PolarHBondContact O-CE1 2.95Å; S185-H214 PolarHBondContact OG-CE1 2.82Å; H214-K216 VanDerWaalsContact C-N 3.28Å; H214-K216 PolarHBondContact O-N 2.99Å; H214-C217 HydrophobicContact CB-CB 4.07Å; H214-C217 CarbonylContact O-C 3.51Å; H214-C217 WeakPolarHBondContact O-CA 3.08Å; H214-C217 WeakPolarHBondContact O-CB 3.35Å; H214-C217 PolarHBondContact O-N 2.97Å; H214-A218 PolarHBondContact O-N 3.49Å
215	L	85.1	Confident	83.8	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.026	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-52	-46	173.5	-71.3	165.7	0	0	0	112.3	Q200 C217 M222 E224 P225	Q200-L215 HydrophobicContact CG-CB 4.11Å; Q200-L215 HydrophobicContact CG-CD1 4.06Å; L215-C217 PolarHBondContact O-N 3.04Å; L215-C217 VanDerWaalsContact O-N 3.12Å; L215-M222 CarbonylContact C-O 3.48Å; L215-M222 WeakPolarHBondContact CB-O 3.39Å; L215-M222 HydrophobicContact CD2-CB 3.99Å; L215-M222 HydrophobicContact CD2-CE 4.41Å; L215-M222 PolarHBondContact O-N 3.44Å; L215-E224 WeakPolarHBondContact CD2-O 3.45Å; L215-P225 HydrophobicContact CD2-CB 4.46Å
216	K	83	Confident	83.3	Confident	101 Å²	101	52.9 Å²	52.9	44%	0.439	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-69.9	6.3	172.8	-69.4	169.5	161.3	118.3	0	114.6	D198 Q200 H214	D198-K216 IonicContact OD2-NZ 3.49Å; D198-K216 PolarHBondContact OD2-NZ 3.09Å; D198-K216 VanDerWaalsContact OD2-NZ 3.1Å; Q200-K216 HydrophobicContact CB-CD 3.84Å; Q200-K216 HydrophobicContact CB-CG 4.05Å; Q200-K216 HydrophobicContact CG-CG 4.3Å; H214-K216 VanDerWaalsContact C-N 3.28Å; H214-K216 PolarHBondContact O-N 2.99Å
217	C	84.9	Confident	82.8	Confident	29 Å²	29	61.4 Å²	61.4	20%	0.196	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-131.1	-10.8	-178.7	-70.5	0	0	0	0	114	C180 L182 H214 L215	C180-C217 WeakPolarHBondContact SG-CB 3.35Å; L182-C217 WeakPolarHBondContact CD1-O 3.5Å; H214-C217 HydrophobicContact CB-CB 4.07Å; H214-C217 CarbonylContact O-C 3.51Å; H214-C217 WeakPolarHBondContact O-CA 3.08Å; H214-C217 WeakPolarHBondContact O-CB 3.35Å; H214-C217 PolarHBondContact O-N 2.97Å; L215-C217 PolarHBondContact O-N 3.04Å; L215-C217 VanDerWaalsContact O-N 3.12Å
218	A	77.9	Confident	82.5	Confident	4 Å²	4	61.1 Å²	61.1	3%	0.033	34%	0.339	C	S	.	.	S	Bend	trans	-68.3	149.3	162.7	0	0	0	0	0	109	H214 P220 N221 M222 W230	H214-A218 PolarHBondContact O-N 3.49Å; A218-P220 CarbonylContact C-O 3.17Å; A218-P220 CarbonylContact O-C 3.59Å; A218-N221 VanDerWaalsContact O-CA 3.25Å; A218-N221 WeakPolarHBondContact O-CA 3.33Å; A218-N221 PolarHBondContact O-N 2.86Å; A218-N221 PolarHBondContact O-OD1 3.44Å; A218-M222 HydrophobicContact CB-CE 3.77Å; A218-M222 HydrophobicContact CB-CG 4.5Å; A218-W230 HydrophobicContact CB-CZ2 4.28Å
219	E	70.8	Confident	82.2	Confident	101 Å²	101	67.3 Å²	67.3	47%	0.472	37%	0.369	S	S	.	.	S	Bend	trans	-116.6	121.4	175.4	-70.7	178.1	-165	0	0	108.2	R248	E219-R248 IonicContact OE1-NH1 3.02Å; E219-R248 PolarHBondContact OE1-NH1 3.19Å
220	P	73.9	Confident	82.1	Confident	119 Å²	119	68.7 Å²	68.7	77%	0.773	37%	0.373	S	S	*	.	S	Bend	cis	-65.8	153.6	-4.4	30.9	-36.5	0	0	0	113.1	A218 M222	A218-P220 CarbonylContact C-O 3.17Å; A218-P220 CarbonylContact O-C 3.59Å; P220-M222 PolarHBondContact O-N 3.17Å
221	N	72.8	Confident	81.9	Confident	119 Å²	119	70.1 Å²	70.1	64%	0.636	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-57.5	125.7	-179.8	-70.3	-10.7	0	0	0	110.9	A218	A218-N221 VanDerWaalsContact O-CA 3.25Å; A218-N221 WeakPolarHBondContact O-CA 3.33Å; A218-N221 PolarHBondContact O-N 2.86Å; A218-N221 PolarHBondContact O-OD1 3.44Å
222	M	72.6	Confident	81.9	Confident	39 Å²	39	69 Å²	69	19%	0.192	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-97.5	142.9	179.6	-61.4	-167.6	-65.7	0	0	111.1	Q200 L204 L215 A218 P220 P226 W230	Q200-M222 PolarHBondContact NE2-O 2.94Å; L204-M222 HydrophobicContact CD2-CE 3.32Å; L215-M222 CarbonylContact C-O 3.48Å; L215-M222 WeakPolarHBondContact CB-O 3.39Å; L215-M222 HydrophobicContact CD2-CB 3.99Å; L215-M222 HydrophobicContact CD2-CE 4.41Å; L215-M222 PolarHBondContact O-N 3.44Å; A218-M222 HydrophobicContact CB-CE 3.77Å; A218-M222 HydrophobicContact CB-CG 4.5Å; P220-M222 PolarHBondContact O-N 3.17Å; M222-P226 HydrophobicContact CE-CG 4.1Å; M222-P226 HydrophobicContact SD-CB 4.5Å; M222-P226 HydrophobicContact SD-CG 4.05Å; M222-W230 HydrophobicContact CE-CZ2 4.25Å
223	L	71.4	Confident	81.6	Confident	137 Å²	137	69.7 Å²	69.7	72%	0.717	38%	0.382	S	S	*	.	S	Bend	trans	-88.3	-42.4	174.7	-63.3	-178.8	0	0	0	111.3
224	E	76.4	Confident	81.5	Confident	156 Å²	156	69.9 Å²	69.9	73%	0.729	38%	0.383	S	S	*	.	S	Bend	trans	-124.5	155.1	-177	-68.1	172.4	-178.2	0	0	110	L215	L215-E224 WeakPolarHBondContact CD2-O 3.45Å
225	P	80.8	Confident	81.5	Confident	84 Å²	84	70.1 Å²	70.1	55%	0.545	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-66	132.3	174.4	27.9	-34	0	0	0	110.8	L204 L215	L204-P225 HydrophobicContact CD1-CB 4.29Å; L215-P225 HydrophobicContact CD2-CB 4.46Å
226	P	82.1	Confident	81.5	Confident	51 Å²	51	73.2 Å²	73.2	33%	0.331	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-70.6	143.3	-177.6	28	-33.6	0	0	0	112	L204 M222 W230	L204-P226 HydrophobicContact CD2-CG 4.01Å; M222-P226 HydrophobicContact CE-CG 4.1Å; M222-P226 HydrophobicContact SD-CB 4.5Å; M222-P226 HydrophobicContact SD-CG 4.05Å; P226-W230 HydrophobicContact CG-CB 4.12Å; P226-W230 VanDerWaalsContact CG-CD1 3.44Å; P226-W230 HydrophobicContact CG-CG 3.89Å
227	E	80.3	Confident	81.1	Confident	181 Å²	181	71.5 Å²	71.5	85%	0.846	40%	0.402	S	S	*	.	S	Bend	trans	-69.8	146.5	175.4	-63.8	-165.8	164.4	0	0	112.7
228	G	84.6	Confident	80.1	Confident	72 Å²	72	74 Å²	74	74%	0.742	42%	0.42	S	S	*	.	S	Bend	trans	87.1	-143.2	174.4	0	0	0	0	0	113.4
229	M	84	Confident	79.2	Confident	152 Å²	152	77.3 Å²	77.3	75%	0.749	45%	0.454	S	S	*	.			trans	-91.5	121.6	179.3	-72.7	-179.8	63.7	0	0	110.8	D207	D207-M229 HydrophobicContact CB-CE 4.31Å; D207-M229 VanDerWaalsContact OD2-CA 3.3Å; D207-M229 WeakPolarHBondContact OD2-CA 3.33Å
230	W	89.2	Confident	78.5	Confident	32 Å²	32	77.3 Å²	77.3	12%	0.121	46%	0.461	C	S	.	.			trans	-99.3	124	177.5	-172.9	69.5	0	0	0	112.8	L204 C206 D207 F213 A218 M222 P226 C232	L204-W230 HydrophobicContact CD2-CD2 3.43Å; L204-W230 VanDerWaalsContact CD2-CD2 3.43Å; L204-W230 HydrophobicContact CD2-CE3 3.66Å; L204-W230 HydrophobicContact CD2-CG 3.82Å; L204-W230 HydrophobicContact CD2-CH2 4.23Å; L204-W230 HydrophobicContact CD2-CZ2 4.04Å; L204-W230 HydrophobicContact CD2-CZ3 4.04Å; L204-W230 HydrophobicContact CG-CD2 3.93Å; L204-W230 HydrophobicContact CG-CE3 3.65Å; L204-W230 HydrophobicContact CG-CG 4.4Å; L204-W230 HydrophobicContact CG-CZ3 4.02Å; C206-W230 HydrophobicContact CB-CE3 4.12Å; C206-W230 HydrophobicContact CB-CZ3 4.02Å; D207-W230 PolarHBondContact N-O 3.03Å; D207-W230 PolarHBondContact OD2-N 2.99Å; F213-W230 HydrophobicContact CB-CH2 3.9Å; F213-W230 HydrophobicContact CB-CZ3 4.47Å; F213-W230 AromaticContact CD2-CH2 3.61Å; F213-W230 HydrophobicContact CD2-CH2 3.61Å; F213-W230 AromaticContact CD2-CZ3 3.94Å; F213-W230 HydrophobicContact CD2-CZ3 3.94Å; F213-W230 HydrophobicContact CE2-CH2 4.33Å; F213-W230 AromaticContact CG-CH2 3.84Å; F213-W230 HydrophobicContact CG-CH2 3.84Å; F213-W230 HydrophobicContact CG-CZ3 4.49Å; A218-W230 HydrophobicContact CB-CZ2 4.28Å; M222-W230 HydrophobicContact CE-CZ2 4.25Å; P226-W230 HydrophobicContact CG-CB 4.12Å; P226-W230 VanDerWaalsContact CG-CD1 3.44Å; P226-W230 HydrophobicContact CG-CG 3.89Å; W230-C232 HydrophobicContact CE3-CB 4.42Å; W230-C232 HydrophobicContact CH2-CB 3.46Å; W230-C232 VanDerWaalsContact CH2-CB 3.46Å; W230-C232 HydrophobicContact CZ2-CB 4.09Å; W230-C232 HydrophobicContact CZ3-CB 3.66Å
231	T	89.4	Confident	77.6	Confident	51 Å²	51	79.6 Å²	79.6	31%	0.313	46%	0.462	S	S	.	.			trans	-107.6	117.2	175	-56.4	0	0	0	0	109.5	V208 C235 S236	V208-T231 HydrophobicContact CB-CG2 4.34Å; V208-T231 HydrophobicContact CG2-CG2 3.87Å; V208-T231 WeakPolarHBondContact CG2-OG1 3.29Å; T231-C235 HydrophobicContact CG2-CB 3.4Å; T231-S236 WeakPolarHBondContact CG2-OG 3.48Å; T231-S236 PolarHBondContact O-OG 3.39Å; T231-S236 VanDerWaalsContact O-OG 3.13Å
232	C	90.3	Very high	76.7	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	45%	0.454	C	S	.	.			trans	-66.4	153.7	178.8	71.8	0	0	0	0	112.1	C206 F213 W230 I234 C235 S236	C206-C232 HydrophobicContact CB-CB 3.81Å; C206-C232 PolarHBondContact SG-N 2.96Å; F213-C232 HydrophobicContact CD2-CB 3.93Å; F213-C232 HydrophobicContact CE2-CB 3.41Å; F213-C232 VanDerWaalsContact CE2-CB 3.41Å; F213-C232 HydrophobicContact CZ-CB 3.97Å; W230-C232 HydrophobicContact CE3-CB 4.42Å; W230-C232 HydrophobicContact CH2-CB 3.46Å; W230-C232 VanDerWaalsContact CH2-CB 3.46Å; W230-C232 HydrophobicContact CZ2-CB 4.09Å; W230-C232 HydrophobicContact CZ3-CB 3.66Å; C232-I234 PolarHBondContact O-N 3.27Å; C232-C235 PolarHBondContact O-N 2.82Å; C232-S236 PolarHBondContact O-N 3.21Å; C232-S236 VanDerWaalsContact O-N 3.08Å; C232-S236 PolarHBondContact O-OG 3.12Å
233	P	85.7	Confident	75.9	Confident	16 Å²	16	82.2 Å²	82.2	10%	0.104	48%	0.481	C	S	.	.	H	α-helix	trans	-49.5	-34.3	-176.3	-32.8	37.6	0	0	0	115.8	C235 S236 Q237 L249	P233-C235 VanDerWaalsContact C-N 3.34Å; P233-C235 PolarHBondContact O-N 3.15Å; P233-S236 PolarHBondContact O-N 3.4Å; P233-Q237 WeakPolarHBondContact O-CB 3.35Å; P233-Q237 WeakPolarHBondContact O-CG 3.29Å; P233-Q237 PolarHBondContact O-N 3.44Å; P233-L249 HydrophobicContact CB-CD1 3.6Å; P233-L249 HydrophobicContact CB-CD2 4.46Å
234	I	88.1	Confident	75.7	Confident	4 Å²	4	83.1 Å²	83.1	2%	0.021	49%	0.486	C	S	.	.	H	α-helix	trans	-63.3	-38.6	177.3	-56.2	161.6	0	0	0	112	F213 C232 L249 I252 Q253	F213-I234 HydrophobicContact CZ-CD1 3.84Å; F213-I234 HydrophobicContact CZ-CG1 4.46Å; C232-I234 PolarHBondContact O-N 3.27Å; I234-L249 HydrophobicContact CG1-CB 4.37Å; I234-L249 HydrophobicContact CG1-CD2 4.02Å; I234-I252 HydrophobicContact CD1-CB 4.46Å; I234-I252 HydrophobicContact CD1-CG2 3.51Å; I234-Q253 HydrophobicContact CG2-CB 3.76Å; I234-Q253 HydrophobicContact CG2-CG 3.72Å
235	C	89.2	Confident	75.2	Confident	20 Å²	20	76.5 Å²	76.5	14%	0.135	46%	0.455	C	S	.	.	H	α-helix	trans	-79.9	-41.9	177.4	-70.1	0	0	0	0	110.7	V208 C209 T231 C232 P233 Q237 S238	V208-C235 HydrophobicContact CB-CB 4.28Å; V208-C235 HydrophobicContact CG1-CB 4.03Å; C209-C235 PolarHBondContact SG-SG 3.19Å; T231-C235 HydrophobicContact CG2-CB 3.4Å; C232-C235 PolarHBondContact O-N 2.82Å; P233-C235 VanDerWaalsContact C-N 3.34Å; P233-C235 PolarHBondContact O-N 3.15Å; C235-Q237 VanDerWaalsContact C-N 3.27Å; C235-Q237 PolarHBondContact O-N 2.8Å; C235-S238 WeakPolarHBondContact O-CB 3.47Å; C235-S238 PolarHBondContact O-N 3.33Å; C235-S238 VanDerWaalsContact O-N 3.12Å; C235-S238 PolarHBondContact O-OG 2.71Å
236	S	84.9	Confident	75.1	Confident	70 Å²	70	74.3 Å²	74.3	49%	0.49	44%	0.439	S	S	.	.	H	α-helix	trans	-60.9	-34.3	-179.5	-48.6	0	0	0	0	113.1	T231 C232 P233	T231-S236 WeakPolarHBondContact CG2-OG 3.48Å; T231-S236 PolarHBondContact O-OG 3.39Å; T231-S236 VanDerWaalsContact O-OG 3.13Å; C232-S236 PolarHBondContact O-N 3.21Å; C232-S236 VanDerWaalsContact O-N 3.08Å; C232-S236 PolarHBondContact O-OG 3.12Å; P233-S236 PolarHBondContact O-N 3.4Å
237	Q	73	Confident	75	Confident	65 Å²	65	76.9 Å²	76.9	30%	0.304	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	4	-179.8	-62.9	171.1	5.4	0	0	113.3	P233 C235 G239 M245	P233-Q237 WeakPolarHBondContact O-CB 3.35Å; P233-Q237 WeakPolarHBondContact O-CG 3.29Å; P233-Q237 PolarHBondContact O-N 3.44Å; C235-Q237 VanDerWaalsContact C-N 3.27Å; C235-Q237 PolarHBondContact O-N 2.8Å; Q237-G239 VanDerWaalsContact C-N 3.3Å; Q237-G239 PolarHBondContact O-N 2.83Å; Q237-M245 HydrophobicContact CB-CE 3.99Å; Q237-M245 HydrophobicContact CB-CG 3.97Å; Q237-M245 HydrophobicContact CB-SD 4.09Å
238	S	63.7	Low	75.1	Confident	80 Å²	80	73.8 Å²	73.8	56%	0.559	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.9	-177.8	67.7	0	0	0	0	115.1	C235	C235-S238 WeakPolarHBondContact O-CB 3.47Å; C235-S238 PolarHBondContact O-N 3.33Å; C235-S238 VanDerWaalsContact O-N 3.12Å; C235-S238 PolarHBondContact O-OG 2.71Å
239	G	60.9	Low	75.1	Confident	74 Å²	74	70.7 Å²	70.7	76%	0.763	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	3.9	179.2	0	0	0	0	0	115.4	Q237	Q237-G239 VanDerWaalsContact C-N 3.3Å; Q237-G239 PolarHBondContact O-N 2.83Å
240	T	54.9	Low	75	Confident	101 Å²	101	69.1 Å²	69.1	62%	0.62	39%	0.389	S	S	*	.	S	Bend	trans	-131.2	160	-179.5	36.1	0	0	0	0	111.4	C242	T240-C242 PolarHBondContact O-N 2.61Å
241	E	55.2	Low	74.8	Confident	167 Å²	167	69.7 Å²	69.7	78%	0.78	40%	0.398	S	S	*	.			trans	-55.6	126.7	-171.4	-62	-175.3	162	0	0	112.2	L243	E241-L243 PolarHBondContact O-N 3.47Å
242	C	53.6	Low	74.5	Confident	71 Å²	71	67.9 Å²	67.9	48%	0.48	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	21.1	-158.6	-46.1	0	0	0	0	115.4	T240 R250	T240-C242 PolarHBondContact O-N 2.61Å; C242-R250 PolarHBondContact O-NH1 2.94Å
243	L	57.2	Low	74.3	Confident	142 Å²	142	70.9 Å²	70.9	74%	0.743	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-29	-175.3	-58.3	-178.9	0	0	0	112.7	E241	E241-L243 PolarHBondContact O-N 3.47Å
244	N	66.2	Low	74.3	Confident	157 Å²	157	74.7 Å²	74.7	84%	0.84	42%	0.423	S	S	*	.	S	Bend	trans	-99.7	12.1	-175.3	-72.6	-10.8	0	0	0	115.1
245	M	66.8	Low	74.1	Confident	16 Å²	16	75.2 Å²	75.2	8%	0.079	43%	0.427	C	S	.	.	S	Bend	trans	-76.6	137.2	172.9	-73.2	-145.7	72.7	0	0	111.8	Q237 P247 L249 R250 Q253	Q237-M245 HydrophobicContact CB-CE 3.99Å; Q237-M245 HydrophobicContact CB-CG 3.97Å; Q237-M245 HydrophobicContact CB-SD 4.09Å; M245-P247 WeakPolarHBondContact O-CD 3.44Å; M245-L249 HydrophobicContact CE-CB 3.72Å; M245-L249 HydrophobicContact CE-CD1 4.43Å; M245-R250 HydrophobicContact CB-CB 4.18Å; M245-Q253 PolarHBondContact SD-OE1 3.14Å
246	D	77.3	Confident	74	Confident	39 Å²	39	75 Å²	75	21%	0.209	42%	0.424	C	S	.	.			trans	-52.7	126.1	165.7	164.6	23.1	0	0	0	109.8	R248 L249 R250	D246-R248 PolarHBondContact O-N 2.91Å; D246-R248 WeakPolarHBondContact OD1-CG 3.3Å; D246-R248 PolarHBondContact OD1-N 3.26Å; D246-R248 VanDerWaalsContact OD2-CB 3.24Å; D246-R248 WeakPolarHBondContact OD2-CB 3.1Å; D246-R248 WeakPolarHBondContact OD2-CD 3.46Å; D246-L249 HydrophobicContact CB-CB 4.26Å; D246-L249 HydrophobicContact CB-CD1 4.07Å; D246-L249 HydrophobicContact CB-CG 4.08Å; D246-L249 PolarHBondContact O-N 2.63Å; D246-L249 PolarHBondContact OD2-N 2.65Å; D246-R250 PolarHBondContact O-N 3.39Å
247	P	80.8	Confident	74.2	Confident	105 Å²	105	77.4 Å²	77.4	68%	0.682	43%	0.428	S	S	*	.	H	α-helix	trans	-49.3	-29.9	174.2	-30.6	36.7	0	0	0	114.8	M245 S251	M245-P247 WeakPolarHBondContact O-CD 3.44Å; P247-S251 WeakPolarHBondContact O-CB 3.37Å; P247-S251 PolarHBondContact O-N 2.73Å
248	R	82.2	Confident	74.9	Confident	116 Å²	116	75.1 Å²	75.1	44%	0.438	42%	0.417	S	S	.	.	H	α-helix	trans	-70.2	-48.2	175	-47	157.4	63.5	-155.1	2.2	110.6	L182 E219 D246 S251 I252	L182-R248 HydrophobicContact CD2-CB 4.12Å; E219-R248 IonicContact OE1-NH1 3.02Å; E219-R248 PolarHBondContact OE1-NH1 3.19Å; D246-R248 PolarHBondContact O-N 2.91Å; D246-R248 WeakPolarHBondContact OD1-CG 3.3Å; D246-R248 PolarHBondContact OD1-N 3.26Å; D246-R248 VanDerWaalsContact OD2-CB 3.24Å; D246-R248 WeakPolarHBondContact OD2-CB 3.1Å; D246-R248 WeakPolarHBondContact OD2-CD 3.46Å; R248-S251 PolarHBondContact O-N 3.41Å; R248-I252 WeakPolarHBondContact O-CB 3.36Å; R248-I252 WeakPolarHBondContact O-CD1 3.15Å; R248-I252 WeakPolarHBondContact O-CG1 3.35Å; R248-I252 PolarHBondContact O-N 3.2Å
249	L	84.4	Confident	76.2	Confident	7 Å²	7	74.1 Å²	74.1	4%	0.037	41%	0.408	C	S	.	.	H	α-helix	trans	-61.4	-44.5	175.9	-66.7	177	0	0	0	112	L182 F213 P233 I234 M245 D246 S251 I252 Q253	L182-L249 HydrophobicContact CD1-CD2 4.16Å; L182-L249 HydrophobicContact CD2-CD2 4.04Å; L182-L249 HydrophobicContact CG-CD2 4.32Å; F213-L249 HydrophobicContact CE1-CD2 4.25Å; P233-L249 HydrophobicContact CB-CD1 3.6Å; P233-L249 HydrophobicContact CB-CD2 4.46Å; I234-L249 HydrophobicContact CG1-CB 4.37Å; I234-L249 HydrophobicContact CG1-CD2 4.02Å; M245-L249 HydrophobicContact CE-CB 3.72Å; M245-L249 HydrophobicContact CE-CD1 4.43Å; D246-L249 HydrophobicContact CB-CB 4.26Å; D246-L249 HydrophobicContact CB-CD1 4.07Å; D246-L249 HydrophobicContact CB-CG 4.08Å; D246-L249 PolarHBondContact O-N 2.63Å; D246-L249 PolarHBondContact OD2-N 2.65Å; L249-S251 PolarHBondContact O-N 3.3Å; L249-I252 WeakPolarHBondContact O-CB 3.32Å; L249-I252 PolarHBondContact O-N 3.44Å; L249-Q253 PolarHBondContact O-N 3.3Å
250	R	82.5	Confident	77.6	Confident	118 Å²	118	76.3 Å²	76.3	45%	0.445	40%	0.399	S	S	.	.	H	α-helix	trans	-63.7	-40.2	176.6	-168.4	172.3	179	176.4	-1.6	111.9	C242 M245 D246 Q253 V254	C242-R250 PolarHBondContact O-NH1 2.94Å; M245-R250 HydrophobicContact CB-CB 4.18Å; D246-R250 PolarHBondContact O-N 3.39Å; R250-Q253 PolarHBondContact O-N 3.33Å; R250-V254 WeakPolarHBondContact O-CG2 3.45Å; R250-V254 PolarHBondContact O-N 2.92Å
251	S	83.7	Confident	79.2	Confident	45 Å²	45	76.3 Å²	76.3	32%	0.315	39%	0.391	S	S	.	.	H	α-helix	trans	-63.7	-41.4	172.9	179.5	0	0	0	0	112.2	L109 P247 R248 L249 C255	L109-S251 WeakPolarHBondContact CD2-OG 3.37Å; P247-S251 WeakPolarHBondContact O-CB 3.37Å; P247-S251 PolarHBondContact O-N 2.73Å; R248-S251 PolarHBondContact O-N 3.41Å; L249-S251 PolarHBondContact O-N 3.3Å; S251-C255 WeakPolarHBondContact O-CB 3.4Å; S251-C255 PolarHBondContact O-N 2.83Å; S251-C255 PolarHBondContact O-SG 2.89Å
252	I	85.1	Confident	80.9	Confident	13 Å²	13	70 Å²	70	7%	0.067	36%	0.362	C	S	.	.	H	α-helix	trans	-61.8	-45.8	175.8	-75.3	166.2	0	0	0	111.3	C181 L182 I234 R248 L249 V254 C255 D256	C181-I252 HydrophobicContact CB-CD1 4.33Å; C181-I252 HydrophobicContact CB-CG2 4.2Å; C181-I252 WeakPolarHBondContact O-CD1 3.32Å; L182-I252 HydrophobicContact CD2-CD1 3.67Å; L182-I252 HydrophobicContact CG-CD1 4.13Å; I234-I252 HydrophobicContact CD1-CB 4.46Å; I234-I252 HydrophobicContact CD1-CG2 3.51Å; R248-I252 WeakPolarHBondContact O-CB 3.36Å; R248-I252 WeakPolarHBondContact O-CD1 3.15Å; R248-I252 WeakPolarHBondContact O-CG1 3.35Å; R248-I252 PolarHBondContact O-N 3.2Å; L249-I252 WeakPolarHBondContact O-CB 3.32Å; L249-I252 PolarHBondContact O-N 3.44Å; I252-V254 PolarHBondContact O-N 3.11Å; I252-C255 PolarHBondContact O-N 3.04Å; I252-D256 WeakPolarHBondContact O-CB 3.43Å; I252-D256 PolarHBondContact O-N 3.06Å; I252-D256 VanDerWaalsContact O-N 3.08Å
253	Q	85.3	Confident	82.6	Confident	62 Å²	62	68 Å²	68	29%	0.29	35%	0.346	S	S	.	.	H	α-helix	trans	-55.1	-50.9	178.1	-173.5	-179.1	5.7	0	0	111.6	I234 M245 L249 R250 Q257	I234-Q253 HydrophobicContact CG2-CB 3.76Å; I234-Q253 HydrophobicContact CG2-CG 3.72Å; M245-Q253 PolarHBondContact SD-OE1 3.14Å; L249-Q253 PolarHBondContact O-N 3.3Å; R250-Q253 PolarHBondContact O-N 3.33Å; Q253-Q257 PolarHBondContact O-N 3.19Å
254	V	85.6	Confident	84.2	Confident	96 Å²	96	65.2 Å²	65.2	58%	0.582	33%	0.332	S	S	*	.	H	α-helix	trans	-67.3	-43.3	179.1	176.2	0	0	0	0	111.8	R250 I252 D256 Q257	R250-V254 WeakPolarHBondContact O-CG2 3.45Å; R250-V254 PolarHBondContact O-N 2.92Å; I252-V254 PolarHBondContact O-N 3.11Å; V254-D256 PolarHBondContact O-N 3.15Å; V254-Q257 PolarHBondContact O-N 2.72Å
255	C	84.2	Confident	85.3	Confident	16 Å²	16	63 Å²	63	11%	0.108	31%	0.312	C	S	.	.	H	α-helix	trans	-68.6	-19.9	-178.3	-68.1	0	0	0	0	114	L109 R112 R171 S251 I252	L109-C255 VanDerWaalsContact CD2-SG 3.59Å; R112-C255 HydrophobicContact CB-CB 4.31Å; R171-C255 PolarHBondContact NH1-O 3.06Å; S251-C255 WeakPolarHBondContact O-CB 3.4Å; S251-C255 PolarHBondContact O-N 2.83Å; S251-C255 PolarHBondContact O-SG 2.89Å; I252-C255 PolarHBondContact O-N 3.04Å
256	D	86.6	Confident	86.3	Confident	16 Å²	16	63.2 Å²	63.2	9%	0.086	31%	0.313	C	S	.	.	H	α-helix	trans	-92.6	-12.3	177.7	-75	-17.4	0	0	0	113.6	R112 I170 R171 R211 I252 V254	R112-D256 IonicContact CZ-OD1 3.1Å; R112-D256 IonicContact CZ-OD2 3.77Å; R112-D256 IonicContact NH1-OD1 3.25Å; R112-D256 PolarHBondContact NH1-OD1 3.04Å; R112-D256 IonicContact NH1-OD2 3.67Å; R112-D256 PolarHBondContact NH1-OD2 2.96Å; I170-D256 CarbonylContact C-O 3.27Å; I170-D256 WeakPolarHBondContact CA-O 3.48Å; I170-D256 WeakPolarHBondContact CB-O 3.3Å; R171-D256 PolarHBondContact N-O 2.84Å; R211-D256 IonicContact CZ-OD2 2.98Å; R211-D256 IonicContact NE-OD2 2.59Å; R211-D256 PolarHBondContact NE-OD2 3.37Å; R211-D256 IonicContact NH2-OD2 3.77Å; I252-D256 WeakPolarHBondContact O-CB 3.43Å; I252-D256 PolarHBondContact O-N 3.06Å; I252-D256 VanDerWaalsContact O-N 3.08Å; V254-D256 PolarHBondContact O-N 3.15Å
257	Q	88.3	Confident	86.9	Confident	119 Å²	119	65 Å²	65	56%	0.556	32%	0.319	S	S	*	.	B	Isolated β-bridge	trans	-79.6	133.4	-175.3	-160.4	166.9	24.4	0	0	111.4	R171 Q253 V254	R171-Q257 PolarHBondContact NH1-O 3.33Å; R171-Q257 PolarHBondContact NH2-O 3.42Å; Q253-Q257 PolarHBondContact O-N 3.19Å; V254-Q257 PolarHBondContact O-N 2.72Å
258	L	89.6	Confident	87.3	Confident	17 Å²	17	68 Å²	68	9%	0.089	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-79.6	147.2	174.4	-89.6	66.4	0	0	0	110.9	W146 S169 I170 R171 E262 I263 M266	W146-L258 HydrophobicContact CE3-CD1 4.39Å; W146-L258 HydrophobicContact CZ3-CD1 4.19Å; W146-L258 HydrophobicContact CZ3-CD2 4.26Å; W146-L258 HydrophobicContact CZ3-CG 4.13Å; S169-L258 PolarHBondContact O-N 3.38Å; I170-L258 WeakPolarHBondContact O-CD1 3.37Å; R171-L258 HydrophobicContact CB-CD1 4.26Å; R171-L258 HydrophobicContact CG-CD1 3.5Å; R171-L258 VanDerWaalsContact CG-CD1 3.5Å; R171-L258 VanDerWaalsContact N-CD1 3.25Å; L258-E262 HydrophobicContact CB-CB 4.11Å; L258-E262 HydrophobicContact CD2-CB 3.89Å; L258-E262 HydrophobicContact CG-CB 3.77Å; L258-I263 HydrophobicContact CB-CD1 4.27Å; L258-I263 HydrophobicContact CB-CG1 3.61Å; L258-I263 HydrophobicContact CD2-CB 4.48Å; L258-I263 HydrophobicContact CD2-CG1 3.79Å; L258-I263 HydrophobicContact CG-CG1 4.35Å; L258-M266 HydrophobicContact CD2-SD 3.8Å
259	T	90.8	Very high	87.6	Confident	59 Å²	59	63.5 Å²	63.5	36%	0.362	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-76.8	153.7	158.7	62.1	0	0	0	0	110	H261 E262 I263 W404	T259-H261 VanDerWaalsContact C-N 3.25Å; T259-H261 PolarHBondContact O-N 3.11Å; T259-E262 WeakPolarHBondContact CB-OE2 3.47Å; T259-E262 PolarHBondContact N-OE2 3.26Å; T259-E262 WeakPolarHBondContact O-CA 3.45Å; T259-E262 WeakPolarHBondContact O-CB 3.44Å; T259-E262 PolarHBondContact O-N 2.95Å; T259-E262 WeakPolarHBondContact OG1-CG 3.19Å; T259-E262 PolarHBondContact OG1-OE2 3.08Å; T259-I263 PolarHBondContact O-N 3Å; T259-I263 VanDerWaalsContact O-N 3.15Å; T259-W404 HydrophobicContact CG2-CH2 4.18Å
260	Q	90	Very high	87.6	Confident	121 Å²	121	63.2 Å²	63.2	57%	0.565	31%	0.308	S	S	*	.	H	α-helix	trans	-52.8	-43.3	-178.2	-173.2	59.5	44.4	0	0	112.6	E262 I263 D264	Q260-E262 VanDerWaalsContact C-N 3.27Å; Q260-E262 PolarHBondContact O-N 3.02Å; Q260-I263 WeakPolarHBondContact O-CA 3.37Å; Q260-I263 WeakPolarHBondContact O-CB 3.41Å; Q260-I263 PolarHBondContact O-N 2.79Å; Q260-D264 PolarHBondContact NE2-OD1 2.72Å; Q260-D264 PolarHBondContact O-N 3.09Å
261	H	87.7	Confident	87.7	Confident	100 Å²	100	59.5 Å²	59.5	46%	0.463	30%	0.296	S	S	.	.	H	α-helix	trans	-57	-34.9	174.8	171.4	-74	0	0	0	113.5	T259 W265 W404	T259-H261 VanDerWaalsContact C-N 3.25Å; T259-H261 PolarHBondContact O-N 3.11Å; H261-W265 WeakPolarHBondContact O-CB 3.45Å; H261-W265 PolarHBondContact O-N 2.94Å; H261-W404 HydrophobicContact CB-CZ2 4.01Å; H261-W404 AromaticContact CD2-NE1 3.75Å; H261-W404 AromaticContact CE1-NE1 3.33Å; H261-W404 PolarHBondContact CE1-NE1 2.88Å; H261-W404 VanDerWaalsContact CE1-NE1 3.33Å; H261-W404 AromaticContact CG-CZ2 3.84Å; H261-W404 AromaticContact CG-NE1 3.91Å; H261-W404 AromaticContact ND1-CE2 3.94Å; H261-W404 AromaticContact ND1-CZ2 3.75Å; H261-W404 AromaticContact ND1-NE1 3.64Å; H261-W404 AromaticContact NE2-NE1 3.37Å; H261-W404 PolarHBondContact NE2-NE1 3.16Å
262	E	90.4	Very high	87.6	Confident	35 Å²	35	59.8 Å²	59.8	16%	0.164	30%	0.296	C	S	.	.	H	α-helix	trans	-73.2	-35.3	174.2	-68.4	164.8	116.7	0	0	111.7	W146 R171 L258 T259 Q260 M266	W146-E262 HydrophobicContact CH2-CG 4.33Å; W146-E262 VanDerWaalsContact CH2-OE1 3.24Å; W146-E262 WeakPolarHBondContact CH2-OE1 3.41Å; R171-E262 IonicContact CZ-OE1 3.89Å; R171-E262 IonicContact NE-OE1 3.44Å; R171-E262 IonicContact NH2-OE1 3.58Å; R171-E262 PolarHBondContact NH2-OE1 3.15Å; R171-E262 IonicContact NH2-OE2 2.73Å; R171-E262 PolarHBondContact NH2-OE2 3.34Å; L258-E262 HydrophobicContact CB-CB 4.11Å; L258-E262 HydrophobicContact CD2-CB 3.89Å; L258-E262 HydrophobicContact CG-CB 3.77Å; T259-E262 WeakPolarHBondContact CB-OE2 3.47Å; T259-E262 PolarHBondContact N-OE2 3.26Å; T259-E262 WeakPolarHBondContact O-CA 3.45Å; T259-E262 WeakPolarHBondContact O-CB 3.44Å; T259-E262 PolarHBondContact O-N 2.95Å; T259-E262 WeakPolarHBondContact OG1-CG 3.19Å; T259-E262 PolarHBondContact OG1-OE2 3.08Å; Q260-E262 VanDerWaalsContact C-N 3.27Å; Q260-E262 PolarHBondContact O-N 3.02Å; E262-M266 WeakPolarHBondContact O-CB 3.42Å; E262-M266 WeakPolarHBondContact O-CG 3.44Å; E262-M266 PolarHBondContact O-N 3.49Å
263	I	90.4	Very high	86.4	Confident	29 Å²	29	61 Å²	61	15%	0.149	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-49.9	175.3	-56.8	177.5	0	0	0	109.5	L258 T259 Q260 W265 M266 K267	L258-I263 HydrophobicContact CB-CD1 4.27Å; L258-I263 HydrophobicContact CB-CG1 3.61Å; L258-I263 HydrophobicContact CD2-CB 4.48Å; L258-I263 HydrophobicContact CD2-CG1 3.79Å; L258-I263 HydrophobicContact CG-CG1 4.35Å; T259-I263 PolarHBondContact O-N 3Å; T259-I263 VanDerWaalsContact O-N 3.15Å; Q260-I263 WeakPolarHBondContact O-CA 3.37Å; Q260-I263 WeakPolarHBondContact O-CB 3.41Å; Q260-I263 PolarHBondContact O-N 2.79Å; I263-W265 VanDerWaalsContact C-N 3.33Å; I263-W265 PolarHBondContact O-N 3.3Å; I263-M266 PolarHBondContact O-N 3.11Å; I263-K267 HydrophobicContact CG2-CD 4.24Å; I263-K267 WeakPolarHBondContact O-CB 3.48Å; I263-K267 PolarHBondContact O-N 3.13Å
264	D	90.1	Very high	84.8	Confident	83 Å²	83	59.2 Å²	59.2	44%	0.444	30%	0.304	S	S	.	.	H	α-helix	trans	-61.6	-42.1	178.7	-58.3	-26	0	0	0	111.1	Q260 K268	Q260-D264 PolarHBondContact NE2-OD1 2.72Å; Q260-D264 PolarHBondContact O-N 3.09Å; D264-K268 WeakPolarHBondContact O-CB 3.11Å; D264-K268 PolarHBondContact O-N 3.03Å
265	W	88.8	Confident	82.9	Confident	110 Å²	110	58.4 Å²	58.4	42%	0.417	31%	0.308	S	S	.	.	H	α-helix	trans	-64.6	-44.3	175.7	-178.7	88.8	0	0	0	112.1	P116 V119 H261 I263 K268 A269	P116-W265 HydrophobicContact CB-CH2 4.2Å; P116-W265 HydrophobicContact CB-CZ3 3.79Å; P116-W265 HydrophobicContact CG-CE3 4.14Å; P116-W265 HydrophobicContact CG-CH2 3.79Å; P116-W265 HydrophobicContact CG-CZ3 3.49Å; P116-W265 VanDerWaalsContact CG-CZ3 3.49Å; V119-W265 HydrophobicContact CG2-CH2 4.31Å; V119-W265 HydrophobicContact CG2-CZ3 4.19Å; H261-W265 WeakPolarHBondContact O-CB 3.45Å; H261-W265 PolarHBondContact O-N 2.94Å; I263-W265 VanDerWaalsContact C-N 3.33Å; I263-W265 PolarHBondContact O-N 3.3Å; W265-K268 PolarHBondContact O-N 3.46Å; W265-A269 WeakPolarHBondContact O-CB 3.12Å; W265-A269 PolarHBondContact O-N 3.43Å
266	M	88.4	Confident	80.9	Confident	22 Å²	22	64.5 Å²	64.5	11%	0.108	33%	0.329	C	S	.	.	H	α-helix	trans	-66.8	-45	178.5	-77.2	-170.1	70.2	0	0	112.1	A144 W146 L258 E262 I263 K268 A269 A270	A144-M266 HydrophobicContact CB-CE 3.99Å; A144-M266 WeakPolarHBondContact O-CE 3.47Å; W146-M266 HydrophobicContact CE3-CE 4.43Å; W146-M266 HydrophobicContact CE3-SD 3.51Å; W146-M266 VanDerWaalsContact CE3-SD 3.51Å; W146-M266 HydrophobicContact CZ3-SD 3.65Å; L258-M266 HydrophobicContact CD2-SD 3.8Å; E262-M266 WeakPolarHBondContact O-CB 3.42Å; E262-M266 WeakPolarHBondContact O-CG 3.44Å; E262-M266 PolarHBondContact O-N 3.49Å; I263-M266 PolarHBondContact O-N 3.11Å; M266-K268 VanDerWaalsContact C-N 3.35Å; M266-K268 PolarHBondContact O-N 2.9Å; M266-A269 PolarHBondContact O-N 2.91Å; M266-A270 WeakPolarHBondContact O-CB 3.47Å; M266-A270 PolarHBondContact O-N 3.05Å
267	K	89.3	Confident	79	Confident	76 Å²	76	68.5 Å²	68.5	33%	0.33	35%	0.35	S	S	.	.	H	α-helix	trans	-55	-50.2	172.3	-85.1	173.3	161.3	-91.6	0	111.1	E141 I263 A269 A270 N271	E141-K267 IonicContact OE1-NZ 2.64Å; E141-K267 PolarHBondContact OE1-NZ 3.19Å; E141-K267 IonicContact OE2-NZ 2.74Å; E141-K267 PolarHBondContact OE2-NZ 2.99Å; I263-K267 HydrophobicContact CG2-CD 4.24Å; I263-K267 WeakPolarHBondContact O-CB 3.48Å; I263-K267 PolarHBondContact O-N 3.13Å; K267-A269 VanDerWaalsContact C-N 3.32Å; K267-A269 PolarHBondContact O-N 2.98Å; K267-A270 PolarHBondContact O-N 2.99Å; K267-N271 WeakPolarHBondContact O-CB 3.42Å; K267-N271 PolarHBondContact O-N 3.07Å; K267-N271 PolarHBondContact O-ND2 2.94Å
268	K	89.3	Confident	76.6	Confident	168 Å²	168	69 Å²	69	73%	0.73	36%	0.362	S	S	*	.	H	α-helix	trans	-66.1	-30.8	180	-173.7	168.2	-176.3	169.1	0	113.4	D264 W265 M266 V272	D264-K268 WeakPolarHBondContact O-CB 3.11Å; D264-K268 PolarHBondContact O-N 3.03Å; W265-K268 PolarHBondContact O-N 3.46Å; M266-K268 VanDerWaalsContact C-N 3.35Å; M266-K268 PolarHBondContact O-N 2.9Å; K268-V272 WeakPolarHBondContact O-CG2 3.46Å
269	A	88.3	Confident	73.7	Confident	22 Å²	22	70.7 Å²	70.7	18%	0.182	38%	0.378	C	S	.	.	H	α-helix	trans	-84.3	-27.7	179.5	0	0	0	0	0	113.5	V119 W265 M266 K267	V119-A269 HydrophobicContact CB-CB 3.89Å; V119-A269 HydrophobicContact CG2-CB 3.86Å; W265-A269 WeakPolarHBondContact O-CB 3.12Å; W265-A269 PolarHBondContact O-N 3.43Å; M266-A269 PolarHBondContact O-N 2.91Å; K267-A269 VanDerWaalsContact C-N 3.32Å; K267-A269 PolarHBondContact O-N 2.98Å
270	A	85.2	Confident	71.1	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.008	40%	0.398	C	S	.	.	H	α-helix	trans	-76.8	-44.9	172.4	0	0	0	0	0	111.7	V119 P121 M142 A144 M266 K267 V272	V119-A270 HydrophobicContact CG1-CB 3.99Å; P121-A270 WeakPolarHBondContact CA-O 3.16Å; P121-A270 WeakPolarHBondContact CB-O 3.37Å; M142-A270 HydrophobicContact CB-CB 4.34Å; M142-A270 WeakPolarHBondContact CE-O 3.44Å; A144-A270 HydrophobicContact CB-CB 4.42Å; M266-A270 WeakPolarHBondContact O-CB 3.47Å; M266-A270 PolarHBondContact O-N 3.05Å; K267-A270 PolarHBondContact O-N 2.99Å; A270-V272 VanDerWaalsContact C-N 3.32Å; A270-V272 PolarHBondContact O-N 3.21Å
271	N	85.8	Confident	68.3	Low	39 Å²	39	74.2 Å²	74.2	21%	0.209	40%	0.404	C	S	.	.	S	Bend	trans	-94	39.8	-172	-56.8	-25.7	0	0	0	112.9	S130 M142 K267	S130-N271 VanDerWaalsContact CB-OD1 3.26Å; S130-N271 WeakPolarHBondContact CB-OD1 3.42Å; S130-N271 VanDerWaalsContact OG-CA 3.29Å; S130-N271 WeakPolarHBondContact OG-CA 3.47Å; M142-N271 PolarHBondContact N-OD1 3.08Å; K267-N271 WeakPolarHBondContact O-CB 3.42Å; K267-N271 PolarHBondContact O-N 3.07Å; K267-N271 PolarHBondContact O-ND2 2.94Å
272	V	79.7	Confident	65.6	Low	51 Å²	51	74.1 Å²	74.1	31%	0.309	42%	0.415	S	S	.	.			trans	-79.9	122.1	174.8	-177.3	0	0	0	0	109.5	P121 K268 A270	P121-V272 HydrophobicContact CB-CB 4.07Å; P121-V272 HydrophobicContact CG-CB 4.49Å; K268-V272 WeakPolarHBondContact O-CG2 3.46Å; A270-V272 VanDerWaalsContact C-N 3.32Å; A270-V272 PolarHBondContact O-N 3.21Å
273	S	60.8	Low	62.7	Low	39 Å²	39	81.4 Å²	81.4	27%	0.273	45%	0.446	S	S	.	.			trans	-57.4	143.1	178.8	60	0	0	0	0	113.1	E131 A275 Y276	E131-S273 WeakPolarHBondContact OE1-CB 3.01Å; E131-S273 VanDerWaalsContact OE2-CA 3.3Å; E131-S273 WeakPolarHBondContact OE2-CA 3.48Å; S273-A275 PolarHBondContact O-N 3.12Å; S273-Y276 PolarHBondContact O-N 2.99Å
274	G	51.6	Low	59.9	Low	25 Å²	25	84.3 Å²	84.3	26%	0.258	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-58.9	-20.6	-174	0	0	0	0	0	115.5	E131 Y276 L277	E131-G274 PolarHBondContact OE2-N 3.14Å; E131-G274 VanDerWaalsContact OE2-N 3.15Å; G274-Y276 PolarHBondContact O-N 2.86Å; G274-L277 PolarHBondContact O-N 3.15Å; G274-L277 VanDerWaalsContact O-N 3.07Å
275	A	45.4	Very low	56.9	Low	79 Å²	79	90.1 Å²	90.1	65%	0.653	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-55	-23.3	179.4	0	0	0	0	0	115	S273	S273-A275 PolarHBondContact O-N 3.12Å
276	Y	42.7	Very low	54.3	Low	143 Å²	143	93.1 Å²	93.1	56%	0.561	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-87.9	-5	179.8	-87.7	-75	0	0	0	115.1	S273 G274 L281	S273-Y276 PolarHBondContact O-N 2.99Å; G274-Y276 PolarHBondContact O-N 2.86Å; Y276-L281 HydrophobicContact CD1-CD1 3.95Å; Y276-L281 HydrophobicContact CD1-CD2 3.95Å; Y276-L281 HydrophobicContact CE1-CD1 4.37Å; Y276-L281 HydrophobicContact CE1-CD2 4.02Å
277	L	45.6	Very low	51.7	Low	101 Å²	101	99.5 Å²	99.5	53%	0.529	54%	0.539	S	S	.	.	S	Bend	trans	-87.7	-6.5	-174.2	-61.8	178	0	0	0	114.5	P121 I122 G274	P121-L277 HydrophobicContact CG-CD2 4.34Å; I122-L277 HydrophobicContact CD1-CD1 4.25Å; G274-L277 PolarHBondContact O-N 3.15Å; G274-L277 VanDerWaalsContact O-N 3.07Å
278	T	38	Very low	48.8	Very low	129 Å²	129	101.2 Å²	101.2	79%	0.791	56%	0.561	S	S	*	*	S	Bend	trans	-114.2	6	-172.9	54.7	0	0	0	0	114.9
279	A	29.8	Very low	46.4	Very low	52 Å²	52	99.1 Å²	99.1	43%	0.43	56%	0.564	S	S	.	*	S	Bend	trans	-124.6	131.3	-178.6	0	0	0	0	0	112.5	L281	A279-L281 PolarHBondContact O-N 3.43Å
280	P	35	Very low	43.6	Very low	120 Å²	120	106.4 Å²	106.4	78%	0.779	59%	0.594	S	S	*	*			trans	-68.4	112.2	166.4	28.7	-31.8	0	0	0	108.8	S282	P280-S282 PolarHBondContact O-N 3.24Å
281	L	32.7	Very low	41.2	Very low	135 Å²	135	112.5 Å²	112.5	71%	0.707	63%	0.634	S	S	*	*			trans	-77.1	70.6	-173.8	-67.4	-178.7	0	0	0	113.4	Y276 A279	Y276-L281 HydrophobicContact CD1-CD1 3.95Å; Y276-L281 HydrophobicContact CD1-CD2 3.95Å; Y276-L281 HydrophobicContact CE1-CD1 4.37Å; Y276-L281 HydrophobicContact CE1-CD2 4.02Å; A279-L281 PolarHBondContact O-N 3.43Å
282	S	31.4	Very low	38.6	Very low	98 Å²	98	118.5 Å²	118.5	69%	0.685	66%	0.664	S	S	*	*			trans	-110.8	99.7	151.1	59	0	0	0	0	108.6	P280	P280-S282 PolarHBondContact O-N 3.24Å
283	F	28.7	Very low	36.1	Very low	187 Å²	187	123.4 Å²	123.4	82%	0.82	69%	0.688	S	S	*	*			trans	-166.8	116.3	152.9	-122.8	-121.8	0	0	0	105.8
284	S	32.5	Very low	34.8	Very low	91 Å²	91	130 Å²	130	64%	0.636	71%	0.714	S	S	*	*				77	109.7	83.8	-59	0	0	0	0	112.1
285	F	26.3	Very low	34	Very low	204 Å²	204	136.2 Å²	136.2	90%	0.895	74%	0.736	S	S	*	*			trans	-79.5	123.4	177.7	-167.8	-90.5	0	0	0	109.4
286	Q	33.9	Very low	33.4	Very low	174 Å²	174	139 Å²	139	81%	0.813	74%	0.74	S	S	*	*			trans	-142.2	154.1	172.9	-113.7	177.7	-35.8	0	0	110.6
287	Q	34	Very low	32.9	Very low	156 Å²	156	141 Å²	141	73%	0.729	75%	0.754	S	S	*	*			trans	-105.4	145.6	-156.5	-59.5	143	-75.8	0	0	113.3
288	S	28.7	Very low	32.4	Very low	111 Å²	111	141.2 Å²	141.2	78%	0.776	77%	0.771	S	S	*	*			trans	61	162.4	152.6	63.9	0	0	0	0	117.4
289	P	39.1	Very low	32.2	Very low	124 Å²	124	142.4 Å²	142.4	81%	0.805	77%	0.771	S	S	*	*				-134	171	80.3	38.8	-26.7	0	0	0	114.5
290	E	29.8	Very low	32.4	Very low	175 Å²	175	147.5 Å²	147.5	82%	0.818	79%	0.786	S	S	*	*			trans	-79.1	159.8	167.2	-64.6	-175	138	0	0	111.6
291	P	33.1	Very low	32.3	Very low	130 Å²	130	147.3 Å²	147.3	84%	0.844	79%	0.788	S	S	*	*			trans	-80.2	137.3	172.1	32.9	-33.3	0	0	0	111.6
292	I	31.8	Very low	32.4	Very low	164 Å²	164	146.3 Å²	146.3	84%	0.841	79%	0.792	S	S	*	*			trans	-123	144.4	169.3	-63	-179	0	0	0	108.9
293	I	27.5	Very low	32.6	Very low	155 Å²	155	152.2 Å²	152.2	80%	0.795	80%	0.799	S	S	*	*			trans	-83.2	151.6	-171.7	-61	154.1	0	0	0	110.5
294	E	33.5	Very low	32.9	Very low	177 Å²	177	149.1 Å²	149.1	83%	0.827	80%	0.798	S	S	*	*			trans	-159.9	143.4	142.6	-109.1	171.5	-155.8	0	0	112.3
295	H	33.8	Very low	32.9	Very low	156 Å²	156	148.3 Å²	148.3	72%	0.722	79%	0.793	S	S	*	*			trans	-5.8	144.9	172.2	-58.7	-80.4	0	0	0	121.5
296	N	33.7	Very low	33.2	Very low	138 Å²	138	148.3 Å²	148.3	74%	0.738	79%	0.793	S	S	*	*				-157.2	149.1	51.4	-82	-71.1	0	0	0	116.4
297	E	31.8	Very low	33	Very low	183 Å²	183	147.3 Å²	147.3	86%	0.855	79%	0.792	S	S	*	*			trans	19.3	118.7	145.9	-50.8	-172.3	137	0	0	123.2
298	A	36.4	Very low	33	Very low	107 Å²	107	147 Å²	147	88%	0.884	79%	0.794	S	S	*	*			trans	-168.3	149.7	130.6	0	0	0	0	0	113.6
299	L	32.6	Very low	33.1	Very low	153 Å²	153	147.1 Å²	147.1	80%	0.801	79%	0.79	S	S	*	*			trans	-81.6	169.8	179.4	-56.8	151.7	0	0	0	111.3
300	Q	33.7	Very low	32.6	Very low	159 Å²	159	146 Å²	146	74%	0.743	79%	0.785	S	S	*	*			cis	-170.9	160.6	-19.7	-105.8	-179.3	6.9	0	0	107.8
301	S	33.2	Very low	32.8	Very low	117 Å²	117	143.4 Å²	143.4	82%	0.818	78%	0.782	S	S	*	*			trans	65.8	157.3	163.1	76.8	0	0	0	0	118
302	S	35.4	Very low	32.6	Very low	113 Å²	113	141.7 Å²	141.7	79%	0.79	77%	0.772	S	S	*	*			cis	-156.2	162.2	-11.1	31.7	0	0	0	0	112.8
303	R	34.8	Very low	32.6	Very low	222 Å²	222	142 Å²	142	84%	0.838	77%	0.771	S	S	*	*			trans	-64	174.4	165.7	-85.9	179.1	179	177.8	-0.4	112.5
304	P	36.4	Very low	32.8	Very low	122 Å²	122	139 Å²	139	79%	0.792	76%	0.759	S	S	*	*			cis	-144.7	-155.5	33	36	-10.7	0	0	0	115.4
305	S	32.6	Very low	32.8	Very low	74 Å²	74	139.5 Å²	139.5	52%	0.517	76%	0.759	S	S	.	*				-177.9	132.5	-57.6	-73.9	0	0	0	0	109.9
306	F	31.6	Very low	32.5	Very low	205 Å²	205	140.7 Å²	140.7	90%	0.899	76%	0.764	S	S	*	*			trans	-167.4	118.2	156.2	-82.8	-68.5	0	0	0	105.4
307	L	30.4	Very low	32.5	Very low	153 Å²	153	138.4 Å²	138.4	80%	0.801	76%	0.757	S	S	*	*				59.6	127.6	53.5	-62.4	171.2	0	0	0	111.6
308	I	33	Very low	32.3	Very low	148 Å²	148	136.2 Å²	136.2	76%	0.759	76%	0.756	S	S	*	*				-156.3	145.4	64.9	-91.7	-179.8	0	0	0	113
309	T	30.6	Very low	32.3	Very low	114 Å²	114	135.7 Å²	135.7	70%	0.699	74%	0.743	S	S	*	*			trans	5.3	131.8	162.5	45.1	0	0	0	0	122
310	S	30.1	Very low	31.9	Very low	101 Å²	101	135.2 Å²	135.2	71%	0.706	74%	0.741	S	S	*	*				101.7	163.4	69.1	89	0	0	0	0	112.1
311	T	32.7	Very low	31.6	Very low	121 Å²	121	135.2 Å²	135.2	74%	0.742	74%	0.741	S	S	*	*			cis	-151.8	179.7	25.8	-22.5	0	0	0	0	112.7
312	S	28.7	Very low	31.3	Very low	93 Å²	93	134 Å²	134	65%	0.65	73%	0.733	S	S	*	*			trans	-45.9	158.6	170.3	49.7	0	0	0	0	115.3
313	E	32.5	Very low	30.8	Very low	172 Å²	172	132.9 Å²	132.9	80%	0.804	72%	0.724	S	S	*	*				-172.2	172.7	71.4	-91.8	-157.7	125.4	0	0	111.4
314	V	31.8	Very low	30.4	Very low	91 Å²	91	129.8 Å²	129.8	55%	0.552	72%	0.72	S	S	*	*			cis	-178.4	152.2	-34.7	130.6	0	0	0	0	106.5
315	K	33.1	Very low	30	Very low	188 Å²	188	131.1 Å²	131.1	82%	0.817	72%	0.718	S	S	*	*			trans	67.5	143.3	175.1	-71.5	153.2	-164.4	162.6	0	115.8
316	Q	26.7	Very low	29.7	Very low	181 Å²	181	130.4 Å²	130.4	85%	0.846	72%	0.723	S	S	*	*			cis	71.2	159.3	23.6	-78	-161.5	6.5	0	0	116.2
317	P	33.9	Very low	29.5	Very low	89 Å²	89	127.2 Å²	127.2	58%	0.578	72%	0.715	S	S	*	*			cis	-142.5	162	-36.7	38.8	-22.4	0	0	0	115.1
318	V	28.8	Very low	29.3	Very low	138 Å²	138	126.2 Å²	126.2	84%	0.836	71%	0.71	S	S	*	*			trans	53	-162.8	162.9	-116	0	0	0	0	114.6
319	P	34.8	Very low	29	Very low	95 Å²	95	125.7 Å²	125.7	62%	0.617	71%	0.709	S	S	*	*			cis	-123.8	-169.2	-38.8	35.3	-18.9	0	0	0	112.8
320	L	26	Very low	28.8	Very low	143 Å²	143	125.8 Å²	125.8	75%	0.749	71%	0.709	S	S	*	*			trans	70.1	154.1	160	-94	56	0	0	0	114.8
321	E	26.5	Very low	28.7	Very low	160 Å²	160	126.1 Å²	126.1	75%	0.748	71%	0.707	S	S	*	*			cis	-139.9	174.8	2.3	-153.8	144.6	-138.4	0	0	112.8
322	S	26.2	Very low	28.4	Very low	92 Å²	92	127.4 Å²	127.4	64%	0.643	71%	0.708	S	S	*	*			trans	-25.4	168.2	164.8	82.3	0	0	0	0	118.6
323	S	26	Very low	28.2	Very low	88 Å²	88	128.2 Å²	128.2	62%	0.615	71%	0.712	S	S	*	*			cis	-151.6	136.6	28.5	-91.8	0	0	0	0	110.5
324	Q	27	Very low	28.3	Very low	158 Å²	158	129.2 Å²	129.2	74%	0.738	71%	0.714	S	S	*	*				59.8	136.5	94.6	-57.6	-173	3.3	0	0	117
325	I	26.2	Very low	28.4	Very low	149 Å²	149	130.5 Å²	130.5	76%	0.764	72%	0.724	S	S	*	*			trans	58.4	123.9	145.2	-59.9	161.1	0	0	0	117.3
326	G	27.4	Very low	28.1	Very low	59 Å²	59	126 Å²	126	61%	0.608	72%	0.716	S	S	*	*			cis	-162.7	-158.4	5.1	0	0	0	0	0	113.1
327	N	26.9	Very low	28.2	Very low	138 Å²	138	126.5 Å²	126.5	74%	0.738	72%	0.715	S	S	*	*				54.2	116.6	88.4	-57.3	-12.5	0	0	0	111.1
328	N	26.8	Very low	28	Very low	132 Å²	132	132.9 Å²	132.9	71%	0.706	73%	0.728	S	S	*	*			cis	-162.2	-176	21.4	-123.9	-17.9	0	0	0	113.7
329	L	26.7	Very low	28	Very low	138 Å²	138	132.8 Å²	132.8	72%	0.723	72%	0.722	S	S	*	*			trans	2.9	139.3	146.6	-85.5	62.6	0	0	0	116.4
330	T	27.1	Very low	27.8	Very low	115 Å²	115	135.3 Å²	135.3	71%	0.706	73%	0.729	S	S	*	*			cis	-169.3	-179.3	35.7	-4.6	0	0	0	0	107.9
331	T	26.8	Very low	28	Very low	108 Å²	108	134.7 Å²	134.7	66%	0.663	72%	0.722	S	S	*	*			cis	-161	158.5	18.3	-8.4	0	0	0	0	111
332	I	26.2	Very low	28.4	Very low	149 Å²	149	135.3 Å²	135.3	76%	0.764	72%	0.722	S	S	*	*				28.3	131.9	127.5	-69.1	174.2	0	0	0	118.1
333	C	25.7	Very low	28.8	Very low	109 Å²	109	135.9 Å²	135.9	74%	0.736	73%	0.726	S	S	*	*			cis	-167.6	175	0	-120.8	0	0	0	0	113.3
334	K	33.2	Very low	29.1	Very low	194 Å²	194	139 Å²	139	84%	0.843	74%	0.735	S	S	*	*			trans	-80.5	139.8	152.3	-60.8	171.9	-176.6	171.1	0	108.8
335	P	34.8	Very low	29.5	Very low	117 Å²	117	136.1 Å²	136.1	76%	0.76	73%	0.729	S	S	*	*				-137.2	154.8	100.4	37.9	-26.5	0	0	0	111.9
336	S	26.2	Very low	29.9	Very low	93 Å²	93	135.1 Å²	135.1	65%	0.65	73%	0.725	S	S	*	*			cis	82.6	122.7	28.7	-163.1	0	0	0	0	114.7
337	K	28.8	Very low	30	Very low	193 Å²	193	143.6 Å²	143.6	84%	0.839	74%	0.739	S	S	*	*			trans	69.8	135.2	178.5	-49.8	169.7	-175.7	178.4	0	112.4
338	R	29.4	Very low	30.2	Very low	223 Å²	223	142.6 Å²	142.6	84%	0.842	74%	0.738	S	S	*	*			cis	-148.2	142.2	31	-108.6	141.5	172.3	-173.1	-4.7	109.9
339	L	28.6	Very low	30.5	Very low	135 Å²	135	144.7 Å²	144.7	71%	0.707	75%	0.748	S	S	*	*				69.2	113.9	89.9	-115.7	157.2	0	0	0	111.7
340	I	31.4	Very low	30.7	Very low	148 Å²	148	141.3 Å²	141.3	76%	0.759	75%	0.746	S	S	*	*				-177.6	150.9	83.6	-87.8	165.6	0	0	0	107.8
341	Q	30.9	Very low	31	Very low	131 Å²	131	141 Å²	141	61%	0.612	75%	0.748	S	S	*	*			cis	-177.6	145.2	-13.6	171.4	171.4	-86.9	0	0	111.2
342	K	33.8	Very low	31.3	Very low	172 Å²	172	145.4 Å²	145.4	75%	0.748	76%	0.758	S	S	*	*			trans	63	143.2	169.1	-72.5	164.2	-172.4	-176.8	0	115.3
343	S	35.5	Very low	31.6	Very low	105 Å²	105	143.6 Å²	143.6	73%	0.734	76%	0.759	S	S	*	*			cis	-161	164	10.9	17.2	0	0	0	0	109.5
344	L	32.9	Very low	31.9	Very low	152 Å²	152	144.9 Å²	144.9	80%	0.796	76%	0.759	S	S	*	*			cis	-140.7	-102.6	-0.2	-150.6	68.9	0	0	0	114.2
345	T	34.5	Very low	31.8	Very low	99 Å²	99	145.9 Å²	145.9	61%	0.607	76%	0.757	S	S	*	*			trans	-162.1	167.8	-151.7	46.9	0	0	0	0	110.2
346	D	33.6	Very low	31.7	Very low	127 Å²	127	149.3 Å²	149.3	68%	0.679	76%	0.76	S	S	*	*			cis	-162.9	166	-18	-91.3	-22.7	0	0	0	106.6
347	W	31.4	Very low	31.8	Very low	238 Å²	238	149.2 Å²	149.2	90%	0.902	76%	0.759	S	S	*	*				-164.7	169.6	65.7	-101.2	70.8	0	0	0	111.6
348	T	30.9	Very low	31.8	Very low	117 Å²	117	145.6 Å²	145.6	72%	0.718	75%	0.754	S	S	*	*			trans	-150.3	-176.9	-167.1	58.3	0	0	0	0	115.6
349	L	31.4	Very low	31.9	Very low	176 Å²	176	143.1 Å²	143.1	92%	0.921	76%	0.757	S	S	*	*			trans	86.3	145.1	168.6	-53	164.3	0	0	0	116.4
350	G	31.2	Very low	31.8	Very low	66 Å²	66	142.2 Å²	142.2	68%	0.68	76%	0.762	S	S	*	*			cis	-149.1	-169	-5.9	0	0	0	0	0	110.4
351	S	33	Very low	31.9	Very low	108 Å²	108	142.6 Å²	142.6	76%	0.755	76%	0.764	S	S	*	*			cis	-157.6	163.6	11.9	-78.3	0	0	0	0	112.6
352	K	33.5	Very low	32	Very low	201 Å²	201	144.4 Å²	144.4	87%	0.874	77%	0.772	S	S	*	*			trans	19.4	135.3	143.6	-52.1	165.4	-172.2	173.8	0	117.9
353	S	33.4	Very low	31.8	Very low	112 Å²	112	140.6 Å²	140.6	78%	0.783	77%	0.773	S	S	*	*			cis	-170.5	-161.1	6.3	55.3	0	0	0	0	107.9
354	N	31.4	Very low	31.9	Very low	136 Å²	136	141 Å²	141	73%	0.727	77%	0.773	S	S	*	*			cis	-147.5	-112	4.9	-161.1	-18.4	0	0	0	113.1
355	R	30.6	Very low	31.9	Very low	215 Å²	215	140.3 Å²	140.3	81%	0.811	77%	0.77	S	S	*	*			trans	-155	161.3	-159.3	-79.2	174.9	169.5	173.9	-3.2	116.1
356	K	32.7	Very low	31.7	Very low	189 Å²	189	143.2 Å²	143.2	82%	0.822	78%	0.776	S	S	*	*			trans	65.8	165.8	154.2	-76.7	179.7	177.5	-170.7	0	119.5
357	S	29.1	Very low	31.6	Very low	90 Å²	90	141.9 Å²	141.9	63%	0.629	77%	0.773	S	S	*	*				-170.4	141.3	-51.1	49.6	0	0	0	0	112.4
358	T	28.1	Very low	31.6	Very low	118 Å²	118	138.2 Å²	138.2	72%	0.724	77%	0.766	S	S	*	*			trans	45	121.1	149.2	55.3	0	0	0	0	122.2
359	N	31.5	Very low	31.5	Very low	170 Å²	170	138.5 Å²	138.5	91%	0.909	76%	0.763	S	S	*	*				179.9	175.4	114.9	-90.7	-5.2	0	0	0	112.9
360	S	26.5	Very low	31.6	Very low	116 Å²	116	136 Å²	136	81%	0.811	76%	0.755	S	S	*	*			trans	-137.6	123.1	-167.1	164.4	0	0	0	0	112.8
361	I	34	Very low	31.6	Very low	157 Å²	157	139.4 Å²	139.4	81%	0.805	76%	0.757	S	S	*	*			trans	-154.7	153.8	170.1	-58.9	-175.9	0	0	0	107
362	Q	32.7	Very low	31.6	Very low	168 Å²	168	140.6 Å²	140.6	79%	0.785	75%	0.754	S	S	*	*			cis	179.3	133.7	-39.4	179.9	171.7	-12.7	0	0	107.9
363	A	31	Very low	31.4	Very low	92 Å²	92	138.6 Å²	138.6	76%	0.76	75%	0.748	S	S	*	*			trans	65.6	164.9	158.7	0	0	0	0	0	120.7
364	P	37.1	Very low	31.3	Very low	113 Å²	113	141 Å²	141	73%	0.734	75%	0.751	S	S	*	*			trans	-122	-158.8	-168	44.4	-29.3	0	0	0	112.7
365	L	31.6	Very low	31.2	Very low	138 Å²	138	138.9 Å²	138.9	72%	0.723	75%	0.747	S	S	*	*			trans	172.4	142	135.1	-89.8	159.1	0	0	0	111.6
366	Q	31.2	Very low	31.1	Very low	160 Å²	160	134.6 Å²	134.6	75%	0.748	75%	0.745	S	S	*	*			trans	49.2	152.9	137.8	-67.4	175.8	-19.3	0	0	121.3
367	T	30.6	Very low	30.7	Very low	100 Å²	100	134 Å²	134	61%	0.613	75%	0.745	S	S	*	*			cis	-168.2	146.5	0.3	18.6	0	0	0	0	109.9
368	E	31.5	Very low	30.8	Very low	160 Å²	160	136.8 Å²	136.8	75%	0.748	75%	0.753	S	S	*	*			trans	60.5	165.2	138.6	-63.8	-174.4	-150.6	0	0	121
369	N	30.1	Very low	30.9	Very low	123 Å²	123	138.8 Å²	138.8	66%	0.658	75%	0.754	S	S	*	*			cis	-162.5	179.7	-25	-104.6	-25.4	0	0	0	109.5
370	T	33.5	Very low	30.8	Very low	123 Å²	123	137.8 Å²	137.8	76%	0.755	75%	0.746	S	S	*	*			trans	70.9	125.4	168.2	7	0	0	0	0	115.7
371	I	31	Very low	30.9	Very low	139 Å²	139	138.3 Å²	138.3	71%	0.713	75%	0.745	S	S	*	*			cis	79.3	84.9	25.1	-45.6	172.6	0	0	0	114.7
372	N	32.7	Very low	30.8	Very low	132 Å²	132	139.5 Å²	139.5	71%	0.706	74%	0.744	S	S	*	*				-174	161.9	110.3	-107.8	-48.9	0	0	0	115.9
373	Q	30.2	Very low	30.6	Very low	160 Å²	160	137.6 Å²	137.6	75%	0.748	74%	0.743	S	S	*	*			trans	-50.5	156.6	179	-53.5	152.9	62.5	0	0	116.2
374	L	30.3	Very low	30.6	Very low	161 Å²	161	141.5 Å²	141.5	84%	0.843	75%	0.746	S	S	*	*				-175.6	141.5	112.6	-96.3	155.2	0	0	0	113.7
375	S	29.9	Very low	30.3	Very low	93 Å²	93	141.3 Å²	141.3	65%	0.65	75%	0.747	S	S	*	*			trans	43.8	113	153	-54.7	0	0	0	0	123.1
376	T	27.7	Very low	30.6	Very low	125 Å²	125	139.6 Å²	139.6	77%	0.767	74%	0.744	S	S	*	*			trans	39.6	116.7	134	57.3	0	0	0	0	121.8
377	E	25.4	Very low	30.7	Very low	175 Å²	175	138.3 Å²	138.3	82%	0.818	75%	0.75	S	S	*	*			trans	47.8	102.3	139.3	-55.9	-171.2	167.2	0	0	119.9
378	N	29.8	Very low	30.7	Very low	149 Å²	149	142.7 Å²	142.7	80%	0.797	76%	0.76	S	S	*	*				-177.6	161.3	108.8	-99.7	-62.8	0	0	0	115.6
379	E	30.3	Very low	30.7	Very low	161 Å²	161	146.6 Å²	146.6	75%	0.752	77%	0.768	S	S	*	*			trans	64.9	149.9	152.7	-78.8	-171	115.4	0	0	125.6
380	M	30.5	Very low	30.7	Very low	148 Å²	148	147.2 Å²	147.2	73%	0.729	78%	0.776	S	S	*	*			trans	53.1	107	148.6	-66.6	161	67	0	0	120.7
381	T	28.2	Very low	30.7	Very low	128 Å²	128	146.4 Å²	146.4	79%	0.785	78%	0.775	S	S	*	*				77.7	88.4	62.5	67.4	0	0	0	0	118.3
382	K	30.6	Very low	30.7	Very low	182 Å²	182	150.9 Å²	150.9	79%	0.791	78%	0.783	S	S	*	*			trans	-170.3	139.4	139.6	-101.3	-171.6	173	-167.9	0	106.5
383	V	28.8	Very low	30.6	Very low	127 Å²	127	152.6 Å²	152.6	77%	0.77	79%	0.792	S	S	*	*			cis	67.1	94.4	45	-174.1	0	0	0	0	113.2
384	E	31	Very low	30.6	Very low	175 Å²	175	157 Å²	157	82%	0.818	80%	0.801	S	S	*	*			trans	-171.3	165.7	135.8	-109.7	162.2	-142	0	0	113.1
385	S	30.8	Very low	30.7	Very low	109 Å²	109	160.4 Å²	160.4	76%	0.762	80%	0.803	S	S	*	*			trans	-167.9	178.6	178.5	66.9	0	0	0	0	109.3
386	P	38.2	Very low	30.8	Very low	102 Å²	102	161.1 Å²	161.1	66%	0.662	81%	0.808	S	S	*	*				-112.1	-175.2	-56.7	40.5	-29.9	0	0	0	110.2
387	P	33.8	Very low	31	Very low	132 Å²	132	159.9 Å²	159.9	86%	0.857	80%	0.804	S	S	*	*			trans	-108.7	143.6	160.5	34.6	-27.4	0	0	0	113.7
388	K	30.9	Very low	31.2	Very low	193 Å²	193	159.7 Å²	159.7	84%	0.839	81%	0.808	S	S	*	*			trans	-102.5	143.7	175.9	-54.3	163	-177.1	169	0	109.8
389	R	30.8	Very low	31.2	Very low	242 Å²	242	157.4 Å²	157.4	91%	0.913	80%	0.802	S	S	*	*			trans	-175.9	108	136.8	-105.1	160.4	-178.2	173.2	1.2	116.6
390	V	30.6	Very low	31.1	Very low	136 Å²	136	154.6 Å²	154.6	82%	0.824	81%	0.807	S	S	*	*				34.5	118.8	124	-175	0	0	0	0	119.7
391	S	32.3	Very low	31.8	Very low	105 Å²	105	151.2 Å²	151.2	73%	0.734	80%	0.797	S	S	*	*				-171.8	124.6	112.6	64.2	0	0	0	0	117.5
392	R	32.2	Very low	32.6	Very low	234 Å²	234	150.9 Å²	150.9	88%	0.883	79%	0.79	S	S	*	*			trans	51.1	100.6	136.2	-63	179	176.7	160.3	0.1	122.3
393	L	29.2	Very low	33.2	Very low	168 Å²	168	144.8 Å²	144.8	88%	0.88	77%	0.774	S	S	*	*				54.3	111.1	107.5	-148.2	85.2	0	0	0	120.6
394	R	32.2	Very low	34.1	Very low	251 Å²	251	144 Å²	144	95%	0.947	76%	0.758	S	S	*	*			trans	-150.4	166.8	135.2	-116.7	176.6	-172.7	-164.9	1.1	112.5
395	R	30.8	Very low	34.6	Very low	234 Å²	234	142.1 Å²	142.1	88%	0.883	75%	0.749	S	S	*	*			trans	-97.9	179.3	-169.2	-73.5	177.7	167.5	174.2	-5.5	112.5
396	S	31.6	Very low	35	Very low	108 Å²	108	139.5 Å²	139.5	76%	0.755	74%	0.74	S	S	*	*			trans	65.7	113	170.4	34.3	0	0	0	0	114.8
397	S	33.8	Very low	35.2	Very low	99 Å²	99	140.4 Å²	140.4	69%	0.692	74%	0.738	S	S	*	*			cis	93.4	142.5	44.5	70.9	0	0	0	0	112.8
398	L	29.1	Very low	35.4	Very low	170 Å²	170	139.8 Å²	139.8	89%	0.89	73%	0.727	S	S	*	*			trans	70.5	100.9	178	-49	169.3	0	0	0	114.6
399	C	28.7	Very low	35.5	Very low	101 Å²	101	141.1 Å²	141.1	68%	0.682	73%	0.726	S	S	*	*				176.4	107.9	101.5	-166.2	0	0	0	0	111.7
400	A	29	Very low	35.7	Very low	102 Å²	102	134.3 Å²	134.3	84%	0.843	72%	0.716	S	S	*	*	S	Bend	trans	-148.6	38.8	162.1	0	0	0	0	0	109.4
401	S	45.5	Very low	35.9	Very low	76.5 Å²	76.5	132.8 Å²	132.8	54%	0.535	71%	0.71	S	S	.	*	H	α-helix	trans	-111.2	-3.4	-176.8	-116.6	0	0	0	0	112.8	W404 Q405	S401-W404 PolarHBondContact O-N 3.48Å; S401-Q405 WeakPolarHBondContact O-CG 3.49Å; S401-Q405 PolarHBondContact O-N 3.29Å
402	L	44.8	Very low	35.9	Very low	121.5 Å²	121.5	133.9 Å²	133.9	64%	0.636	71%	0.708	S	S	*	*	H	α-helix	trans	-100.4	13.6	176	-74.3	172.9	0	0	0	111.8	W404 Q405 G406	L402-W404 VanDerWaalsContact C-N 3.33Å; L402-W404 PolarHBondContact O-N 3.49Å; L402-Q405 PolarHBondContact O-N 3.38Å; L402-G406 PolarHBondContact O-N 3.2Å
403	A	43.4	Very low	35.8	Very low	55 Å²	55	132.1 Å²	132.1	46%	0.455	70%	0.701	S	S	.	*	H	α-helix	trans	-99.6	-129.2	160.4	0	0	0	0	0	108.8	G406 L407	A403-G406 PolarHBondContact O-N 3.23Å; A403-L407 PolarHBondContact O-N 3.17Å
404	W	46.6	Very low	35.9	Very low	111 Å²	111	129.5 Å²	129.5	42%	0.42	70%	0.697	S	S	.	*	H	α-helix	trans	-0.3	1.4	-178.9	-120.5	172.5	0	0	0	114.8	T259 H261 S401 L402 L407 L408	T259-W404 HydrophobicContact CG2-CH2 4.18Å; H261-W404 HydrophobicContact CB-CZ2 4.01Å; H261-W404 AromaticContact CD2-NE1 3.75Å; H261-W404 AromaticContact CE1-NE1 3.33Å; H261-W404 PolarHBondContact CE1-NE1 2.88Å; H261-W404 VanDerWaalsContact CE1-NE1 3.33Å; H261-W404 AromaticContact CG-CZ2 3.84Å; H261-W404 AromaticContact CG-NE1 3.91Å; H261-W404 AromaticContact ND1-CE2 3.94Å; H261-W404 AromaticContact ND1-CZ2 3.75Å; H261-W404 AromaticContact ND1-NE1 3.64Å; H261-W404 AromaticContact NE2-NE1 3.37Å; H261-W404 PolarHBondContact NE2-NE1 3.16Å; S401-W404 PolarHBondContact O-N 3.48Å; L402-W404 VanDerWaalsContact C-N 3.33Å; L402-W404 PolarHBondContact O-N 3.49Å; W404-L407 HydrophobicContact CE3-CD2 3.97Å; W404-L407 HydrophobicContact CZ3-CD2 3.78Å; W404-L407 WeakPolarHBondContact O-CB 3.3Å; W404-L407 PolarHBondContact O-N 2.76Å; W404-L408 HydrophobicContact CZ2-CD2 4.34Å; W404-L408 WeakPolarHBondContact O-CG 3.45Å; W404-L408 PolarHBondContact O-N 3.19Å
405	Q	42	Very low	35.8	Very low	134 Å²	134	126.3 Å²	126.3	63%	0.626	69%	0.69	S	S	*	*	H	α-helix	trans	-98.8	31	161.6	-73.7	-174.8	28.9	0	0	110.7	S401 L402 L407 R409	S401-Q405 WeakPolarHBondContact O-CG 3.49Å; S401-Q405 PolarHBondContact O-N 3.29Å; L402-Q405 PolarHBondContact O-N 3.38Å; Q405-L407 VanDerWaalsContact C-N 3.35Å; Q405-R409 WeakPolarHBondContact O-CB 3.5Å; Q405-R409 VanDerWaalsContact O-CG 3.31Å; Q405-R409 WeakPolarHBondContact O-CG 3.47Å; Q405-R409 PolarHBondContact O-N 3.12Å; Q405-R409 VanDerWaalsContact O-N 3.08Å
406	G	40.6	Very low	35.8	Very low	55.5 Å²	55.5	121.2 Å²	121.2	57%	0.572	69%	0.687	S	S	*	*	H	α-helix	trans	-117.4	-7.1	-178.2	0	0	0	0	0	114.7	L402 A403 S410	L402-G406 PolarHBondContact O-N 3.2Å; A403-G406 PolarHBondContact O-N 3.23Å; G406-S410 PolarHBondContact O-N 3.09Å; G406-S410 PolarHBondContact O-OG 2.84Å
407	L	40.6	Very low	35.6	Very low	120 Å²	120	123.7 Å²	123.7	63%	0.628	69%	0.691	S	S	*	*	H	α-helix	trans	-114.6	-122.3	171.2	-135.6	114	0	0	0	110.4	A403 W404 Q405 R409 S410 C411	A403-L407 PolarHBondContact O-N 3.17Å; W404-L407 HydrophobicContact CE3-CD2 3.97Å; W404-L407 HydrophobicContact CZ3-CD2 3.78Å; W404-L407 WeakPolarHBondContact O-CB 3.3Å; W404-L407 PolarHBondContact O-N 2.76Å; Q405-L407 VanDerWaalsContact C-N 3.35Å; L407-R409 PolarHBondContact O-N 3.39Å; L407-S410 WeakPolarHBondContact O-CA 3.34Å; L407-S410 VanDerWaalsContact O-CB 3.29Å; L407-S410 WeakPolarHBondContact O-CB 3.46Å; L407-S410 PolarHBondContact O-N 3.3Å; L407-C411 PolarHBondContact O-N 3.5Å; L407-C411 VanDerWaalsContact O-N 3.14Å; L407-C411 PolarHBondContact O-SG 2.87Å; L407-C411 VanDerWaalsContact O-SG 3.4Å
408	L	37.9	Very low	35.4	Very low	119.5 Å²	119.5	126.9 Å²	126.9	63%	0.626	70%	0.695	S	S	*	*	H	α-helix	trans	4.3	1.7	178.8	-70.1	164.3	0	0	0	114.2	W404 S410 C411 D412	W404-L408 HydrophobicContact CZ2-CD2 4.34Å; W404-L408 WeakPolarHBondContact O-CG 3.45Å; W404-L408 PolarHBondContact O-N 3.19Å; L408-S410 PolarHBondContact O-N 2.96Å; L408-S410 VanDerWaalsContact O-N 3.07Å; L408-C411 PolarHBondContact O-N 2.63Å; L408-D412 PolarHBondContact O-N 3.25Å
409	R	34.6	Very low	35.4	Very low	220 Å²	220	124.8 Å²	124.8	83%	0.83	69%	0.685	S	S	*	*	H	α-helix	trans	-89.1	30.9	160.8	-76.2	-178.9	-179	-107.2	4.2	112	Q405 L407	Q405-R409 WeakPolarHBondContact O-CB 3.5Å; Q405-R409 VanDerWaalsContact O-CG 3.31Å; Q405-R409 WeakPolarHBondContact O-CG 3.47Å; Q405-R409 PolarHBondContact O-N 3.12Å; Q405-R409 VanDerWaalsContact O-N 3.08Å; L407-R409 PolarHBondContact O-N 3.39Å
410	S	34	Very low	35.4	Very low	98.5 Å²	98.5	130 Å²	130	69%	0.689	69%	0.69	S	S	*	*	H	α-helix	trans	-127.3	34	167.1	-74.3	0	0	0	0	111.5	G406 L407 L408	G406-S410 PolarHBondContact O-N 3.09Å; G406-S410 PolarHBondContact O-OG 2.84Å; L407-S410 WeakPolarHBondContact O-CA 3.34Å; L407-S410 VanDerWaalsContact O-CB 3.29Å; L407-S410 WeakPolarHBondContact O-CB 3.46Å; L407-S410 PolarHBondContact O-N 3.3Å; L408-S410 PolarHBondContact O-N 2.96Å; L408-S410 VanDerWaalsContact O-N 3.07Å
411	C	34.6	Very low	35.4	Very low	105 Å²	105	130 Å²	130	71%	0.709	68%	0.684	S	S	*	*	H	α-helix	trans	-125	35.3	168.9	-78.7	0	0	0	0	109.9	L407 L408 R413 S414	L407-C411 PolarHBondContact O-N 3.5Å; L407-C411 VanDerWaalsContact O-N 3.14Å; L407-C411 PolarHBondContact O-SG 2.87Å; L407-C411 VanDerWaalsContact O-SG 3.4Å; L408-C411 PolarHBondContact O-N 2.63Å; C411-R413 PolarHBondContact O-N 3.36Å; C411-S414 PolarHBondContact O-N 3.46Å; C411-S414 PolarHBondContact O-OG 3.3Å
412	D	32.4	Very low	34.6	Very low	128 Å²	128	134.6 Å²	134.6	68%	0.684	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	67.8	-170.9	-86	-57.1	0	0	0	114.6	L408	L408-D412 PolarHBondContact O-N 3.25Å
413	R	29.8	Very low	33.7	Very low	196.5 Å²	196.5	136.7 Å²	136.7	74%	0.742	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-24.2	45.9	137.2	-76.9	-171.1	163.9	-144	2.5	115.2	C411 K415	C411-R413 PolarHBondContact O-N 3.36Å; R413-K415 VanDerWaalsContact C-N 3.27Å; R413-K415 PolarHBondContact O-N 2.92Å
414	S	32.1	Very low	33	Very low	113 Å²	113	139.8 Å²	139.8	79%	0.79	72%	0.715	S	S	*	*			trans	-116	75.6	163.7	61.7	0	0	0	0	111.9	C411	C411-S414 PolarHBondContact O-N 3.46Å; C411-S414 PolarHBondContact O-OG 3.3Å
415	K	30.4	Very low	32.1	Very low	184.5 Å²	184.5	142.6 Å²	142.6	80%	0.802	73%	0.732	S	S	*	*			trans	-130	126.7	164.5	-79.3	-171	178.7	-179.2	0	109.1	R413 L417	R413-K415 VanDerWaalsContact C-N 3.27Å; R413-K415 PolarHBondContact O-N 2.92Å; K415-L417 PolarHBondContact O-N 3.01Å
416	P	30.4	Very low	31.4	Very low	126 Å²	126	141.7 Å²	141.7	82%	0.818	74%	0.74	S	S	*	*			trans	-73.1	121.9	163	9.6	-2.9	0	0	0	109.3	Q418	P416-Q418 VanDerWaalsContact C-N 3.28Å; P416-Q418 PolarHBondContact O-N 2.64Å
417	L	27.5	Very low	30.8	Very low	161.5 Å²	161.5	149.5 Å²	149.5	85%	0.846	75%	0.753	S	S	*	*			trans	-86.6	106.7	162.5	-82.3	167.3	0	0	0	108.2	K415	K415-L417 PolarHBondContact O-N 3.01Å
418	Q	30	Very low	30.3	Very low	166 Å²	166	153.1 Å²	153.1	78%	0.776	76%	0.763	S	S	*	*			trans	-132.3	139.5	156.6	-89.5	-177.3	35.1	0	0	109.5	P416	P416-Q418 VanDerWaalsContact C-N 3.28Å; P416-Q418 PolarHBondContact O-N 2.64Å
419	N	28.8	Very low	30	Very low	125.5 Å²	125.5	151.8 Å²	151.8	67%	0.671	76%	0.764	S	S	*	*				-109.3	153.1	-87.5	-108	-33	0	0	0	112.2	R81	R81-N419 PolarHBondContact NH2-OD1 3.25Å
420	R	28.9	Very low	30	Very low	211.5 Å²	211.5	149.1 Å²	149.1	80%	0.798	76%	0.763	S	S	*	*			trans	-107.3	114	170.4	-100.6	176.6	176.4	-174.3	-2.6	113.3	R81	R81-R420 VanDerWaalsContact CZ-O 3.25Å; R81-R420 PolarHBondContact NH1-O 3.32Å; R81-R420 PolarHBondContact NH2-O 2.75Å
421	S	28.9	Very low	30	Very low	102 Å²	102	151.1 Å²	151.1	71%	0.713	77%	0.766	S	S	*	*	P	Polyproline II helix		-133.7	146.6	112.7	-64.9	0	0	0	0	110.2
422	F	27.7	Very low	30.1	Very low	173 Å²	173	148.9 Å²	148.9	76%	0.759	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-33.3	144.6	162.2	-72.9	-105.8	0	0	0	115.8
423	E	26.8	Very low	30.4	Very low	164 Å²	164	149.9 Å²	149.9	77%	0.766	77%	0.766	S	S	*	*	P	Polyproline II helix		-114.1	156.6	94.8	-106	153.8	171	0	0	112.3
424	T	27.8	Very low	31	Very low	121 Å²	121	147.1 Å²	147.1	74%	0.742	77%	0.766	S	S	*	*			trans	-80.1	133.9	176.8	46.9	0	0	0	0	115.7
425	H	27.6	Very low	31.5	Very low	169.5 Å²	169.5	147.7 Å²	147.7	79%	0.785	76%	0.76	S	S	*	*			trans	13	136.1	160.9	-69.2	-56.8	0	0	0	116.9
426	S	28.1	Very low	32.1	Very low	114.5 Å²	114.5	144.4 Å²	144.4	80%	0.801	75%	0.751	S	S	*	*			trans	145.8	154.6	144.7	-121.2	0	0	0	0	114.7
427	R	27.9	Very low	32.7	Very low	219.5 Å²	219.5	145 Å²	145	83%	0.828	75%	0.748	S	S	*	*				-147.5	151.7	-90.8	-96	173.5	172.9	177.7	-4.2	110.6
428	K	30.1	Very low	33.4	Very low	196.5 Å²	196.5	142.4 Å²	142.4	85%	0.854	74%	0.735	S	S	*	*			trans	121.4	146.1	153.7	-83.8	174.8	176.3	-171.6	0	111.2
429	S	30.9	Very low	33.9	Very low	92 Å²	92	142 Å²	142	64%	0.643	73%	0.731	S	S	*	*			cis	156.6	163	-7.3	58.9	0	0	0	0	107.9
430	M	34.6	Very low	34.2	Very low	162.5 Å²	162.5	141.8 Å²	141.8	80%	0.8	73%	0.734	S	S	*	*				164.4	172.2	93.9	-58.9	-174	99.6	0	0	114.2
431	D	34.2	Very low	34.4	Very low	141.5 Å²	141.5	137.9 Å²	137.9	76%	0.757	73%	0.729	S	S	*	*				-154.5	165.3	-80.8	-74.1	-47.8	0	0	0	109.4
432	G	37.6	Very low	34.6	Very low	58.5 Å²	58.5	138.8 Å²	138.8	60%	0.603	73%	0.73	S	S	*	*				131.4	-170.6	80.4	0	0	0	0	0	115.8
433	D	38.8	Very low	34.8	Very low	148.5 Å²	148.5	136.8 Å²	136.8	79%	0.794	73%	0.726	S	S	*	*				131	146.5	68.4	-63.2	-26.4	0	0	0	114.7
434	D	41.3	Very low	34.9	Very low	138.5 Å²	138.5	135.7 Å²	135.7	74%	0.741	72%	0.724	S	S	*	*				132.4	150.1	72.8	-89	-5.7	0	0	0	117.2
435	D	43.2	Very low	34.9	Very low	124.5 Å²	124.5	136.5 Å²	136.5	67%	0.666	72%	0.724	S	S	*	*				121.3	157.9	66.1	-111.6	2.8	0	0	0	118
436	N	43	Very low	34.9	Very low	115.5 Å²	115.5	136.4 Å²	136.4	62%	0.618	72%	0.724	S	S	*	*				126.2	139.2	-110.4	-81.1	-48.3	0	0	0	115.3
437	D	42.6	Very low	35	Very low	139.5 Å²	139.5	136.2 Å²	136.2	75%	0.746	72%	0.722	S	S	*	*				59.5	140.5	106.4	-67.9	-18.4	0	0	0	118.2
438	D	42.3	Very low	35.1	Very low	107 Å²	107	131.6 Å²	131.6	57%	0.572	72%	0.719	S	S	*	*			cis	-158.9	171.4	25.7	-147	-5.2	0	0	0	115
439	K	40.8	Very low	34.9	Very low	158 Å²	158	128.7 Å²	128.7	69%	0.687	72%	0.718	S	S	*	*			trans	10.7	149.5	153.2	-72	161.7	-161.9	76.3	0	120.4
440	T	36.2	Very low	34.9	Very low	120 Å²	120	129.6 Å²	129.6	74%	0.736	72%	0.724	S	S	*	*			cis	-167.2	-167.9	1.7	17.6	0	0	0	0	107.3
441	D	32.4	Very low	34.6	Very low	129.5 Å²	129.5	126.5 Å²	126.5	69%	0.693	72%	0.718	S	S	*	*			cis	-162.3	177.3	-25.7	-137.2	-19.1	0	0	0	105.8
442	V	32.1	Very low	34.2	Very low	120.5 Å²	120.5	123.7 Å²	123.7	73%	0.73	71%	0.709	S	S	*	*				85.4	134.4	105.9	-178.3	0	0	0	0	115.4
443	L	32	Very low	33.8	Very low	131.5 Å²	131.5	128.9 Å²	128.9	69%	0.688	72%	0.715	S	S	*	*				135.1	134.5	-108.6	-98	108.8	0	0	0	111.4
444	I	28.5	Very low	33.3	Very low	141 Å²	141	127.7 Å²	127.7	72%	0.723	71%	0.713	S	S	*	*				58.4	114	94.2	-63.8	169.5	0	0	0	114.4
445	D	28.5	Very low	32.6	Very low	138.5 Å²	138.5	129 Å²	129	74%	0.741	71%	0.712	S	S	*	*				141.1	164.7	72	-148.2	-0.9	0	0	0	119.9
446	Q	28.5	Very low	31.8	Very low	167 Å²	167	128.7 Å²	128.7	78%	0.78	71%	0.711	S	S	*	*			trans	159.8	141.2	175.4	-68.6	171	47.7	0	0	118.1
447	S	29.4	Very low	31	Very low	110 Å²	110	131.5 Å²	131.5	77%	0.769	72%	0.718	S	S	*	*			trans	133.5	147.8	155	69.6	0	0	0	0	114.5
448	T	30.2	Very low	30.3	Very low	123.5 Å²	123.5	132.3 Å²	132.3	76%	0.758	72%	0.721	S	S	*	*			cis	-156.2	135.4	-17.8	11.9	0	0	0	0	110.8
449	T	26.3	Very low	29.6	Very low	135 Å²	135	131.4 Å²	131.4	83%	0.828	72%	0.723	S	S	*	*			trans	-24.4	125.6	159.8	55.5	0	0	0	0	117.4
450	S	29.9	Very low	29.1	Very low	110.5 Å²	110.5	132.5 Å²	132.5	77%	0.773	73%	0.728	S	S	*	*			trans	139.4	154.7	155	95.2	0	0	0	0	112.1
451	S	29.5	Very low	28.8	Very low	97.5 Å²	97.5	134.3 Å²	134.3	68%	0.682	73%	0.733	S	S	*	*			cis	-170.8	168.6	-3.7	-140.1	0	0	0	0	107.9
452	C	25.3	Very low	28.7	Very low	84 Å²	84	136.8 Å²	136.8	57%	0.568	74%	0.74	S	S	*	*				126.3	151.2	-108.7	-86.7	0	0	0	0	112.3
453	K	28.7	Very low	28.6	Very low	167 Å²	167	136.6 Å²	136.6	73%	0.726	74%	0.74	S	S	*	*				137.4	148.1	60.9	-83.7	155.7	-168.5	147.4	0	109
454	V	28.5	Very low	28.5	Very low	123 Å²	123	139.4 Å²	139.4	75%	0.745	75%	0.746	S	S	*	*				-46.7	110.7	57.2	178.1	0	0	0	0	110.8
455	F	26.1	Very low	28.7	Very low	165 Å²	165	140.3 Å²	140.3	72%	0.724	75%	0.751	S	S	*	*				122.6	119.1	101.7	-103.5	-68.1	0	0	0	116.5
456	N	26.4	Very low	28.7	Very low	119 Å²	119	142.8 Å²	142.8	64%	0.636	76%	0.755	S	S	*	*			trans	50	133.5	141.1	-67.4	-23.6	0	0	0	120.4
457	K	27.4	Very low	28.7	Very low	175.5 Å²	175.5	143.5 Å²	143.5	76%	0.763	76%	0.756	S	S	*	*				-165.7	150.6	58.7	-117.9	164.4	-170.9	160.5	0	113.6
458	L	27.7	Very low	28.7	Very low	154.5 Å²	154.5	149 Å²	149	81%	0.809	76%	0.761	S	S	*	*			trans	71.1	128.7	149.6	-72.9	159.4	0	0	0	119
459	S	28.1	Very low	28.7	Very low	88.5 Å²	88.5	151.6 Å²	151.6	62%	0.619	76%	0.762	S	S	*	*				-103.5	144.2	70.5	117.3	0	0	0	0	114
460	K	29.6	Very low	28.8	Very low	181 Å²	181	154.2 Å²	154.2	79%	0.787	76%	0.762	S	S	*	*			trans	65.9	126.5	146.6	-59.4	174.2	178.9	176.4	0	118.7
461	N	29.3	Very low	28.8	Very low	158 Å²	158	159.2 Å²	159.2	85%	0.845	76%	0.764	S	S	*	*			trans	141.9	88	148.8	-77.5	-19.3	0	0	0	114.8
462	E	30.7	Very low	28.7	Very low	181.5 Å²	181.5	160.5 Å²	160.5	85%	0.848	77%	0.768	S	S	*	*				-113.5	148.4	82.9	-108.2	-172.5	130.2	0	0	112.2
463	T	29.5	Very low	28.9	Very low	117 Å²	117	164.4 Å²	164.4	72%	0.718	78%	0.782	S	S	*	*			trans	-155.2	154.2	167.3	36.7	0	0	0	0	112.6
464	K	31.1	Very low	28.8	Very low	189.5 Å²	189.5	161.9 Å²	161.9	82%	0.824	79%	0.786	S	S	*	*			trans	79.4	143.6	-169.9	-45.5	146	-167.9	164.4	0	110.7
465	I	32.2	Very low	28.7	Very low	161.5 Å²	161.5	160.8 Å²	160.8	83%	0.828	78%	0.783	S	S	*	*			cis	-130.6	120.9	21	-62.5	162.2	0	0	0	109.5
466	K	28.2	Very low	28.9	Very low	190 Å²	190	164.1 Å²	164.1	83%	0.826	79%	0.791	S	S	*	*				159.9	95.7	112	-96.7	-173.3	178.1	176.3	0	114
467	K	29.6	Very low	29	Very low	183 Å²	183	163.4 Å²	163.4	80%	0.796	80%	0.795	S	S	*	*			trans	120.3	125.6	148	-87.6	175.2	179.5	-175.9	0	115.9
468	Y	29.3	Very low	29.1	Very low	224 Å²	224	160.7 Å²	160.7	88%	0.878	79%	0.794	S	S	*	*			trans	163.5	106.9	152.8	-75.8	-76.2	0	0	0	111.7
469	F	29.9	Very low	29.1	Very low	179.5 Å²	179.5	161.2 Å²	161.2	79%	0.787	79%	0.792	S	S	*	*				-166.2	127.9	58.2	-138	-108.6	0	0	0	109.5	R471	F469-R471 HydrophobicContact CE1-CG 4.2Å
470	K	27.9	Very low	29.2	Very low	189.5 Å²	189.5	163.9 Å²	163.9	82%	0.824	80%	0.799	S	S	*	*			trans	-147.9	100.7	172.4	-174.7	172	-178.3	170.5	0	111
471	R	28.9	Very low	29	Very low	215 Å²	215	163.9 Å²	163.9	81%	0.811	80%	0.8	S	S	*	*			trans	-157.4	97.5	170.2	-107.7	-177.7	-179.2	157.9	1.4	111.4	F469	F469-R471 HydrophobicContact CE1-CG 4.2Å
472	T	27.7	Very low	28.9	Very low	123.5 Å²	123.5	161.2 Å²	161.2	76%	0.758	79%	0.789	S	S	*	*				127	147.4	113.7	38.9	0	0	0	0	110.3
473	L	29.1	Very low	28.7	Very low	167.5 Å²	167.5	163.4 Å²	163.4	88%	0.877	79%	0.789	S	S	*	*				144.8	125.9	100	-62.4	137.1	0	0	0	111.5
474	S	26.7	Very low	28.6	Very low	114 Å²	114	162.2 Å²	162.2	80%	0.797	79%	0.785	S	S	*	*				157.9	135.3	87.5	-165.1	0	0	0	0	112.1
475	S	27.7	Very low	28.5	Very low	99 Å²	99	162.9 Å²	162.9	69%	0.692	79%	0.789	S	S	*	*			trans	163.6	166.1	165.6	71.5	0	0	0	0	115.8
476	R	29.1	Very low	28.4	Very low	235 Å²	235	159.2 Å²	159.2	89%	0.887	78%	0.782	S	S	*	*			trans	71.2	140.6	-178.1	-57.2	178.6	174.4	-165.9	-5.1	114.1
477	S	30.1	Very low	28.6	Very low	104.5 Å²	104.5	158.5 Å²	158.5	73%	0.731	78%	0.779	S	S	*	*			cis	159.5	164.4	19.5	71	0	0	0	0	113.4
478	T	28.2	Very low	28.9	Very low	118 Å²	118	156.9 Å²	156.9	72%	0.724	77%	0.774	S	S	*	*			trans	152.4	159.6	174.1	43.4	0	0	0	0	113.2
479	E	27.5	Very low	28.9	Very low	166.5 Å²	166.5	152.5 Å²	152.5	78%	0.778	77%	0.766	S	S	*	*				145.1	158.2	78.2	-85.6	-178	174	0	0	115.9
480	N	30.4	Very low	28.9	Very low	144.5 Å²	144.5	152.6 Å²	152.6	77%	0.773	77%	0.766	S	S	*	*			trans	-11.6	132.1	157.8	-66.5	-44.9	0	0	0	114.7
481	F	25.6	Very low	29.1	Very low	181.5 Å²	181.5	149.3 Å²	149.3	80%	0.796	76%	0.762	S	S	*	*				-167	145.8	-124.8	-139	-126	0	0	0	109.7
482	V	27.8	Very low	29.3	Very low	100.5 Å²	100.5	144.2 Å²	144.2	61%	0.609	76%	0.759	S	S	*	*				18	120.6	112.5	174.5	0	0	0	0	115.4
483	R	26.8	Very low	29.7	Very low	227.5 Å²	227.5	143.9 Å²	143.9	86%	0.858	76%	0.76	S	S	*	*				-179.5	121.6	114.2	-128.8	167.4	-178.9	175.4	-0.1	114.3
484	S	27.6	Very low	29.6	Very low	91.5 Å²	91.5	144.5 Å²	144.5	64%	0.64	76%	0.763	S	S	*	*				60.7	123.3	102.3	9.4	0	0	0	0	121
485	K	29.2	Very low	29.8	Very low	205.5 Å²	205.5	142.2 Å²	142.2	89%	0.893	76%	0.757	S	S	*	*			trans	152.3	133.6	137.8	-76.3	179.1	179.2	179.1	0	111.9
486	A	30.3	Very low	29.8	Very low	83 Å²	83	145.7 Å²	145.7	69%	0.686	76%	0.763	S	S	*	*			cis	135.1	154.2	37.4	0	0	0	0	0	110.8
487	K	32.4	Very low	29.7	Very low	176 Å²	176	140.4 Å²	140.4	77%	0.765	75%	0.751	S	S	*	*				137.3	146.1	90.9	-86.8	173.5	178.3	-179.1	0	111.9
488	Q	34.9	Very low	29.8	Very low	148.5 Å²	148.5	143.7 Å²	143.7	69%	0.694	75%	0.752	S	S	*	*				133.2	157.6	67.1	-91.1	163.9	-23.9	0	0	114.6
489	N	29.2	Very low	29.6	Very low	131 Å²	131	142.9 Å²	142.9	70%	0.701	75%	0.751	S	S	*	*				103.8	145.3	55.2	-79.2	-5.6	0	0	0	114.1
490	K	30.8	Very low	29.7	Very low	182.5 Å²	182.5	142.2 Å²	142.2	79%	0.793	75%	0.752	S	S	*	*				124.3	157.6	98.8	-107.3	-178.8	179.3	-174.1	0	115.5
491	T	31.8	Very low	29.5	Very low	119.5 Å²	119.5	143.4 Å²	143.4	73%	0.733	75%	0.752	S	S	*	*				133.3	137.6	65.3	25.4	0	0	0	0	118
492	S	32.2	Very low	29.6	Very low	108 Å²	108	138.6 Å²	138.6	76%	0.755	75%	0.746	S	S	*	*			trans	-15.4	163.5	155.6	53.2	0	0	0	0	117.7
493	P	35.8	Very low	29.5	Very low	118.5 Å²	118.5	140 Å²	140	77%	0.769	76%	0.755	S	S	*	*			trans	-129.7	172.2	141.7	26.9	-7.3	0	0	0	114.3
494	L	27.7	Very low	29.6	Very low	179.5 Å²	179.5	134.9 Å²	134.9	94%	0.94	75%	0.754	S	S	*	*				141.7	145.7	87.3	-150.4	77.5	0	0	0	113.4
495	G	30.3	Very low	29.7	Very low	66.5 Å²	66.5	134.4 Å²	134.4	69%	0.686	76%	0.763	S	S	*	*			trans	106.6	111.8	156.4	0	0	0	0	0	117.6
496	E	28.1	Very low	29.6	Very low	172.5 Å²	172.5	127.9 Å²	127.9	81%	0.806	76%	0.755	S	S	*	*				112.1	140.4	61.3	-94.2	-159.8	134.3	0	0	118
497	L	27.6	Very low	29.5	Very low	122.5 Å²	122.5	130.7 Å²	130.7	64%	0.641	76%	0.764	S	S	*	*			trans	68.2	142.7	138.5	-66	171	0	0	0	121.9
498	K	30.8	Very low	29.2	Very low	174.5 Å²	174.5	127.5 Å²	127.5	76%	0.759	76%	0.763	S	S	*	*				147.5	125.5	77.1	-79.6	139	-175.6	171.9	0	113.9
499	S	26	Very low	28.9	Very low	100 Å²	100	127 Å²	127	70%	0.699	77%	0.771	S	S	*	*				27	131.6	100	-164	0	0	0	0	115.3
500	I	28.4	Very low	28.8	Very low	153.5 Å²	153.5	124.1 Å²	124.1	79%	0.787	77%	0.772	S	S	*	*				-162.9	152	91.4	-90.6	163.9	0	0	0	112.3
501	H	26.8	Very low	28.7	Very low	168 Å²	168	122.2 Å²	122.2	78%	0.778	77%	0.77	S	S	*	*			trans	-23.2	130	170	-75.4	-105.7	0	0	0	120.3
502	A	26.6	Very low	28.5	Very low	82 Å²	82	124.6 Å²	124.6	68%	0.678	77%	0.77	S	S	*	*				87.6	170.7	104.8	0	0	0	0	0	118.7
503	T	26.8	Very low	28.4	Very low	129.5 Å²	129.5	126.5 Å²	126.5	79%	0.794	77%	0.772	S	S	*	*				152.4	146.8	89	21.3	0	0	0	0	115.5
504	S	28.8	Very low	28.1	Very low	120.5 Å²	120.5	129.8 Å²	129.8	84%	0.843	77%	0.769	S	S	*	*			trans	20.3	149	172.3	64.6	0	0	0	0	119.8
505	G	28.2	Very low	28.4	Very low	80 Å²	80	127.5 Å²	127.5	83%	0.825	75%	0.754	S	S	*	*				125.8	146.4	70.9	0	0	0	0	0	113.5
506	G	28.8	Very low	28.4	Very low	70.5 Å²	70.5	128.6 Å²	128.6	73%	0.727	75%	0.747	S	S	*	*				124.4	125.5	81.3	0	0	0	0	0	114.3
507	T	26.7	Very low	28.4	Very low	141.5 Å²	141.5	127 Å²	127	87%	0.868	74%	0.743	S	S	*	*			trans	9.9	150.8	167.5	45.5	0	0	0	0	116.6
508	S	27.9	Very low	28.5	Very low	107.5 Å²	107.5	131.7 Å²	131.7	75%	0.752	75%	0.753	S	S	*	*				-172.2	163.2	50.7	45	0	0	0	0	112.8
509	T	27.9	Very low	28.5	Very low	139 Å²	139	130 Å²	130	85%	0.853	76%	0.756	S	S	*	*			trans	-28.2	138.1	172.8	49	0	0	0	0	118.5
510	G	27	Very low	28.8	Very low	70.5 Å²	70.5	129.5 Å²	129.5	73%	0.727	76%	0.758	S	S	*	*			trans	134.1	156.3	148.2	0	0	0	0	0	115.8
511	L	28.9	Very low	28.7	Very low	141.5 Å²	141.5	127.2 Å²	127.2	74%	0.741	76%	0.756	S	S	*	*			cis	179.6	136.7	-32.4	-99.6	-172.7	0	0	0	108.2
512	F	26.9	Very low	28.9	Very low	171.5 Å²	171.5	126.2 Å²	126.2	75%	0.752	75%	0.751	S	S	*	*			trans	53	149	161.4	-64.9	-61.8	0	0	0	119.6
513	N	31.1	Very low	29.2	Very low	146.5 Å²	146.5	129.6 Å²	129.6	78%	0.783	75%	0.751	S	S	*	*			cis	-145.4	164.2	48.1	-97.4	-35	0	0	0	110.5
514	R	29.5	Very low	29.5	Very low	187.5 Å²	187.5	130.2 Å²	130.2	71%	0.708	75%	0.748	S	S	*	*				147.1	157.8	121.8	-169.3	-178.3	139.9	154.9	5.7	111.9	T516	R514-T516 PolarHBondContact NE-OG1 3.05Å
515	E	32.5	Very low	29.5	Very low	133 Å²	133	130.6 Å²	130.6	62%	0.621	74%	0.741	S	S	*	*			trans	132.7	122.2	149.9	-106.2	43.2	-99.6	0	0	110.6
516	T	30.2	Very low	29.7	Very low	89 Å²	89	133.6 Å²	133.6	55%	0.546	73%	0.734	S	S	.	*			cis	80.7	129.8	46.6	34.3	0	0	0	0	113.2	R514	R514-T516 PolarHBondContact NE-OG1 3.05Å
517	L	29.5	Very low	29.9	Very low	139.5 Å²	139.5	135.7 Å²	135.7	73%	0.73	73%	0.728	S	S	*	*				127	128.7	98.9	-65.4	166.3	0	0	0	117.7
518	R	28.6	Very low	30.2	Very low	220.5 Å²	220.5	135.7 Å²	135.7	83%	0.832	72%	0.718	S	S	*	*				105.9	130.3	117.4	-72.2	165.7	-178	155.7	-1	117
519	V	30.5	Very low	30.5	Very low	139 Å²	139	135.6 Å²	135.6	84%	0.842	71%	0.713	S	S	*	*				105.5	143	98.6	170	0	0	0	0	114.2
520	A	32.2	Very low	30.8	Very low	88 Å²	88	136.2 Å²	136.2	73%	0.727	70%	0.704	S	S	*	*				133.4	-165.8	-110.5	0	0	0	0	0	114.3
521	S	27.8	Very low	31	Very low	106 Å²	106	141.9 Å²	141.9	74%	0.741	70%	0.703	S	S	*	*				-141.6	175	-94.8	-75.1	0	0	0	0	110.4
522	E	31.1	Very low	31.2	Very low	146.5 Å²	146.5	144.8 Å²	144.8	69%	0.685	70%	0.704	S	S	*	*				133.9	153.8	103.8	-56.7	-150.7	139	0	0	115.7
523	K	31.9	Very low	31.4	Very low	155 Å²	155	144.5 Å²	144.5	67%	0.674	71%	0.705	S	S	*	*				128.5	170.7	57.1	-91.4	172.7	-162.3	152.7	0	114.4
524	L	33.1	Very low	31.6	Very low	141 Å²	141	143.9 Å²	143.9	74%	0.738	71%	0.706	S	S	*	*				140.4	133	89.3	-85.3	164.1	0	0	0	111.5
525	N	29.4	Very low	31.6	Very low	129.5 Å²	129.5	140.4 Å²	140.4	69%	0.693	71%	0.711	S	S	*	*				45.4	145.9	110	-74.6	19.8	0	0	0	116.5
526	E	31.7	Very low	31.6	Very low	142 Å²	142	137.5 Å²	137.5	66%	0.664	72%	0.717	S	S	*	*			cis	-161.4	170.1	14	-130.1	176	122.3	0	0	112.9
527	N	33.9	Very low	31.7	Very low	114.5 Å²	114.5	144.9 Å²	144.9	61%	0.612	74%	0.735	S	S	*	*			trans	62.7	143.1	147.9	-68	-32	0	0	0	121
528	Q	32.8	Very low	31.6	Very low	142 Å²	142	142.5 Å²	142.5	66%	0.664	73%	0.729	S	S	*	*			cis	-165.6	165.6	-16.4	-127.9	-172.7	73.1	0	0	110.3
529	V	34	Very low	31.8	Very low	106 Å²	106	139 Å²	139	64%	0.642	73%	0.727	S	S	*	*			trans	67.5	103.7	142.6	-176.5	0	0	0	0	118.4
530	K	33.6	Very low	31.7	Very low	150.5 Å²	150.5	140.2 Å²	140.2	65%	0.654	72%	0.723	S	S	*	*				123.9	135.7	91.2	-104.1	156.5	-148.4	154.6	0	116.2
531	R	32.2	Very low	31.7	Very low	191.5 Å²	191.5	143.5 Å²	143.5	72%	0.723	73%	0.728	S	S	*	*				122.5	150.8	76.3	-91.2	173.2	-173.8	171	-0.2	116.1
532	R	32.6	Very low	31.6	Very low	201.5 Å²	201.5	142.4 Å²	142.4	76%	0.76	72%	0.721	S	S	*	*				144.3	143.5	80.1	-92.1	160.9	176.4	177	-3	114.7
533	H	32	Very low	31.5	Very low	166 Å²	166	143 Å²	143	77%	0.769	73%	0.728	S	S	*	*			cis	122.4	158	37.7	-97.2	-50.6	0	0	0	114.7
534	V	34	Very low	31.3	Very low	133 Å²	133	140.4 Å²	140.4	81%	0.806	73%	0.73	S	S	*	*				150	153.3	94.4	-168.6	0	0	0	0	115.2
535	S	29.7	Very low	31	Very low	114.5 Å²	114.5	139.4 Å²	139.4	80%	0.801	73%	0.733	S	S	*	*			trans	-156	149.6	-132.1	56.8	0	0	0	0	113.3
536	G	33	Very low	31	Very low	72.5 Å²	72.5	142.4 Å²	142.4	75%	0.747	74%	0.74	S	S	*	*			trans	137.7	143.9	165.9	0	0	0	0	0	112.7
537	R	31.4	Very low	30.8	Very low	244 Å²	244	143.4 Å²	143.4	92%	0.921	75%	0.747	S	S	*	*			cis	136.9	154.7	31.6	-116.1	-177.3	171.6	-173.5	-3.3	112.2
538	S	28.7	Very low	30.5	Very low	88 Å²	88	144.7 Å²	144.7	62%	0.615	75%	0.754	S	S	*	*				-111.2	163.1	-101.2	-67.1	0	0	0	0	112.1
539	D	31.8	Very low	30.3	Very low	147 Å²	147	142.7 Å²	142.7	79%	0.786	76%	0.756	S	S	*	*				129.7	167.3	121.6	-79.1	-41.6	0	0	0	116.1
540	Q	28.7	Very low	30.2	Very low	164.5 Å²	164.5	143.8 Å²	143.8	77%	0.769	76%	0.763	S	S	*	*				-129	171.8	-110.5	-82.5	-179.1	56.1	0	0	109.5
541	L	31.4	Very low	30	Very low	157 Å²	157	141.7 Å²	141.7	82%	0.822	77%	0.767	S	S	*	*			trans	124.3	138.9	145.3	-70.5	170.2	0	0	0	115
542	S	26.4	Very low	30.1	Very low	84 Å²	84	141.5 Å²	141.5	59%	0.587	77%	0.771	S	S	*	*				37.7	142.8	100.5	62.4	0	0	0	0	119
543	N	28.7	Very low	30.1	Very low	158.5 Å²	158.5	138 Å²	138	85%	0.848	77%	0.772	S	S	*	*			trans	67.3	130	153.6	-55.2	-21.8	0	0	0	118.7
544	S	29	Very low	30.1	Very low	101 Å²	101	135.8 Å²	135.8	71%	0.706	77%	0.771	S	S	*	*				-158.2	128.4	61.4	-160.1	0	0	0	0	112.7
545	C	25.9	Very low	30	Very low	120 Å²	120	140 Å²	140	81%	0.811	77%	0.772	S	S	*	*			trans	-32.9	139.8	159.5	-61	0	0	0	0	117.3
546	K	30	Very low	30.2	Very low	192.5 Å²	192.5	141.6 Å²	141.6	84%	0.837	77%	0.767	S	S	*	*			trans	150.9	134.2	164.5	-85.6	166.3	-179.2	174.3	0	115.5
547	M	27.2	Very low	30.4	Very low	163 Å²	163	143.3 Å²	143.3	80%	0.803	77%	0.765	S	S	*	*				-123.6	169.8	-109.7	-95.8	-67.3	-173.1	0	0	110.6
548	N	27.9	Very low	30.4	Very low	141.5 Å²	141.5	138.9 Å²	138.9	76%	0.757	76%	0.758	S	S	*	*			trans	75	132.8	161.3	-61.3	-17.5	0	0	0	119.1
549	S	28.6	Very low	30.5	Very low	101 Å²	101	143.4 Å²	143.4	71%	0.706	77%	0.767	S	S	*	*				92.6	118.7	86	78	0	0	0	0	117.5
550	T	30.6	Very low	30.6	Very low	129 Å²	129	143.9 Å²	143.9	79%	0.791	76%	0.764	S	S	*	*				130.2	151	68.4	56.2	0	0	0	0	116.4
551	S	31.3	Very low	30.6	Very low	105.5 Å²	105.5	146.3 Å²	146.3	74%	0.738	77%	0.766	S	S	*	*			cis	-179.7	172.6	48.6	-20.9	0	0	0	0	109.5
552	K	33.3	Very low	30.5	Very low	187 Å²	187	145.4 Å²	145.4	81%	0.813	76%	0.762	S	S	*	*				143.4	142.8	81.4	-90.4	173.4	-176	175.5	0	113.8
553	T	32.5	Very low	30.5	Very low	128 Å²	128	145.9 Å²	145.9	79%	0.785	77%	0.765	S	S	*	*				75.3	149.3	118.8	70	0	0	0	0	113.8
554	T	31.5	Very low	30.5	Very low	119.5 Å²	119.5	147 Å²	147	73%	0.733	76%	0.762	S	S	*	*			cis	-137.8	173.6	-5.4	33	0	0	0	0	107.9
555	R	32.5	Very low	30.3	Very low	221 Å²	221	148.4 Å²	148.4	83%	0.834	76%	0.761	S	S	*	*			cis	138.8	162.7	22.8	-106.9	-178.3	177.4	-171.1	4.3	112.7
556	H	34.7	Very low	30.4	Very low	148.5 Å²	148.5	148.3 Å²	148.3	69%	0.688	76%	0.757	S	S	*	*				-140.4	162.7	95.4	-119.5	-65.4	0	0	0	110.7
557	P	36.4	Very low	30.3	Very low	109.5 Å²	109.5	145.2 Å²	145.2	71%	0.711	75%	0.749	S	S	*	*				-126	176.6	122.8	39.7	-25.8	0	0	0	113.5
558	L	31.4	Very low	30.4	Very low	150 Å²	150	143.2 Å²	143.2	79%	0.785	74%	0.742	S	S	*	*				142.4	146.2	80.7	-94.3	171.1	0	0	0	116.2
559	K	30.7	Very low	30.6	Very low	183 Å²	183	143.2 Å²	143.2	80%	0.796	74%	0.742	S	S	*	*			trans	162.8	156.2	171.2	-82.8	-176.4	173.3	-173.7	0	111.4
560	H	33.2	Very low	30.5	Very low	157.5 Å²	157.5	145.5 Å²	145.5	73%	0.729	75%	0.746	S	S	*	*				147.1	131.4	-94.9	-88.4	-85.4	0	0	0	112.2
561	R	28.7	Very low	30.5	Very low	214.5 Å²	214.5	144.3 Å²	144.3	81%	0.809	74%	0.744	S	S	*	*				125.2	124.3	89.5	-114.5	-169.1	177.6	-173.9	1	109.8
562	L	30.7	Very low	30.3	Very low	139.5 Å²	139.5	146.1 Å²	146.1	73%	0.73	75%	0.745	S	S	*	*				141.8	131.6	66.3	-75.6	167.2	0	0	0	111.1
563	S	26.1	Very low	29.9	Very low	93 Å²	93	142.7 Å²	142.7	65%	0.65	74%	0.743	S	S	*	*				-3	145.2	118.9	68.3	0	0	0	0	114.4
564	K	27.4	Very low	29.6	Very low	183.5 Å²	183.5	143 Å²	143	80%	0.798	74%	0.739	S	S	*	*			trans	125.1	147.3	143.2	-79.4	-175	172.7	-169	0	114.4
565	L	26.1	Very low	29.3	Very low	130 Å²	130	142.8 Å²	142.8	68%	0.681	74%	0.738	S	S	*	*				125.3	126.2	68.2	-87.8	170.5	0	0	0	114.7
566	T	28	Very low	29	Very low	118 Å²	118	140 Å²	140	72%	0.724	74%	0.739	S	S	*	*				111	135.7	126	32	0	0	0	0	114.6
567	N	27.3	Very low	28.6	Very low	126.5 Å²	126.5	137.4 Å²	137.4	68%	0.676	74%	0.737	S	S	*	*				71	145.6	98.1	-96	56.6	0	0	0	114.2
568	D	28.9	Very low	28.1	Very low	122 Å²	122	138.9 Å²	138.9	65%	0.652	74%	0.739	S	S	*	*				142.6	167.9	-107.9	-71.5	-36.9	0	0	0	112.4
569	D	32.8	Very low	28	Very low	141.5 Å²	141.5	137 Å²	137	76%	0.757	74%	0.739	S	S	*	*			trans	56.8	107.3	163.5	-56.5	-32.6	0	0	0	118.5
570	N	26.4	Very low	27.7	Very low	148 Å²	148	137.7 Å²	137.7	79%	0.791	74%	0.738	S	S	*	*			cis	77.6	111.4	42.4	-116.1	-10.2	0	0	0	113.1
571	S	30.4	Very low	27.4	Very low	105 Å²	105	136.1 Å²	136.1	73%	0.734	73%	0.734	S	S	*	*			trans	147.5	117.8	165	62.3	0	0	0	0	115.5
572	N	27.1	Very low	27.4	Very low	142 Å²	142	133.6 Å²	133.6	76%	0.759	73%	0.732	S	S	*	*			trans	-7.5	127.1	157.4	-64	-31.3	0	0	0	114.2
573	C	25.6	Very low	27.2	Very low	116 Å²	116	133.8 Å²	133.8	78%	0.784	73%	0.732	S	S	*	*				131.2	129.4	96.7	-146.6	0	0	0	0	110.2
574	L	25.3	Very low	27.3	Very low	134.5 Å²	134.5	133.7 Å²	133.7	70%	0.704	73%	0.731	S	S	*	*				68.5	105.6	106.9	-76.6	-177.8	0	0	0	114
575	T	25.2	Very low	27.4	Very low	116 Å²	116	133 Å²	133	71%	0.712	73%	0.731	S	S	*	*				69.5	143.4	122.5	70.5	0	0	0	0	117.1
576	L	26.9	Very low	27.6	Very low	162.5 Å²	162.5	130.9 Å²	130.9	85%	0.851	73%	0.727	S	S	*	*			trans	121.2	138.3	154.6	-73.3	162.2	0	0	0	111.4
577	S	25.8	Very low	28	Very low	92 Å²	92	132.9 Å²	132.9	64%	0.643	73%	0.728	S	S	*	*			cis	-167.3	162.4	-17.3	54.4	0	0	0	0	110.5
578	N	26.2	Very low	28.3	Very low	141 Å²	141	133.1 Å²	133.1	75%	0.754	72%	0.724	S	S	*	*			trans	-3.7	126.3	149.7	-47.4	-26.2	0	0	0	116.3
579	S	28.5	Very low	28.4	Very low	111 Å²	111	136.5 Å²	136.5	78%	0.776	73%	0.728	S	S	*	*				-157.6	131.3	93	-72.7	0	0	0	0	113.6
580	Y	25.5	Very low	28.4	Very low	198.5 Å²	198.5	136.6 Å²	136.6	78%	0.778	73%	0.728	S	S	*	*				44.7	131.3	102.7	-92.3	-72.7	0	0	0	119.1
581	N	26.4	Very low	28.6	Very low	123 Å²	123	139.1 Å²	139.1	66%	0.658	73%	0.726	S	S	*	*			trans	79.6	119.3	141.6	-76.5	-20.2	0	0	0	122.1
582	H	27.7	Very low	28.6	Very low	162 Å²	162	143.2 Å²	143.2	75%	0.75	73%	0.725	S	S	*	*				66.8	127.3	117.5	-97.7	-57.9	0	0	0	120.4
583	I	27.9	Very low	28.9	Very low	144.5 Å²	144.5	143.3 Å²	143.3	74%	0.741	72%	0.721	S	S	*	*			trans	115.7	99.3	140.5	-77	161.9	0	0	0	110
584	S	26.8	Very low	29.2	Very low	90 Å²	90	143.6 Å²	143.6	63%	0.629	72%	0.72	S	S	*	*				78.8	156.8	81.9	-117	0	0	0	0	112.6
585	Q	30.8	Very low	29.4	Very low	169 Å²	169	145.2 Å²	145.2	79%	0.79	73%	0.726	S	S	*	*				125.6	128.1	-109.9	-86.1	179	95.1	0	0	111.5
586	S	29.9	Very low	30.1	Very low	85.5 Å²	85.5	145 Å²	145	60%	0.598	73%	0.726	S	S	*	*			cis	160.4	-172.9	41.9	69.8	0	0	0	0	113.3
587	H	36.1	Very low	30.4	Very low	161 Å²	161	143 Å²	143	75%	0.745	72%	0.721	S	S	*	*			trans	73.8	116.7	155.3	-66.2	-116.9	0	0	0	118.3
588	H	33.6	Very low	30.6	Very low	129.5 Å²	129.5	143.7 Å²	143.7	60%	0.6	73%	0.726	S	S	*	*			cis	143.2	140.6	24.8	-155.3	134.1	0	0	0	111.9
589	R	31.1	Very low	31	Very low	195 Å²	195	144.8 Å²	144.8	74%	0.736	73%	0.73	S	S	*	*			trans	48.7	139.9	149.9	-68.4	177.5	-166.9	-162.5	3.6	119.6
590	L	33.4	Very low	31	Very low	142.5 Å²	142.5	146.4 Å²	146.4	75%	0.746	73%	0.73	S	S	*	*				137.7	157.2	92.6	-79.9	134.9	0	0	0	113.5
591	R	29.9	Very low	31.2	Very low	200 Å²	200	141.6 Å²	141.6	76%	0.755	73%	0.725	S	S	*	*			cis	-155.5	-162.1	-14.4	-152.2	-176	-162.9	170.9	2.5	111.7
592	R	30.5	Very low	31.4	Very low	191 Å²	191	144.8 Å²	144.8	72%	0.721	73%	0.733	S	S	*	*			trans	128.1	164.7	176.2	-78.1	-176.9	-178.8	-167.9	-3.6	115.1
593	Q	33.2	Very low	31.4	Very low	144.5 Å²	144.5	146.1 Å²	146.1	68%	0.675	74%	0.737	S	S	*	*				131.5	133.7	87.3	-106.4	150.7	-35.3	0	0	115.6
594	T	32.4	Very low	31.4	Very low	122 Å²	122	145.7 Å²	145.7	75%	0.748	74%	0.737	S	S	*	*				127.8	142.6	68.8	26.7	0	0	0	0	118.6
595	M	29.5	Very low	31.5	Very low	168.5 Å²	168.5	148.1 Å²	148.1	83%	0.83	74%	0.742	S	S	*	*			trans	15.1	161.6	132.1	-69	-77.6	-170.5	0	0	113.7
596	P	39.9	Very low	31.3	Very low	112.5 Å²	112.5	146.7 Å²	146.7	73%	0.731	74%	0.74	S	S	*	*			trans	-121.5	145.9	-138.6	38.2	-25.5	0	0	0	114.8
597	T	32.7	Very low	31.4	Very low	121 Å²	121	151.2 Å²	151.2	74%	0.742	75%	0.751	S	S	*	*			trans	-19.4	134.3	160.8	47.1	0	0	0	0	119.3
598	S	31	Very low	31.2	Very low	105.5 Å²	105.5	147.9 Å²	147.9	74%	0.738	75%	0.746	S	S	*	*			trans	80.3	138	138.7	69.9	0	0	0	0	122.1
599	I	34.8	Very low	30.9	Very low	163.5 Å²	163.5	148.2 Å²	148.2	84%	0.838	75%	0.752	S	S	*	*			trans	164.6	119.6	147.5	-60.1	-179	0	0	0	114
600	N	28.4	Very low	30.9	Very low	145 Å²	145	150.1 Å²	150.1	78%	0.775	76%	0.759	S	S	*	*			trans	131.3	113.7	159.5	-135.8	-9.8	0	0	0	118.1
601	S	28.7	Very low	30.8	Very low	98 Å²	98	152.9 Å²	152.9	69%	0.685	76%	0.76	S	S	*	*			trans	127.6	113.4	150.2	71.8	0	0	0	0	118.7
602	K	30.2	Very low	30.7	Very low	190.333 Å²	190.333	152.9 Å²	152.9	83%	0.828	76%	0.76	S	S	*	*				38.7	142.5	123.2	-78.6	175.4	-179.3	175.4	0	116.7
603	F	28	Very low	30.6	Very low	188.333 Å²	188.333	154.5 Å²	154.5	83%	0.826	77%	0.766	S	S	*	*			trans	-90.4	139	157.7	-86.3	-94.2	0	0	0	112.6	L605	F603-L605 HydrophobicContact CD1-CD1 4.4Å
604	N	27.6	Very low	30.4	Very low	136.667 Å²	136.667	154.6 Å²	154.6	73%	0.731	77%	0.77	S	S	*	*			trans	-148	119.8	-176.9	-141.4	-10.1	0	0	0	110.7	N606	N604-N606 PolarHBondContact OD1-ND2 3.28Å
605	L	29.9	Very low	30.3	Very low	141.333 Å²	141.333	155.6 Å²	155.6	74%	0.74	77%	0.771	S	S	*	*			trans	-80.8	102.7	159.4	-93.9	139.7	0	0	0	113.3	F603 H607	F603-L605 HydrophobicContact CD1-CD1 4.4Å; L605-H607 PolarHBondContact O-N 3.23Å
606	N	27	Very low	30.4	Very low	139.667 Å²	139.667	155.9 Å²	155.9	75%	0.747	77%	0.768	S	S	*	*			trans	-71.7	134	140.6	-84	-36.1	0	0	0	114.6	N604	N604-N606 PolarHBondContact OD1-ND2 3.28Å
607	H	31.9	Very low	29.9	Very low	179 Å²	179	161.4 Å²	161.4	83%	0.829	78%	0.775	S	S	*	*			trans	-126.8	143.6	143.8	-110.3	-81.4	0	0	0	114.1	L605	L605-H607 PolarHBondContact O-N 3.23Å
608	S	31	Very low	29.8	Very low	91.3333 Å²	91.3333	165 Å²	165	64%	0.639	78%	0.781	S	S	*	*			trans	-109.5	123.3	166.7	62.7	0	0	0	0	115.7
609	N	28.5	Very low	29.6	Very low	136.667 Å²	136.667	170.8 Å²	170.8	73%	0.731	79%	0.786	S	S	*	*			trans	41.5	112.7	142.8	-73.3	-62.8	0	0	0	120
610	R	30.2	Very low	29.4	Very low	234.333 Å²	234.333	167.6 Å²	167.6	88%	0.884	78%	0.779	S	S	*	*			trans	-164.2	120.5	132.1	-89.9	178.6	-177.7	-162.1	-0.8	114.5
611	R	30.4	Very low	29.4	Very low	201.667 Å²	201.667	169.4 Å²	169.4	76%	0.761	78%	0.776	S	S	*	*			trans	-124.7	150.5	169.3	-98.6	177.2	176.9	-174.2	0	112.7
612	R	29.4	Very low	29.4	Very low	201 Å²	201	174.3 Å²	174.3	76%	0.758	78%	0.781	S	S	*	*			trans	109.7	123.4	170.3	-79.1	169.6	178.6	171.8	-2	113.8
613	R	28.6	Very low	29.4	Very low	224 Å²	224	175.5 Å²	175.5	85%	0.845	78%	0.781	S	S	*	*				100.5	140.7	109.8	-79	178.5	176	-176.4	-2.4	113.4
614	L	28.4	Very low	29.5	Very low	147 Å²	147	176.7 Å²	176.7	77%	0.77	78%	0.781	S	S	*	*			trans	-120.2	136.1	133.6	-84.9	102.4	0	0	0	112.3
615	N	31	Very low	29.6	Very low	142.667 Å²	142.667	177.6 Å²	177.6	76%	0.763	79%	0.786	S	S	*	*				-159	137.3	128.6	-112.1	-16.2	0	0	0	107.1
616	K	31.2	Very low	29.7	Very low	174.667 Å²	174.667	180.1 Å²	180.1	76%	0.759	79%	0.79	S	S	*	*				79.9	89.5	54.4	-88.8	-177.5	178.6	179.2	0	115
617	Y	29	Very low	29.9	Very low	227.333 Å²	227.333	184.1 Å²	184.1	89%	0.892	80%	0.795	S	S	*	*				-96	133.7	109	-95.9	-96.8	0	0	0	114.2
618	K	30.4	Very low	29.8	Very low	197.667 Å²	197.667	184.9 Å²	184.9	86%	0.859	80%	0.796	S	S	*	*			trans	-178.1	114.8	134.6	-82.5	179	175.5	-174.3	0	111.7
619	R	27.8	Very low	29.8	Very low	226 Å²	226	186.4 Å²	186.4	85%	0.853	80%	0.803	S	S	*	*				97	89.2	100.6	-137.2	-179	-177.5	179.8	0.4	114.3
620	S	30.1	Very low	29.9	Very low	96.6667 Å²	96.6667	189.2 Å²	189.2	68%	0.676	81%	0.81	S	S	*	*				178.5	120.1	124.4	89	0	0	0	0	109
621	Y	28	Very low	29.8	Very low	182.333 Å²	182.333	188.2 Å²	188.2	72%	0.715	81%	0.806	S	S	*	*				77.2	126.2	62.2	-80	-76.1	0	0	0	115.2
622	Y	29.3	Very low	29.7	Very low	202.333 Å²	202.333	189.3 Å²	189.3	79%	0.793	81%	0.81	S	S	*	*			trans	37.3	131.7	146.4	-78.3	-73.7	0	0	0	117.6
623	Y	29.3	Very low	29.7	Very low	214 Å²	214	187.5 Å²	187.5	84%	0.839	81%	0.81	S	S	*	*				177.4	126.3	113.6	-118	-76.3	0	0	0	115.5
624	R	30	Very low	29.8	Very low	215 Å²	215	183.4 Å²	183.4	81%	0.811	80%	0.803	S	S	*	*			trans	-165.6	94.3	165.7	-169.4	-176.3	-162.6	-179.7	3.6	113.3	K626	R624-K626 HydrophobicContact CG-CG 4.43Å; R624-K626 PolarHBondContact O-N 2.71Å
625	N	30.8	Very low	29.8	Very low	155.667 Å²	155.667	183.6 Å²	183.6	83%	0.832	80%	0.804	S	S	*	*			trans	-58.4	120.3	169.9	-80.6	-12.7	0	0	0	113
626	K	31.5	Very low	29.8	Very low	192.333 Å²	192.333	181.2 Å²	181.2	84%	0.836	80%	0.798	S	S	*	*			trans	-99.5	128.5	152.8	-77.6	-174.7	175.8	-178.5	0	108.6	R624 K628	R624-K626 HydrophobicContact CG-CG 4.43Å; R624-K626 PolarHBondContact O-N 2.71Å; K626-K628 PolarHBondContact O-N 2.99Å
627	R	30.7	Very low	29.9	Very low	224 Å²	224	180 Å²	180	85%	0.845	80%	0.8	S	S	*	*			trans	-83.4	126.1	162.3	-72.7	-177.8	173.3	179.8	-2.1	108.5	E743	R627-E743 IonicContact CZ-OE1 2.89Å; R627-E743 VanDerWaalsContact CZ-OE1 3.25Å; R627-E743 IonicContact CZ-OE2 2.74Å; R627-E743 IonicContact NH1-OE1 3.52Å; R627-E743 PolarHBondContact NH1-OE1 2.74Å; R627-E743 IonicContact NH1-OE2 3.38Å; R627-E743 PolarHBondContact NH1-OE2 3.17Å; R627-E743 IonicContact NH2-OE1 2.75Å; R627-E743 PolarHBondContact NH2-OE1 2.64Å; R627-E743 IonicContact NH2-OE2 3.42Å; R627-E743 PolarHBondContact NH2-OE2 3.17Å
628	K	30.7	Very low	30.2	Very low	196.333 Å²	196.333	177.6 Å²	177.6	85%	0.854	80%	0.797	S	S	*	*			trans	-124.9	145.3	146.8	-92.5	-171.2	175.1	-171.1	0	107.1	K626 F630	K626-K628 PolarHBondContact O-N 2.99Å; K628-F630 PolarHBondContact O-N 2.97Å
629	P	31.3	Very low	30.5	Very low	122 Å²	122	177.2 Å²	177.2	79%	0.792	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-73.6	144.3	178.8	31	-33.8	0	0	0	110.4	R631	P629-R631 PolarHBondContact O-N 2.98Å
630	F	29.6	Very low	30.8	Very low	197 Å²	197	172.8 Å²	172.8	86%	0.864	79%	0.792	S	S	*	*			trans	-91.1	121.1	163.6	-122.4	-92.7	0	0	0	108.3	K628 R632	K628-F630 PolarHBondContact O-N 2.97Å; F630-R632 PolarHBondContact O-N 2.7Å
631	R	28.7	Very low	31.2	Very low	212 Å²	212	178.9 Å²	178.9	80%	0.8	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-71	143.8	162.6	-88.4	-174.9	168.9	-176	-4.1	108.3	P629 E633	P629-R631 PolarHBondContact O-N 2.98Å; R631-E633 WeakPolarHBondContact CD-OE1 3.17Å; R631-E633 IonicContact CZ-OE1 2.75Å; R631-E633 IonicContact NE-OE1 3.57Å; R631-E633 IonicContact NH1-OE1 3.39Å; R631-E633 PolarHBondContact NH1-OE1 2.88Å; R631-E633 PolarHBondContact O-N 3.05Å
632	R	28.7	Very low	31.4	Very low	226 Å²	226	176.8 Å²	176.8	85%	0.853	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-77.4	120.4	151.2	-76.1	-177.1	176.8	136.1	-2.8	106.9	F630 I634	F630-R632 PolarHBondContact O-N 2.7Å; R632-I634 VanDerWaalsContact C-N 3.3Å; R632-I634 HydrophobicContact CB-CG1 4.24Å; R632-I634 PolarHBondContact O-N 3.41Å
633	E	27.8	Very low	31.7	Very low	162.333 Å²	162.333	174.3 Å²	174.3	76%	0.759	80%	0.803	S	S	*	*			trans	-93.3	115.6	153.5	-79.9	158.1	-170.5	0	0	105.9	R631 I635	R631-E633 WeakPolarHBondContact CD-OE1 3.17Å; R631-E633 IonicContact CZ-OE1 2.75Å; R631-E633 IonicContact NE-OE1 3.57Å; R631-E633 IonicContact NH1-OE1 3.39Å; R631-E633 PolarHBondContact NH1-OE1 2.88Å; R631-E633 PolarHBondContact O-N 3.05Å; E633-I635 PolarHBondContact O-N 2.85Å
634	I	31.2	Very low	31.9	Very low	137.333 Å²	137.333	168.7 Å²	168.7	70%	0.704	80%	0.795	S	S	*	*			trans	-98.4	131.9	166.8	-67.6	170.4	0	0	0	104.8	R632 S636	R632-I634 VanDerWaalsContact C-N 3.3Å; R632-I634 HydrophobicContact CB-CG1 4.24Å; R632-I634 PolarHBondContact O-N 3.41Å; I634-S636 VanDerWaalsContact CG2-OG 3.3Å; I634-S636 WeakPolarHBondContact CG2-OG 3.48Å; I634-S636 PolarHBondContact O-N 2.91Å
635	I	28.9	Very low	32.1	Very low	152.667 Å²	152.667	164 Å²	164	78%	0.783	79%	0.79	S	S	*	*			trans	-80.7	116.1	176.5	-59.7	166.7	0	0	0	106.4	E633	E633-I635 PolarHBondContact O-N 2.85Å
636	S	30.7	Very low	32.4	Very low	91.6667 Å²	91.6667	166.3 Å²	166.3	64%	0.641	79%	0.788	S	S	*	*			trans	-126.7	136.3	138	-30.2	0	0	0	0	107.7	I634	I634-S636 VanDerWaalsContact CG2-OG 3.3Å; I634-S636 WeakPolarHBondContact CG2-OG 3.48Å; I634-S636 PolarHBondContact O-N 2.91Å
637	D	33.7	Very low	32.6	Very low	149.333 Å²	149.333	165 Å²	165	80%	0.799	79%	0.785	S	S	*	*			trans	-88.4	155.9	172.9	-57.1	-62.8	0	0	0	112
638	E	34.9	Very low	32.9	Very low	176 Å²	176	158.3 Å²	158.3	82%	0.822	78%	0.778	S	S	*	*			trans	-39.5	146.7	163	-53.7	-163.5	163.1	0	0	113.3
639	E	35.8	Very low	33.3	Very low	189.667 Å²	189.667	156.2 Å²	156.2	89%	0.886	78%	0.776	S	S	*	*				-164.6	150.5	81.6	-103.7	172.5	-161.1	0	0	109
640	D	35.2	Very low	33.9	Very low	134.667 Å²	134.667	154.4 Å²	154.4	72%	0.72	77%	0.772	S	S	*	*			trans	-102.1	169.1	-170.1	-96.7	-40.8	0	0	0	111.5
641	Y	37.4	Very low	34.5	Very low	224 Å²	224	152.5 Å²	152.5	88%	0.878	77%	0.77	S	S	*	*			trans	168	122.9	133.6	-108.4	-88.8	0	0	0	114.8
642	N	33.7	Very low	35.5	Very low	137.667 Å²	137.667	149.9 Å²	149.9	74%	0.736	77%	0.772	S	S	*	*			trans	-91	158.8	167.1	-69.1	-61.3	0	0	0	110.9
643	D	35.1	Very low	36.3	Very low	150.667 Å²	150.667	145.8 Å²	145.8	81%	0.806	77%	0.767	S	S	*	*			trans	-178.3	166.7	137.1	-124	-23.8	0	0	0	113.4
644	S	33.3	Very low	36.9	Very low	96.6667 Å²	96.6667	141.1 Å²	141.1	68%	0.676	76%	0.763	S	S	*	*			trans	-154.1	159.4	-149.5	59.3	0	0	0	0	115.1
645	V	34.9	Very low	37.7	Very low	115.667 Å²	115.667	140.8 Å²	140.8	70%	0.701	76%	0.762	S	S	*	*			trans	92.6	136.2	153.6	175.7	0	0	0	0	115.2
646	Y	37.2	Very low	38.6	Very low	203.667 Å²	203.667	140 Å²	140	80%	0.799	76%	0.76	S	S	*	*				162.7	147.9	116.5	-97.9	-97	0	0	0	112
647	E	34.1	Very low	39.4	Very low	166.333 Å²	166.333	141.7 Å²	141.7	78%	0.777	76%	0.761	S	S	*	*			cis	-149.9	165.5	-32.6	-112.6	175.8	164.8	0	0	108.7
648	A	38.2	Very low	40.2	Very low	83.6667 Å²	83.6667	141.2 Å²	141.2	69%	0.691	76%	0.759	S	S	*	*			trans	96.9	125.5	161	0	0	0	0	0	116.8
649	D	37.9	Very low	40.6	Very low	151.667 Å²	151.667	139.4 Å²	139.4	81%	0.811	76%	0.755	S	S	*	*			cis	-179.8	166.6	23.6	-81.8	-23.8	0	0	0	115.2
650	A	43.8	Very low	40.9	Very low	84.3333 Å²	84.3333	136.8 Å²	136.8	70%	0.697	75%	0.747	S	S	*	*			trans	68.9	113.8	163.9	0	0	0	0	0	119.2
651	D	43.6	Very low	41	Very low	157 Å²	157	137 Å²	137	84%	0.84	75%	0.748	S	S	*	*				75.4	138	50.7	-60.4	-29.3	0	0	0	114.7
652	D	49	Very low	41.1	Very low	157 Å²	157	131.3 Å²	131.3	84%	0.84	74%	0.742	S	S	*	*				168.4	151.8	126	-129.5	5.7	0	0	0	115.1
653	D	45.4	Very low	41	Very low	140 Å²	140	131.3 Å²	131.3	75%	0.749	74%	0.741	S	S	*	*			trans	-128	163.8	-157.3	-101.8	-36.1	0	0	0	112.8
654	G	41	Very low	41	Very low	64.3333 Å²	64.3333	131.8 Å²	131.8	66%	0.663	74%	0.739	S	S	*	*			trans	124.3	134.7	167.1	0	0	0	0	0	117.3
655	D	47.5	Very low	40.9	Very low	130 Å²	130	133.1 Å²	133.1	70%	0.695	74%	0.738	S	S	*	*			cis	177.8	160	11.9	-81.6	-33.7	0	0	0	112	K1328	D655-K1328 HydrophobicContact CB-CD 4.24Å; D655-K1328 VanDerWaalsContact OD1-CD 3.24Å; D655-K1328 WeakPolarHBondContact OD1-CD 3.44Å; D655-K1328 WeakPolarHBondContact OD1-CE 3.41Å; D655-K1328 IonicContact OD1-NZ 3.39Å; D655-K1328 PolarHBondContact OD1-NZ 2.93Å; D655-K1328 WeakPolarHBondContact OD2-CD 3.28Å; D655-K1328 IonicContact OD2-NZ 2.76Å
656	D	47.3	Very low	40.7	Very low	136.667 Å²	136.667	135 Å²	135	73%	0.731	74%	0.743	S	S	*	*			trans	100.8	115.2	153.4	-65.8	-16.6	0	0	0	116.8	R1327	D656-R1327 VanDerWaalsContact C-NH1 3.33Å; D656-R1327 VanDerWaalsContact CG-NH1 3.31Å; D656-R1327 VanDerWaalsContact OD1-CD 3.28Å; D656-R1327 WeakPolarHBondContact OD1-CD 3.39Å; D656-R1327 IonicContact OD1-CZ 3.14Å; D656-R1327 IonicContact OD1-NE 3.76Å; D656-R1327 IonicContact OD1-NH1 3.14Å; D656-R1327 PolarHBondContact OD1-NH1 2.81Å
657	D	48	Very low	40.5	Very low	126 Å²	126	129.3 Å²	129.3	67%	0.674	74%	0.738	S	S	*	*				72.4	146.1	90.6	-76	-9.1	0	0	0	117.1	R1327	D657-R1327 VanDerWaalsContact CA-NH2 3.33Å; D657-R1327 VanDerWaalsContact CG-NH2 3.28Å; D657-R1327 VanDerWaalsContact N-NH2 3.14Å; D657-R1327 IonicContact OD1-CZ 2.72Å; D657-R1327 IonicContact OD1-NE 2.71Å; D657-R1327 IonicContact OD1-NH1 3.71Å; D657-R1327 PolarHBondContact OD1-NH1 2.92Å; D657-R1327 VanDerWaalsContact OD1-NH1 3.14Å; D657-R1327 IonicContact OD1-NH2 3.05Å; D657-R1327 PolarHBondContact OD1-NH2 2.81Å; D657-R1327 IonicContact OD2-CZ 3.63Å; D657-R1327 IonicContact OD2-NH1 2.68Å; D657-R1327 PolarHBondContact OD2-NH1 3.24Å; D657-R1327 VanDerWaalsContact OD2-NH1 3.14Å; D657-R1327 IonicContact OD2-NH2 3.22Å
658	D	49.9	Very low	40.4	Very low	138.667 Å²	138.667	130 Å²	130	74%	0.742	74%	0.741	S	S	*	*			cis	-133.9	159.9	18.5	-119.2	-28.9	0	0	0	113.1
659	D	45.3	Very low	40.1	Very low	140 Å²	140	129 Å²	129	75%	0.749	74%	0.739	S	S	*	*			trans	11.8	156.5	142.8	-112.9	-5.5	0	0	0	122
660	N	40.3	Very low	39.8	Very low	133.667 Å²	133.667	130.2 Å²	130.2	72%	0.715	74%	0.737	S	S	*	*			trans	-157.6	168.4	153.6	-129.9	-26.1	0	0	0	117.6
661	D	37.4	Very low	39.2	Very low	138.333 Å²	138.333	136.5 Å²	136.5	74%	0.74	74%	0.743	S	S	*	*			trans	-85.5	156.3	175.9	-103.8	-34.7	0	0	0	118.8
662	S	39.4	Very low	38.6	Very low	106.333 Å²	106.333	133.3 Å²	133.3	74%	0.744	73%	0.733	S	S	*	*			trans	-171.3	130.3	153.5	45.2	0	0	0	0	113.7
663	N	33.3	Very low	37.8	Very low	136.333 Å²	136.333	131.7 Å²	131.7	73%	0.729	72%	0.724	S	S	*	*				102.1	138.9	108.6	-112.3	-17	0	0	0	118.6
664	E	33.4	Very low	37.1	Very low	162.333 Å²	162.333	130.8 Å²	130.8	76%	0.759	72%	0.719	S	S	*	*			trans	71.1	146.2	147.9	-70.8	-161	157.1	0	0	122.4
665	N	32.1	Very low	36.6	Very low	122.667 Å²	122.667	134.7 Å²	134.7	66%	0.656	72%	0.724	S	S	*	*			cis	160	152.9	-42.6	-104	-34.9	0	0	0	115
666	I	31	Very low	35.9	Very low	156.667 Å²	156.667	135.3 Å²	135.3	80%	0.803	73%	0.727	S	S	*	*			trans	77.8	143.1	150.2	-59.1	172	0	0	0	117.7
667	A	32.2	Very low	35.1	Very low	83.3333 Å²	83.3333	135.3 Å²	135.3	69%	0.689	73%	0.732	S	S	*	*			cis	-179.5	143.8	-5.3	0	0	0	0	0	114.5
668	E	32.5	Very low	34.2	Very low	181 Å²	181	132.4 Å²	132.4	85%	0.846	73%	0.732	S	S	*	*			trans	46.6	140.4	139.8	-51.7	-159	137.3	0	0	119.2	K670	E668-K670 WeakPolarHBondContact OE1-CE 3.3Å; E668-K670 IonicContact OE1-NZ 2.68Å; E668-K670 PolarHBondContact OE1-NZ 3.23Å
669	G	31	Very low	33.4	Very low	63 Å²	63	135.9 Å²	135.9	65%	0.649	74%	0.74	S	S	*	*			cis	166.5	134.6	21.8	0	0	0	0	0	116.9
670	K	33.2	Very low	32.6	Very low	177.333 Å²	177.333	140.1 Å²	140.1	77%	0.771	75%	0.746	S	S	*	*			trans	78.9	136.7	139.8	-61.6	161	-178.7	163.4	0	115.3	E668	E668-K670 WeakPolarHBondContact OE1-CE 3.3Å; E668-K670 IonicContact OE1-NZ 2.68Å; E668-K670 PolarHBondContact OE1-NZ 3.23Å
671	R	29.7	Very low	32.1	Very low	216 Å²	216	140.3 Å²	140.3	82%	0.815	75%	0.746	S	S	*	*			cis	165.7	156.6	16	-92.2	-175.1	179.3	179.9	-1.6	108
672	S	31.7	Very low	31.7	Very low	90.6667 Å²	90.6667	139 Å²	139	63%	0.634	74%	0.743	S	S	*	*			cis	161.4	168.4	23.1	44.6	0	0	0	0	111
673	N	31.3	Very low	31.3	Very low	122.667 Å²	122.667	140.2 Å²	140.2	66%	0.656	75%	0.746	S	S	*	*			trans	102.1	159.7	-175.2	-78.9	67.9	0	0	0	113.9
674	D	31.1	Very low	31	Very low	120.333 Å²	120.333	142.4 Å²	142.4	64%	0.643	75%	0.749	S	S	*	*			cis	169.4	146.8	10.1	-93.5	-17.7	0	0	0	115.8
675	L	31.1	Very low	31	Very low	147.667 Å²	147.667	140.7 Å²	140.7	77%	0.773	75%	0.75	S	S	*	*				168.6	138.7	115.2	-133.9	64.5	0	0	0	117.8
676	L	31.6	Very low	30.8	Very low	141.667 Å²	141.667	141.5 Å²	141.5	74%	0.742	75%	0.754	S	S	*	*			trans	35.3	149.3	157.7	-66.1	143.6	0	0	0	117.1
677	T	30.8	Very low	31.4	Very low	136 Å²	136	139.4 Å²	139.4	83%	0.834	75%	0.751	S	S	*	*				-167.3	137.9	64.1	29.7	0	0	0	0	115.6
678	G	30	Very low	31.4	Very low	66 Å²	66	142.1 Å²	142.1	68%	0.68	76%	0.758	S	S	*	*				177.8	121.4	122.7	0	0	0	0	0	116.8
679	K	33.7	Very low	31.4	Very low	212.333 Å²	212.333	136.3 Å²	136.3	92%	0.923	75%	0.747	S	S	*	*			trans	89.5	119.2	156.2	-70.6	179.1	178.7	174	0	116.4
680	R	28	Very low	31.4	Very low	227.667 Å²	227.667	141.4 Å²	141.4	86%	0.859	76%	0.759	S	S	*	*				-161.8	146	99.8	-154.4	-177	176.2	-161.1	0.3	113.7
681	L	30.3	Very low	31.4	Very low	137.667 Å²	137.667	136.2 Å²	136.2	72%	0.721	76%	0.756	S	S	*	*			trans	-177.8	146.8	156.6	-91.3	150.9	0	0	0	110
682	T	28.9	Very low	31.4	Very low	111.333 Å²	111.333	131.4 Å²	131.4	68%	0.683	76%	0.756	S	S	*	*			cis	155	149.5	32.6	51.7	0	0	0	0	112.3
683	T	29.8	Very low	31.4	Very low	130.667 Å²	130.667	133 Å²	133	80%	0.802	76%	0.762	S	S	*	*			trans	87.4	154.5	171.5	21.4	0	0	0	0	115.4
684	K	28.4	Very low	31.4	Very low	182.667 Å²	182.667	132.7 Å²	132.7	79%	0.794	76%	0.764	S	S	*	*			cis	-150.4	159.4	-7.2	-114.3	169	179.2	-173.6	0	110.2
685	V	32.3	Very low	31.4	Very low	126.667 Å²	126.667	133.5 Å²	133.5	77%	0.768	77%	0.773	S	S	*	*			trans	88.8	131.8	134.1	-179.4	0	0	0	0	112.9
686	N	29.1	Very low	31.2	Very low	141 Å²	141	133.4 Å²	133.4	75%	0.754	77%	0.772	S	S	*	*				-136	175.8	116	-85.1	11.2	0	0	0	115
687	P	41.8	Very low	31.1	Very low	112.667 Å²	112.667	132 Å²	132	73%	0.732	78%	0.775	S	S	*	*				-131.4	179	-57.6	41.2	-25.5	0	0	0	116.6
688	V	33.2	Very low	31	Very low	139.333 Å²	139.333	132.1 Å²	132.1	84%	0.844	78%	0.775	S	S	*	*			trans	100.5	135.9	163.3	-175.8	0	0	0	0	113.1
689	G	32	Very low	31.1	Very low	59 Å²	59	133.9 Å²	133.9	61%	0.608	78%	0.777	S	S	*	*			cis	155.1	145.8	-0.8	0	0	0	0	0	111.7
690	D	31.6	Very low	31	Very low	170.333 Å²	170.333	131 Å²	131	91%	0.911	77%	0.772	S	S	*	*				106.3	149.7	91	-69.5	-37.9	0	0	0	113.7
691	G	33	Very low	31.2	Very low	68.3333 Å²	68.3333	127.1 Å²	127.1	70%	0.704	77%	0.768	S	S	*	*			cis	-173.5	161.6	11.2	0	0	0	0	0	112.7
692	S	30.3	Very low	31.1	Very low	114.333 Å²	114.333	128.6 Å²	128.6	80%	0.8	78%	0.777	S	S	*	*			trans	35.3	147.9	148.5	-94.5	0	0	0	0	114.6
693	T	31.9	Very low	31.2	Very low	125 Å²	125	127.4 Å²	127.4	77%	0.767	78%	0.778	S	S	*	*			cis	-161.6	144.2	21.9	-23.5	0	0	0	0	113.8
694	V	30	Very low	31.3	Very low	116.667 Å²	116.667	127.8 Å²	127.8	71%	0.707	78%	0.781	S	S	*	*			trans	-16	143	151.8	-161.3	0	0	0	0	117.8	L696	V694-L696 HydrophobicContact CG1-CD1 3.89Å
695	V	31.3	Very low	31.4	Very low	136.333 Å²	136.333	128.5 Å²	128.5	83%	0.826	78%	0.78	S	S	*	*				-162.7	152	101.1	168.9	0	0	0	0	112.4
696	L	26.5	Very low	31.5	Very low	145.333 Å²	145.333	130.1 Å²	130.1	76%	0.761	78%	0.777	S	S	*	*			trans	-65.4	149.9	-179.2	-61.7	95.2	0	0	0	117	V694	V694-L696 HydrophobicContact CG1-CD1 3.89Å
697	S	29.9	Very low	31.7	Very low	113.333 Å²	113.333	128.7 Å²	128.7	79%	0.793	77%	0.769	S	S	*	*				161.3	139.9	126	-75.3	0	0	0	0	118.2
698	T	28.7	Very low	31.6	Very low	137 Å²	137	128.8 Å²	128.8	84%	0.84	77%	0.772	S	S	*	*			trans	-40.4	129.2	169.1	45.8	0	0	0	0	119.1
699	S	33.5	Very low	31.7	Very low	104 Å²	104	130 Å²	130	73%	0.727	77%	0.769	S	S	*	*			trans	172.3	139.8	137.1	59	0	0	0	0	116.2	N701	S699-N701 PolarHBondContact O-N 2.91Å
700	N	30.5	Very low	31.8	Very low	152 Å²	152	133.4 Å²	133.4	81%	0.813	77%	0.773	S	S	*	*			trans	-107.1	131.2	161.1	-73.1	-27.4	0	0	0	114	N702	N700-N702 PolarHBondContact O-N 3.4Å
701	N	31.5	Very low	32.1	Very low	146 Å²	146	131.6 Å²	131.6	78%	0.781	76%	0.763	S	S	*	*			trans	-92.1	126.1	148.3	-72	-23.8	0	0	0	114.5	S699 A703	S699-N701 PolarHBondContact O-N 2.91Å; N701-A703 PolarHBondContact O-N 3.23Å
702	N	29.8	Very low	32.2	Very low	169 Å²	169	136.5 Å²	136.5	90%	0.904	77%	0.768	S	S	*	*			trans	-118.8	111.2	145.9	-96.2	-18.8	0	0	0	112.7	N700	N700-N702 PolarHBondContact O-N 3.4Å
703	A	29.6	Very low	32.5	Very low	85.6667 Å²	85.6667	134.2 Å²	134.2	71%	0.708	76%	0.756	S	S	*	*			trans	-107.7	150.6	174.2	0	0	0	0	0	113.5	N701 Y705	N701-A703 PolarHBondContact O-N 3.23Å; A703-Y705 PolarHBondContact O-N 3.24Å; A703-Y705 VanDerWaalsContact O-N 3.12Å
704	T	32.4	Very low	32.9	Very low	138.667 Å²	138.667	133.7 Å²	133.7	85%	0.851	76%	0.755	S	S	*	*			trans	-103.6	103.3	156.7	44.1	0	0	0	0	114.1	F706	T704-F706 PolarHBondContact O-N 3.09Å
705	Y	31.3	Very low	33.3	Very low	198.333 Å²	198.333	136.6 Å²	136.6	78%	0.778	76%	0.761	S	S	*	*			trans	-79.5	106.8	150	-159.3	-96.7	0	0	0	115.5	A703	A703-Y705 PolarHBondContact O-N 3.24Å; A703-Y705 VanDerWaalsContact O-N 3.12Å
706	F	34.3	Very low	33.6	Very low	160.333 Å²	160.333	137 Å²	137	70%	0.703	76%	0.755	S	S	*	*			trans	-90.8	116.9	160.4	-95.1	-96.5	0	0	0	114.4	T704 Q1077	T704-F706 PolarHBondContact O-N 3.09Å; F706-Q1077 HydrophobicContact CZ-CB 4.28Å; F706-Q1077 HydrophobicContact CZ-CG 4.31Å
707	D	33.1	Very low	34.2	Very low	111.333 Å²	111.333	135 Å²	135	60%	0.595	75%	0.753	S	S	*	*			trans	-61.9	118.1	165.6	-120.6	-1.4	0	0	0	114.4	E709 N710	D707-E709 PolarHBondContact O-N 3.02Å; D707-N710 PolarHBondContact O-N 2.91Å; D707-N710 PolarHBondContact OD2-ND2 2.76Å
708	S	38.7	Very low	34.9	Very low	114.333 Å²	114.333	135.3 Å²	135.3	80%	0.8	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	29.5	166	-67.1	0	0	0	0	113.6
709	E	36.8	Very low	36.2	Very low	165.333 Å²	165.333	133.7 Å²	133.7	77%	0.773	74%	0.736	S	S	*	*			trans	-111.9	78.4	-168.2	-56	-173.2	151.8	0	0	113.9	D707	D707-E709 PolarHBondContact O-N 3.02Å
710	N	33.4	Very low	38.2	Very low	129.333 Å²	129.333	130.6 Å²	130.6	69%	0.692	72%	0.715	S	S	*	*			trans	-154.4	67	162.2	-88.9	-55	0	0	0	116.3	D707 E712	D707-N710 PolarHBondContact O-N 2.91Å; D707-N710 PolarHBondContact OD2-ND2 2.76Å; N710-E712 PolarHBondContact O-N 3.38Å
711	D	37	Very low	40.2	Very low	132 Å²	132	128.6 Å²	128.6	71%	0.706	70%	0.703	S	S	*	*	S	Bend	trans	-133	89.8	158	-117.9	-13.5	0	0	0	109	K1105 R1109	D711-K1105 WeakPolarHBondContact OD2-CE 3.37Å; D711-K1105 IonicContact OD2-NZ 3.68Å; D711-K1105 PolarHBondContact OD2-NZ 2.82Å; D711-R1109 IonicContact OD1-NH2 3.05Å; D711-R1109 IonicContact OD2-CZ 3.78Å; D711-R1109 IonicContact OD2-NH1 3.23Å; D711-R1109 IonicContact OD2-NH2 2.64Å; D711-R1109 PolarHBondContact OD2-NH2 3.41Å
712	E	35.6	Very low	42.3	Very low	172.667 Å²	172.667	128.4 Å²	128.4	81%	0.807	70%	0.698	S	S	*	*	S	Bend	trans	104.1	108.8	-176	-73	-132	152.1	0	0	114.2	N710	N710-E712 PolarHBondContact O-N 3.38Å
713	A	36.7	Very low	44.2	Very low	65.6667 Å²	65.6667	124.5 Å²	124.5	54%	0.543	68%	0.677	S	S	.	*			trans	-102.4	120.6	179.2	0	0	0	0	0	111.9	E715 M716	A713-E715 PolarHBondContact O-N 3.25Å; A713-E715 VanDerWaalsContact O-N 3.14Å; A713-M716 WeakPolarHBondContact O-CB 3.23Å; A713-M716 PolarHBondContact O-N 3.05Å
714	P	40.2	Very low	46.4	Very low	115 Å²	115	126.6 Å²	126.6	75%	0.747	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	1.5	-179.5	-8.4	14	0	0	0	115.5	M716 S717	P714-M716 VanDerWaalsContact C-N 3.31Å; P714-M716 PolarHBondContact O-N 2.88Å; P714-S717 PolarHBondContact O-OG 3.16Å
715	E	38	Very low	48.5	Very low	176.667 Å²	176.667	122.9 Å²	122.9	83%	0.826	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.5	17.1	174.2	-64.4	-168.4	127	0	0	115.3	A713 S717 T718	A713-E715 PolarHBondContact O-N 3.25Å; A713-E715 VanDerWaalsContact O-N 3.14Å; E715-S717 PolarHBondContact O-N 2.95Å; E715-T718 PolarHBondContact O-N 2.76Å
716	M	37.4	Very low	50.7	Low	144 Å²	144	118.4 Å²	118.4	71%	0.709	64%	0.639	S	S	*	*	S	Bend	trans	-91.9	28.8	169.5	-134.1	153.8	-37.6	0	0	112.8	A713 P714 T718	A713-M716 WeakPolarHBondContact O-CB 3.23Å; A713-M716 PolarHBondContact O-N 3.05Å; P714-M716 VanDerWaalsContact C-N 3.31Å; P714-M716 PolarHBondContact O-N 2.88Å; M716-T718 VanDerWaalsContact C-N 3.27Å; M716-T718 PolarHBondContact O-N 3.11Å
717	S	40.3	Very low	52.6	Low	103.667 Å²	103.667	117 Å²	117	73%	0.725	63%	0.633	S	S	*	*	S	Bend	trans	-70.4	3.2	177.6	58.5	0	0	0	0	113.4	P714 E715 I719	P714-S717 PolarHBondContact O-OG 3.16Å; E715-S717 PolarHBondContact O-N 2.95Å; S717-I719 PolarHBondContact O-N 3.38Å
718	T	43.9	Very low	54.7	Low	119.667 Å²	119.667	117.1 Å²	117.1	73%	0.734	63%	0.63	S	S	*	*			trans	-111.2	106.5	175.2	47.9	0	0	0	0	111.1	E715 M716 S720	E715-T718 PolarHBondContact O-N 2.76Å; M716-T718 VanDerWaalsContact C-N 3.27Å; M716-T718 PolarHBondContact O-N 3.11Å; T718-S720 VanDerWaalsContact C-N 3.34Å; T718-S720 PolarHBondContact O-N 3Å
719	I	55.2	Low	56.6	Low	103 Å²	103	114.6 Å²	114.6	53%	0.528	61%	0.612	S	S	.	*			trans	-69.7	108.9	168.9	-55.4	174.3	0	0	0	107.7	S717 N723 R724	S717-I719 PolarHBondContact O-N 3.38Å; I719-N723 HydrophobicContact CG2-CB 4Å; I719-R724 HydrophobicContact CG2-CG 3.97Å
720	S	76.1	Confident	58.4	Low	40.6667 Å²	40.6667	111.2 Å²	111.2	28%	0.284	60%	0.598	S	S	.	*			trans	-67.1	158.6	174.6	72.5	0	0	0	0	111.7	T718 E722 N723 R724	T718-S720 VanDerWaalsContact C-N 3.34Å; T718-S720 PolarHBondContact O-N 3Å; S720-E722 VanDerWaalsContact C-N 3.3Å; S720-E722 WeakPolarHBondContact CB-OE2 3.31Å; S720-E722 PolarHBondContact O-N 3.15Å; S720-E722 PolarHBondContact OG-OE2 2.96Å; S720-N723 WeakPolarHBondContact O-CA 3.3Å; S720-N723 WeakPolarHBondContact O-CB 3.33Å; S720-N723 PolarHBondContact O-N 3.08Å; S720-N723 PolarHBondContact OG-N 3.31Å; S720-N723 PolarHBondContact OG-ND2 3.4Å; S720-R724 PolarHBondContact O-N 3Å
721	D	73.2	Confident	60.2	Low	108.667 Å²	108.667	108.9 Å²	108.9	58%	0.581	58%	0.583	S	S	*	*	H	α-helix	trans	-70	-22.8	179.1	-68.5	-59.1	0	0	0	112.7	R724 A725	D721-R724 PolarHBondContact O-N 3.1Å; D721-R724 WeakPolarHBondContact OD1-CD 3.37Å; D721-R724 IonicContact OD1-CZ 2.93Å; D721-R724 IonicContact OD1-NE 3.25Å; D721-R724 IonicContact OD1-NH1 3.78Å; D721-R724 PolarHBondContact OD1-NH1 3.24Å; D721-R724 IonicContact OD2-NH1 2.7Å; D721-A725 VanDerWaalsContact O-CB 3.28Å; D721-A725 WeakPolarHBondContact O-CB 3.29Å; D721-A725 PolarHBondContact O-N 3.35Å
722	E	74.8	Confident	61.9	Low	142 Å²	142	105.3 Å²	105.3	66%	0.664	57%	0.572	S	S	*	*	H	α-helix	trans	-64	-41.9	167.4	-51.8	111.3	168	0	0	111.4	S720 R724 A725 L726	S720-E722 VanDerWaalsContact C-N 3.3Å; S720-E722 WeakPolarHBondContact CB-OE2 3.31Å; S720-E722 PolarHBondContact O-N 3.15Å; S720-E722 PolarHBondContact OG-OE2 2.96Å; E722-R724 VanDerWaalsContact C-N 3.3Å; E722-R724 PolarHBondContact O-N 3.03Å; E722-A725 PolarHBondContact O-N 3.2Å; E722-L726 WeakPolarHBondContact O-CB 3.45Å; E722-L726 PolarHBondContact O-N 2.91Å
723	N	70.9	Confident	63.7	Low	88.3333 Å²	88.3333	101.5 Å²	101.5	47%	0.472	56%	0.557	S	S	.	*	H	α-helix	trans	-66.8	-32.1	176.4	-74.3	-21.9	0	0	0	111.9	I719 S720 F727	I719-N723 HydrophobicContact CG2-CB 4Å; S720-N723 WeakPolarHBondContact O-CA 3.3Å; S720-N723 WeakPolarHBondContact O-CB 3.33Å; S720-N723 PolarHBondContact O-N 3.08Å; S720-N723 PolarHBondContact OG-N 3.31Å; S720-N723 PolarHBondContact OG-ND2 3.4Å; N723-F727 VanDerWaalsContact O-CB 3.31Å; N723-F727 WeakPolarHBondContact O-CB 3.41Å; N723-F727 PolarHBondContact O-N 2.98Å; N723-F727 VanDerWaalsContact O-N 3.13Å
724	R	74.6	Confident	65.1	Low	128.667 Å²	128.667	102.4 Å²	102.4	49%	0.486	56%	0.556	S	S	.	*	H	α-helix	trans	-68.5	-46	170.5	-66.1	179.5	178.4	140.3	-0.2	111.7	I719 S720 D721 E722 L726 F727 H728	I719-R724 HydrophobicContact CG2-CG 3.97Å; S720-R724 PolarHBondContact O-N 3Å; D721-R724 PolarHBondContact O-N 3.1Å; D721-R724 WeakPolarHBondContact OD1-CD 3.37Å; D721-R724 IonicContact OD1-CZ 2.93Å; D721-R724 IonicContact OD1-NE 3.25Å; D721-R724 IonicContact OD1-NH1 3.78Å; D721-R724 PolarHBondContact OD1-NH1 3.24Å; D721-R724 IonicContact OD2-NH1 2.7Å; E722-R724 VanDerWaalsContact C-N 3.3Å; E722-R724 PolarHBondContact O-N 3.03Å; R724-L726 PolarHBondContact O-N 3.29Å; R724-F727 PolarHBondContact O-N 3.11Å; R724-H728 PolarHBondContact O-CD2 2.98Å; R724-H728 PolarHBondContact O-N 2.92Å
725	A	77.7	Confident	66.4	Low	60.6667 Å²	60.6667	103.1 Å²	103.1	50%	0.501	55%	0.549	S	S	.	.	H	α-helix	trans	-62.9	-41.8	178.4	0	0	0	0	0	111.9	D721 E722 H728 S729	D721-A725 VanDerWaalsContact O-CB 3.28Å; D721-A725 WeakPolarHBondContact O-CB 3.29Å; D721-A725 PolarHBondContact O-N 3.35Å; E722-A725 PolarHBondContact O-N 3.2Å; A725-H728 PolarHBondContact O-N 3.05Å; A725-S729 VanDerWaalsContact O-CB 3.31Å; A725-S729 WeakPolarHBondContact O-CB 3.17Å; A725-S729 PolarHBondContact O-N 2.94Å
726	L	77.8	Confident	67.8	Low	103.667 Å²	103.667	98.7 Å²	98.7	54%	0.543	54%	0.543	S	S	.	.	H	α-helix	trans	-66	-40.7	176.2	-172	119.7	0	0	0	111.7	E722 R724 H728 S729 I730	E722-L726 WeakPolarHBondContact O-CB 3.45Å; E722-L726 PolarHBondContact O-N 2.91Å; R724-L726 PolarHBondContact O-N 3.29Å; L726-H728 PolarHBondContact O-N 3.38Å; L726-S729 PolarHBondContact O-N 2.88Å; L726-I730 HydrophobicContact CD1-CD1 4.41Å; L726-I730 HydrophobicContact CD2-CD1 3.88Å; L726-I730 HydrophobicContact CG-CD1 4.17Å; L726-I730 WeakPolarHBondContact O-CB 3.32Å; L726-I730 WeakPolarHBondContact O-CG1 3.26Å; L726-I730 PolarHBondContact O-N 3.06Å; L726-I730 VanDerWaalsContact O-N 3.07Å
727	F	73.9	Confident	68.8	Low	131 Å²	131	96.7 Å²	96.7	58%	0.575	54%	0.542	S	S	*	.	H	α-helix	trans	-61.1	-44.7	171.8	-178.5	-92	0	0	0	111.9	N723 R724 S729 I730 Q731	N723-F727 VanDerWaalsContact O-CB 3.31Å; N723-F727 WeakPolarHBondContact O-CB 3.41Å; N723-F727 PolarHBondContact O-N 2.98Å; N723-F727 VanDerWaalsContact O-N 3.13Å; R724-F727 PolarHBondContact O-N 3.11Å; F727-S729 PolarHBondContact O-N 3.41Å; F727-I730 PolarHBondContact O-N 3.1Å; F727-Q731 VanDerWaalsContact O-CB 3.29Å; F727-Q731 WeakPolarHBondContact O-CB 3.44Å; F727-Q731 PolarHBondContact O-N 3.01Å
728	H	76.5	Confident	69	Low	113.667 Å²	113.667	97.1 Å²	97.1	53%	0.526	54%	0.535	S	S	.	.	H	α-helix	trans	-66.7	-36.2	176.9	-75.5	-53.9	0	0	0	113.3	R724 A725 L726 Q731 A732	R724-H728 PolarHBondContact O-CD2 2.98Å; R724-H728 PolarHBondContact O-N 2.92Å; A725-H728 PolarHBondContact O-N 3.05Å; L726-H728 PolarHBondContact O-N 3.38Å; H728-Q731 PolarHBondContact O-N 3.22Å; H728-A732 WeakPolarHBondContact O-CB 3.39Å; H728-A732 PolarHBondContact O-N 3.06Å
729	S	79.2	Confident	69.1	Low	62.3333 Å²	62.3333	97 Å²	97	44%	0.436	54%	0.537	S	S	.	.	H	α-helix	trans	-61.5	-55.4	172.4	-173.4	0	0	0	0	110.8	A725 L726 F727 Q731 A732 D733	A725-S729 VanDerWaalsContact O-CB 3.31Å; A725-S729 WeakPolarHBondContact O-CB 3.17Å; A725-S729 PolarHBondContact O-N 2.94Å; L726-S729 PolarHBondContact O-N 2.88Å; F727-S729 PolarHBondContact O-N 3.41Å; S729-Q731 VanDerWaalsContact C-N 3.29Å; S729-Q731 PolarHBondContact O-N 2.94Å; S729-A732 CarbonylContact O-C 3.56Å; S729-A732 WeakPolarHBondContact O-CA 3.23Å; S729-A732 WeakPolarHBondContact O-CB 3.31Å; S729-A732 PolarHBondContact O-N 3.19Å; S729-A732 VanDerWaalsContact O-N 3.07Å; S729-D733 VanDerWaalsContact O-CG 3.26Å; S729-D733 PolarHBondContact O-N 3.14Å; S729-D733 PolarHBondContact OG-OD2 3.26Å; S729-D733 VanDerWaalsContact OG-OD2 3.14Å
730	I	74.9	Confident	68.2	Low	93.3333 Å²	93.3333	100 Å²	100	48%	0.479	55%	0.549	S	S	.	.	H	α-helix	trans	-59.8	-37.9	179.7	-66.8	170.3	0	0	0	111	L726 F727 D733 V734	L726-I730 HydrophobicContact CD1-CD1 4.41Å; L726-I730 HydrophobicContact CD2-CD1 3.88Å; L726-I730 HydrophobicContact CG-CD1 4.17Å; L726-I730 WeakPolarHBondContact O-CB 3.32Å; L726-I730 WeakPolarHBondContact O-CG1 3.26Å; L726-I730 PolarHBondContact O-N 3.06Å; L726-I730 VanDerWaalsContact O-N 3.07Å; F727-I730 PolarHBondContact O-N 3.1Å; I730-D733 PolarHBondContact O-N 3.4Å; I730-V734 HydrophobicContact CG2-CG2 4.34Å; I730-V734 VanDerWaalsContact O-CB 3.32Å; I730-V734 WeakPolarHBondContact O-CB 3.31Å; I730-V734 VanDerWaalsContact O-CG2 3.24Å; I730-V734 WeakPolarHBondContact O-CG2 3.35Å; I730-V734 PolarHBondContact O-N 3.11Å
731	Q	70.7	Confident	66.3	Low	80.6667 Å²	80.6667	103.3 Å²	103.3	38%	0.377	57%	0.569	S	S	.	*	H	α-helix	trans	-63.4	-43.4	174.2	-174.1	179.2	-11.7	0	0	111.9	F727 H728 S729 Q735	F727-Q731 VanDerWaalsContact O-CB 3.29Å; F727-Q731 WeakPolarHBondContact O-CB 3.44Å; F727-Q731 PolarHBondContact O-N 3.01Å; H728-Q731 PolarHBondContact O-N 3.22Å; S729-Q731 VanDerWaalsContact C-N 3.29Å; S729-Q731 PolarHBondContact O-N 2.94Å; Q731-Q735 WeakPolarHBondContact O-CB 3.39Å; Q731-Q735 PolarHBondContact O-N 3.24Å
732	A	72.5	Confident	64.4	Low	56.6667 Å²	56.6667	105.9 Å²	105.9	47%	0.468	58%	0.582	S	S	.	*	H	α-helix	trans	-65.1	-44.4	176.6	0	0	0	0	0	112.1	H728 S729 Q735 A736	H728-A732 WeakPolarHBondContact O-CB 3.39Å; H728-A732 PolarHBondContact O-N 3.06Å; S729-A732 CarbonylContact O-C 3.56Å; S729-A732 WeakPolarHBondContact O-CA 3.23Å; S729-A732 WeakPolarHBondContact O-CB 3.31Å; S729-A732 PolarHBondContact O-N 3.19Å; S729-A732 VanDerWaalsContact O-N 3.07Å; A732-Q735 CarbonylContact O-C 3.49Å; A732-Q735 PolarHBondContact O-N 3.08Å; A732-Q735 VanDerWaalsContact O-N 3.16Å; A732-A736 WeakPolarHBondContact O-CB 3.38Å; A732-A736 PolarHBondContact O-N 2.91Å
733	D	72.3	Confident	62.3	Low	94 Å²	94	106.8 Å²	106.8	50%	0.503	59%	0.586	S	S	.	*	H	α-helix	trans	-63.5	-45.5	179	-68.3	-34.2	0	0	0	111.6	S729 I730 Q735 A736 C737	S729-D733 VanDerWaalsContact O-CG 3.26Å; S729-D733 PolarHBondContact O-N 3.14Å; S729-D733 PolarHBondContact OG-OD2 3.26Å; S729-D733 VanDerWaalsContact OG-OD2 3.14Å; I730-D733 PolarHBondContact O-N 3.4Å; D733-Q735 VanDerWaalsContact C-N 3.31Å; D733-Q735 PolarHBondContact O-N 3.18Å; D733-A736 PolarHBondContact O-N 3.05Å; D733-C737 WeakPolarHBondContact O-CB 3.39Å; D733-C737 PolarHBondContact O-N 3.23Å; D733-C737 PolarHBondContact O-SG 2.98Å; D733-C737 VanDerWaalsContact O-SG 3.36Å
734	V	67.5	Low	60.5	Low	85 Å²	85	107.7 Å²	107.7	52%	0.515	60%	0.599	S	S	.	*	H	α-helix	trans	-61.6	-40.2	173.5	168.7	0	0	0	0	111.1	I730 A736 C737 L738	I730-V734 HydrophobicContact CG2-CG2 4.34Å; I730-V734 VanDerWaalsContact O-CB 3.32Å; I730-V734 WeakPolarHBondContact O-CB 3.31Å; I730-V734 VanDerWaalsContact O-CG2 3.24Å; I730-V734 WeakPolarHBondContact O-CG2 3.35Å; I730-V734 PolarHBondContact O-N 3.11Å; V734-A736 VanDerWaalsContact C-N 3.33Å; V734-A736 PolarHBondContact O-N 3.26Å; V734-C737 PolarHBondContact O-N 3.37Å; V734-L738 HydrophobicContact CG1-CD1 4.3Å; V734-L738 WeakPolarHBondContact O-CG 3.47Å; V734-L738 PolarHBondContact O-N 3.18Å
735	Q	66.1	Low	58.5	Low	129.667 Å²	129.667	106.3 Å²	106.3	61%	0.606	61%	0.61	S	S	*	*	H	α-helix	trans	-75	-21.4	-179.5	-165	161.2	-10.4	0	0	113.1	Q731 A732 D733	Q731-Q735 WeakPolarHBondContact O-CB 3.39Å; Q731-Q735 PolarHBondContact O-N 3.24Å; A732-Q735 CarbonylContact O-C 3.49Å; A732-Q735 PolarHBondContact O-N 3.08Å; A732-Q735 VanDerWaalsContact O-N 3.16Å; D733-Q735 VanDerWaalsContact C-N 3.31Å; D733-Q735 PolarHBondContact O-N 3.18Å
736	A	67.3	Low	56.4	Low	82.6667 Å²	82.6667	111.3 Å²	111.3	68%	0.683	63%	0.627	S	S	*	*	H	α-helix	trans	-81.2	-30.8	168.8	0	0	0	0	0	113.1	A732 D733 V734	A732-A736 WeakPolarHBondContact O-CB 3.38Å; A732-A736 PolarHBondContact O-N 2.91Å; D733-A736 PolarHBondContact O-N 3.05Å; V734-A736 VanDerWaalsContact C-N 3.33Å; V734-A736 PolarHBondContact O-N 3.26Å
737	C	59.6	Low	54.3	Low	102.667 Å²	102.667	111.1 Å²	111.1	69%	0.694	63%	0.634	S	S	*	*	H	α-helix	trans	-83	-9	179.1	-68.4	0	0	0	0	114.5	D733 V734	D733-C737 WeakPolarHBondContact O-CB 3.39Å; D733-C737 PolarHBondContact O-N 3.23Å; D733-C737 PolarHBondContact O-SG 2.98Å; D733-C737 VanDerWaalsContact O-SG 3.36Å; V734-C737 PolarHBondContact O-N 3.37Å
738	L	43.9	Very low	52.6	Low	111.667 Å²	111.667	111.7 Å²	111.7	59%	0.585	64%	0.643	S	S	*	*	S	Bend	trans	-77.9	127.1	175.6	-80	168.8	0	0	0	111.3	V734 Q740	V734-L738 HydrophobicContact CG1-CD1 4.3Å; V734-L738 WeakPolarHBondContact O-CG 3.47Å; V734-L738 PolarHBondContact O-N 3.18Å; L738-Q740 PolarHBondContact O-N 3.16Å; L738-Q740 VanDerWaalsContact O-N 3.1Å
739	P	45.8	Very low	50.6	Low	119 Å²	119	110.4 Å²	110.4	77%	0.773	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-62.5	121.5	174.9	-6.2	12.2	0	0	0	110.9	P741	P739-P741 WeakPolarHBondContact O-CD 3.18Å; P739-P741 VanDerWaalsContact O-N 3.11Å
740	Q	35.9	Very low	48.7	Very low	166 Å²	166	110.9 Å²	110.9	78%	0.776	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-64.3	135.5	178.5	-69.6	-167.6	2.6	0	0	110.9	L738 L742	L738-Q740 PolarHBondContact O-N 3.16Å; L738-Q740 VanDerWaalsContact O-N 3.1Å; Q740-L742 PolarHBondContact O-N 3.08Å
741	P	36.7	Very low	46.7	Very low	109.333 Å²	109.333	109.6 Å²	109.6	71%	0.71	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-86.4	140.8	163.9	32.1	-30.4	0	0	0	111.3	P739 E743	P739-P741 WeakPolarHBondContact O-CD 3.18Å; P739-P741 VanDerWaalsContact O-N 3.11Å; P741-E743 PolarHBondContact O-N 2.96Å
742	L	34.4	Very low	45.3	Very low	162.333 Å²	162.333	109.2 Å²	109.2	85%	0.85	65%	0.65	S	S	*	*			trans	-85.4	115.6	161.1	-80.6	168.3	0	0	0	110.1	Q740 S744	Q740-L742 PolarHBondContact O-N 3.08Å; L742-S744 PolarHBondContact O-N 3.03Å; L742-S744 PolarHBondContact O-OG 3.47Å
743	E	31.1	Very low	43.7	Very low	162 Å²	162	109.9 Å²	109.9	76%	0.757	65%	0.645	S	S	*	*	S	Bend	trans	-70.2	92.2	-173.2	-60.9	177.9	118.9	0	0	112.3	R627 P741	R627-E743 IonicContact CZ-OE1 2.89Å; R627-E743 VanDerWaalsContact CZ-OE1 3.25Å; R627-E743 IonicContact CZ-OE2 2.74Å; R627-E743 IonicContact NH1-OE1 3.52Å; R627-E743 PolarHBondContact NH1-OE1 2.74Å; R627-E743 IonicContact NH1-OE2 3.38Å; R627-E743 PolarHBondContact NH1-OE2 3.17Å; R627-E743 IonicContact NH2-OE1 2.75Å; R627-E743 PolarHBondContact NH2-OE1 2.64Å; R627-E743 IonicContact NH2-OE2 3.42Å; R627-E743 PolarHBondContact NH2-OE2 3.17Å; P741-E743 PolarHBondContact O-N 2.96Å
744	S	32.1	Very low	42.4	Very low	105.667 Å²	105.667	109.9 Å²	109.9	74%	0.739	65%	0.651	S	S	*	*			trans	-155.6	26.4	173.9	50.8	0	0	0	0	113.8	L742	L742-S744 PolarHBondContact O-N 3.03Å; L742-S744 PolarHBondContact O-OG 3.47Å
745	S	31.9	Very low	41.1	Very low	101 Å²	101	113.7 Å²	113.7	71%	0.706	66%	0.656	S	S	*	*	S	Bend	trans	-137	64.6	169.7	55.5	0	0	0	0	112.9	S747	S745-S747 PolarHBondContact O-N 3.25Å; S745-S747 VanDerWaalsContact O-N 3.09Å
746	L	33.9	Very low	39.9	Very low	165 Å²	165	110 Å²	110	86%	0.864	64%	0.642	S	S	*	*			trans	-77.9	104.5	173.7	-80.7	166.8	0	0	0	111.8	L748	L746-L748 PolarHBondContact O-N 2.8Å; L746-L748 VanDerWaalsContact O-N 3.17Å
747	S	35.3	Very low	38.6	Very low	100.333 Å²	100.333	109.9 Å²	109.9	70%	0.702	63%	0.629	S	S	*	*			trans	-124.2	88.8	169.1	44.8	0	0	0	0	112.6	S745 V808	S745-S747 PolarHBondContact O-N 3.25Å; S745-S747 VanDerWaalsContact O-N 3.09Å; S747-V808 PolarHBondContact OG-O 2.82Å
748	L	36.4	Very low	37.8	Very low	142.333 Å²	142.333	107.7 Å²	107.7	75%	0.745	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-86.7	132.8	164.8	-72.9	169	0	0	0	109.1	L746 M760	L746-L748 PolarHBondContact O-N 2.8Å; L746-L748 VanDerWaalsContact O-N 3.17Å; L748-M760 HydrophobicContact CD1-CE 3.83Å; L748-M760 HydrophobicContact CD2-CE 4.27Å
749	P	36.3	Very low	37.7	Very low	86.6667 Å²	86.6667	105.3 Å²	105.3	56%	0.563	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-66.8	145.9	178.4	27.6	-33.9	0	0	0	110.9	A751 V756	P749-A751 PolarHBondContact O-N 3.43Å; P749-V756 HydrophobicContact CG-CG2 3.89Å
750	P	37.7	Very low	37.4	Very low	73.6667 Å²	73.6667	105.3 Å²	105.3	48%	0.478	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-62.5	129.4	-179.2	25.1	-33.8	0	0	0	111.1	N752 N753 W812	P750-N752 PolarHBondContact O-N 2.72Å; P750-N753 PolarHBondContact O-N 3.41Å; P750-W812 HydrophobicContact CB-CZ2 3.67Å; P750-W812 HydrophobicContact CG-CH2 4.42Å; P750-W812 HydrophobicContact CG-CZ2 3.74Å
751	A	33.2	Very low	37.6	Very low	65 Å²	65	103.4 Å²	103.4	54%	0.537	60%	0.601	S	S	.	*			trans	-73	73	-174.7	0	0	0	0	0	112.5	P749 N753	P749-A751 PolarHBondContact O-N 3.43Å; A751-N753 PolarHBondContact O-N 2.63Å
752	N	40.7	Very low	37.6	Very low	72.3333 Å²	72.3333	104.8 Å²	104.8	39%	0.387	60%	0.603	S	S	.	*			trans	-119.8	35.5	177.5	-79.3	-50.2	0	0	0	112.4	P750 P754 W812	P750-N752 PolarHBondContact O-N 2.72Å; N752-P754 WeakPolarHBondContact O-CD 3.43Å; N752-W812 HydrophobicContact CB-CD2 3.71Å; N752-W812 HydrophobicContact CB-CE3 3.39Å; N752-W812 HydrophobicContact CB-CG 4.42Å; N752-W812 HydrophobicContact CB-CH2 3.97Å; N752-W812 HydrophobicContact CB-CZ2 4.26Å; N752-W812 HydrophobicContact CB-CZ3 3.94Å; N752-W812 VanDerWaalsContact CG-CZ3 3.44Å; N752-W812 WeakPolarHBondContact ND2-CH2 3.47Å; N752-W812 WeakPolarHBondContact ND2-CZ3 3.47Å
753	N	40.4	Very low	37.6	Very low	71.6667 Å²	71.6667	101.4 Å²	101.4	38%	0.383	59%	0.593	S	S	.	*			trans	-102	107.6	166.4	-176.2	-14	0	0	0	109.1	P750 A751 R755 V756 L757	P750-N753 PolarHBondContact O-N 3.41Å; A751-N753 PolarHBondContact O-N 2.63Å; N753-R755 PolarHBondContact O-N 3.13Å; N753-R755 VanDerWaalsContact O-N 3.12Å; N753-R755 WeakPolarHBondContact OD1-CB 3.34Å; N753-R755 PolarHBondContact OD1-N 3.16Å; N753-V756 HydrophobicContact CB-CB 4.39Å; N753-V756 HydrophobicContact CB-CG2 4.08Å; N753-V756 PolarHBondContact O-N 3.25Å; N753-L757 PolarHBondContact O-N 2.91Å
754	P	44.1	Very low	37.7	Very low	94.3333 Å²	94.3333	98.6 Å²	98.6	61%	0.613	59%	0.591	S	S	*	*	H	α-helix	trans	-62.9	-16.4	-176.5	24.4	-33.6	0	0	0	113.9	N752 V756 L757 A758	N752-P754 WeakPolarHBondContact O-CD 3.43Å; P754-V756 VanDerWaalsContact C-N 3.31Å; P754-V756 PolarHBondContact O-N 3.27Å; P754-L757 PolarHBondContact O-N 2.88Å; P754-A758 WeakPolarHBondContact O-CB 3.43Å; P754-A758 PolarHBondContact O-N 2.96Å
755	R	39.4	Very low	37.6	Very low	164.667 Å²	164.667	101.5 Å²	101.5	62%	0.621	60%	0.597	S	S	*	*	H	α-helix	trans	-70.9	-21.3	172.1	-72.2	-178.7	158.3	168.6	-4.6	113.8	N753 A759 L790 E795	N753-R755 PolarHBondContact O-N 3.13Å; N753-R755 VanDerWaalsContact O-N 3.12Å; N753-R755 WeakPolarHBondContact OD1-CB 3.34Å; N753-R755 PolarHBondContact OD1-N 3.16Å; R755-A759 WeakPolarHBondContact O-CB 3.09Å; R755-A759 PolarHBondContact O-N 3.02Å; R755-L790 PolarHBondContact NH2-O 2.78Å; R755-E795 IonicContact CZ-OE1 3.96Å; R755-E795 IonicContact CZ-OE2 3.82Å; R755-E795 IonicContact NH1-OE1 3.78Å; R755-E795 PolarHBondContact NH1-OE1 2.75Å; R755-E795 IonicContact NH1-OE2 2.7Å; R755-E795 PolarHBondContact NH1-OE2 3.3Å
756	V	42.8	Very low	37.5	Very low	51.6667 Å²	51.6667	104 Å²	104	31%	0.313	60%	0.603	S	S	.	*	H	α-helix	trans	-81.3	-40.3	179.7	-179.3	0	0	0	0	111.1	P749 N753 P754 A759 M760	P749-V756 HydrophobicContact CG-CG2 3.89Å; N753-V756 HydrophobicContact CB-CB 4.39Å; N753-V756 HydrophobicContact CB-CG2 4.08Å; N753-V756 PolarHBondContact O-N 3.25Å; P754-V756 VanDerWaalsContact C-N 3.31Å; P754-V756 PolarHBondContact O-N 3.27Å; V756-A759 WeakPolarHBondContact O-CB 3.49Å; V756-A759 PolarHBondContact O-N 2.96Å; V756-A759 VanDerWaalsContact O-N 3.08Å; V756-M760 HydrophobicContact CG1-SD 4.2Å; V756-M760 WeakPolarHBondContact O-CG 3.39Å; V756-M760 PolarHBondContact O-N 3.17Å; V756-M760 VanDerWaalsContact O-N 3.16Å
757	L	39.9	Very low	37.4	Very low	80.6667 Å²	80.6667	103.6 Å²	103.6	42%	0.422	60%	0.6	S	S	.	*	H	α-helix	trans	-65	-47.1	176.8	-66	167.7	0	0	0	110.9	N753 P754 A759 M760 D761	N753-L757 PolarHBondContact O-N 2.91Å; P754-L757 PolarHBondContact O-N 2.88Å; L757-A759 PolarHBondContact O-N 3.29Å; L757-A759 VanDerWaalsContact O-N 3.11Å; L757-M760 PolarHBondContact O-N 3.28Å; L757-D761 PolarHBondContact O-N 3.12Å; L757-D761 VanDerWaalsContact O-N 3.1Å
758	A	42.5	Very low	37.3	Very low	55.6667 Å²	55.6667	103.7 Å²	103.7	46%	0.46	60%	0.601	S	S	.	*	H	α-helix	trans	-61.3	-17.1	174.2	0	0	0	0	0	114.4	P754 N762	P754-A758 WeakPolarHBondContact O-CB 3.43Å; P754-A758 PolarHBondContact O-N 2.96Å; A758-N762 PolarHBondContact O-ND2 3.12Å
759	A	42	Very low	37.1	Very low	62 Å²	62	102.4 Å²	102.4	51%	0.512	60%	0.604	S	S	.	*	H	α-helix	trans	-88.4	-17.6	173.7	0	0	0	0	0	113.4	R755 V756 L757 L790	R755-A759 WeakPolarHBondContact O-CB 3.09Å; R755-A759 PolarHBondContact O-N 3.02Å; V756-A759 WeakPolarHBondContact O-CB 3.49Å; V756-A759 PolarHBondContact O-N 2.96Å; V756-A759 VanDerWaalsContact O-N 3.08Å; L757-A759 PolarHBondContact O-N 3.29Å; L757-A759 VanDerWaalsContact O-N 3.11Å; A759-L790 HydrophobicContact CB-CD2 4.5Å
760	M	39.6	Very low	36.9	Very low	118.667 Å²	118.667	105.8 Å²	105.8	59%	0.585	62%	0.618	S	S	*	*	H	α-helix	trans	-92.4	-34.8	178.1	-67.3	179.8	99.6	0	0	112	L748 V756 L757 N762 S763	L748-M760 HydrophobicContact CD1-CE 3.83Å; L748-M760 HydrophobicContact CD2-CE 4.27Å; V756-M760 HydrophobicContact CG1-SD 4.2Å; V756-M760 WeakPolarHBondContact O-CG 3.39Å; V756-M760 PolarHBondContact O-N 3.17Å; V756-M760 VanDerWaalsContact O-N 3.16Å; L757-M760 PolarHBondContact O-N 3.28Å; M760-N762 VanDerWaalsContact C-N 3.31Å; M760-N762 PolarHBondContact O-N 3.11Å; M760-S763 PolarHBondContact O-N 3.18Å; M760-S763 PolarHBondContact O-OG 2.78Å
761	D	39.3	Very low	36.8	Very low	126.333 Å²	126.333	111.3 Å²	111.3	68%	0.676	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-8.7	-179.6	-64.6	-31.7	0	0	0	114.1	L757 S763	L757-D761 PolarHBondContact O-N 3.12Å; L757-D761 VanDerWaalsContact O-N 3.1Å; D761-S763 VanDerWaalsContact C-N 3.3Å; D761-S763 PolarHBondContact O-N 2.93Å
762	N	37.7	Very low	36.7	Very low	139.333 Å²	139.333	115.7 Å²	115.7	75%	0.745	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	9.5	-179.2	-79.5	-69.4	0	0	0	114.6	A758 M760	A758-N762 PolarHBondContact O-ND2 3.12Å; M760-N762 VanDerWaalsContact C-N 3.31Å; M760-N762 PolarHBondContact O-N 3.11Å
763	S	33.7	Very low	36.4	Very low	91 Å²	91	121 Å²	121	64%	0.636	68%	0.675	S	S	*	*	S	Bend	trans	-123.6	29.1	-178.1	61.1	0	0	0	0	114.8	M760 D761	M760-S763 PolarHBondContact O-N 3.18Å; M760-S763 PolarHBondContact O-OG 2.78Å; D761-S763 VanDerWaalsContact C-N 3.3Å; D761-S763 PolarHBondContact O-N 2.93Å
764	S	32	Very low	36.2	Very low	102.667 Å²	102.667	125 Å²	125	72%	0.718	69%	0.693	S	S	*	*	S	Bend	trans	-157.1	121.2	161.5	-74.7	0	0	0	0	112.2
765	L	30.4	Very low	35.9	Very low	166.333 Å²	166.333	126.2 Å²	126.2	87%	0.871	70%	0.701	S	S	*	*			trans	92.9	71.6	179.7	-60.8	179.8	0	0	0	115.8
766	N	29.9	Very low	35.6	Very low	154.667 Å²	154.667	129 Å²	129	83%	0.827	71%	0.712	S	S	*	*			trans	-161.3	111.7	138.2	-105.5	-37.7	0	0	0	111.2
767	L	31.5	Very low	35.3	Very low	154.667 Å²	154.667	133.8 Å²	133.8	81%	0.81	74%	0.736	S	S	*	*			trans	-148.9	92.8	162.4	-155.9	74.5	0	0	0	110.9
768	S	34.2	Very low	35	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	75%	0.75	S	S	*	*			trans	51.1	103.8	161.6	59.4	0	0	0	0	117.1	N770	S768-N770 PolarHBondContact O-N 3.41Å
769	S	30.8	Very low	34.9	Very low	116 Å²	116	137.7 Å²	137.7	81%	0.811	76%	0.757	S	S	*	*			trans	-66.2	132.3	164.7	-46.5	0	0	0	0	111.9
770	N	33.1	Very low	35.1	Very low	158.333 Å²	158.333	143.2 Å²	143.2	85%	0.847	77%	0.773	S	S	*	*			trans	-175.8	125.4	133.9	-98.6	-17.4	0	0	0	113.6	S768	S768-N770 PolarHBondContact O-N 3.41Å
771	Q	35.1	Very low	35.5	Very low	188.667 Å²	188.667	144 Å²	144	88%	0.882	78%	0.779	S	S	*	*			trans	92	94.7	163.7	-79.2	176.3	-8.6	0	0	113.9
772	L	31	Very low	36.1	Very low	157.333 Å²	157.333	142.5 Å²	142.5	82%	0.824	77%	0.771	S	S	*	*				-127.4	125.3	115.3	-86.5	164.5	0	0	0	111.3
773	M	35.6	Very low	36.8	Very low	182.333 Å²	182.333	138.6 Å²	138.6	90%	0.898	76%	0.758	S	S	*	*			trans	-155	136.2	157.2	-64.5	-159.7	119.2	0	0	112.2
774	M	35.2	Very low	37.6	Very low	156.667 Å²	156.667	140 Å²	140	77%	0.772	75%	0.754	S	S	*	*			trans	-102.9	154.9	176.7	-69.7	-72.6	151.2	0	0	109.6	R776	M774-R776 HydrophobicContact SD-CG 4.07Å
775	P	37.9	Very low	38.5	Very low	120 Å²	120	140.6 Å²	140.6	78%	0.779	75%	0.746	S	S	*	*				-93.4	145.2	118.2	0.6	13.3	0	0	0	112.1
776	R	33.5	Very low	39.6	Very low	222.667 Å²	222.667	139 Å²	139	84%	0.84	73%	0.734	S	S	*	*			trans	-51.2	120.4	135.2	-76.1	-179.9	173.1	172.6	-3.7	109.8	M774	M774-R776 HydrophobicContact SD-CG 4.07Å
777	D	36.7	Very low	40.8	Very low	152.667 Å²	152.667	140.2 Å²	140.2	82%	0.816	73%	0.727	S	S	*	*				-164.1	146.8	128.5	-90.9	-29.2	0	0	0	111.6
778	S	33.5	Very low	41.7	Very low	103.667 Å²	103.667	137.5 Å²	137.5	73%	0.725	71%	0.71	S	S	*	*	S	Bend	trans	21.1	108.9	171.1	58.4	0	0	0	0	120.1
779	N	41.3	Very low	42.4	Very low	113.667 Å²	113.667	137.6 Å²	137.6	61%	0.608	70%	0.699	S	S	*	*				174.3	79.3	121.2	-93.8	10.1	0	0	0	112.5	N781 D782	N779-N781 PolarHBondContact O-N 2.82Å; N779-D782 WeakPolarHBondContact CB-OD2 3.36Å; N779-D782 PolarHBondContact ND2-OD2 2.97Å
780	E	46.1	Very low	43.4	Very low	179 Å²	179	137.8 Å²	137.8	84%	0.836	69%	0.69	S	S	*	*	H	α-helix	trans	-79.9	-19.6	179.2	-64.6	-172.7	126	0	0	114.1	D782 A783 H784	E780-D782 VanDerWaalsContact C-N 3.29Å; E780-D782 PolarHBondContact O-N 2.87Å; E780-A783 PolarHBondContact O-N 3.04Å; E780-H784 PolarHBondContact O-N 2.92Å
781	N	47.6	Very low	44.2	Very low	135.667 Å²	135.667	137 Å²	137	73%	0.725	68%	0.681	S	S	*	*	H	α-helix	trans	-69.8	-36	-175.2	-66.9	-37.2	0	0	0	113.5	N779 A783 H784 H785	N779-N781 PolarHBondContact O-N 2.82Å; N781-A783 PolarHBondContact O-N 2.8Å; N781-H784 PolarHBondContact O-N 3.02Å; N781-H785 PolarHBondContact O-N 3.11Å
782	D	51.5	Low	44.7	Very low	94.6667 Å²	94.6667	136.6 Å²	136.6	51%	0.506	68%	0.677	S	S	.	*	H	α-helix	trans	-69.6	-37.1	-175	-61.5	-44.1	0	0	0	112.1	N779 E780 H784 H785 Q786	N779-D782 WeakPolarHBondContact CB-OD2 3.36Å; N779-D782 PolarHBondContact ND2-OD2 2.97Å; E780-D782 VanDerWaalsContact C-N 3.29Å; E780-D782 PolarHBondContact O-N 2.87Å; D782-H784 VanDerWaalsContact C-N 3.3Å; D782-H784 PolarHBondContact O-N 3.29Å; D782-H785 PolarHBondContact O-N 3.3Å; D782-H785 VanDerWaalsContact O-N 3.15Å; D782-Q786 WeakPolarHBondContact O-CB 3.29Å; D782-Q786 PolarHBondContact O-N 2.9Å; D782-Q786 VanDerWaalsContact O-N 3.08Å
783	A	51.6	Low	45.5	Very low	56.3333 Å²	56.3333	134.7 Å²	134.7	47%	0.466	67%	0.666	S	S	.	*	H	α-helix	trans	-63.2	-33.5	178.3	0	0	0	0	0	112.5	E780 N781 H785 Q786 R787	E780-A783 PolarHBondContact O-N 3.04Å; N781-A783 PolarHBondContact O-N 2.8Å; A783-H785 VanDerWaalsContact C-N 3.32Å; A783-Q786 PolarHBondContact O-N 3.42Å; A783-R787 WeakPolarHBondContact O-CG 3.37Å; A783-R787 PolarHBondContact O-N 3.33Å; A783-R787 VanDerWaalsContact O-N 3.13Å
784	H	52.1	Low	46.2	Very low	120.333 Å²	120.333	131.8 Å²	131.8	56%	0.557	65%	0.651	S	S	*	*	H	α-helix	trans	-73.8	-34.7	177	-145	-62.1	0	0	0	112	E780 N781 D782 Q788	E780-H784 PolarHBondContact O-N 2.92Å; N781-H784 PolarHBondContact O-N 3.02Å; D782-H784 VanDerWaalsContact C-N 3.3Å; D782-H784 PolarHBondContact O-N 3.29Å; H784-Q788 PolarHBondContact CE1-NE2 2.71Å; H784-Q788 PolarHBondContact ND1-NE2 2.97Å; H784-Q788 WeakPolarHBondContact O-CB 3.33Å; H784-Q788 WeakPolarHBondContact O-CG 3.43Å; H784-Q788 PolarHBondContact O-N 3.2Å
785	H	50.1	Low	47.2	Very low	116 Å²	116	131.7 Å²	131.7	54%	0.537	65%	0.648	S	S	.	*	H	α-helix	trans	-71.6	-40.7	175.8	-128.4	58.6	0	0	0	112	N781 D782 A783 R787 Q788 Q789	N781-H785 PolarHBondContact O-N 3.11Å; D782-H785 PolarHBondContact O-N 3.3Å; D782-H785 VanDerWaalsContact O-N 3.15Å; A783-H785 VanDerWaalsContact C-N 3.32Å; H785-R787 VanDerWaalsContact C-N 3.34Å; H785-R787 PolarHBondContact O-N 3.03Å; H785-Q788 PolarHBondContact O-N 3.07Å; H785-Q789 WeakPolarHBondContact O-CB 3.39Å; H785-Q789 VanDerWaalsContact O-CG 3.26Å; H785-Q789 WeakPolarHBondContact O-CG 3.43Å; H785-Q789 PolarHBondContact O-N 3.17Å
786	Q	52.5	Low	48.8	Very low	132 Å²	132	128.6 Å²	128.6	62%	0.617	63%	0.633	S	S	*	*	H	α-helix	trans	-65.5	-37.6	176	-99.9	178.9	2.6	0	0	112.4	D782 A783 Q789 L790	D782-Q786 WeakPolarHBondContact O-CB 3.29Å; D782-Q786 PolarHBondContact O-N 2.9Å; D782-Q786 VanDerWaalsContact O-N 3.08Å; A783-Q786 PolarHBondContact O-N 3.42Å; Q786-Q789 PolarHBondContact O-N 3.02Å; Q786-L790 WeakPolarHBondContact O-CB 3.35Å; Q786-L790 VanDerWaalsContact O-CD1 3.23Å; Q786-L790 WeakPolarHBondContact O-CD1 3.33Å; Q786-L790 PolarHBondContact O-N 3.17Å; Q786-L790 VanDerWaalsContact O-N 3.11Å
787	R	56.9	Low	51.3	Low	181.333 Å²	181.333	121.1 Å²	121.1	68%	0.684	60%	0.604	S	S	*	*	H	α-helix	trans	-61.4	-48.4	171.5	-77.3	-178.6	175.3	-136.1	0	112.1	A783 H785 Q789 L790 E791	A783-R787 WeakPolarHBondContact O-CG 3.37Å; A783-R787 PolarHBondContact O-N 3.33Å; A783-R787 VanDerWaalsContact O-N 3.13Å; H785-R787 VanDerWaalsContact C-N 3.34Å; H785-R787 PolarHBondContact O-N 3.03Å; R787-Q789 VanDerWaalsContact C-N 3.27Å; R787-Q789 PolarHBondContact O-N 3.05Å; R787-L790 CarbonylContact O-C 3.57Å; R787-L790 PolarHBondContact O-N 3.09Å; R787-L790 VanDerWaalsContact O-N 3.15Å; R787-E791 WeakPolarHBondContact O-CG 3.4Å; R787-E791 PolarHBondContact O-N 2.78Å
788	Q	50.4	Low	53.9	Low	96.6667 Å²	96.6667	119.5 Å²	119.5	45%	0.452	59%	0.588	S	S	.	*	H	α-helix	trans	-67.3	-22.3	178.2	-73.1	-179.9	-9.3	0	0	113.8	H784 H785 K792	H784-Q788 PolarHBondContact CE1-NE2 2.71Å; H784-Q788 PolarHBondContact ND1-NE2 2.97Å; H784-Q788 WeakPolarHBondContact O-CB 3.33Å; H784-Q788 WeakPolarHBondContact O-CG 3.43Å; H784-Q788 PolarHBondContact O-N 3.2Å; H785-Q788 PolarHBondContact O-N 3.07Å; Q788-K792 WeakPolarHBondContact O-CB 3.43Å; Q788-K792 WeakPolarHBondContact O-CG 3.49Å; Q788-K792 PolarHBondContact O-N 3.26Å
789	Q	48.3	Very low	56.8	Low	106.333 Å²	106.333	114.6 Å²	114.6	50%	0.497	55%	0.553	S	S	.	*	H	α-helix	trans	-78.4	-38.9	170.7	-73	176.9	10.8	0	0	111.9	H785 Q786 R787 E791 K792 I793	H785-Q789 WeakPolarHBondContact O-CB 3.39Å; H785-Q789 VanDerWaalsContact O-CG 3.26Å; H785-Q789 WeakPolarHBondContact O-CG 3.43Å; H785-Q789 PolarHBondContact O-N 3.17Å; Q786-Q789 PolarHBondContact O-N 3.02Å; R787-Q789 VanDerWaalsContact C-N 3.27Å; R787-Q789 PolarHBondContact O-N 3.05Å; Q789-E791 PolarHBondContact O-N 2.65Å; Q789-K792 CarbonylContact O-C 3.59Å; Q789-K792 WeakPolarHBondContact O-CA 3.43Å; Q789-K792 PolarHBondContact O-N 2.99Å; Q789-K792 VanDerWaalsContact O-N 3.09Å; Q789-I793 WeakPolarHBondContact O-CB 3.46Å; Q789-I793 WeakPolarHBondContact O-CD1 3.29Å; Q789-I793 WeakPolarHBondContact O-CG1 3.34Å; Q789-I793 PolarHBondContact O-N 3.43Å
790	L	51.5	Low	59.3	Low	120.333 Å²	120.333	111.2 Å²	111.2	63%	0.63	54%	0.538	S	S	*	.	H	α-helix	trans	-65.2	-32.4	171.5	-83.4	138.2	0	0	0	112.7	R755 A759 Q786 R787 K792 I793 E794	R755-L790 PolarHBondContact NH2-O 2.78Å; A759-L790 HydrophobicContact CB-CD2 4.5Å; Q786-L790 WeakPolarHBondContact O-CB 3.35Å; Q786-L790 VanDerWaalsContact O-CD1 3.23Å; Q786-L790 WeakPolarHBondContact O-CD1 3.33Å; Q786-L790 PolarHBondContact O-N 3.17Å; Q786-L790 VanDerWaalsContact O-N 3.11Å; R787-L790 CarbonylContact O-C 3.57Å; R787-L790 PolarHBondContact O-N 3.09Å; R787-L790 VanDerWaalsContact O-N 3.15Å; L790-K792 PolarHBondContact O-N 2.98Å; L790-I793 CarbonylContact O-C 3.52Å; L790-I793 WeakPolarHBondContact O-CA 3.48Å; L790-I793 PolarHBondContact O-N 3.02Å; L790-E794 PolarHBondContact O-N 3.38Å
791	E	50.3	Low	61.7	Low	140.667 Å²	140.667	106.2 Å²	106.2	66%	0.657	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-15.8	174.2	-70.7	173.8	159.6	0	0	113.5	R787 Q789	R787-E791 WeakPolarHBondContact O-CG 3.4Å; R787-E791 PolarHBondContact O-N 2.78Å; Q789-E791 PolarHBondContact O-N 2.65Å
792	K	44.3	Very low	64.1	Low	179.333 Å²	179.333	99.7 Å²	99.7	78%	0.78	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-4.1	179.2	-107.5	177.1	179.8	177	0	114.9	Q788 Q789 L790	Q788-K792 WeakPolarHBondContact O-CB 3.43Å; Q788-K792 WeakPolarHBondContact O-CG 3.49Å; Q788-K792 PolarHBondContact O-N 3.26Å; Q789-K792 CarbonylContact O-C 3.59Å; Q789-K792 WeakPolarHBondContact O-CA 3.43Å; Q789-K792 PolarHBondContact O-N 2.99Å; Q789-K792 VanDerWaalsContact O-N 3.09Å; L790-K792 PolarHBondContact O-N 2.98Å
793	I	47.8	Very low	66.3	Low	119 Å²	119	96.6 Å²	96.6	61%	0.61	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	34.6	175.7	-48	175.4	0	0	0	111.2	Q789 L790 E795	Q789-I793 WeakPolarHBondContact O-CB 3.46Å; Q789-I793 WeakPolarHBondContact O-CD1 3.29Å; Q789-I793 WeakPolarHBondContact O-CG1 3.34Å; Q789-I793 PolarHBondContact O-N 3.43Å; L790-I793 CarbonylContact O-C 3.52Å; L790-I793 WeakPolarHBondContact O-CA 3.48Å; L790-I793 PolarHBondContact O-N 3.02Å; I793-E795 HydrophobicContact CG2-CG 4.22Å; I793-E795 PolarHBondContact O-N 3.31Å
794	E	50.9	Low	68.4	Low	121.333 Å²	121.333	94.4 Å²	94.4	57%	0.567	44%	0.443	S	S	*	.			trans	-83.5	91.1	142.5	-81.3	-142.3	109.3	0	0	108.1	L790 A796 R797	L790-E794 PolarHBondContact O-N 3.38Å; E794-A796 PolarHBondContact O-N 2.81Å; E794-R797 VanDerWaalsContact CD-NH1 3.29Å; E794-R797 IonicContact OE1-CZ 3.32Å; E794-R797 IonicContact OE1-NE 3.52Å; E794-R797 IonicContact OE1-NH1 3.95Å; E794-R797 PolarHBondContact OE1-NH1 3Å; E794-R797 IonicContact OE1-NH2 2.85Å; E794-R797 PolarHBondContact OE1-NH2 2.93Å; E794-R797 IonicContact OE2-CZ 2.64Å; E794-R797 IonicContact OE2-NH1 3.96Å; E794-R797 PolarHBondContact OE2-NH1 3.11Å; E794-R797 IonicContact OE2-NH2 3.74Å; E794-R797 PolarHBondContact OE2-NH2 2.98Å
795	E	57.4	Low	70.3	Confident	153.667 Å²	153.667	89 Å²	89	72%	0.718	42%	0.419	S	S	*	.			trans	-54.3	121	169.2	-71.5	-176.7	136.4	0	0	108.7	R755 I793 R797	R755-E795 IonicContact CZ-OE1 3.96Å; R755-E795 IonicContact CZ-OE2 3.82Å; R755-E795 IonicContact NH1-OE1 3.78Å; R755-E795 PolarHBondContact NH1-OE1 2.75Å; R755-E795 IonicContact NH1-OE2 2.7Å; R755-E795 PolarHBondContact NH1-OE2 3.3Å; I793-E795 HydrophobicContact CG2-CG 4.22Å; I793-E795 PolarHBondContact O-N 3.31Å; E795-R797 PolarHBondContact O-N 3.18Å
796	A	70.9	Confident	72.2	Confident	55.3333 Å²	55.3333	90.8 Å²	90.8	46%	0.457	42%	0.421	S	S	.	.			trans	-58	108.4	-171.4	0	0	0	0	0	110.8	E794 Y798 S814	E794-A796 PolarHBondContact O-N 2.81Å; A796-Y798 HydrophobicContact CB-CE1 4.08Å; A796-Y798 HydrophobicContact CB-CE2 4.08Å; A796-Y798 WeakPolarHBondContact CB-OH 3.21Å; A796-Y798 WeakPolarHBondContact O-CD2 3.38Å; A796-Y798 WeakPolarHBondContact O-CE2 3.44Å; A796-S814 PolarHBondContact O-OG 2.91Å
797	R	86.3	Confident	74.2	Confident	65.3333 Å²	65.3333	87.9 Å²	87.9	25%	0.247	41%	0.405	C	S	.	.			trans	-70.7	130.1	-179.2	-71.5	174	-77.2	-143.4	-9.2	109.8	E794 E795 P799 P800 T811 W812 S814	E794-R797 VanDerWaalsContact CD-NH1 3.29Å; E794-R797 IonicContact OE1-CZ 3.32Å; E794-R797 IonicContact OE1-NE 3.52Å; E794-R797 IonicContact OE1-NH1 3.95Å; E794-R797 PolarHBondContact OE1-NH1 3Å; E794-R797 IonicContact OE1-NH2 2.85Å; E794-R797 PolarHBondContact OE1-NH2 2.93Å; E794-R797 IonicContact OE2-CZ 2.64Å; E794-R797 IonicContact OE2-NH1 3.96Å; E794-R797 PolarHBondContact OE2-NH1 3.11Å; E794-R797 IonicContact OE2-NH2 3.74Å; E794-R797 PolarHBondContact OE2-NH2 2.98Å; E795-R797 PolarHBondContact O-N 3.18Å; R797-P799 VanDerWaalsContact C-C 3.49Å; R797-P799 CarbonylContact C-O 3.49Å; R797-P799 CarbonylContact O-C 3.51Å; R797-P800 HydrophobicContact CB-CB 4.19Å; R797-P800 WeakPolarHBondContact O-CA 3.25Å; R797-P800 WeakPolarHBondContact O-CB 3.31Å; R797-P800 VanDerWaalsContact O-CD 3.31Å; R797-P800 WeakPolarHBondContact O-CD 3.4Å; R797-P800 VanDerWaalsContact O-N 3.07Å; R797-T811 VanDerWaalsContact CD-O 3.26Å; R797-T811 WeakPolarHBondContact CD-O 3.28Å; R797-T811 PolarHBondContact NE-O 3.39Å; R797-T811 PolarHBondContact NH1-O 2.81Å; R797-W812 WeakPolarHBondContact CD-O 3.23Å; R797-S814 WeakPolarHBondContact CA-OG 3.37Å
798	Y	91	Very high	76.1	Confident	119 Å²	119	82.6 Å²	82.6	47%	0.467	39%	0.392	S	S	.	.	S	Bend	trans	-122.1	107.9	-174.5	-64.5	-57	0	0	0	111.6	A796 S814 A815 A822	A796-Y798 HydrophobicContact CB-CE1 4.08Å; A796-Y798 HydrophobicContact CB-CE2 4.08Å; A796-Y798 WeakPolarHBondContact CB-OH 3.21Å; A796-Y798 WeakPolarHBondContact O-CD2 3.38Å; A796-Y798 WeakPolarHBondContact O-CE2 3.44Å; Y798-S814 PolarHBondContact N-OG 3.17Å; Y798-A815 PolarHBondContact O-N 3.3Å; Y798-A815 VanDerWaalsContact O-N 3.09Å; Y798-A822 CarbonylContact C-O 3.44Å; Y798-A822 VanDerWaalsContact CA-O 3.27Å; Y798-A822 WeakPolarHBondContact CA-O 3.34Å; Y798-A822 VanDerWaalsContact CB-O 3.3Å; Y798-A822 WeakPolarHBondContact CB-O 3.39Å; Y798-A822 WeakPolarHBondContact CD1-O 3.35Å
799	P	94.3	Very high	78.3	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	37%	0.373	C	S	.	.	S	Bend	cis	-67.7	161.7	-17.3	33.5	-38.1	0	0	0	112.1	R797 I802 T811 A822 L824 L827 L889	R797-P799 VanDerWaalsContact C-C 3.49Å; R797-P799 CarbonylContact C-O 3.49Å; R797-P799 CarbonylContact O-C 3.51Å; P799-I802 HydrophobicContact CG-CG2 4.14Å; P799-T811 WeakPolarHBondContact O-CB 3.38Å; P799-T811 VanDerWaalsContact O-CG2 3.3Å; P799-T811 WeakPolarHBondContact O-CG2 3.23Å; P799-T811 PolarHBondContact O-OG1 2.84Å; P799-A822 VanDerWaalsContact CA-O 3.31Å; P799-A822 WeakPolarHBondContact CA-O 3.35Å; P799-L824 WeakPolarHBondContact CB-O 3.44Å; P799-L827 HydrophobicContact CB-CB 4.18Å; P799-L827 HydrophobicContact CG-CB 3.98Å; P799-L827 HydrophobicContact CG-CD2 3.93Å; P799-L889 HydrophobicContact CG-CD2 4.41Å
800	P	94.2	Very high	80.6	Confident	43.3333 Å²	43.3333	76.1 Å²	76.1	28%	0.281	37%	0.366	S	S	.	.	S	Bend	trans	-85.3	-25.8	179.4	32.7	-31.8	0	0	0	112.9	R797 T810 T811 L824	R797-P800 HydrophobicContact CB-CB 4.19Å; R797-P800 WeakPolarHBondContact O-CA 3.25Å; R797-P800 WeakPolarHBondContact O-CB 3.31Å; R797-P800 VanDerWaalsContact O-CD 3.31Å; R797-P800 WeakPolarHBondContact O-CD 3.4Å; R797-P800 VanDerWaalsContact O-N 3.07Å; P800-T810 WeakPolarHBondContact O-CA 3.4Å; P800-T810 WeakPolarHBondContact O-CG2 3.45Å; P800-T811 WeakPolarHBondContact CA-OG1 3.34Å; P800-T811 PolarHBondContact O-N 2.98Å; P800-T811 PolarHBondContact O-OG1 3.28Å; P800-T811 VanDerWaalsContact O-OG1 3.1Å; P800-L824 VanDerWaalsContact CD-O 3.29Å; P800-L824 WeakPolarHBondContact CD-O 3.34Å
801	Q	96.3	Very high	82.7	Confident	73 Å²	73	70.4 Å²	70.4	34%	0.341	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	150.3	174.6	-57.4	-166	-52.2	0	0	112	I809 T810 L826 L827	Q801-I809 WeakPolarHBondContact CA-O 3.36Å; Q801-T810 PolarHBondContact NE2-OG1 3.21Å; Q801-T810 VanDerWaalsContact NE2-OG1 3.1Å; Q801-L826 HydrophobicContact CB-CD1 3.92Å; Q801-L826 WeakPolarHBondContact O-CA 3.29Å; Q801-L827 PolarHBondContact O-N 3.14Å
802	I	97.6	Very high	84.8	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	150.9	170.7	66	172.6	0	0	0	110.8	P799 V808 I809 T811 L826 L827 I829 L886 L889 F890	P799-I802 HydrophobicContact CG-CG2 4.14Å; I802-V808 CarbonylContact O-C 3.47Å; I802-V808 WeakPolarHBondContact O-CA 3.29Å; I802-I809 HydrophobicContact CD1-CB 4.46Å; I802-I809 HydrophobicContact CD1-CD1 4.46Å; I802-I809 HydrophobicContact CG1-CB 3.92Å; I802-I809 PolarHBondContact N-O 3.4Å; I802-I809 PolarHBondContact O-N 3.04Å; I802-T811 HydrophobicContact CG2-CG2 4Å; I802-L826 VanDerWaalsContact C-CD1 3.46Å; I802-L827 CarbonylContact C-O 3.51Å; I802-L827 WeakPolarHBondContact CA-O 3.36Å; I802-L827 HydrophobicContact CG2-CB 4.24Å; I802-I829 HydrophobicContact CB-CD1 4.18Å; I802-I829 HydrophobicContact CD1-CD1 4.16Å; I802-I829 HydrophobicContact CG2-CD1 4.05Å; I802-L886 HydrophobicContact CD1-CD1 3.55Å; I802-L889 HydrophobicContact CD1-CD1 4.14Å; I802-L889 HydrophobicContact CG2-CD1 3.65Å; I802-F890 HydrophobicContact CD1-CE2 4.06Å; I802-F890 HydrophobicContact CD1-CZ 3.91Å
803	Q	97.2	Very high	87.2	Confident	30.25 Å²	30.25	61.6 Å²	61.6	14%	0.141	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122	160	-177.9	175.9	-4.9	0	0	108.8	G805 Y807 V808 L826 L827 Y828 I829	Q803-G805 PolarHBondContact NE2-O 3.14Å; Q803-Y807 CarbonylContact C-O 3.55Å; Q803-Y807 WeakPolarHBondContact CA-O 3.34Å; Q803-V808 HydrophobicContact CB-CG2 4.37Å; Q803-V808 HydrophobicContact CG-CG2 4.32Å; Q803-L826 HydrophobicContact CB-CD1 4.2Å; Q803-L826 HydrophobicContact CB-CD2 4.49Å; Q803-L826 HydrophobicContact CB-CG 4.49Å; Q803-L827 PolarHBondContact N-O 2.94Å; Q803-Y828 HydrophobicContact CB-CD1 4.13Å; Q803-Y828 HydrophobicContact CB-CE1 4.42Å; Q803-Y828 HydrophobicContact CG-CD1 4.5Å; Q803-Y828 CarbonylContact O-C 3.56Å; Q803-Y828 VanDerWaalsContact OE1-CE1 3.25Å; Q803-I829 PolarHBondContact O-N 2.9Å
804	L	95.8	Very high	89.4	Confident	10 Å²	10	58.4 Å²	58.4	5%	0.052	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	103.9	176.9	-176.1	68.5	0	0	0	108.7	R806 Y807 I809 I829 E831 L834 L886 L964	L804-R806 PolarHBondContact O-N 3.08Å; L804-Y807 PolarHBondContact N-O 3.17Å; L804-Y807 PolarHBondContact O-N 3.02Å; L804-I809 HydrophobicContact CB-CD1 4.35Å; L804-I809 HydrophobicContact CD2-CD1 4.46Å; L804-I829 HydrophobicContact CD1-CB 3.92Å; L804-I829 HydrophobicContact CD1-CG2 3.68Å; L804-E831 HydrophobicContact CD1-CB 4.39Å; L804-E831 HydrophobicContact CG-CB 4.49Å; L804-L834 HydrophobicContact CD1-CD2 4.47Å; L804-L886 HydrophobicContact CD1-CD2 4.48Å; L804-L886 HydrophobicContact CD2-CD1 4.5Å; L804-L886 HydrophobicContact CD2-CD2 4.21Å; L804-L964 HydrophobicContact CD2-CD1 3.65Å; L804-L964 HydrophobicContact CD2-CD2 4.47Å
805	G	92	Very high	91.4	Very high	5.25 Å²	5.25	52.9 Å²	52.9	5%	0.054	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	-120	-172.9	0	0	0	0	0	111.7	Q803 E831 Y843	Q803-G805 PolarHBondContact NE2-O 3.14Å; G805-E831 VanDerWaalsContact CA-OE1 3.23Å; G805-E831 WeakPolarHBondContact CA-OE1 3.31Å; G805-Y843 WeakPolarHBondContact CA-OH 3.4Å; G805-Y843 PolarHBondContact N-OH 3.09Å; G805-Y843 PolarHBondContact O-OH 3.19Å
806	R	90.1	Very high	93.1	Very high	154.5 Å²	154.5	47.8 Å²	47.8	58%	0.583	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.6	176.5	72.2	-177.7	126.5	-158	-1.1	115.2	L804	L804-R806 PolarHBondContact O-N 3.08Å
807	Y	95.3	Very high	94.3	Very high	70.25 Å²	70.25	45.7 Å²	45.7	28%	0.275	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.9	-173.1	-59.3	-75.7	0	0	0	112	Q803 L804 P966 Y967	Q803-Y807 CarbonylContact C-O 3.55Å; Q803-Y807 WeakPolarHBondContact CA-O 3.34Å; L804-Y807 PolarHBondContact N-O 3.17Å; L804-Y807 PolarHBondContact O-N 3.02Å; Y807-P966 HydrophobicContact CD1-CB 3.64Å; Y807-P966 VanDerWaalsContact CD1-CB 3.49Å; Y807-P966 HydrophobicContact CD1-CG 3.94Å; Y807-P966 HydrophobicContact CD2-CB 4.21Å; Y807-P966 HydrophobicContact CD2-CG 4.02Å; Y807-P966 HydrophobicContact CE1-CB 3.62Å; Y807-P966 VanDerWaalsContact CE1-CB 3.46Å; Y807-P966 HydrophobicContact CE1-CG 4.32Å; Y807-P966 HydrophobicContact CE2-CB 4.19Å; Y807-P966 HydrophobicContact CE2-CG 4.32Å; Y807-P966 HydrophobicContact CG-CB 3.94Å; Y807-P966 HydrophobicContact CG-CG 3.78Å; Y807-Y967 HydrophobicContact CE2-CE1 4.42Å; Y807-Y967 HydrophobicContact CE2-CE2 4.4Å; Y807-Y967 AromaticContact CE2-CZ 3.93Å
808	V	96.2	Very high	94.6	Very high	70 Å²	70	44.5 Å²	44.5	42%	0.424	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.5	159.7	179.9	0	0	0	0	107.4	S747 I802 Q803 L826	S747-V808 PolarHBondContact OG-O 2.82Å; I802-V808 CarbonylContact O-C 3.47Å; I802-V808 WeakPolarHBondContact O-CA 3.29Å; Q803-V808 HydrophobicContact CB-CG2 4.37Å; Q803-V808 HydrophobicContact CG-CG2 4.32Å; V808-L826 HydrophobicContact CG1-CD1 4.02Å
809	I	96.1	Very high	94.6	Very high	11.5 Å²	11.5	42 Å²	42	6%	0.059	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	121.2	-170.1	-48.8	173.1	0	0	0	108.7	Q801 I802 L804 F890 P965 P966	Q801-I809 WeakPolarHBondContact CA-O 3.36Å; I802-I809 HydrophobicContact CD1-CB 4.46Å; I802-I809 HydrophobicContact CD1-CD1 4.46Å; I802-I809 HydrophobicContact CG1-CB 3.92Å; I802-I809 PolarHBondContact N-O 3.4Å; I802-I809 PolarHBondContact O-N 3.04Å; L804-I809 HydrophobicContact CB-CD1 4.35Å; L804-I809 HydrophobicContact CD2-CD1 4.46Å; I809-F890 HydrophobicContact CB-CZ 4.47Å; I809-F890 HydrophobicContact CG2-CE1 3.76Å; I809-F890 HydrophobicContact CG2-CZ 3.7Å; I809-P965 HydrophobicContact CG2-CB 4.07Å; I809-P965 HydrophobicContact CG2-CG 3.9Å; I809-P966 HydrophobicContact CD1-CG 3.91Å; I809-P966 HydrophobicContact CG1-CG 4.05Å
810	T	96.1	Very high	94.6	Very high	56 Å²	56	46 Å²	46	34%	0.344	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131.2	169	-56.7	0	0	0	0	109.6	P800 Q801	P800-T810 WeakPolarHBondContact O-CA 3.4Å; P800-T810 WeakPolarHBondContact O-CG2 3.45Å; Q801-T810 PolarHBondContact NE2-OG1 3.21Å; Q801-T810 VanDerWaalsContact NE2-OG1 3.1Å
811	T	96.1	Very high	94.6	Very high	0.5 Å²	0.5	46.6 Å²	46.6	0%	0.003	23%	0.233	C	C	.	.			trans	-76.2	156.6	-177.3	62	0	0	0	0	110.9	R797 P799 P800 I802 L889	R797-T811 VanDerWaalsContact CD-O 3.26Å; R797-T811 WeakPolarHBondContact CD-O 3.28Å; R797-T811 PolarHBondContact NE-O 3.39Å; R797-T811 PolarHBondContact NH1-O 2.81Å; P799-T811 WeakPolarHBondContact O-CB 3.38Å; P799-T811 VanDerWaalsContact O-CG2 3.3Å; P799-T811 WeakPolarHBondContact O-CG2 3.23Å; P799-T811 PolarHBondContact O-OG1 2.84Å; P800-T811 WeakPolarHBondContact CA-OG1 3.34Å; P800-T811 PolarHBondContact O-N 2.98Å; P800-T811 PolarHBondContact O-OG1 3.28Å; P800-T811 VanDerWaalsContact O-OG1 3.1Å; I802-T811 HydrophobicContact CG2-CG2 4Å; T811-L889 HydrophobicContact CG2-CB 4.17Å; T811-L889 HydrophobicContact CG2-CD1 4.02Å; T811-L889 HydrophobicContact CG2-CD2 3.88Å; T811-L889 HydrophobicContact CG2-CG 4.25Å
812	W	94.6	Very high	94.5	Very high	71.5 Å²	71.5	43.7 Å²	43.7	27%	0.271	22%	0.221	S	C	.	.	S	Bend	trans	-99.8	-39.4	177.5	-59.7	-10.2	0	0	0	111.2	P750 N752 R797 L889 F890 P965	P750-W812 HydrophobicContact CB-CZ2 3.67Å; P750-W812 HydrophobicContact CG-CH2 4.42Å; P750-W812 HydrophobicContact CG-CZ2 3.74Å; N752-W812 HydrophobicContact CB-CD2 3.71Å; N752-W812 HydrophobicContact CB-CE3 3.39Å; N752-W812 HydrophobicContact CB-CG 4.42Å; N752-W812 HydrophobicContact CB-CH2 3.97Å; N752-W812 HydrophobicContact CB-CZ2 4.26Å; N752-W812 HydrophobicContact CB-CZ3 3.94Å; N752-W812 VanDerWaalsContact CG-CZ3 3.44Å; N752-W812 WeakPolarHBondContact ND2-CH2 3.47Å; N752-W812 WeakPolarHBondContact ND2-CZ3 3.47Å; R797-W812 WeakPolarHBondContact CD-O 3.23Å; W812-L889 WeakPolarHBondContact CA-O 3.3Å; W812-L889 WeakPolarHBondContact CB-O 3.37Å; W812-L889 PolarHBondContact N-O 2.99Å; W812-F890 HydrophobicContact CB-CD1 4.48Å; W812-F890 AromaticContact CD2-CD1 3.8Å; W812-F890 HydrophobicContact CD2-CD1 4.01Å; W812-F890 HydrophobicContact CE3-CB 4.22Å; W812-F890 AromaticContact CE3-CD1 3.89Å; W812-F890 HydrophobicContact CE3-CD1 3.89Å; W812-F890 HydrophobicContact CE3-CG 4.34Å; W812-F890 AromaticContact CG-CD1 3.99Å; W812-F890 HydrophobicContact CG-CD1 4.05Å; W812-F890 HydrophobicContact CZ2-CD1 4.44Å; W812-F890 HydrophobicContact CZ3-CB 3.9Å; W812-F890 HydrophobicContact CZ3-CD1 4.24Å; W812-P965 HydrophobicContact CH2-CB 4.25Å; W812-P965 HydrophobicContact CH2-CG 3.75Å; W812-P965 HydrophobicContact CZ2-CB 3.82Å; W812-P965 HydrophobicContact CZ2-CG 4Å; W812-P965 VanDerWaalsContact CZ2-CG 3.5Å
813	Y	94.6	Very high	94.1	Very high	64 Å²	64	51.7 Å²	51.7	25%	0.251	25%	0.252	S	S	.	.	S	Bend	trans	-128	155.8	179.6	-49.4	-80.5	0	0	0	110.6	L889 F890 D892	Y813-L889 PolarHBondContact N-O 3.02Å; Y813-L889 WeakPolarHBondContact O-CA 3.3Å; Y813-F890 WeakPolarHBondContact CE2-O 3.41Å; Y813-D892 HydrophobicContact CD1-CB 4.01Å; Y813-D892 HydrophobicContact CD2-CB 4.34Å; Y813-D892 HydrophobicContact CE1-CB 3.62Å; Y813-D892 HydrophobicContact CE2-CB 4.15Å; Y813-D892 HydrophobicContact CG-CB 4.41Å
814	S	93.6	Very high	93.9	Very high	50.75 Å²	50.75	51.8 Å²	51.8	36%	0.355	25%	0.253	S	S	.	.			trans	-67.4	146.6	167.1	-67.3	0	0	0	0	111	A796 R797 Y798	A796-S814 PolarHBondContact O-OG 2.91Å; R797-S814 WeakPolarHBondContact CA-OG 3.37Å; Y798-S814 PolarHBondContact N-OG 3.17Å
815	A	93.7	Very high	93.8	Very high	7.5 Å²	7.5	57 Å²	57	6%	0.062	29%	0.285	C	S	.	.			trans	-128.1	148.4	174	0	0	0	0	0	111.1	Y798 Y817 K888 L889	Y798-A815 PolarHBondContact O-N 3.3Å; Y798-A815 VanDerWaalsContact O-N 3.09Å; A815-Y817 HydrophobicContact CB-CD2 3.83Å; A815-Y817 HydrophobicContact CB-CE2 3.79Å; A815-Y817 PolarHBondContact O-N 3.05Å; A815-K888 HydrophobicContact CB-CB 3.8Å; A815-K888 HydrophobicContact CB-CG 3.74Å; A815-L889 HydrophobicContact CB-CD2 3.43Å; A815-L889 VanDerWaalsContact CB-CD2 3.43Å; A815-L889 HydrophobicContact CB-CG 3.87Å
816	P	93.2	Very high	94	Very high	46.25 Å²	46.25	58.5 Å²	58.5	30%	0.3	29%	0.292	S	S	.	.			trans	-78.4	52.5	-173.7	32.7	-35.7	0	0	0	113	L885 Y897 Y898	P816-L885 HydrophobicContact CG-CD2 3.96Å; P816-Y897 HydrophobicContact CB-CE2 3.98Å; P816-Y897 HydrophobicContact CG-CD1 4.2Å; P816-Y897 HydrophobicContact CG-CD2 3.76Å; P816-Y897 HydrophobicContact CG-CE1 3.81Å; P816-Y897 HydrophobicContact CG-CE2 3.27Å; P816-Y897 HydrophobicContact CG-CG 4.2Å; P816-Y898 PolarHBondContact O-OH 3.09Å
817	Y	95.1	Very high	94.3	Very high	11.75 Å²	11.75	51.1 Å²	51.1	5%	0.046	26%	0.264	C	S	.	.			trans	-63.2	153.4	162	-72.3	-86.5	0	0	0	110	A815 L827 Y836 L885 L886 L889	A815-Y817 HydrophobicContact CB-CD2 3.83Å; A815-Y817 HydrophobicContact CB-CE2 3.79Å; A815-Y817 PolarHBondContact O-N 3.05Å; Y817-L827 HydrophobicContact CD1-CD2 3.89Å; Y817-L827 HydrophobicContact CD2-CD2 4.3Å; Y817-L827 HydrophobicContact CE1-CD2 3.8Å; Y817-L827 HydrophobicContact CE2-CD2 4.23Å; Y817-L827 HydrophobicContact CG-CD2 4.14Å; Y817-Y836 AromaticContact CD1-CD1 3.93Å; Y817-Y836 HydrophobicContact CD1-CD1 3.93Å; Y817-Y836 HydrophobicContact CD1-CD2 4.18Å; Y817-Y836 HydrophobicContact CD1-CE1 4.25Å; Y817-Y836 HydrophobicContact CD1-CE2 4.42Å; Y817-Y836 AromaticContact CD1-CG 3.88Å; Y817-Y836 HydrophobicContact CD1-CG 3.88Å; Y817-Y836 AromaticContact CE1-CD1 3.63Å; Y817-Y836 HydrophobicContact CE1-CD1 3.63Å; Y817-Y836 HydrophobicContact CE1-CD2 4.43Å; Y817-Y836 HydrophobicContact CE1-CE1 4.27Å; Y817-Y836 AromaticContact CE1-CG 3.76Å; Y817-Y836 HydrophobicContact CE1-CG 3.76Å; Y817-L885 HydrophobicContact CD1-CB 4.49Å; Y817-L885 HydrophobicContact CD1-CD1 4.34Å; Y817-L885 HydrophobicContact CE1-CB 3.95Å; Y817-L885 HydrophobicContact CE1-CD1 4.29Å; Y817-L885 HydrophobicContact CE2-CB 4.18Å; Y817-L885 VanDerWaalsContact OH-C 3.27Å; Y817-L885 PolarHBondContact OH-O 3.15Å; Y817-L886 WeakPolarHBondContact OH-CA 3.47Å; Y817-L886 PolarHBondContact OH-N 3.11Å; Y817-L889 HydrophobicContact CE2-CD1 3.95Å; Y817-L889 HydrophobicContact CE2-CD2 4.07Å; Y817-L889 HydrophobicContact CE2-CG 4.08Å
818	P	94.3	Very high	94.5	Very high	39.75 Å²	39.75	49.4 Å²	49.4	26%	0.258	26%	0.257	S	S	.	.			trans	-57.6	146.4	174.4	-20.6	31.9	0	0	0	111.4	E820 Y821 A822 Y836	P818-E820 VanDerWaalsContact C-OE2 3.28Å; P818-E820 VanDerWaalsContact CB-OE1 3.28Å; P818-E820 WeakPolarHBondContact CB-OE1 3.33Å; P818-E820 WeakPolarHBondContact CB-OE2 3.4Å; P818-E820 PolarHBondContact O-N 3.14Å; P818-Y821 HydrophobicContact CB-CD2 3.99Å; P818-Y821 HydrophobicContact CB-CE2 4.45Å; P818-Y821 HydrophobicContact CG-CD2 4.21Å; P818-Y821 HydrophobicContact CG-CE2 4.46Å; P818-Y821 WeakPolarHBondContact O-CA 3.38Å; P818-Y821 WeakPolarHBondContact O-CB 3.28Å; P818-Y821 PolarHBondContact O-N 3.13Å; P818-A822 PolarHBondContact O-N 2.9Å; P818-Y836 HydrophobicContact CG-CE2 4.33Å
819	S	91	Very high	94.5	Very high	66.75 Å²	66.75	46.1 Å²	46.1	47%	0.467	24%	0.237	S	C	.	.	H	α-helix	trans	-57.6	-26.6	-163.7	71.8	0	0	0	0	114.9	Y821 R823	S819-Y821 VanDerWaalsContact C-N 3.32Å; S819-Y821 PolarHBondContact O-N 3.08Å; S819-R823 WeakPolarHBondContact O-CB 3.42Å; S819-R823 VanDerWaalsContact O-CD 3.31Å; S819-R823 WeakPolarHBondContact O-CD 3.46Å; S819-R823 VanDerWaalsContact O-CG 3.3Å; S819-R823 WeakPolarHBondContact O-CG 3.35Å; S819-R823 PolarHBondContact O-N 3.11Å; S819-R823 PolarHBondContact O-NE 3.07Å; S819-R823 PolarHBondContact O-NH2 3.42Å; S819-R823 PolarHBondContact OG-NH2 2.89Å
820	E	93.1	Very high	94.6	Very high	84 Å²	84	45.7 Å²	45.7	39%	0.393	24%	0.235	S	C	.	.	H	α-helix	trans	-83.1	-6.2	179.6	71.8	-76.2	-177.9	0	0	114.1	P818 K838	P818-E820 VanDerWaalsContact C-OE2 3.28Å; P818-E820 VanDerWaalsContact CB-OE1 3.28Å; P818-E820 WeakPolarHBondContact CB-OE1 3.33Å; P818-E820 WeakPolarHBondContact CB-OE2 3.4Å; P818-E820 PolarHBondContact O-N 3.14Å; E820-K838 WeakPolarHBondContact O-CE 3.26Å; E820-K838 PolarHBondContact O-NZ 3.04Å
821	Y	95.1	Very high	94.5	Very high	55 Å²	55	44.8 Å²	44.8	22%	0.216	23%	0.227	C	C	.	.	H	α-helix	trans	-107.7	-40.9	167.8	-62.1	-89.9	0	0	0	111.3	P818 S819 R823 L824 L827 Y836 K838	P818-Y821 HydrophobicContact CB-CD2 3.99Å; P818-Y821 HydrophobicContact CB-CE2 4.45Å; P818-Y821 HydrophobicContact CG-CD2 4.21Å; P818-Y821 HydrophobicContact CG-CE2 4.46Å; P818-Y821 WeakPolarHBondContact O-CA 3.38Å; P818-Y821 WeakPolarHBondContact O-CB 3.28Å; P818-Y821 PolarHBondContact O-N 3.13Å; S819-Y821 VanDerWaalsContact C-N 3.32Å; S819-Y821 PolarHBondContact O-N 3.08Å; Y821-R823 VanDerWaalsContact C-N 3.27Å; Y821-R823 PolarHBondContact O-N 3.17Å; Y821-L824 HydrophobicContact CD1-CD1 4.39Å; Y821-L824 WeakPolarHBondContact O-CB 3.3Å; Y821-L824 VanDerWaalsContact O-CG 3.29Å; Y821-L824 WeakPolarHBondContact O-CG 3.27Å; Y821-L824 PolarHBondContact O-N 2.96Å; Y821-L824 VanDerWaalsContact O-N 3.1Å; Y821-L827 HydrophobicContact CD1-CD1 3.67Å; Y821-L827 HydrophobicContact CG-CD1 4.26Å; Y821-Y836 AromaticContact CD1-CD2 3.74Å; Y821-Y836 HydrophobicContact CD1-CD2 3.74Å; Y821-Y836 HydrophobicContact CD1-CE2 4.3Å; Y821-Y836 HydrophobicContact CD2-CD2 4.21Å; Y821-Y836 AromaticContact CD2-CE2 3.93Å; Y821-Y836 HydrophobicContact CD2-CE2 3.97Å; Y821-Y836 AromaticContact CE1-CD2 3.75Å; Y821-Y836 HydrophobicContact CE1-CD2 3.75Å; Y821-Y836 HydrophobicContact CE1-CE2 4.16Å; Y821-Y836 HydrophobicContact CE2-CD2 4.26Å; Y821-Y836 AromaticContact CE2-CE2 3.86Å; Y821-Y836 HydrophobicContact CE2-CE2 3.86Å; Y821-Y836 AromaticContact CG-CD2 3.96Å; Y821-Y836 HydrophobicContact CG-CD2 3.96Å; Y821-Y836 HydrophobicContact CG-CE2 4.19Å; Y821-Y836 AromaticContact CZ-CD2 3.98Å; Y821-Y836 AromaticContact CZ-CE2 3.94Å; Y821-K838 HydrophobicContact CD1-CB 4.17Å; Y821-K838 HydrophobicContact CD1-CD 4.46Å; Y821-K838 HydrophobicContact CD1-CG 3.55Å; Y821-K838 HydrophobicContact CE1-CB 3.92Å; Y821-K838 HydrophobicContact CE1-CD 4.16Å; Y821-K838 HydrophobicContact CE1-CG 3.3Å; Y821-K838 HydrophobicContact CG-CG 4.42Å
822	A	92.8	Very high	94.4	Very high	11.5 Å²	11.5	45.9 Å²	45.9	10%	0.095	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-27.7	-178.9	0	0	0	0	0	113.5	Y798 P799 P818	Y798-A822 CarbonylContact C-O 3.44Å; Y798-A822 VanDerWaalsContact CA-O 3.27Å; Y798-A822 WeakPolarHBondContact CA-O 3.34Å; Y798-A822 VanDerWaalsContact CB-O 3.3Å; Y798-A822 WeakPolarHBondContact CB-O 3.39Å; Y798-A822 WeakPolarHBondContact CD1-O 3.35Å; P799-A822 VanDerWaalsContact CA-O 3.31Å; P799-A822 WeakPolarHBondContact CA-O 3.35Å; P818-A822 PolarHBondContact O-N 2.9Å
823	R	90.6	Very high	94.5	Very high	168.75 Å²	168.75	43.1 Å²	43.1	64%	0.637	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	4.9	176.3	-67.4	176.1	-125.1	175.4	-4.1	114.8	S819 Y821	S819-R823 WeakPolarHBondContact O-CB 3.42Å; S819-R823 VanDerWaalsContact O-CD 3.31Å; S819-R823 WeakPolarHBondContact O-CD 3.46Å; S819-R823 VanDerWaalsContact O-CG 3.3Å; S819-R823 WeakPolarHBondContact O-CG 3.35Å; S819-R823 PolarHBondContact O-N 3.11Å; S819-R823 PolarHBondContact O-NE 3.07Å; S819-R823 PolarHBondContact O-NH2 3.42Å; S819-R823 PolarHBondContact OG-NH2 2.89Å; Y821-R823 VanDerWaalsContact C-N 3.27Å; Y821-R823 PolarHBondContact O-N 3.17Å
824	L	92.6	Very high	94.7	Very high	33.25 Å²	33.25	40.1 Å²	40.1	17%	0.174	21%	0.212	C	C	.	.			trans	-78.8	138.9	176.7	-59.4	175.1	0	0	0	109.9	P799 P800 Y821 L826 L827 K838	P799-L824 WeakPolarHBondContact CB-O 3.44Å; P800-L824 VanDerWaalsContact CD-O 3.29Å; P800-L824 WeakPolarHBondContact CD-O 3.34Å; Y821-L824 HydrophobicContact CD1-CD1 4.39Å; Y821-L824 WeakPolarHBondContact O-CB 3.3Å; Y821-L824 VanDerWaalsContact O-CG 3.29Å; Y821-L824 WeakPolarHBondContact O-CG 3.27Å; Y821-L824 PolarHBondContact O-N 2.96Å; Y821-L824 VanDerWaalsContact O-N 3.1Å; L824-L826 VanDerWaalsContact C-N 3.26Å; L824-L826 PolarHBondContact O-N 3.22Å; L824-L827 HydrophobicContact CD1-CD1 4.01Å; L824-K838 HydrophobicContact CD1-CB 3.99Å; L824-K838 HydrophobicContact CD1-CD 4.44Å; L824-K838 HydrophobicContact CD1-CG 3.86Å; L824-K838 HydrophobicContact CD2-CD 4.24Å; L824-K838 HydrophobicContact CD2-CG 3.98Å
825	T	93.9	Very high	94.8	Very high	118.25 Å²	118.25	42.6 Å²	42.6	73%	0.725	22%	0.216	S	C	*	.	S	Bend	trans	-62.5	-33.9	171.7	48.5	0	0	0	0	112.1
826	L	95.8	Very high	95	Very high	36.75 Å²	36.75	44.8 Å²	44.8	19%	0.192	22%	0.223	C	C	.	.	S	Bend	trans	-137.1	120.5	174.4	-176.9	64.2	0	0	0	110.4	Q801 I802 Q803 V808 L824 Y828	Q801-L826 HydrophobicContact CB-CD1 3.92Å; Q801-L826 WeakPolarHBondContact O-CA 3.29Å; I802-L826 VanDerWaalsContact C-CD1 3.46Å; Q803-L826 HydrophobicContact CB-CD1 4.2Å; Q803-L826 HydrophobicContact CB-CD2 4.49Å; Q803-L826 HydrophobicContact CB-CG 4.49Å; V808-L826 HydrophobicContact CG1-CD1 4.02Å; L824-L826 VanDerWaalsContact C-N 3.26Å; L824-L826 PolarHBondContact O-N 3.22Å; L826-Y828 HydrophobicContact CD2-CE1 4.21Å; L826-Y828 HydrophobicContact CD2-CE2 4.38Å; L826-Y828 HydrophobicContact CG-CE2 4.41Å
827	L	97.4	Very high	95.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124	173.7	178.6	65.3	0	0	0	110.6	P799 Q801 I802 Q803 Y817 Y821 L824 I829	P799-L827 HydrophobicContact CB-CB 4.18Å; P799-L827 HydrophobicContact CG-CB 3.98Å; P799-L827 HydrophobicContact CG-CD2 3.93Å; Q801-L827 PolarHBondContact O-N 3.14Å; I802-L827 CarbonylContact C-O 3.51Å; I802-L827 WeakPolarHBondContact CA-O 3.36Å; I802-L827 HydrophobicContact CG2-CB 4.24Å; Q803-L827 PolarHBondContact N-O 2.94Å; Y817-L827 HydrophobicContact CD1-CD2 3.89Å; Y817-L827 HydrophobicContact CD2-CD2 4.3Å; Y817-L827 HydrophobicContact CE1-CD2 3.8Å; Y817-L827 HydrophobicContact CE2-CD2 4.23Å; Y817-L827 HydrophobicContact CG-CD2 4.14Å; Y821-L827 HydrophobicContact CD1-CD1 3.67Å; Y821-L827 HydrophobicContact CG-CD1 4.26Å; L824-L827 HydrophobicContact CD1-CD1 4.01Å; L827-I829 HydrophobicContact CD2-CD1 4.3Å; L827-I829 HydrophobicContact CD2-CG1 4.44Å; L827-I829 HydrophobicContact CG-CG1 4.23Å
828	Y	97.8	Very high	95.2	Very high	34 Å²	34	46.8 Å²	46.8	13%	0.133	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.8	178.3	-59.4	-97.8	0	0	0	110.1	Q803 L826 Y836 I837 R840 Y843	Q803-Y828 HydrophobicContact CB-CD1 4.13Å; Q803-Y828 HydrophobicContact CB-CE1 4.42Å; Q803-Y828 HydrophobicContact CG-CD1 4.5Å; Q803-Y828 CarbonylContact O-C 3.56Å; Q803-Y828 VanDerWaalsContact OE1-CE1 3.25Å; L826-Y828 HydrophobicContact CD2-CE1 4.21Å; L826-Y828 HydrophobicContact CD2-CE2 4.38Å; L826-Y828 HydrophobicContact CG-CE2 4.41Å; Y828-Y836 CarbonylContact O-C 3.41Å; Y828-Y836 WeakPolarHBondContact O-CA 3.37Å; Y828-I837 WeakPolarHBondContact CB-O 3.36Å; Y828-I837 PolarHBondContact N-O 2.9Å; Y828-I837 VanDerWaalsContact N-O 3.09Å; Y828-I837 PolarHBondContact O-N 3.21Å; Y828-R840 HydrophobicContact CE1-CB 3.89Å; Y828-R840 HydrophobicContact CE1-CG 4.01Å; Y828-R840 HydrophobicContact CE2-CB 4.45Å; Y828-Y843 AromaticContact CD1-CD1 3.66Å; Y828-Y843 HydrophobicContact CD1-CD1 3.66Å; Y828-Y843 HydrophobicContact CD1-CD2 4.5Å; Y828-Y843 HydrophobicContact CD1-CE1 4.12Å; Y828-Y843 AromaticContact CD1-CG 3.92Å; Y828-Y843 HydrophobicContact CD1-CG 3.92Å; Y828-Y843 HydrophobicContact CE1-CD1 4.45Å; Y828-Y843 HydrophobicContact CG-CD1 4.35Å; Y828-Y843 HydrophobicContact CG-CG 4.15Å
829	I	97.7	Very high	95.2	Very high	0.5 Å²	0.5	48.1 Å²	48.1	0%	0.003	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.1	-178.6	-55.8	-177.7	0	0	0	109.1	I802 Q803 L804 L827 E831 L834 K835 Y843 L886	I802-I829 HydrophobicContact CB-CD1 4.18Å; I802-I829 HydrophobicContact CD1-CD1 4.16Å; I802-I829 HydrophobicContact CG2-CD1 4.05Å; Q803-I829 PolarHBondContact O-N 2.9Å; L804-I829 HydrophobicContact CD1-CB 3.92Å; L804-I829 HydrophobicContact CD1-CG2 3.68Å; L827-I829 HydrophobicContact CD2-CD1 4.3Å; L827-I829 HydrophobicContact CD2-CG1 4.44Å; L827-I829 HydrophobicContact CG-CG1 4.23Å; I829-E831 PolarHBondContact O-N 3.13Å; I829-L834 WeakPolarHBondContact CG2-O 3.21Å; I829-K835 WeakPolarHBondContact CA-O 3.23Å; I829-Y843 WeakPolarHBondContact O-CE2 3.33Å; I829-L886 HydrophobicContact CD1-CD1 4.08Å
830	C	96.8	Very high	95.4	Very high	2.25 Å²	2.25	50.9 Å²	50.9	2%	0.015	24%	0.235	C	C	.	.			trans	-65.8	126.6	175.2	-179.8	0	0	0	0	111	F832 C833 L834 K835 H846	C830-F832 VanDerWaalsContact C-N 3.31Å; C830-F832 PolarHBondContact O-N 3.15Å; C830-C833 VanDerWaalsContact SG-SG 3.63Å; C830-L834 WeakPolarHBondContact O-CA 3.4Å; C830-L834 PolarHBondContact O-N 3.14Å; C830-K835 PolarHBondContact N-O 3.2Å; C830-H846 VanDerWaalsContact CB-NE2 3.32Å; C830-H846 WeakPolarHBondContact CB-NE2 3.4Å; C830-H846 PolarHBondContact SG-NE2 3Å
831	E	94.2	Very high	95.5	Very high	37 Å²	37	52.1 Å²	52.1	17%	0.173	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-26.5	-177.5	66	-167.8	109	0	0	114.5	L804 G805 I829 H941	L804-E831 HydrophobicContact CD1-CB 4.39Å; L804-E831 HydrophobicContact CG-CB 4.49Å; G805-E831 VanDerWaalsContact CA-OE1 3.23Å; G805-E831 WeakPolarHBondContact CA-OE1 3.31Å; I829-E831 PolarHBondContact O-N 3.13Å; E831-H941 IonicContact OE2-CE1 3.53Å; E831-H941 IonicContact OE2-CG 3.54Å; E831-H941 IonicContact OE2-ND1 3.23Å; E831-H941 PolarHBondContact OE2-ND1 3.07Å
832	F	95.4	Very high	95.6	Very high	23.5 Å²	23.5	52.3 Å²	52.3	10%	0.103	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-43.5	-177.7	-54.8	-61.9	0	0	0	113.9	C830 Y852 S853 Y879 C939 H941	C830-F832 VanDerWaalsContact C-N 3.31Å; C830-F832 PolarHBondContact O-N 3.15Å; F832-Y852 WeakPolarHBondContact CB-O 3.36Å; F832-Y852 WeakPolarHBondContact CD2-O 3.44Å; F832-Y852 WeakPolarHBondContact CG-O 3.36Å; F832-S853 VanDerWaalsContact CD1-C 3.42Å; F832-S853 VanDerWaalsContact CD1-O 3.25Å; F832-S853 WeakPolarHBondContact CD1-O 3.3Å; F832-S853 WeakPolarHBondContact CE1-O 3.43Å; F832-Y879 WeakPolarHBondContact O-CE2 3.36Å; F832-C939 HydrophobicContact CE1-CB 3.92Å; F832-C939 HydrophobicContact CZ-CB 3.85Å; F832-H941 AromaticContact CE1-ND1 3.92Å; F832-H941 AromaticContact CZ-CE1 3.92Å; F832-H941 AromaticContact CZ-ND1 3.99Å
833	C	96	Very high	95.7	Very high	13.25 Å²	13.25	52.1 Å²	52.1	9%	0.09	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-2.7	-177.6	81.2	0	0	0	0	114.5	C830 K835 H846 Y852 Q882	C830-C833 VanDerWaalsContact SG-SG 3.63Å; C833-K835 PolarHBondContact O-N 3.02Å; C833-K835 VanDerWaalsContact O-N 3.12Å; C833-K835 VanDerWaalsContact SG-CB 3.54Å; C833-H846 PolarHBondContact SG-CE1 2.86Å; C833-H846 VanDerWaalsContact SG-CE1 3.53Å; C833-H846 PolarHBondContact SG-NE2 3.21Å; C833-Y852 HydrophobicContact CB-CD2 3.47Å; C833-Y852 VanDerWaalsContact CB-CD2 3.47Å; C833-Y852 HydrophobicContact CB-CE2 4.14Å; C833-Y852 HydrophobicContact CB-CG 4Å; C833-Q882 PolarHBondContact O-OE1 3.01Å; C833-Q882 VanDerWaalsContact O-OE1 3.09Å
834	L	97.6	Very high	95.9	Very high	2.25 Å²	2.25	47.3 Å²	47.3	1%	0.012	24%	0.235	C	C	.	.			trans	61.5	10.8	177.4	-49.2	-179.2	0	0	0	115.7	L804 I829 C830 Y836 Y879 Q882 L883 L886 L942	L804-L834 HydrophobicContact CD1-CD2 4.47Å; I829-L834 WeakPolarHBondContact CG2-O 3.21Å; C830-L834 WeakPolarHBondContact O-CA 3.4Å; C830-L834 PolarHBondContact O-N 3.14Å; L834-Y836 PolarHBondContact O-N 3.15Å; L834-Y879 HydrophobicContact CB-CD2 4.46Å; L834-Y879 HydrophobicContact CB-CE2 4.47Å; L834-Y879 HydrophobicContact CD1-CD2 4.08Å; L834-Y879 HydrophobicContact CD1-CE1 4.18Å; L834-Y879 HydrophobicContact CD1-CE2 3.53Å; L834-Y879 VanDerWaalsContact CD1-CE2 3.48Å; L834-Y879 HydrophobicContact CG-CD2 4.14Å; L834-Y879 HydrophobicContact CG-CE2 3.62Å; L834-Q882 HydrophobicContact CB-CB 3.76Å; L834-Q882 WeakPolarHBondContact O-CB 3.3Å; L834-Q882 PolarHBondContact O-OE1 3.35Å; L834-L883 HydrophobicContact CD1-CB 3.65Å; L834-L883 HydrophobicContact CD1-CD1 3.81Å; L834-L883 HydrophobicContact CD1-CG 4.26Å; L834-L886 HydrophobicContact CD2-CD2 4.04Å; L834-L942 HydrophobicContact CD1-CD2 4.26Å; L834-L942 HydrophobicContact CD2-CD2 3.75Å
835	K	96.8	Very high	96.1	Very high	103 Å²	103	51.3 Å²	51.3	45%	0.448	25%	0.247	S	C	.	.			trans	-63	121.5	173.9	-174.4	174.7	-177.7	174.2	0	111.4	I829 C830 C833 I837	I829-K835 WeakPolarHBondContact CA-O 3.23Å; C830-K835 PolarHBondContact N-O 3.2Å; C833-K835 PolarHBondContact O-N 3.02Å; C833-K835 VanDerWaalsContact O-N 3.12Å; C833-K835 VanDerWaalsContact SG-CB 3.54Å; K835-I837 HydrophobicContact CD-CD1 4.48Å; K835-I837 HydrophobicContact CG-CG1 4.29Å
836	Y	97.1	Very high	96.2	Very high	52.25 Å²	52.25	47.1 Å²	47.1	21%	0.205	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	141.8	173.9	57	-96.3	0	0	0	112.2	Y817 P818 Y821 Y828 L834 Q882 L885	Y817-Y836 AromaticContact CD1-CD1 3.93Å; Y817-Y836 HydrophobicContact CD1-CD1 3.93Å; Y817-Y836 HydrophobicContact CD1-CD2 4.18Å; Y817-Y836 HydrophobicContact CD1-CE1 4.25Å; Y817-Y836 HydrophobicContact CD1-CE2 4.42Å; Y817-Y836 AromaticContact CD1-CG 3.88Å; Y817-Y836 HydrophobicContact CD1-CG 3.88Å; Y817-Y836 AromaticContact CE1-CD1 3.63Å; Y817-Y836 HydrophobicContact CE1-CD1 3.63Å; Y817-Y836 HydrophobicContact CE1-CD2 4.43Å; Y817-Y836 HydrophobicContact CE1-CE1 4.27Å; Y817-Y836 AromaticContact CE1-CG 3.76Å; Y817-Y836 HydrophobicContact CE1-CG 3.76Å; P818-Y836 HydrophobicContact CG-CE2 4.33Å; Y821-Y836 AromaticContact CD1-CD2 3.74Å; Y821-Y836 HydrophobicContact CD1-CD2 3.74Å; Y821-Y836 HydrophobicContact CD1-CE2 4.3Å; Y821-Y836 HydrophobicContact CD2-CD2 4.21Å; Y821-Y836 AromaticContact CD2-CE2 3.93Å; Y821-Y836 HydrophobicContact CD2-CE2 3.97Å; Y821-Y836 AromaticContact CE1-CD2 3.75Å; Y821-Y836 HydrophobicContact CE1-CD2 3.75Å; Y821-Y836 HydrophobicContact CE1-CE2 4.16Å; Y821-Y836 HydrophobicContact CE2-CD2 4.26Å; Y821-Y836 AromaticContact CE2-CE2 3.86Å; Y821-Y836 HydrophobicContact CE2-CE2 3.86Å; Y821-Y836 AromaticContact CG-CD2 3.96Å; Y821-Y836 HydrophobicContact CG-CD2 3.96Å; Y821-Y836 HydrophobicContact CG-CE2 4.19Å; Y821-Y836 AromaticContact CZ-CD2 3.98Å; Y821-Y836 AromaticContact CZ-CE2 3.94Å; Y828-Y836 CarbonylContact O-C 3.41Å; Y828-Y836 WeakPolarHBondContact O-CA 3.37Å; L834-Y836 PolarHBondContact O-N 3.15Å; Y836-Q882 HydrophobicContact CD1-CG 4.26Å; Y836-Q882 HydrophobicContact CE1-CG 4.22Å; Y836-L885 HydrophobicContact CE1-CD1 4.1Å
837	I	97.4	Very high	96	Very high	6.25 Å²	6.25	48.3 Å²	48.3	3%	0.032	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	137.7	-165.1	-65.6	-177.7	0	0	0	110.9	Y828 K835 V842 Y843 H846	Y828-I837 WeakPolarHBondContact CB-O 3.36Å; Y828-I837 PolarHBondContact N-O 2.9Å; Y828-I837 VanDerWaalsContact N-O 3.09Å; Y828-I837 PolarHBondContact O-N 3.21Å; K835-I837 HydrophobicContact CD-CD1 4.48Å; K835-I837 HydrophobicContact CG-CG1 4.29Å; I837-V842 HydrophobicContact CD1-CG1 4.5Å; I837-V842 HydrophobicContact CG2-CB 3.67Å; I837-V842 HydrophobicContact CG2-CG1 3.62Å; I837-Y843 HydrophobicContact CD1-CD2 4.45Å; I837-H846 HydrophobicContact CD1-CB 3.59Å; I837-H846 VanDerWaalsContact CD1-CD2 3.44Å; I837-H846 WeakPolarHBondContact CD1-CD2 3.33Å
838	K	95.6	Very high	95.7	Very high	94.75 Å²	94.75	54.2 Å²	54.2	41%	0.412	25%	0.253	S	S	.	.	S	Bend	trans	-79.4	-28.7	-171.8	-164.1	165.9	-178.1	154.8	0	115.9	E820 Y821 L824	E820-K838 WeakPolarHBondContact O-CE 3.26Å; E820-K838 PolarHBondContact O-NZ 3.04Å; Y821-K838 HydrophobicContact CD1-CB 4.17Å; Y821-K838 HydrophobicContact CD1-CD 4.46Å; Y821-K838 HydrophobicContact CD1-CG 3.55Å; Y821-K838 HydrophobicContact CE1-CB 3.92Å; Y821-K838 HydrophobicContact CE1-CD 4.16Å; Y821-K838 HydrophobicContact CE1-CG 3.3Å; Y821-K838 HydrophobicContact CG-CG 4.42Å; L824-K838 HydrophobicContact CD1-CB 3.99Å; L824-K838 HydrophobicContact CD1-CD 4.44Å; L824-K838 HydrophobicContact CD1-CG 3.86Å; L824-K838 HydrophobicContact CD2-CD 4.24Å; L824-K838 HydrophobicContact CD2-CG 3.98Å
839	T	94.9	Very high	95.6	Very high	66 Å²	66	59.4 Å²	59.4	41%	0.405	28%	0.276	S	S	.	.			trans	-140.9	146.6	-173.6	64.6	0	0	0	0	112.6	N841 V842 Y843	T839-N841 VanDerWaalsContact C-N 3.28Å; T839-N841 PolarHBondContact O-N 3.12Å; T839-V842 PolarHBondContact O-N 2.93Å; T839-V842 VanDerWaalsContact O-N 3.09Å; T839-V842 VanDerWaalsContact OG1-CG2 3.32Å; T839-V842 WeakPolarHBondContact OG1-CG2 3.41Å; T839-Y843 PolarHBondContact O-N 3.13Å
840	R	95.2	Very high	95.3	Very high	126 Å²	126	60.4 Å²	60.4	48%	0.475	28%	0.283	S	S	.	.	H	α-helix	trans	-52.2	-41.3	179.2	-163.6	171.4	175.9	-167.5	-1.3	112.9	Y828 V842 Y843 L844	Y828-R840 HydrophobicContact CE1-CB 3.89Å; Y828-R840 HydrophobicContact CE1-CG 4.01Å; Y828-R840 HydrophobicContact CE2-CB 4.45Å; R840-V842 VanDerWaalsContact C-N 3.33Å; R840-V842 PolarHBondContact O-N 3.28Å; R840-Y843 WeakPolarHBondContact O-CB 3.33Å; R840-Y843 PolarHBondContact O-N 3.09Å; R840-Y843 VanDerWaalsContact O-N 3.14Å; R840-L844 HydrophobicContact CG-CD1 4.23Å; R840-L844 HydrophobicContact CG-CG 4.39Å; R840-L844 WeakPolarHBondContact O-CG 3.3Å; R840-L844 PolarHBondContact O-N 3.03Å
841	N	95.4	Very high	95.1	Very high	109.5 Å²	109.5	65.7 Å²	65.7	59%	0.586	32%	0.317	S	S	*	.	H	α-helix	trans	-70.9	-20.1	-179.6	-60.6	25.7	0	0	0	113.4	T839 R845	T839-N841 VanDerWaalsContact C-N 3.28Å; T839-N841 PolarHBondContact O-N 3.12Å; N841-R845 WeakPolarHBondContact O-CB 3.47Å; N841-R845 VanDerWaalsContact O-CG 3.27Å; N841-R845 WeakPolarHBondContact O-CG 3.39Å; N841-R845 PolarHBondContact O-N 3.31Å; N841-R845 PolarHBondContact O-NE 3.16Å
842	V	96.1	Very high	95	Very high	60 Å²	60	68.9 Å²	68.9	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-87.2	-33	169.7	178.4	0	0	0	0	110.4	I837 T839 R840 R845 H846	I837-V842 HydrophobicContact CD1-CG1 4.5Å; I837-V842 HydrophobicContact CG2-CB 3.67Å; I837-V842 HydrophobicContact CG2-CG1 3.62Å; T839-V842 PolarHBondContact O-N 2.93Å; T839-V842 VanDerWaalsContact O-N 3.09Å; T839-V842 VanDerWaalsContact OG1-CG2 3.32Å; T839-V842 WeakPolarHBondContact OG1-CG2 3.41Å; R840-V842 VanDerWaalsContact C-N 3.33Å; R840-V842 PolarHBondContact O-N 3.28Å; V842-R845 PolarHBondContact O-N 3.23Å; V842-H846 VanDerWaalsContact O-CB 3.23Å; V842-H846 WeakPolarHBondContact O-CB 3.37Å; V842-H846 PolarHBondContact O-N 3.22Å; V842-H846 VanDerWaalsContact O-N 3.09Å
843	Y	96.4	Very high	94.9	Very high	6.25 Å²	6.25	68.8 Å²	68.8	3%	0.025	33%	0.331	C	S	.	.	H	α-helix	trans	-65.6	-49.4	177.5	175.6	-117	0	0	0	112	G805 Y828 I829 I837 T839 R840 R845 H846 I847	G805-Y843 WeakPolarHBondContact CA-OH 3.4Å; G805-Y843 PolarHBondContact N-OH 3.09Å; G805-Y843 PolarHBondContact O-OH 3.19Å; Y828-Y843 AromaticContact CD1-CD1 3.66Å; Y828-Y843 HydrophobicContact CD1-CD1 3.66Å; Y828-Y843 HydrophobicContact CD1-CD2 4.5Å; Y828-Y843 HydrophobicContact CD1-CE1 4.12Å; Y828-Y843 AromaticContact CD1-CG 3.92Å; Y828-Y843 HydrophobicContact CD1-CG 3.92Å; Y828-Y843 HydrophobicContact CE1-CD1 4.45Å; Y828-Y843 HydrophobicContact CG-CD1 4.35Å; Y828-Y843 HydrophobicContact CG-CG 4.15Å; I829-Y843 WeakPolarHBondContact O-CE2 3.33Å; I837-Y843 HydrophobicContact CD1-CD2 4.45Å; T839-Y843 PolarHBondContact O-N 3.13Å; R840-Y843 WeakPolarHBondContact O-CB 3.33Å; R840-Y843 PolarHBondContact O-N 3.09Å; R840-Y843 VanDerWaalsContact O-N 3.14Å; Y843-R845 PolarHBondContact O-N 3.14Å; Y843-H846 WeakPolarHBondContact O-CA 3.45Å; Y843-H846 WeakPolarHBondContact O-CB 3.43Å; Y843-H846 PolarHBondContact O-N 3.18Å; Y843-H846 VanDerWaalsContact O-N 3.09Å; Y843-I847 HydrophobicContact CD1-CD1 3.99Å; Y843-I847 HydrophobicContact CD2-CD1 4.25Å; Y843-I847 HydrophobicContact CE1-CD1 3.68Å; Y843-I847 HydrophobicContact CE2-CD1 3.95Å; Y843-I847 HydrophobicContact CE2-CG1 4.41Å; Y843-I847 HydrophobicContact CG-CD1 4.28Å; Y843-I847 WeakPolarHBondContact O-CG1 3.43Å; Y843-I847 PolarHBondContact O-N 3.25Å
844	L	94.8	Very high	94.8	Very high	67.5 Å²	67.5	72.2 Å²	72.2	35%	0.353	34%	0.344	S	S	.	.	H	α-helix	trans	-58.3	-52.2	175.5	-65.7	171.2	0	0	0	111.5	R840 H846 I847 E848	R840-L844 HydrophobicContact CG-CD1 4.23Å; R840-L844 HydrophobicContact CG-CG 4.39Å; R840-L844 WeakPolarHBondContact O-CG 3.3Å; R840-L844 PolarHBondContact O-N 3.03Å; L844-H846 PolarHBondContact O-N 3.06Å; L844-H846 VanDerWaalsContact O-N 3.1Å; L844-I847 PolarHBondContact O-N 2.87Å; L844-E848 WeakPolarHBondContact O-CB 3.45Å; L844-E848 VanDerWaalsContact O-CG 3.26Å; L844-E848 WeakPolarHBondContact O-CG 3.41Å; L844-E848 PolarHBondContact O-N 3.27Å; L844-E848 VanDerWaalsContact O-N 3.1Å
845	R	96	Very high	94.7	Very high	118.25 Å²	118.25	72.3 Å²	72.3	45%	0.446	35%	0.345	S	S	.	.	H	α-helix	trans	-63.4	-11.9	175.6	-69.6	-173.2	-61.5	141.6	-3.8	114.8	N841 V842 Y843 E848 K849	N841-R845 WeakPolarHBondContact O-CB 3.47Å; N841-R845 VanDerWaalsContact O-CG 3.27Å; N841-R845 WeakPolarHBondContact O-CG 3.39Å; N841-R845 PolarHBondContact O-N 3.31Å; N841-R845 PolarHBondContact O-NE 3.16Å; V842-R845 PolarHBondContact O-N 3.23Å; Y843-R845 PolarHBondContact O-N 3.14Å; R845-E848 WeakPolarHBondContact CA-OE1 3.37Å; R845-E848 WeakPolarHBondContact CA-OE2 3.38Å; R845-E848 PolarHBondContact N-OE1 3.27Å; R845-K849 VanDerWaalsContact O-CD 3.28Å; R845-K849 WeakPolarHBondContact O-CD 3.45Å; R845-K849 WeakPolarHBondContact O-CG 3.43Å
846	H	95.8	Very high	94.6	Very high	30.5 Å²	30.5	68.4 Å²	68.4	14%	0.141	33%	0.33	C	S	.	.	H	α-helix	trans	-90.3	-43.2	171.6	169.1	46.5	0	0	0	111.3	C830 C833 I837 V842 Y843 L844 E848 K849 C850	C830-H846 VanDerWaalsContact CB-NE2 3.32Å; C830-H846 WeakPolarHBondContact CB-NE2 3.4Å; C830-H846 PolarHBondContact SG-NE2 3Å; C833-H846 PolarHBondContact SG-CE1 2.86Å; C833-H846 VanDerWaalsContact SG-CE1 3.53Å; C833-H846 PolarHBondContact SG-NE2 3.21Å; I837-H846 HydrophobicContact CD1-CB 3.59Å; I837-H846 VanDerWaalsContact CD1-CD2 3.44Å; I837-H846 WeakPolarHBondContact CD1-CD2 3.33Å; V842-H846 VanDerWaalsContact O-CB 3.23Å; V842-H846 WeakPolarHBondContact O-CB 3.37Å; V842-H846 PolarHBondContact O-N 3.22Å; V842-H846 VanDerWaalsContact O-N 3.09Å; Y843-H846 WeakPolarHBondContact O-CA 3.45Å; Y843-H846 WeakPolarHBondContact O-CB 3.43Å; Y843-H846 PolarHBondContact O-N 3.18Å; Y843-H846 VanDerWaalsContact O-N 3.09Å; L844-H846 PolarHBondContact O-N 3.06Å; L844-H846 VanDerWaalsContact O-N 3.1Å; H846-E848 VanDerWaalsContact C-N 3.33Å; H846-E848 PolarHBondContact O-N 3Å; H846-K849 CarbonylContact O-C 3.42Å; H846-K849 VanDerWaalsContact O-C 3.28Å; H846-K849 PolarHBondContact O-N 3.25Å; H846-C850 WeakPolarHBondContact O-CB 3.28Å; H846-C850 PolarHBondContact O-N 3.05Å
847	I	92.1	Very high	94.5	Very high	60.25 Å²	60.25	67.3 Å²	67.3	31%	0.309	33%	0.334	S	S	.	.	H	α-helix	trans	-57.5	-49	174.4	-65.9	161.8	0	0	0	110.1	Y843 L844 K849 C850	Y843-I847 HydrophobicContact CD1-CD1 3.99Å; Y843-I847 HydrophobicContact CD2-CD1 4.25Å; Y843-I847 HydrophobicContact CE1-CD1 3.68Å; Y843-I847 HydrophobicContact CE2-CD1 3.95Å; Y843-I847 HydrophobicContact CE2-CG1 4.41Å; Y843-I847 HydrophobicContact CG-CD1 4.28Å; Y843-I847 WeakPolarHBondContact O-CG1 3.43Å; Y843-I847 PolarHBondContact O-N 3.25Å; L844-I847 PolarHBondContact O-N 2.87Å; I847-K849 PolarHBondContact O-N 3.19Å; I847-C850 PolarHBondContact O-N 2.95Å; I847-C850 VanDerWaalsContact O-N 3.09Å
848	E	91.7	Very high	94.4	Very high	124 Å²	124	72.1 Å²	72.1	58%	0.579	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-17.5	173.5	-71.5	167.3	-163.5	0	0	114.8	L844 R845 H846	L844-E848 WeakPolarHBondContact O-CB 3.45Å; L844-E848 VanDerWaalsContact O-CG 3.26Å; L844-E848 WeakPolarHBondContact O-CG 3.41Å; L844-E848 PolarHBondContact O-N 3.27Å; L844-E848 VanDerWaalsContact O-N 3.1Å; R845-E848 WeakPolarHBondContact CA-OE1 3.37Å; R845-E848 WeakPolarHBondContact CA-OE2 3.38Å; R845-E848 PolarHBondContact N-OE1 3.27Å; H846-E848 VanDerWaalsContact C-N 3.33Å; H846-E848 PolarHBondContact O-N 3Å
849	K	93.8	Very high	94.5	Very high	144.5 Å²	144.5	71.1 Å²	71.1	63%	0.628	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.8	11.6	-169.7	-59.3	179.9	-171	177.8	0	112.6	R845 H846 I847 P851	R845-K849 VanDerWaalsContact O-CD 3.28Å; R845-K849 WeakPolarHBondContact O-CD 3.45Å; R845-K849 WeakPolarHBondContact O-CG 3.43Å; H846-K849 CarbonylContact O-C 3.42Å; H846-K849 VanDerWaalsContact O-C 3.28Å; H846-K849 PolarHBondContact O-N 3.25Å; I847-K849 PolarHBondContact O-N 3.19Å; K849-P851 WeakPolarHBondContact O-CD 3.43Å
850	C	93.3	Very high	94.6	Very high	21.75 Å²	21.75	68.2 Å²	68.2	15%	0.147	34%	0.339	C	S	.	.			trans	-81.3	121.2	-177.3	-169.2	0	0	0	0	109.2	H846 I847 Y852	H846-C850 WeakPolarHBondContact O-CB 3.28Å; H846-C850 PolarHBondContact O-N 3.05Å; I847-C850 PolarHBondContact O-N 2.95Å; I847-C850 VanDerWaalsContact O-N 3.09Å; C850-Y852 PolarHBondContact O-N 3.03Å; C850-Y852 VanDerWaalsContact O-N 3.17Å; C850-Y852 PolarHBondContact SG-O 3.36Å
851	P	91.7	Very high	94.8	Very high	113 Å²	113	62.4 Å²	62.4	73%	0.734	32%	0.317	S	S	*	.			trans	-80.7	3.9	178.2	35.3	-37	0	0	0	113	K849	K849-P851 WeakPolarHBondContact O-CD 3.43Å
852	Y	92.1	Very high	94.8	Very high	103.25 Å²	103.25	61.5 Å²	61.5	41%	0.405	31%	0.306	S	S	.	.			trans	-109.9	125.8	-179.3	-62.5	-78.9	0	0	0	110.3	F832 C833 C850 P856	F832-Y852 WeakPolarHBondContact CB-O 3.36Å; F832-Y852 WeakPolarHBondContact CD2-O 3.44Å; F832-Y852 WeakPolarHBondContact CG-O 3.36Å; C833-Y852 HydrophobicContact CB-CD2 3.47Å; C833-Y852 VanDerWaalsContact CB-CD2 3.47Å; C833-Y852 HydrophobicContact CB-CE2 4.14Å; C833-Y852 HydrophobicContact CB-CG 4Å; C850-Y852 PolarHBondContact O-N 3.03Å; C850-Y852 VanDerWaalsContact O-N 3.17Å; C850-Y852 PolarHBondContact SG-O 3.36Å; Y852-P856 HydrophobicContact CD1-CB 4.46Å; Y852-P856 HydrophobicContact CE1-CB 3.94Å
853	S	92.3	Very high	94.6	Very high	21.25 Å²	21.25	59.8 Å²	59.8	15%	0.149	30%	0.296	C	S	.	.	S	Bend	trans	-114.8	2.3	164.4	58.5	0	0	0	0	112.3	F832 E937 R938 F940	F832-S853 VanDerWaalsContact CD1-C 3.42Å; F832-S853 VanDerWaalsContact CD1-O 3.25Å; F832-S853 WeakPolarHBondContact CD1-O 3.3Å; F832-S853 WeakPolarHBondContact CE1-O 3.43Å; S853-E937 PolarHBondContact OG-OE1 2.95Å; S853-E937 VanDerWaalsContact OG-OE1 3.05Å; S853-R938 PolarHBondContact OG-O 3.08Å; S853-F940 PolarHBondContact O-N 2.99Å
854	F	93.8	Very high	94.4	Very high	86.25 Å²	86.25	65.5 Å²	65.5	38%	0.378	33%	0.327	S	S	.	.	S	Bend	trans	-154.5	162.1	-178.7	59.2	-85.7	0	0	0	111.8	F869 F940	F854-F869 HydrophobicContact CB-CE1 4.16Å; F854-F869 HydrophobicContact CB-CZ 3.88Å; F854-F869 HydrophobicContact CD2-CD1 4.43Å; F854-F869 AromaticContact CD2-CE1 3.72Å; F854-F869 HydrophobicContact CD2-CE1 3.72Å; F854-F869 HydrophobicContact CD2-CZ 4.29Å; F854-F869 HydrophobicContact CG-CE1 4.3Å; F854-F869 HydrophobicContact CG-CZ 4.42Å; F854-F940 HydrophobicContact CB-CB 3.91Å; F854-F940 HydrophobicContact CB-CD2 3.6Å; F854-F940 HydrophobicContact CB-CE2 4.23Å; F854-F940 HydrophobicContact CB-CG 3.93Å; F854-F940 HydrophobicContact CD1-CE2 4.49Å; F854-F940 HydrophobicContact CG-CD2 4.45Å; F854-F940 HydrophobicContact CG-CE2 4.42Å
855	P	96.8	Very high	94.2	Very high	3.25 Å²	3.25	65.7 Å²	65.7	2%	0.021	33%	0.328	C	S	.	.			trans	-59.9	141.1	176.8	-24.4	35	0	0	0	113.1	G857 F869 V871 Y879 V907 T909	P855-G857 VanDerWaalsContact C-N 3.3Å; P855-G857 PolarHBondContact O-N 3.06Å; P855-F869 HydrophobicContact CB-CB 3.94Å; P855-F869 HydrophobicContact CB-CD1 4.47Å; P855-F869 HydrophobicContact CB-CD2 4.39Å; P855-F869 HydrophobicContact CB-CG 4.03Å; P855-F869 HydrophobicContact CG-CB 4.22Å; P855-F869 HydrophobicContact CG-CD2 3.86Å; P855-F869 HydrophobicContact CG-CE2 4.42Å; P855-F869 HydrophobicContact CG-CG 4.02Å; P855-V871 HydrophobicContact CB-CG2 4.08Å; P855-Y879 HydrophobicContact CB-CE1 4.41Å; P855-V907 HydrophobicContact CB-CB 4.33Å; P855-V907 HydrophobicContact CB-CG1 4.18Å; P855-V907 HydrophobicContact CG-CB 4.23Å; P855-V907 HydrophobicContact CG-CG1 3.71Å; P855-T909 HydrophobicContact CG-CG2 3.65Å
856	P	95	Very high	94.2	Very high	22 Å²	22	60.5 Å²	60.5	14%	0.143	31%	0.31	C	S	.	.	S	Bend	trans	-77.5	75	-176.3	32.4	-36.1	0	0	0	112.4	Y852 V871 S876 Y879	Y852-P856 HydrophobicContact CD1-CB 4.46Å; Y852-P856 HydrophobicContact CE1-CB 3.94Å; P856-V871 HydrophobicContact CG-CG1 4.49Å; P856-V871 WeakPolarHBondContact O-CG1 3.29Å; P856-S876 PolarHBondContact O-OG 3.03Å; P856-Y879 VanDerWaalsContact CD-CD2 3.42Å; P856-Y879 HydrophobicContact CG-CD1 3.82Å; P856-Y879 HydrophobicContact CG-CD2 3.73Å; P856-Y879 HydrophobicContact CG-CE1 4.42Å; P856-Y879 HydrophobicContact CG-CE2 4.34Å; P856-Y879 HydrophobicContact CG-CG 3.42Å; P856-Y879 VanDerWaalsContact CG-CG 3.43Å
857	G	94.6	Very high	94.3	Very high	28 Å²	28	59.1 Å²	59.1	29%	0.289	30%	0.303	S	S	.	.	S	Bend	trans	-162.2	-168.4	-179.5	0	0	0	0	0	112.8	P855 E870	P855-G857 VanDerWaalsContact C-N 3.3Å; P855-G857 PolarHBondContact O-N 3.06Å; G857-E870 CarbonylContact C-O 3.51Å; G857-E870 VanDerWaalsContact CA-O 3.23Å; G857-E870 WeakPolarHBondContact CA-O 3.32Å
858	N	95.7	Very high	94.6	Very high	107.5 Å²	107.5	56.2 Å²	56.2	58%	0.575	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	131	177.6	-63.6	-40.7	0	0	0	110.3	I860 F869 E870	N858-I860 HydrophobicContact CB-CG2 4.05Å; N858-I860 PolarHBondContact O-N 3.09Å; N858-F869 CarbonylContact O-C 3.51Å; N858-F869 VanDerWaalsContact O-CA 3.22Å; N858-F869 WeakPolarHBondContact O-CA 3.38Å; N858-E870 PolarHBondContact N-O 3.11Å; N858-E870 PolarHBondContact O-N 2.91Å
859	E	97.1	Very high	94.9	Very high	73.75 Å²	73.75	50.5 Å²	50.5	35%	0.345	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	100.2	165.4	-179.1	170.3	-132.4	0	0	108.4	R862 S867 F869 R938 F940	E859-R862 VanDerWaalsContact CD-CD 3.48Å; E859-R862 HydrophobicContact CG-CB 4.39Å; E859-R862 VanDerWaalsContact OE1-CD 3.26Å; E859-R862 WeakPolarHBondContact OE1-CD 3.42Å; E859-R862 WeakPolarHBondContact OE1-CG 3.5Å; E859-R862 IonicContact OE1-CZ 3.68Å; E859-R862 IonicContact OE1-NE 3.88Å; E859-R862 IonicContact OE1-NH1 2.92Å; E859-R862 PolarHBondContact OE1-NH1 3.25Å; E859-R862 VanDerWaalsContact OE2-CD 3.25Å; E859-R862 WeakPolarHBondContact OE2-CD 3.48Å; E859-R862 IonicContact OE2-CZ 2.78Å; E859-R862 IonicContact OE2-NH1 3.17Å; E859-R862 PolarHBondContact OE2-NH1 3.31Å; E859-S867 VanDerWaalsContact OE1-CB 3.26Å; E859-S867 WeakPolarHBondContact OE1-CB 3.34Å; E859-S867 PolarHBondContact OE1-OG 3.02Å; E859-F869 HydrophobicContact CB-CD1 4.18Å; E859-F869 HydrophobicContact CB-CE1 3.81Å; E859-F869 HydrophobicContact CB-CZ 4.17Å; E859-F869 HydrophobicContact CG-CE1 4.46Å; E859-F869 HydrophobicContact CG-CZ 4.34Å; E859-R938 VanDerWaalsContact CD-NH2 3.29Å; E859-R938 IonicContact OE1-CZ 2.85Å; E859-R938 IonicContact OE1-NH2 2.64Å; E859-R938 PolarHBondContact OE1-NH2 3.28Å; E859-R938 IonicContact OE2-CZ 2.76Å; E859-R938 IonicContact OE2-NH1 3.84Å; E859-R938 PolarHBondContact OE2-NH1 2.94Å; E859-R938 IonicContact OE2-NH2 3.76Å; E859-R938 PolarHBondContact OE2-NH2 3.27Å; E859-F940 WeakPolarHBondContact OE1-CE1 3.43Å
860	I	97.4	Very high	95.1	Very high	5.25 Å²	5.25	44.8 Å²	44.8	3%	0.027	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-18.7	-176.3	61.4	156.3	0	0	0	112.9	N858 V868 E870 Y906 F979 L1121 R1122 W1123	N858-I860 HydrophobicContact CB-CG2 4.05Å; N858-I860 PolarHBondContact O-N 3.09Å; I860-V868 HydrophobicContact CG1-CB 4.45Å; I860-V868 WeakPolarHBondContact CG1-O 3.4Å; I860-V868 PolarHBondContact N-O 2.97Å; I860-E870 HydrophobicContact CD1-CB 4.19Å; I860-E870 HydrophobicContact CG1-CB 4.29Å; I860-E870 HydrophobicContact CG2-CB 3.66Å; I860-Y906 HydrophobicContact CD1-CD1 3.78Å; I860-Y906 HydrophobicContact CD1-CE1 3.82Å; I860-F979 HydrophobicContact CD1-CE1 3.98Å; I860-F979 HydrophobicContact CD1-CZ 3.82Å; I860-F979 HydrophobicContact CG1-CZ 4.38Å; I860-L1121 HydrophobicContact CD1-CD1 4.36Å; I860-L1121 CarbonylContact O-C 3.59Å; I860-L1121 WeakPolarHBondContact O-CD1 3.29Å; I860-R1122 PolarHBondContact O-N 3.34Å; I860-W1123 HydrophobicContact CB-CB 4.35Å; I860-W1123 HydrophobicContact CD1-CB 4.46Å; I860-W1123 HydrophobicContact CD1-CG 4.28Å
861	Y	98	Very high	95.3	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	139.2	176.4	174.8	-84.8	0	0	0	109.1	C863 S867 V868 F975 F979 I1116 D1117 C1120 L1121	Y861-C863 HydrophobicContact CE1-CB 3.64Å; Y861-C863 HydrophobicContact CE2-CB 4.41Å; Y861-C863 VanDerWaalsContact OH-CB 3.31Å; Y861-C863 WeakPolarHBondContact OH-CB 3.27Å; Y861-S867 CarbonylContact O-C 3.54Å; Y861-S867 VanDerWaalsContact O-CA 3.25Å; Y861-S867 WeakPolarHBondContact O-CA 3.36Å; Y861-V868 HydrophobicContact CD1-CG2 3.89Å; Y861-V868 HydrophobicContact CG-CG2 4.23Å; Y861-V868 PolarHBondContact N-O 3.07Å; Y861-V868 PolarHBondContact O-N 3.09Å; Y861-F975 HydrophobicContact CD1-CZ 4.33Å; Y861-F975 HydrophobicContact CE1-CE2 4.17Å; Y861-F975 AromaticContact CE1-CZ 3.86Å; Y861-F975 HydrophobicContact CE1-CZ 3.86Å; Y861-F979 HydrophobicContact CD1-CE2 4.45Å; Y861-F979 AromaticContact CD2-CE2 3.83Å; Y861-F979 HydrophobicContact CD2-CE2 3.83Å; Y861-F979 HydrophobicContact CE2-CE2 4.49Å; Y861-F979 AromaticContact CG-CE2 3.76Å; Y861-F979 HydrophobicContact CG-CE2 3.76Å; Y861-I1116 HydrophobicContact CE2-CG2 3.82Å; Y861-D1117 VanDerWaalsContact CE2-O 3.29Å; Y861-D1117 WeakPolarHBondContact CE2-O 3.39Å; Y861-D1117 PolarHBondContact OH-N 3.29Å; Y861-C1120 WeakPolarHBondContact CA-O 3.39Å; Y861-C1120 HydrophobicContact CD2-CB 3.99Å; Y861-C1120 HydrophobicContact CE2-CB 3.74Å; Y861-L1121 HydrophobicContact CD2-CB 4.39Å; Y861-L1121 HydrophobicContact CD2-CD1 4.44Å
862	R	95.4	Very high	95.6	Very high	91 Å²	91	40.3 Å²	40.3	34%	0.343	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	116.2	171.6	-178.8	177.4	-179.5	179	0.3	110.2	E859 I866 S867 H911 N913 R938 C1120	E859-R862 VanDerWaalsContact CD-CD 3.48Å; E859-R862 HydrophobicContact CG-CB 4.39Å; E859-R862 VanDerWaalsContact OE1-CD 3.26Å; E859-R862 WeakPolarHBondContact OE1-CD 3.42Å; E859-R862 WeakPolarHBondContact OE1-CG 3.5Å; E859-R862 IonicContact OE1-CZ 3.68Å; E859-R862 IonicContact OE1-NE 3.88Å; E859-R862 IonicContact OE1-NH1 2.92Å; E859-R862 PolarHBondContact OE1-NH1 3.25Å; E859-R862 VanDerWaalsContact OE2-CD 3.25Å; E859-R862 WeakPolarHBondContact OE2-CD 3.48Å; E859-R862 IonicContact OE2-CZ 2.78Å; E859-R862 IonicContact OE2-NH1 3.17Å; E859-R862 PolarHBondContact OE2-NH1 3.31Å; R862-I866 WeakPolarHBondContact CA-O 3.29Å; R862-S867 WeakPolarHBondContact CG-OG 3.36Å; R862-H911 PolarHBondContact NE-CE1 2.96Å; R862-H911 PolarHBondContact NE-NE2 3.06Å; R862-H911 PolarHBondContact NH1-NE2 3.43Å; R862-H911 PolarHBondContact NH2-CE1 3.01Å; R862-H911 VanDerWaalsContact NH2-CE1 3.31Å; R862-H911 PolarHBondContact NH2-NE2 3.41Å; R862-N913 PolarHBondContact NH2-OD1 3.42Å; R862-R938 VanDerWaalsContact CZ-NH2 3.26Å; R862-C1120 WeakPolarHBondContact O-CB 3.4Å; R862-C1120 PolarHBondContact O-SG 3.25Å; R862-C1120 VanDerWaalsContact O-SG 3.39Å
863	C	93.9	Very high	95.8	Very high	25 Å²	25	35.4 Å²	35.4	17%	0.169	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	133.6	174	-170.8	0	0	0	0	109.5	Y861 N865 I866 C1120	Y861-C863 HydrophobicContact CE1-CB 3.64Å; Y861-C863 HydrophobicContact CE2-CB 4.41Å; Y861-C863 VanDerWaalsContact OH-CB 3.31Å; Y861-C863 WeakPolarHBondContact OH-CB 3.27Å; C863-N865 PolarHBondContact O-N 3Å; C863-N865 VanDerWaalsContact O-N 3.1Å; C863-I866 PolarHBondContact N-O 3.08Å; C863-I866 PolarHBondContact O-N 2.99Å; C863-I866 VanDerWaalsContact O-O 3.09Å; C863-C1120 HydrophobicContact CB-CB 4.03Å
864	N	90.3	Very high	95.9	Very high	125.25 Å²	125.25	42 Å²	42	67%	0.67	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	-111.8	-175.3	-61.8	-37.5	0	0	0	112.6	I866 H911 N913	N864-I866 VanDerWaalsContact C-N 3.34Å; N864-H911 PolarHBondContact O-CE1 2.99Å; N864-H911 VanDerWaalsContact O-CE1 3.27Å; N864-N913 VanDerWaalsContact C-ND2 3.35Å; N864-N913 PolarHBondContact O-ND2 3.06Å; N864-N913 VanDerWaalsContact O-ND2 3.13Å
865	N	92.5	Very high	96	Very high	70.75 Å²	70.75	42.6 Å²	42.6	38%	0.378	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	7.3	179.4	64.8	-33.6	0	0	0	113.6	C863 I910 H911	C863-N865 PolarHBondContact O-N 3Å; C863-N865 VanDerWaalsContact O-N 3.1Å; N865-I910 CarbonylContact O-C 3.57Å; N865-I910 VanDerWaalsContact O-CA 3.3Å; N865-I910 WeakPolarHBondContact O-CA 3.34Å; N865-H911 WeakPolarHBondContact CB-O 3.31Å; N865-H911 PolarHBondContact O-N 3.28Å; N865-H911 PolarHBondContact O-ND1 3.13Å
866	I	95.4	Very high	96	Very high	10.75 Å²	10.75	43.5 Å²	43.5	6%	0.055	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130	-174.8	-63	171.5	0	0	0	110.1	R862 C863 N864 V908 T909 I910 Y972 F975 I1114	R862-I866 WeakPolarHBondContact CA-O 3.29Å; C863-I866 PolarHBondContact N-O 3.08Å; C863-I866 PolarHBondContact O-N 2.99Å; C863-I866 VanDerWaalsContact O-O 3.09Å; N864-I866 VanDerWaalsContact C-N 3.34Å; I866-V908 HydrophobicContact CG2-CG1 4.08Å; I866-T909 WeakPolarHBondContact CA-O 3.43Å; I866-I910 HydrophobicContact CG1-CG2 4.23Å; I866-Y972 HydrophobicContact CD1-CE1 4Å; I866-Y972 HydrophobicContact CG1-CE1 4.47Å; I866-F975 HydrophobicContact CG2-CE1 4.12Å; I866-F975 HydrophobicContact CG2-CE2 4.43Å; I866-F975 HydrophobicContact CG2-CZ 3.85Å; I866-I1114 HydrophobicContact CD1-CD1 4.05Å; I866-I1114 HydrophobicContact CD1-CG1 4.46Å; I866-I1114 HydrophobicContact CD1-CG2 3.59Å
867	S	97	Very high	96.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.8	172.8	-66.1	0	0	0	0	111.9	E859 Y861 R862 T909 H911 F940	E859-S867 VanDerWaalsContact OE1-CB 3.26Å; E859-S867 WeakPolarHBondContact OE1-CB 3.34Å; E859-S867 PolarHBondContact OE1-OG 3.02Å; Y861-S867 CarbonylContact O-C 3.54Å; Y861-S867 VanDerWaalsContact O-CA 3.25Å; Y861-S867 WeakPolarHBondContact O-CA 3.36Å; R862-S867 WeakPolarHBondContact CG-OG 3.36Å; S867-T909 PolarHBondContact N-O 3.36Å; S867-T909 PolarHBondContact O-N 3.15Å; S867-T909 PolarHBondContact O-OG1 3.07Å; S867-H911 PolarHBondContact OG-CD2 3.14Å; S867-H911 VanDerWaalsContact OG-CD2 3.26Å; S867-H911 PolarHBondContact OG-CE1 3.18Å; S867-H911 PolarHBondContact OG-ND1 2.82Å; S867-H911 PolarHBondContact OG-NE2 3.09Å; S867-F940 WeakPolarHBondContact OG-CE1 3.49Å
868	V	98.2	Very high	96.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.8	172.8	-165.1	0	0	0	0	109.8	I860 Y861 V907 V908 F975 F979	I860-V868 HydrophobicContact CG1-CB 4.45Å; I860-V868 WeakPolarHBondContact CG1-O 3.4Å; I860-V868 PolarHBondContact N-O 2.97Å; Y861-V868 HydrophobicContact CD1-CG2 3.89Å; Y861-V868 HydrophobicContact CG-CG2 4.23Å; Y861-V868 PolarHBondContact N-O 3.07Å; Y861-V868 PolarHBondContact O-N 3.09Å; V868-V907 WeakPolarHBondContact CA-O 3.35Å; V868-V908 HydrophobicContact CG1-CG2 4.23Å; V868-V908 HydrophobicContact CG2-CG2 4.09Å; V868-F975 HydrophobicContact CG2-CE1 3.87Å; V868-F975 HydrophobicContact CG2-CZ 4Å; V868-F979 HydrophobicContact CB-CE1 4.48Å; V868-F979 HydrophobicContact CB-CE2 4.22Å; V868-F979 HydrophobicContact CB-CZ 3.98Å; V868-F979 HydrophobicContact CG1-CE1 4.03Å; V868-F979 HydrophobicContact CG1-CE2 4.49Å; V868-F979 HydrophobicContact CG1-CZ 4.01Å; V868-F979 HydrophobicContact CG2-CD2 4.16Å; V868-F979 HydrophobicContact CG2-CE2 3.79Å; V868-F979 HydrophobicContact CG2-CZ 4.06Å
869	F	98.2	Very high	96.3	Very high	5 Å²	5	46.4 Å²	46.4	2%	0.022	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.7	178.1	-69.3	-99.6	0	0	0	111	F854 P855 N858 E859 V871 F905 Y906 V907 T909 F940	F854-F869 HydrophobicContact CB-CE1 4.16Å; F854-F869 HydrophobicContact CB-CZ 3.88Å; F854-F869 HydrophobicContact CD2-CD1 4.43Å; F854-F869 AromaticContact CD2-CE1 3.72Å; F854-F869 HydrophobicContact CD2-CE1 3.72Å; F854-F869 HydrophobicContact CD2-CZ 4.29Å; F854-F869 HydrophobicContact CG-CE1 4.3Å; F854-F869 HydrophobicContact CG-CZ 4.42Å; P855-F869 HydrophobicContact CB-CB 3.94Å; P855-F869 HydrophobicContact CB-CD1 4.47Å; P855-F869 HydrophobicContact CB-CD2 4.39Å; P855-F869 HydrophobicContact CB-CG 4.03Å; P855-F869 HydrophobicContact CG-CB 4.22Å; P855-F869 HydrophobicContact CG-CD2 3.86Å; P855-F869 HydrophobicContact CG-CE2 4.42Å; P855-F869 HydrophobicContact CG-CG 4.02Å; N858-F869 CarbonylContact O-C 3.51Å; N858-F869 VanDerWaalsContact O-CA 3.22Å; N858-F869 WeakPolarHBondContact O-CA 3.38Å; E859-F869 HydrophobicContact CB-CD1 4.18Å; E859-F869 HydrophobicContact CB-CE1 3.81Å; E859-F869 HydrophobicContact CB-CZ 4.17Å; E859-F869 HydrophobicContact CG-CE1 4.46Å; E859-F869 HydrophobicContact CG-CZ 4.34Å; F869-V871 HydrophobicContact CB-CG2 4.31Å; F869-F905 VanDerWaalsContact O-O 3.14Å; F869-Y906 WeakPolarHBondContact O-CA 3.34Å; F869-V907 HydrophobicContact CB-CB 4.4Å; F869-V907 PolarHBondContact N-O 2.91Å; F869-V907 PolarHBondContact O-N 3.06Å; F869-T909 HydrophobicContact CD2-CG2 4.16Å; F869-T909 HydrophobicContact CE2-CG2 4.3Å; F869-T909 WeakPolarHBondContact CE2-OG1 3.39Å; F869-F940 HydrophobicContact CE2-CB 4.32Å; F869-F940 AromaticContact CE2-CD1 3.61Å; F869-F940 HydrophobicContact CE2-CD1 3.61Å; F869-F940 AromaticContact CE2-CE1 3.76Å; F869-F940 HydrophobicContact CE2-CE1 4.04Å; F869-F940 HydrophobicContact CE2-CG 4.12Å; F869-F940 AromaticContact CZ-CD1 3.72Å; F869-F940 HydrophobicContact CZ-CD1 3.72Å; F869-F940 HydrophobicContact CZ-CD2 4.48Å; F869-F940 AromaticContact CZ-CE1 3.78Å; F869-F940 HydrophobicContact CZ-CE1 3.78Å; F869-F940 VanDerWaalsContact CZ-CE1 3.49Å; F869-F940 HydrophobicContact CZ-CE2 4.37Å; F869-F940 HydrophobicContact CZ-CG 4.08Å; F869-F940 AromaticContact CZ-CZ 3.84Å; F869-F940 HydrophobicContact CZ-CZ 4.22Å
870	E	98.3	Very high	96.3	Very high	23.25 Å²	23.25	42.9 Å²	42.9	11%	0.109	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115.1	167.2	-179.1	-175	-114.3	0	0	109.2	G857 N858 I860 Y906 W1123	G857-E870 CarbonylContact C-O 3.51Å; G857-E870 VanDerWaalsContact CA-O 3.23Å; G857-E870 WeakPolarHBondContact CA-O 3.32Å; N858-E870 PolarHBondContact N-O 3.11Å; N858-E870 PolarHBondContact O-N 2.91Å; I860-E870 HydrophobicContact CD1-CB 4.19Å; I860-E870 HydrophobicContact CG1-CB 4.29Å; I860-E870 HydrophobicContact CG2-CB 3.66Å; E870-Y906 HydrophobicContact CB-CD1 4.34Å; E870-Y906 HydrophobicContact CB-CE1 4.15Å; E870-Y906 HydrophobicContact CG-CD1 4.33Å; E870-Y906 HydrophobicContact CG-CE1 3.95Å; E870-Y906 WeakPolarHBondContact OE1-CE1 3.49Å; E870-Y906 VanDerWaalsContact OE1-CZ 3.3Å; E870-Y906 PolarHBondContact OE1-OH 2.75Å; E870-W1123 PolarHBondContact OE1-NE1 3.18Å
871	V	97.7	Very high	96.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	113.4	-179.2	-177.3	0	0	0	0	109.1	P855 P856 F869 Y879 C880 F905 V907	P855-V871 HydrophobicContact CB-CG2 4.08Å; P856-V871 HydrophobicContact CG-CG1 4.49Å; P856-V871 WeakPolarHBondContact O-CG1 3.29Å; F869-V871 HydrophobicContact CB-CG2 4.31Å; V871-Y879 HydrophobicContact CG1-CD1 4.02Å; V871-Y879 HydrophobicContact CG1-CE1 4.38Å; V871-Y879 HydrophobicContact CG2-CE1 4.45Å; V871-C880 VanDerWaalsContact CG1-SG 3.54Å; V871-F905 HydrophobicContact CB-CB 4.27Å; V871-F905 PolarHBondContact N-O 2.99Å; V871-F905 PolarHBondContact O-N 3.25Å; V871-V907 HydrophobicContact CB-CG2 4.49Å; V871-V907 HydrophobicContact CG2-CG2 3.95Å
872	D	97.1	Very high	96.3	Very high	40.25 Å²	40.25	45.1 Å²	45.1	22%	0.215	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.6	174.6	178.1	-11.7	0	0	0	110.4	Y874 T875 S876 L904 K950	D872-Y874 VanDerWaalsContact C-N 3.26Å; D872-Y874 PolarHBondContact O-N 2.96Å; D872-Y874 WeakPolarHBondContact OD1-CA 3.36Å; D872-Y874 VanDerWaalsContact OD1-CB 3.31Å; D872-Y874 WeakPolarHBondContact OD1-CB 3.41Å; D872-Y874 PolarHBondContact OD1-N 2.92Å; D872-T875 HydrophobicContact CB-CG2 4.21Å; D872-T875 PolarHBondContact O-N 3.22Å; D872-T875 VanDerWaalsContact O-N 3.1Å; D872-T875 PolarHBondContact O-OG1 3.14Å; D872-S876 PolarHBondContact O-N 3.02Å; D872-L904 HydrophobicContact CB-CD2 3.98Å; D872-K950 VanDerWaalsContact CG-NZ 3.31Å; D872-K950 WeakPolarHBondContact OD1-CE 3.31Å; D872-K950 IonicContact OD1-NZ 3.19Å; D872-K950 PolarHBondContact OD1-NZ 3.25Å; D872-K950 WeakPolarHBondContact OD2-CE 3.3Å; D872-K950 IonicContact OD2-NZ 3.3Å; D872-K950 PolarHBondContact OD2-NZ 3.02Å
873	G	96.5	Very high	96.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.6	178	0	0	0	0	0	116	R877 C880 V900 F903	G873-R877 WeakPolarHBondContact O-CA 3.39Å; G873-R877 WeakPolarHBondContact O-CB 3.4Å; G873-R877 PolarHBondContact O-N 3.09Å; G873-C880 VanDerWaalsContact CA-SG 3.58Å; G873-V900 WeakPolarHBondContact CA-O 3.33Å; G873-V900 WeakPolarHBondContact O-CG2 3.21Å; G873-F903 PolarHBondContact N-O 2.96Å; G873-F903 VanDerWaalsContact N-O 3.14Å
874	Y	95.3	Very high	96.6	Very high	159.75 Å²	159.75	39.8 Å²	39.8	63%	0.626	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-42.1	168.1	-178	-99	0	0	0	111.6	D872 E901	D872-Y874 VanDerWaalsContact C-N 3.26Å; D872-Y874 PolarHBondContact O-N 2.96Å; D872-Y874 WeakPolarHBondContact OD1-CA 3.36Å; D872-Y874 VanDerWaalsContact OD1-CB 3.31Å; D872-Y874 WeakPolarHBondContact OD1-CB 3.41Å; D872-Y874 PolarHBondContact OD1-N 2.92Å; Y874-E901 HydrophobicContact CD2-CB 4.21Å; Y874-E901 HydrophobicContact CD2-CG 4.11Å
875	T	95.9	Very high	96.9	Very high	100.75 Å²	100.75	34 Å²	34	62%	0.618	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-41.9	-179.3	65.8	0	0	0	0	112.5	D872	D872-T875 HydrophobicContact CB-CG2 4.21Å; D872-T875 PolarHBondContact O-N 3.22Å; D872-T875 VanDerWaalsContact O-N 3.1Å; D872-T875 PolarHBondContact O-OG1 3.14Å
876	S	96.4	Very high	97.2	Very high	22.25 Å²	22.25	30.7 Å²	30.7	16%	0.156	15%	0.148	C	C	.	.	S	Bend	trans	-109.6	35.2	-173.7	-72.6	0	0	0	0	112	P856 D872 L878 Y879 C880	P856-S876 PolarHBondContact O-OG 3.03Å; D872-S876 PolarHBondContact O-N 3.02Å; S876-L878 VanDerWaalsContact C-N 3.31Å; S876-L878 PolarHBondContact O-N 3.03Å; S876-L878 VanDerWaalsContact O-N 3.1Å; S876-Y879 WeakPolarHBondContact O-CB 3.24Å; S876-Y879 PolarHBondContact O-N 2.97Å; S876-C880 PolarHBondContact O-N 3.01Å; S876-C880 VanDerWaalsContact O-N 3.09Å
877	R	96.7	Very high	97.3	Very high	89.75 Å²	89.75	30.2 Å²	30.2	34%	0.339	15%	0.145	S	C	.	.	H	α-helix	trans	-43.4	-49.4	-171.3	-171.4	176.1	-176.5	155.6	10.1	114.1	G873 Y879 C880 Q881 Y898 D899 V900 E901	G873-R877 WeakPolarHBondContact O-CA 3.39Å; G873-R877 WeakPolarHBondContact O-CB 3.4Å; G873-R877 PolarHBondContact O-N 3.09Å; R877-Y879 VanDerWaalsContact C-N 3.35Å; R877-Y879 PolarHBondContact O-N 3.13Å; R877-C880 PolarHBondContact O-N 3.26Å; R877-Q881 HydrophobicContact CG-CG 4.3Å; R877-Q881 VanDerWaalsContact NE-NE2 3.16Å; R877-Q881 WeakPolarHBondContact O-CB 3.3Å; R877-Q881 VanDerWaalsContact O-CG 3.28Å; R877-Q881 WeakPolarHBondContact O-CG 3.42Å; R877-Q881 PolarHBondContact O-N 3.15Å; R877-Y898 PolarHBondContact NH2-O 2.87Å; R877-Y898 VanDerWaalsContact NH2-O 3.14Å; R877-D899 IonicContact NH2-OD1 3.44Å; R877-D899 PolarHBondContact NH2-OD1 3.37Å; R877-D899 VanDerWaalsContact NH2-OD1 3.11Å; R877-V900 HydrophobicContact CB-CG2 4.42Å; R877-V900 HydrophobicContact CG-CG2 3.74Å; R877-E901 WeakPolarHBondContact CD-OE1 3.42Å; R877-E901 IonicContact CZ-OE1 3.46Å; R877-E901 IonicContact CZ-OE2 2.63Å; R877-E901 IonicContact NE-OE1 3.23Å; R877-E901 IonicContact NE-OE2 2.61Å; R877-E901 PolarHBondContact NE-OE2 2.85Å; R877-E901 VanDerWaalsContact NH1-CD 3.32Å; R877-E901 IonicContact NH1-OE1 3.39Å; R877-E901 PolarHBondContact NH1-OE1 2.99Å; R877-E901 IonicContact NH1-OE2 3.82Å; R877-E901 IonicContact NH2-OE1 2.84Å; R877-E901 PolarHBondContact NH2-OE1 2.92Å; R877-E901 IonicContact NH2-OE2 3.79Å; R877-E901 PolarHBondContact NH2-OE2 2.96Å
878	L	96.6	Very high	97.2	Very high	115.5 Å²	115.5	31.5 Å²	31.5	61%	0.605	15%	0.151	S	C	*	.	H	α-helix	trans	-61	-43.5	-178.4	-179.6	62.1	0	0	0	112.8	S876 Q881 Q882	S876-L878 VanDerWaalsContact C-N 3.31Å; S876-L878 PolarHBondContact O-N 3.03Å; S876-L878 VanDerWaalsContact O-N 3.1Å; L878-Q881 PolarHBondContact O-N 3.1Å; L878-Q882 VanDerWaalsContact CD1-NE2 3.26Å; L878-Q882 WeakPolarHBondContact O-CB 3.43Å; L878-Q882 VanDerWaalsContact O-CG 3.28Å; L878-Q882 WeakPolarHBondContact O-CG 3.42Å; L878-Q882 PolarHBondContact O-N 3.14Å; L878-Q882 VanDerWaalsContact O-N 3.09Å; L878-Q882 PolarHBondContact O-OE1 3.12Å
879	Y	97.9	Very high	97.1	Very high	12.5 Å²	12.5	31.5 Å²	31.5	5%	0.049	15%	0.151	C	C	.	.	H	α-helix	trans	-67.1	-44.5	177.9	175.4	-89.5	0	0	0	110.9	F832 L834 P855 P856 V871 S876 R877 Q881 Q882 L883 V907	F832-Y879 WeakPolarHBondContact O-CE2 3.36Å; L834-Y879 HydrophobicContact CB-CD2 4.46Å; L834-Y879 HydrophobicContact CB-CE2 4.47Å; L834-Y879 HydrophobicContact CD1-CD2 4.08Å; L834-Y879 HydrophobicContact CD1-CE1 4.18Å; L834-Y879 HydrophobicContact CD1-CE2 3.53Å; L834-Y879 VanDerWaalsContact CD1-CE2 3.48Å; L834-Y879 HydrophobicContact CG-CD2 4.14Å; L834-Y879 HydrophobicContact CG-CE2 3.62Å; P855-Y879 HydrophobicContact CB-CE1 4.41Å; P856-Y879 VanDerWaalsContact CD-CD2 3.42Å; P856-Y879 HydrophobicContact CG-CD1 3.82Å; P856-Y879 HydrophobicContact CG-CD2 3.73Å; P856-Y879 HydrophobicContact CG-CE1 4.42Å; P856-Y879 HydrophobicContact CG-CE2 4.34Å; P856-Y879 HydrophobicContact CG-CG 3.42Å; P856-Y879 VanDerWaalsContact CG-CG 3.43Å; V871-Y879 HydrophobicContact CG1-CD1 4.02Å; V871-Y879 HydrophobicContact CG1-CE1 4.38Å; V871-Y879 HydrophobicContact CG2-CE1 4.45Å; S876-Y879 WeakPolarHBondContact O-CB 3.24Å; S876-Y879 PolarHBondContact O-N 2.97Å; R877-Y879 VanDerWaalsContact C-N 3.35Å; R877-Y879 PolarHBondContact O-N 3.13Å; Y879-Q881 VanDerWaalsContact C-N 3.33Å; Y879-Q881 PolarHBondContact O-N 3.24Å; Y879-Q882 CarbonylContact O-C 3.58Å; Y879-Q882 PolarHBondContact O-N 3.11Å; Y879-Q882 VanDerWaalsContact O-N 3.12Å; Y879-L883 HydrophobicContact CE1-CD2 4.16Å; Y879-L883 WeakPolarHBondContact O-CB 3.35Å; Y879-L883 PolarHBondContact O-N 3.07Å; Y879-V907 HydrophobicContact CE1-CG2 4.36Å
880	C	98.1	Very high	97	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.4	-36	179.2	-65.3	0	0	0	0	112.5	V871 G873 S876 R877 Q882 L883 C884 V900 F905	V871-C880 VanDerWaalsContact CG1-SG 3.54Å; G873-C880 VanDerWaalsContact CA-SG 3.58Å; S876-C880 PolarHBondContact O-N 3.01Å; S876-C880 VanDerWaalsContact O-N 3.09Å; R877-C880 PolarHBondContact O-N 3.26Å; C880-Q882 VanDerWaalsContact C-N 3.35Å; C880-L883 PolarHBondContact O-N 3.03Å; C880-C884 WeakPolarHBondContact O-CB 3.38Å; C880-C884 PolarHBondContact O-N 3.21Å; C880-C884 PolarHBondContact O-SG 2.96Å; C880-V900 HydrophobicContact CB-CB 3.89Å; C880-V900 HydrophobicContact CB-CG1 4.19Å; C880-V900 HydrophobicContact CB-CG2 3.85Å; C880-F905 HydrophobicContact CB-CD2 3.98Å; C880-F905 HydrophobicContact CB-CE1 4.42Å; C880-F905 HydrophobicContact CB-CE2 3.62Å; C880-F905 HydrophobicContact CB-CZ 3.92Å; C880-F905 WeakPolarHBondContact SG-CD2 3.4Å
881	Q	97.6	Very high	96.8	Very high	38 Å²	38	31.6 Å²	31.6	18%	0.178	15%	0.152	C	C	.	.	H	α-helix	trans	-63.2	-42.4	171.2	-72.6	178.1	-26.6	0	0	111.7	R877 L878 Y879 C884 L885 Y897 Y898 V900	R877-Q881 HydrophobicContact CG-CG 4.3Å; R877-Q881 VanDerWaalsContact NE-NE2 3.16Å; R877-Q881 WeakPolarHBondContact O-CB 3.3Å; R877-Q881 VanDerWaalsContact O-CG 3.28Å; R877-Q881 WeakPolarHBondContact O-CG 3.42Å; R877-Q881 PolarHBondContact O-N 3.15Å; L878-Q881 PolarHBondContact O-N 3.1Å; Y879-Q881 VanDerWaalsContact C-N 3.33Å; Y879-Q881 PolarHBondContact O-N 3.24Å; Q881-C884 WeakPolarHBondContact O-CB 3.45Å; Q881-C884 PolarHBondContact O-N 3.03Å; Q881-L885 WeakPolarHBondContact O-CG 3.29Å; Q881-L885 PolarHBondContact O-N 3.01Å; Q881-Y897 WeakPolarHBondContact CA-O 3.4Å; Q881-Y898 HydrophobicContact CG-CD1 4.48Å; Q881-Y898 PolarHBondContact NE2-O 2.97Å; Q881-V900 HydrophobicContact CG-CG1 4.12Å; Q881-V900 HydrophobicContact CG-CG2 3.83Å
882	Q	97.6	Very high	96.5	Very high	17.5 Å²	17.5	34.6 Å²	34.6	8%	0.082	17%	0.168	C	C	.	.	H	α-helix	trans	-68	-39.4	177.4	-74.1	168.1	-9.2	0	0	112.3	C833 L834 Y836 L878 Y879 C880 C884 L885 L886	C833-Q882 PolarHBondContact O-OE1 3.01Å; C833-Q882 VanDerWaalsContact O-OE1 3.09Å; L834-Q882 HydrophobicContact CB-CB 3.76Å; L834-Q882 WeakPolarHBondContact O-CB 3.3Å; L834-Q882 PolarHBondContact O-OE1 3.35Å; Y836-Q882 HydrophobicContact CD1-CG 4.26Å; Y836-Q882 HydrophobicContact CE1-CG 4.22Å; L878-Q882 VanDerWaalsContact CD1-NE2 3.26Å; L878-Q882 WeakPolarHBondContact O-CB 3.43Å; L878-Q882 VanDerWaalsContact O-CG 3.28Å; L878-Q882 WeakPolarHBondContact O-CG 3.42Å; L878-Q882 PolarHBondContact O-N 3.14Å; L878-Q882 VanDerWaalsContact O-N 3.09Å; L878-Q882 PolarHBondContact O-OE1 3.12Å; Y879-Q882 CarbonylContact O-C 3.58Å; Y879-Q882 PolarHBondContact O-N 3.11Å; Y879-Q882 VanDerWaalsContact O-N 3.12Å; C880-Q882 VanDerWaalsContact C-N 3.35Å; Q882-C884 VanDerWaalsContact C-N 3.34Å; Q882-C884 PolarHBondContact O-N 3.45Å; Q882-L885 PolarHBondContact O-N 3.05Å; Q882-L886 WeakPolarHBondContact O-CB 3.32Å; Q882-L886 PolarHBondContact O-N 3.03Å
883	L	98	Very high	96	Very high	2.75 Å²	2.75	37.9 Å²	37.9	1%	0.014	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-41.3	170.6	-177.1	57.4	0	0	0	111.7	L834 Y879 C880 L886 A887 F905 V907 L942 Y945	L834-L883 HydrophobicContact CD1-CB 3.65Å; L834-L883 HydrophobicContact CD1-CD1 3.81Å; L834-L883 HydrophobicContact CD1-CG 4.26Å; Y879-L883 HydrophobicContact CE1-CD2 4.16Å; Y879-L883 WeakPolarHBondContact O-CB 3.35Å; Y879-L883 PolarHBondContact O-N 3.07Å; C880-L883 PolarHBondContact O-N 3.03Å; L883-L886 PolarHBondContact O-N 3.12Å; L883-A887 VanDerWaalsContact O-CB 3.26Å; L883-A887 WeakPolarHBondContact O-CB 3.28Å; L883-A887 PolarHBondContact O-N 3.16Å; L883-F905 HydrophobicContact CD2-CB 4.4Å; L883-F905 HydrophobicContact CD2-CD1 3.85Å; L883-F905 HydrophobicContact CD2-CG 4.42Å; L883-V907 HydrophobicContact CD2-CG2 4.08Å; L883-L942 HydrophobicContact CD1-CD2 4.13Å; L883-Y945 HydrophobicContact CD1-CD1 3.8Å; L883-Y945 HydrophobicContact CD1-CE1 4.07Å; L883-Y945 HydrophobicContact CD1-CG 4.22Å; L883-Y945 HydrophobicContact CD2-CD1 4.29Å; L883-Y945 HydrophobicContact CD2-CD2 3.91Å; L883-Y945 HydrophobicContact CD2-CE2 4.33Å; L883-Y945 HydrophobicContact CD2-CG 3.9Å; L883-Y945 HydrophobicContact CG-CD1 4.14Å; L883-Y945 HydrophobicContact CG-CD2 4.39Å; L883-Y945 HydrophobicContact CG-CE1 4.18Å; L883-Y945 HydrophobicContact CG-CE2 4.45Å; L883-Y945 HydrophobicContact CG-CG 4.26Å
884	C	97.7	Very high	95.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	19%	0.185	C	C	.	.	H	α-helix	trans	-66.5	-40.8	176.1	-75.5	0	0	0	0	113.3	C880 Q881 Q882 A887 K888 K894 V900	C880-C884 WeakPolarHBondContact O-CB 3.38Å; C880-C884 PolarHBondContact O-N 3.21Å; C880-C884 PolarHBondContact O-SG 2.96Å; Q881-C884 WeakPolarHBondContact O-CB 3.45Å; Q881-C884 PolarHBondContact O-N 3.03Å; Q882-C884 VanDerWaalsContact C-N 3.34Å; Q882-C884 PolarHBondContact O-N 3.45Å; C884-A887 PolarHBondContact O-N 3.13Å; C884-K888 PolarHBondContact O-N 3.09Å; C884-K894 WeakPolarHBondContact SG-CE 3.4Å; C884-K894 PolarHBondContact SG-NZ 3.13Å; C884-K894 VanDerWaalsContact SG-NZ 3.41Å; C884-V900 HydrophobicContact CB-CG1 4.5Å
885	L	97	Very high	95.2	Very high	3.5 Å²	3.5	36.1 Å²	36.1	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-66.1	-40.8	174.7	-73.9	171.6	0	0	0	111.9	P816 Y817 Y836 Q881 Q882 A887 K888 Y897 Y898	P816-L885 HydrophobicContact CG-CD2 3.96Å; Y817-L885 HydrophobicContact CD1-CB 4.49Å; Y817-L885 HydrophobicContact CD1-CD1 4.34Å; Y817-L885 HydrophobicContact CE1-CB 3.95Å; Y817-L885 HydrophobicContact CE1-CD1 4.29Å; Y817-L885 HydrophobicContact CE2-CB 4.18Å; Y817-L885 VanDerWaalsContact OH-C 3.27Å; Y817-L885 PolarHBondContact OH-O 3.15Å; Y836-L885 HydrophobicContact CE1-CD1 4.1Å; Q881-L885 WeakPolarHBondContact O-CG 3.29Å; Q881-L885 PolarHBondContact O-N 3.01Å; Q882-L885 PolarHBondContact O-N 3.05Å; L885-A887 VanDerWaalsContact C-N 3.33Å; L885-A887 PolarHBondContact O-N 3.18Å; L885-K888 PolarHBondContact O-N 3.19Å; L885-Y897 HydrophobicContact CD2-CD2 3.92Å; L885-Y897 HydrophobicContact CD2-CE2 4.44Å; L885-Y897 HydrophobicContact CD2-CG 4.47Å; L885-Y898 HydrophobicContact CD1-CE1 4.28Å
886	L	97.5	Very high	94.7	Very high	1.25 Å²	1.25	34.9 Å²	34.9	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-61.1	-42.4	171.5	175.2	60.9	0	0	0	111	I802 L804 Y817 I829 L834 Q882 L883 K888 L889 F890 L942 L964	I802-L886 HydrophobicContact CD1-CD1 3.55Å; L804-L886 HydrophobicContact CD1-CD2 4.48Å; L804-L886 HydrophobicContact CD2-CD1 4.5Å; L804-L886 HydrophobicContact CD2-CD2 4.21Å; Y817-L886 WeakPolarHBondContact OH-CA 3.47Å; Y817-L886 PolarHBondContact OH-N 3.11Å; I829-L886 HydrophobicContact CD1-CD1 4.08Å; L834-L886 HydrophobicContact CD2-CD2 4.04Å; Q882-L886 WeakPolarHBondContact O-CB 3.32Å; Q882-L886 PolarHBondContact O-N 3.03Å; L883-L886 PolarHBondContact O-N 3.12Å; L886-K888 PolarHBondContact O-N 3Å; L886-L889 HydrophobicContact CD1-CD1 4.43Å; L886-L889 WeakPolarHBondContact O-CB 3.34Å; L886-L889 PolarHBondContact O-N 3.09Å; L886-F890 HydrophobicContact CD1-CE2 4.09Å; L886-F890 WeakPolarHBondContact O-CD2 3.37Å; L886-L942 HydrophobicContact CD2-CD2 4.02Å; L886-L964 HydrophobicContact CD2-CD2 4.3Å; L886-L964 HydrophobicContact CG-CD2 4.33Å
887	A	97.4	Very high	94.3	Very high	0.5 Å²	0.5	36.9 Å²	36.9	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-68.8	-35.6	-179.2	0	0	0	0	0	113.5	L883 C884 L885 L889 F890 L891 K894 Y945 L962	L883-A887 VanDerWaalsContact O-CB 3.26Å; L883-A887 WeakPolarHBondContact O-CB 3.28Å; L883-A887 PolarHBondContact O-N 3.16Å; C884-A887 PolarHBondContact O-N 3.13Å; L885-A887 VanDerWaalsContact C-N 3.33Å; L885-A887 PolarHBondContact O-N 3.18Å; A887-L889 PolarHBondContact O-N 2.93Å; A887-L889 VanDerWaalsContact O-N 3.15Å; A887-F890 CarbonylContact O-C 3.49Å; A887-F890 PolarHBondContact O-N 2.9Å; A887-L891 HydrophobicContact CB-CD1 4.26Å; A887-L891 WeakPolarHBondContact O-CB 3.33Å; A887-L891 PolarHBondContact O-N 3.08Å; A887-K894 HydrophobicContact CB-CD 4.07Å; A887-Y945 HydrophobicContact CB-CE1 3.71Å; A887-Y945 VanDerWaalsContact CB-OH 3.31Å; A887-Y945 WeakPolarHBondContact CB-OH 3.39Å; A887-L962 HydrophobicContact CB-CD2 3.86Å
888	K	96.1	Very high	94	Very high	27 Å²	27	37.4 Å²	37.4	12%	0.117	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-21.3	177.8	-179.2	67.6	-152.1	80.8	0	113.2	A815 C884 L885 L886 F890 L891 D892 K894	A815-K888 HydrophobicContact CB-CB 3.8Å; A815-K888 HydrophobicContact CB-CG 3.74Å; C884-K888 PolarHBondContact O-N 3.09Å; L885-K888 PolarHBondContact O-N 3.19Å; L886-K888 PolarHBondContact O-N 3Å; K888-F890 PolarHBondContact O-N 2.99Å; K888-L891 PolarHBondContact NZ-O 3.04Å; K888-L891 VanDerWaalsContact O-O 3.09Å; K888-D892 WeakPolarHBondContact CE-O 3.39Å; K888-D892 PolarHBondContact NZ-O 3.02Å; K888-D892 IonicContact NZ-OD1 3.7Å; K888-K894 HydrophobicContact CD-CB 4.17Å; K888-K894 VanDerWaalsContact CD-O 3.27Å; K888-K894 WeakPolarHBondContact CD-O 3.42Å
889	L	96.4	Very high	93.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.3	172.9	-61.6	173.2	0	0	0	113.6	P799 I802 T811 W812 Y813 A815 Y817 L886 A887	P799-L889 HydrophobicContact CG-CD2 4.41Å; I802-L889 HydrophobicContact CD1-CD1 4.14Å; I802-L889 HydrophobicContact CG2-CD1 3.65Å; T811-L889 HydrophobicContact CG2-CB 4.17Å; T811-L889 HydrophobicContact CG2-CD1 4.02Å; T811-L889 HydrophobicContact CG2-CD2 3.88Å; T811-L889 HydrophobicContact CG2-CG 4.25Å; W812-L889 WeakPolarHBondContact CA-O 3.3Å; W812-L889 WeakPolarHBondContact CB-O 3.37Å; W812-L889 PolarHBondContact N-O 2.99Å; Y813-L889 PolarHBondContact N-O 3.02Å; Y813-L889 WeakPolarHBondContact O-CA 3.3Å; A815-L889 HydrophobicContact CB-CD2 3.43Å; A815-L889 VanDerWaalsContact CB-CD2 3.43Å; A815-L889 HydrophobicContact CB-CG 3.87Å; Y817-L889 HydrophobicContact CE2-CD1 3.95Å; Y817-L889 HydrophobicContact CE2-CD2 4.07Å; Y817-L889 HydrophobicContact CE2-CG 4.08Å; L886-L889 HydrophobicContact CD1-CD1 4.43Å; L886-L889 WeakPolarHBondContact O-CB 3.34Å; L886-L889 PolarHBondContact O-N 3.09Å; A887-L889 PolarHBondContact O-N 2.93Å; A887-L889 VanDerWaalsContact O-N 3.15Å
890	F	96.1	Very high	93.8	Very high	5.25 Å²	5.25	35.7 Å²	35.7	2%	0.023	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-4.7	-174.3	-52.2	-66.7	0	0	0	113.4	I802 I809 W812 Y813 L886 A887 K888 L962 L964 P965	I802-F890 HydrophobicContact CD1-CE2 4.06Å; I802-F890 HydrophobicContact CD1-CZ 3.91Å; I809-F890 HydrophobicContact CB-CZ 4.47Å; I809-F890 HydrophobicContact CG2-CE1 3.76Å; I809-F890 HydrophobicContact CG2-CZ 3.7Å; W812-F890 HydrophobicContact CB-CD1 4.48Å; W812-F890 AromaticContact CD2-CD1 3.8Å; W812-F890 HydrophobicContact CD2-CD1 4.01Å; W812-F890 HydrophobicContact CE3-CB 4.22Å; W812-F890 AromaticContact CE3-CD1 3.89Å; W812-F890 HydrophobicContact CE3-CD1 3.89Å; W812-F890 HydrophobicContact CE3-CG 4.34Å; W812-F890 AromaticContact CG-CD1 3.99Å; W812-F890 HydrophobicContact CG-CD1 4.05Å; W812-F890 HydrophobicContact CZ2-CD1 4.44Å; W812-F890 HydrophobicContact CZ3-CB 3.9Å; W812-F890 HydrophobicContact CZ3-CD1 4.24Å; Y813-F890 WeakPolarHBondContact CE2-O 3.41Å; L886-F890 HydrophobicContact CD1-CE2 4.09Å; L886-F890 WeakPolarHBondContact O-CD2 3.37Å; A887-F890 CarbonylContact O-C 3.49Å; A887-F890 PolarHBondContact O-N 2.9Å; K888-F890 PolarHBondContact O-N 2.99Å; F890-L962 HydrophobicContact CB-CD1 3.73Å; F890-L962 HydrophobicContact CB-CD2 4.16Å; F890-L962 HydrophobicContact CD2-CD2 4.15Å; F890-L964 HydrophobicContact CD2-CD2 4.38Å; F890-L964 HydrophobicContact CE2-CD2 4.29Å; F890-P965 HydrophobicContact CD1-CG 3.66Å; F890-P965 HydrophobicContact CE1-CG 3.62Å; F890-P965 HydrophobicContact CG-CG 4.29Å; F890-P965 HydrophobicContact CZ-CG 4.21Å
891	L	93.9	Very high	93.7	Very high	25.5 Å²	25.5	38.8 Å²	38.8	13%	0.134	19%	0.19	C	C	.	.			trans	-122.6	123.6	174.5	-62.6	178.5	0	0	0	109.4	A887 K888 K894 C960 L962	A887-L891 HydrophobicContact CB-CD1 4.26Å; A887-L891 WeakPolarHBondContact O-CB 3.33Å; A887-L891 PolarHBondContact O-N 3.08Å; K888-L891 PolarHBondContact NZ-O 3.04Å; K888-L891 VanDerWaalsContact O-O 3.09Å; L891-K894 HydrophobicContact CB-CB 4.12Å; L891-K894 HydrophobicContact CD1-CB 4.47Å; L891-K894 HydrophobicContact CD1-CD 4.19Å; L891-C960 HydrophobicContact CD1-CB 4.26Å; L891-L962 HydrophobicContact CD1-CB 4.4Å; L891-L962 HydrophobicContact CD2-CD1 4.39Å; L891-L962 HydrophobicContact CG-CD1 4.48Å
892	D	90	Very high	93.6	Very high	62.75 Å²	62.75	40.1 Å²	40.1	34%	0.336	20%	0.202	S	C	.	.	S	Bend	trans	-66.9	-67.4	178.2	-171.6	28	0	0	0	111.1	Y813 K888 K894	Y813-D892 HydrophobicContact CD1-CB 4.01Å; Y813-D892 HydrophobicContact CD2-CB 4.34Å; Y813-D892 HydrophobicContact CE1-CB 3.62Å; Y813-D892 HydrophobicContact CE2-CB 4.15Å; Y813-D892 HydrophobicContact CG-CB 4.41Å; K888-D892 WeakPolarHBondContact CE-O 3.39Å; K888-D892 PolarHBondContact NZ-O 3.02Å; K888-D892 IonicContact NZ-OD1 3.7Å; D892-K894 PolarHBondContact O-N 3.12Å; D892-K894 VanDerWaalsContact O-N 3.08Å
893	H	86.4	Confident	93.5	Very high	110.25 Å²	110.25	40.1 Å²	40.1	51%	0.51	20%	0.201	S	C	.	.	S	Bend	trans	-74.8	16.6	-168.7	-43.3	-40.3	0	0	0	115.6	T895 P996	H893-T895 PolarHBondContact O-N 3.19Å; H893-T895 VanDerWaalsContact O-N 3.11Å; H893-P996 HydrophobicContact CB-CG 4.23Å; H893-P996 VanDerWaalsContact CD2-CG 3.42Å; H893-P996 WeakPolarHBondContact CD2-CG 3Å
894	K	91.1	Very high	93.5	Very high	14.5 Å²	14.5	40.5 Å²	40.5	6%	0.063	20%	0.203	C	C	.	.			trans	-77.2	98.5	178.6	-178.5	159.9	178.6	52.9	0	111.1	C884 A887 K888 L891 D892 L896	C884-K894 WeakPolarHBondContact SG-CE 3.4Å; C884-K894 PolarHBondContact SG-NZ 3.13Å; C884-K894 VanDerWaalsContact SG-NZ 3.41Å; A887-K894 HydrophobicContact CB-CD 4.07Å; K888-K894 HydrophobicContact CD-CB 4.17Å; K888-K894 VanDerWaalsContact CD-O 3.27Å; K888-K894 WeakPolarHBondContact CD-O 3.42Å; L891-K894 HydrophobicContact CB-CB 4.12Å; L891-K894 HydrophobicContact CD1-CB 4.47Å; L891-K894 HydrophobicContact CD1-CD 4.19Å; D892-K894 PolarHBondContact O-N 3.12Å; D892-K894 VanDerWaalsContact O-N 3.08Å; K894-L896 WeakPolarHBondContact CE-O 3.42Å; K894-L896 PolarHBondContact NZ-O 3.05Å
895	T	85.8	Confident	93.5	Very high	107.75 Å²	107.75	40.4 Å²	40.4	66%	0.661	20%	0.203	S	C	*	.			trans	-80.6	-42	-176.8	53	0	0	0	0	113.9	H893 Y897	H893-T895 PolarHBondContact O-N 3.19Å; H893-T895 VanDerWaalsContact O-N 3.11Å; T895-Y897 WeakPolarHBondContact O-CD1 3.36Å; T895-Y897 VanDerWaalsContact O-CE1 3.27Å; T895-Y897 WeakPolarHBondContact O-CE1 3.22Å
896	L	84.9	Confident	93.6	Very high	74.5 Å²	74.5	40.3 Å²	40.3	39%	0.39	20%	0.203	S	C	.	.			trans	-96.3	122	-175.5	-62.3	178.7	0	0	0	112.1	K894 F903	K894-L896 WeakPolarHBondContact CE-O 3.42Å; K894-L896 PolarHBondContact NZ-O 3.05Å; L896-F903 HydrophobicContact CB-CE2 4.37Å; L896-F903 HydrophobicContact CD1-CE2 3.88Å; L896-F903 HydrophobicContact CD1-CZ 3.93Å
897	Y	87.5	Confident	93.6	Very high	65 Å²	65	40.3 Å²	40.3	26%	0.255	20%	0.202	S	C	.	.	S	Bend	trans	-140.7	-18.9	180	52.3	-86.3	0	0	0	115.2	P816 Q881 L885 T895	P816-Y897 HydrophobicContact CB-CE2 3.98Å; P816-Y897 HydrophobicContact CG-CD1 4.2Å; P816-Y897 HydrophobicContact CG-CD2 3.76Å; P816-Y897 HydrophobicContact CG-CE1 3.81Å; P816-Y897 HydrophobicContact CG-CE2 3.27Å; P816-Y897 HydrophobicContact CG-CG 4.2Å; Q881-Y897 WeakPolarHBondContact CA-O 3.4Å; L885-Y897 HydrophobicContact CD2-CD2 3.92Å; L885-Y897 HydrophobicContact CD2-CE2 4.44Å; L885-Y897 HydrophobicContact CD2-CG 4.47Å; T895-Y897 WeakPolarHBondContact O-CD1 3.36Å; T895-Y897 VanDerWaalsContact O-CE1 3.27Å; T895-Y897 WeakPolarHBondContact O-CE1 3.22Å
898	Y	91.4	Very high	93.7	Very high	99.5 Å²	99.5	40.3 Å²	40.3	39%	0.39	20%	0.203	S	C	.	.	S	Bend	trans	-99.6	-31.4	170.3	-66.3	-42.4	0	0	0	113.8	P816 R877 Q881 L885 V900	P816-Y898 PolarHBondContact O-OH 3.09Å; R877-Y898 PolarHBondContact NH2-O 2.87Å; R877-Y898 VanDerWaalsContact NH2-O 3.14Å; Q881-Y898 HydrophobicContact CG-CD1 4.48Å; Q881-Y898 PolarHBondContact NE2-O 2.97Å; L885-Y898 HydrophobicContact CD1-CE1 4.28Å; Y898-V900 VanDerWaalsContact C-N 3.33Å; Y898-V900 PolarHBondContact O-N 3.17Å; Y898-V900 VanDerWaalsContact O-N 3.15Å
899	D	93.9	Very high	93.7	Very high	92.25 Å²	92.25	39 Å²	39	49%	0.493	20%	0.197	S	C	.	.			trans	-95.6	76.1	-179.4	-58.2	-44	0	0	0	110	R877 P902	R877-D899 IonicContact NH2-OD1 3.44Å; R877-D899 PolarHBondContact NH2-OD1 3.37Å; R877-D899 VanDerWaalsContact NH2-OD1 3.11Å; D899-P902 WeakPolarHBondContact O-CD 3.49Å
900	V	96.3	Very high	93.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	20%	0.203	C	C	.	.			trans	-95.3	-9.9	-175	-64.8	0	0	0	0	113.3	G873 R877 C880 Q881 C884 Y898 P902 F903 F905	G873-V900 WeakPolarHBondContact CA-O 3.33Å; G873-V900 WeakPolarHBondContact O-CG2 3.21Å; R877-V900 HydrophobicContact CB-CG2 4.42Å; R877-V900 HydrophobicContact CG-CG2 3.74Å; C880-V900 HydrophobicContact CB-CB 3.89Å; C880-V900 HydrophobicContact CB-CG1 4.19Å; C880-V900 HydrophobicContact CB-CG2 3.85Å; Q881-V900 HydrophobicContact CG-CG1 4.12Å; Q881-V900 HydrophobicContact CG-CG2 3.83Å; C884-V900 HydrophobicContact CB-CG1 4.5Å; Y898-V900 VanDerWaalsContact C-N 3.33Å; Y898-V900 PolarHBondContact O-N 3.17Å; Y898-V900 VanDerWaalsContact O-N 3.15Å; V900-P902 VanDerWaalsContact C-CD 3.46Å; V900-F903 PolarHBondContact O-N 2.83Å; V900-F903 VanDerWaalsContact O-N 3.12Å; V900-F905 HydrophobicContact CB-CE2 4.13Å; V900-F905 HydrophobicContact CB-CZ 4.06Å; V900-F905 HydrophobicContact CG1-CZ 4.07Å
901	E	95.4	Very high	93.4	Very high	66 Å²	66	40.2 Å²	40.2	31%	0.308	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-33	-178.8	-58.9	166	159.6	0	0	116.1	Y874 R877 F903 K950	Y874-E901 HydrophobicContact CD2-CB 4.21Å; Y874-E901 HydrophobicContact CD2-CG 4.11Å; R877-E901 WeakPolarHBondContact CD-OE1 3.42Å; R877-E901 IonicContact CZ-OE1 3.46Å; R877-E901 IonicContact CZ-OE2 2.63Å; R877-E901 IonicContact NE-OE1 3.23Å; R877-E901 IonicContact NE-OE2 2.61Å; R877-E901 PolarHBondContact NE-OE2 2.85Å; R877-E901 VanDerWaalsContact NH1-CD 3.32Å; R877-E901 IonicContact NH1-OE1 3.39Å; R877-E901 PolarHBondContact NH1-OE1 2.99Å; R877-E901 IonicContact NH1-OE2 3.82Å; R877-E901 IonicContact NH2-OE1 2.84Å; R877-E901 PolarHBondContact NH2-OE1 2.92Å; R877-E901 IonicContact NH2-OE2 3.79Å; R877-E901 PolarHBondContact NH2-OE2 2.96Å; E901-F903 VanDerWaalsContact C-N 3.27Å; E901-F903 PolarHBondContact O-N 3.25Å; E901-K950 WeakPolarHBondContact O-CE 3.41Å; E901-K950 PolarHBondContact O-NZ 3.05Å
902	P	95	Very high	92.5	Very high	64.75 Å²	64.75	44.1 Å²	44.1	42%	0.42	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-4.4	175.6	19.1	-18.3	0	0	0	114	D899 V900 K950	D899-P902 WeakPolarHBondContact O-CD 3.49Å; V900-P902 VanDerWaalsContact C-CD 3.46Å; P902-K950 WeakPolarHBondContact O-CB 3.44Å; P902-K950 VanDerWaalsContact O-CG 3.31Å; P902-K950 WeakPolarHBondContact O-CG 3.3Å; P902-K950 PolarHBondContact O-N 2.95Å
903	F	96.4	Very high	91	Very high	16.25 Å²	16.25	44.3 Å²	44.3	7%	0.071	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	144.7	-173.3	-61.8	-83.3	0	0	0	113.5	G873 L896 V900 E901 F905 K948 E949 K950	G873-F903 PolarHBondContact N-O 2.96Å; G873-F903 VanDerWaalsContact N-O 3.14Å; L896-F903 HydrophobicContact CB-CE2 4.37Å; L896-F903 HydrophobicContact CD1-CE2 3.88Å; L896-F903 HydrophobicContact CD1-CZ 3.93Å; V900-F903 PolarHBondContact O-N 2.83Å; V900-F903 VanDerWaalsContact O-N 3.12Å; E901-F903 VanDerWaalsContact C-N 3.27Å; E901-F903 PolarHBondContact O-N 3.25Å; F903-F905 HydrophobicContact CB-CD2 4.25Å; F903-F905 HydrophobicContact CB-CE2 3.56Å; F903-F905 HydrophobicContact CB-CZ 3.87Å; F903-K948 CarbonylContact C-O 3.44Å; F903-K948 WeakPolarHBondContact CA-O 3.25Å; F903-E949 HydrophobicContact CD1-CG 4.09Å; F903-E949 HydrophobicContact CE1-CG 3.6Å; F903-E949 HydrophobicContact CZ-CG 4.37Å; F903-K950 WeakPolarHBondContact O-CE 3.32Å
904	L	96.9	Very high	89.4	Confident	11.25 Å²	11.25	44.1 Å²	44.1	6%	0.059	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	148.4	155.6	-60.1	177.6	0	0	0	108.9	D872 Y906 S947 K948 K950 L1126	D872-L904 HydrophobicContact CB-CD2 3.98Å; L904-Y906 HydrophobicContact CB-CE2 4.09Å; L904-Y906 HydrophobicContact CD1-CE2 4.42Å; L904-Y906 WeakPolarHBondContact CD1-OH 3.25Å; L904-S947 CarbonylContact O-C 3.51Å; L904-S947 VanDerWaalsContact O-CA 3.23Å; L904-S947 WeakPolarHBondContact O-CA 3.27Å; L904-S947 WeakPolarHBondContact O-CB 3.34Å; L904-K948 PolarHBondContact N-O 2.97Å; L904-K948 PolarHBondContact O-N 3.08Å; L904-K950 HydrophobicContact CD2-CG 4.17Å; L904-K950 HydrophobicContact CG-CG 3.89Å; L904-L1126 HydrophobicContact CD1-CD1 4.03Å; L904-L1126 HydrophobicContact CD2-CD1 4.35Å
905	F	98.2	Very high	87.2	Confident	0.5 Å²	0.5	46.4 Å²	46.4	0%	0.002	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.7	177.7	-63.1	-102.7	0	0	0	109.1	F869 V871 C880 L883 V900 F903 V907 Y945	F869-F905 VanDerWaalsContact O-O 3.14Å; V871-F905 HydrophobicContact CB-CB 4.27Å; V871-F905 PolarHBondContact N-O 2.99Å; V871-F905 PolarHBondContact O-N 3.25Å; C880-F905 HydrophobicContact CB-CD2 3.98Å; C880-F905 HydrophobicContact CB-CE1 4.42Å; C880-F905 HydrophobicContact CB-CE2 3.62Å; C880-F905 HydrophobicContact CB-CZ 3.92Å; C880-F905 WeakPolarHBondContact SG-CD2 3.4Å; L883-F905 HydrophobicContact CD2-CB 4.4Å; L883-F905 HydrophobicContact CD2-CD1 3.85Å; L883-F905 HydrophobicContact CD2-CG 4.42Å; V900-F905 HydrophobicContact CB-CE2 4.13Å; V900-F905 HydrophobicContact CB-CZ 4.06Å; V900-F905 HydrophobicContact CG1-CZ 4.07Å; F903-F905 HydrophobicContact CB-CD2 4.25Å; F903-F905 HydrophobicContact CB-CE2 3.56Å; F903-F905 HydrophobicContact CB-CZ 3.87Å; F905-V907 HydrophobicContact CB-CG2 4.26Å; F905-Y945 AromaticContact CD1-CD2 3.84Å; F905-Y945 HydrophobicContact CD1-CD2 3.84Å; F905-Y945 AromaticContact CD1-CE2 3.73Å; F905-Y945 HydrophobicContact CD1-CE2 3.73Å; F905-Y945 HydrophobicContact CE1-CE2 4.09Å
906	Y	98.5	Very high	85.2	Confident	1 Å²	1	46.8 Å²	46.8	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	101.3	176.8	-63.8	-78.9	0	0	0	108.5	I860 F869 E870 L904 Y945 F946 K948 F979 L983	I860-Y906 HydrophobicContact CD1-CD1 3.78Å; I860-Y906 HydrophobicContact CD1-CE1 3.82Å; F869-Y906 WeakPolarHBondContact O-CA 3.34Å; E870-Y906 HydrophobicContact CB-CD1 4.34Å; E870-Y906 HydrophobicContact CB-CE1 4.15Å; E870-Y906 HydrophobicContact CG-CD1 4.33Å; E870-Y906 HydrophobicContact CG-CE1 3.95Å; E870-Y906 WeakPolarHBondContact OE1-CE1 3.49Å; E870-Y906 VanDerWaalsContact OE1-CZ 3.3Å; E870-Y906 PolarHBondContact OE1-OH 2.75Å; L904-Y906 HydrophobicContact CB-CE2 4.09Å; L904-Y906 HydrophobicContact CD1-CE2 4.42Å; L904-Y906 WeakPolarHBondContact CD1-OH 3.25Å; Y906-Y945 CarbonylContact O-C 3.58Å; Y906-Y945 WeakPolarHBondContact O-CA 3.39Å; Y906-Y945 WeakPolarHBondContact O-CB 3.27Å; Y906-F946 AromaticContact CD2-CD2 3.88Å; Y906-F946 HydrophobicContact CD2-CD2 3.88Å; Y906-F946 HydrophobicContact CD2-CE1 4.19Å; Y906-F946 AromaticContact CD2-CE2 3.28Å; Y906-F946 HydrophobicContact CD2-CE2 3.28Å; Y906-F946 AromaticContact CD2-CZ 3.45Å; Y906-F946 HydrophobicContact CD2-CZ 3.45Å; Y906-F946 VanDerWaalsContact CD2-CZ 3.45Å; Y906-F946 AromaticContact CE2-CE2 3.9Å; Y906-F946 HydrophobicContact CE2-CE2 3.93Å; Y906-F946 HydrophobicContact CE2-CZ 4.22Å; Y906-F946 HydrophobicContact CG-CE1 4.04Å; Y906-F946 AromaticContact CG-CE2 3.96Å; Y906-F946 HydrophobicContact CG-CE2 3.98Å; Y906-F946 AromaticContact CG-CZ 3.66Å; Y906-F946 HydrophobicContact CG-CZ 3.66Å; Y906-F946 PolarHBondContact N-O 3.12Å; Y906-F946 PolarHBondContact O-N 3.1Å; Y906-K948 HydrophobicContact CE2-CB 4.11Å; Y906-K948 HydrophobicContact CE2-CD 4.37Å; Y906-F979 HydrophobicContact CD1-CE1 4.39Å; Y906-L983 HydrophobicContact CD1-CD1 4.05Å; Y906-L983 HydrophobicContact CD2-CD1 4.25Å; Y906-L983 HydrophobicContact CE1-CD1 3.62Å; Y906-L983 HydrophobicContact CE2-CD1 3.83Å; Y906-L983 HydrophobicContact CG-CD1 4.33Å; Y906-L983 VanDerWaalsContact CZ-CD1 3.47Å
907	V	98.5	Very high	83.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	115.5	-167.5	-174.7	0	0	0	0	110	P855 V868 F869 V871 Y879 L883 F905 T909 L942	P855-V907 HydrophobicContact CB-CB 4.33Å; P855-V907 HydrophobicContact CB-CG1 4.18Å; P855-V907 HydrophobicContact CG-CB 4.23Å; P855-V907 HydrophobicContact CG-CG1 3.71Å; V868-V907 WeakPolarHBondContact CA-O 3.35Å; F869-V907 HydrophobicContact CB-CB 4.4Å; F869-V907 PolarHBondContact N-O 2.91Å; F869-V907 PolarHBondContact O-N 3.06Å; V871-V907 HydrophobicContact CB-CG2 4.49Å; V871-V907 HydrophobicContact CG2-CG2 3.95Å; Y879-V907 HydrophobicContact CE1-CG2 4.36Å; L883-V907 HydrophobicContact CD2-CG2 4.08Å; F905-V907 HydrophobicContact CB-CG2 4.26Å; V907-T909 HydrophobicContact CG1-CG2 4.38Å; V907-L942 HydrophobicContact CG1-CD1 3.39Å
908	V	98.2	Very high	81.4	Confident	1.75 Å²	1.75	55.7 Å²	55.7	1%	0.011	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132.4	-180	-179.3	0	0	0	0	110.1	I866 V868 V943 G944 F975 L976	I866-V908 HydrophobicContact CG2-CG1 4.08Å; V868-V908 HydrophobicContact CG1-CG2 4.23Å; V868-V908 HydrophobicContact CG2-CG2 4.09Å; V908-V943 HydrophobicContact CG1-CB 4.47Å; V908-V943 PolarHBondContact O-N 3.1Å; V908-G944 PolarHBondContact N-O 3.21Å; V908-G944 PolarHBondContact O-N 3.08Å; V908-F975 HydrophobicContact CG1-CD1 4.28Å; V908-F975 HydrophobicContact CG1-CE1 4.01Å; V908-F975 HydrophobicContact CG2-CD1 4.22Å; V908-F975 HydrophobicContact CG2-CE1 3.91Å; V908-L976 HydrophobicContact CB-CD2 4.35Å; V908-L976 HydrophobicContact CG2-CD2 3.39Å; V908-L976 VanDerWaalsContact CG2-CD2 3.41Å; V908-L976 HydrophobicContact CG2-CG 4.12Å
909	T	97.4	Very high	79.1	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153.6	-176.6	59.6	0	0	0	0	111.9	P855 I866 S867 F869 V907 F940 H941	P855-T909 HydrophobicContact CG-CG2 3.65Å; I866-T909 WeakPolarHBondContact CA-O 3.43Å; S867-T909 PolarHBondContact N-O 3.36Å; S867-T909 PolarHBondContact O-N 3.15Å; S867-T909 PolarHBondContact O-OG1 3.07Å; F869-T909 HydrophobicContact CD2-CG2 4.16Å; F869-T909 HydrophobicContact CE2-CG2 4.3Å; F869-T909 WeakPolarHBondContact CE2-OG1 3.39Å; V907-T909 HydrophobicContact CG1-CG2 4.38Å; T909-F940 HydrophobicContact CG2-CB 4.2Å; T909-H941 CarbonylContact C-O 3.53Å; T909-H941 WeakPolarHBondContact CA-O 3.2Å; T909-H941 WeakPolarHBondContact CB-O 3.35Å
910	I	94.6	Very high	76.5	Confident	26.25 Å²	26.25	56.6 Å²	56.6	14%	0.135	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.4	167.3	34.6	172.8	0	0	0	110.4	N865 I866 F940 H941 V943 Y967 Y972	N865-I910 CarbonylContact O-C 3.57Å; N865-I910 VanDerWaalsContact O-CA 3.3Å; N865-I910 WeakPolarHBondContact O-CA 3.34Å; I866-I910 HydrophobicContact CG1-CG2 4.23Å; I910-F940 CarbonylContact O-C 3.41Å; I910-F940 WeakPolarHBondContact O-CA 3.38Å; I910-H941 HydrophobicContact CG1-CB 4.12Å; I910-H941 PolarHBondContact N-O 3.17Å; I910-H941 PolarHBondContact O-N 3.06Å; I910-V943 HydrophobicContact CB-CG2 4.3Å; I910-V943 HydrophobicContact CD1-CG2 3.92Å; I910-V943 HydrophobicContact CG1-CG2 3.72Å; I910-V943 HydrophobicContact CG2-CG2 3.87Å; I910-Y967 HydrophobicContact CD1-CD1 4.39Å; I910-Y967 HydrophobicContact CD1-CE1 3.87Å; I910-Y972 HydrophobicContact CD1-CE1 4.39Å; I910-Y972 HydrophobicContact CD1-CE2 4.48Å; I910-Y972 VanDerWaalsContact CD1-OH 3.3Å; I910-Y972 WeakPolarHBondContact CD1-OH 3.21Å; I910-Y972 HydrophobicContact CG1-CE1 4.49Å; I910-Y972 HydrophobicContact CG2-CE1 4.26Å; I910-Y972 WeakPolarHBondContact CG2-OH 3.38Å
911	H	90.3	Very high	73.7	Confident	3 Å²	3	63.2 Å²	63.2	1%	0.014	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.5	173.6	61.7	53.2	0	0	0	111.3	R862 N864 N865 S867 N913 R938 C939 F940	R862-H911 PolarHBondContact NE-CE1 2.96Å; R862-H911 PolarHBondContact NE-NE2 3.06Å; R862-H911 PolarHBondContact NH1-NE2 3.43Å; R862-H911 PolarHBondContact NH2-CE1 3.01Å; R862-H911 VanDerWaalsContact NH2-CE1 3.31Å; R862-H911 PolarHBondContact NH2-NE2 3.41Å; N864-H911 PolarHBondContact O-CE1 2.99Å; N864-H911 VanDerWaalsContact O-CE1 3.27Å; N865-H911 WeakPolarHBondContact CB-O 3.31Å; N865-H911 PolarHBondContact O-N 3.28Å; N865-H911 PolarHBondContact O-ND1 3.13Å; S867-H911 PolarHBondContact OG-CD2 3.14Å; S867-H911 VanDerWaalsContact OG-CD2 3.26Å; S867-H911 PolarHBondContact OG-CE1 3.18Å; S867-H911 PolarHBondContact OG-ND1 2.82Å; S867-H911 PolarHBondContact OG-NE2 3.09Å; H911-N913 PolarHBondContact CD2-OD1 3.48Å; H911-N913 PolarHBondContact CE1-OD1 3.02Å; H911-N913 PolarHBondContact ND1-OD1 3.04Å; H911-N913 PolarHBondContact O-N 3.18Å; H911-N913 VanDerWaalsContact O-N 3.13Å; H911-R938 HydrophobicContact CB-CG 4.21Å; H911-R938 VanDerWaalsContact CD2-CZ 3.47Å; H911-R938 PolarHBondContact CD2-NE 2.96Å; H911-R938 PolarHBondContact CD2-NH2 2.86Å; H911-R938 PolarHBondContact NE2-NE 3.37Å; H911-R938 PolarHBondContact NE2-NH2 3.45Å; H911-C939 VanDerWaalsContact CA-O 3.28Å; H911-C939 WeakPolarHBondContact CA-O 3.35Å; H911-C939 WeakPolarHBondContact CB-O 3.26Å; H911-F940 HydrophobicContact CB-CD1 3.96Å; H911-F940 HydrophobicContact CB-CE1 4.2Å; H911-F940 HydrophobicContact CB-CG 4.25Å; H911-F940 AromaticContact CD2-CD1 3.7Å; H911-F940 AromaticContact CD2-CE1 3.51Å; H911-F940 VanDerWaalsContact CD2-CE1 3.45Å; H911-F940 WeakPolarHBondContact CD2-CE1 3.21Å; H911-F940 AromaticContact CG-CD1 3.97Å; H911-F940 AromaticContact CG-CE1 3.85Å; H911-F940 AromaticContact ND1-CD1 3.56Å; H911-F940 AromaticContact ND1-CE1 3.37Å; H911-F940 WeakPolarHBondContact ND1-CE1 3.24Å
912	N	76.1	Confident	71.4	Confident	108 Å²	108	68.8 Å²	68.8	58%	0.578	36%	0.358	S	S	*	.			trans	-80.4	115.7	178.5	-68.9	-21.8	0	0	0	110.3	I914	N912-I914 VanDerWaalsContact C-N 3.3Å; N912-I914 HydrophobicContact CB-CD1 4.27Å; N912-I914 HydrophobicContact CB-CG1 4.3Å; N912-I914 PolarHBondContact O-N 3.06Å
913	N	57.8	Low	68.8	Low	67.5 Å²	67.5	74 Å²	74	36%	0.361	37%	0.374	S	S	.	.			trans	-77.7	54.9	174.9	-77	-17.7	0	0	0	111.8	R862 N864 H911 T915 D916 R938	R862-N913 PolarHBondContact NH2-OD1 3.42Å; N864-N913 VanDerWaalsContact C-ND2 3.35Å; N864-N913 PolarHBondContact O-ND2 3.06Å; N864-N913 VanDerWaalsContact O-ND2 3.13Å; H911-N913 PolarHBondContact CD2-OD1 3.48Å; H911-N913 PolarHBondContact CE1-OD1 3.02Å; H911-N913 PolarHBondContact ND1-OD1 3.04Å; H911-N913 PolarHBondContact O-N 3.18Å; H911-N913 VanDerWaalsContact O-N 3.13Å; N913-T915 PolarHBondContact O-N 3.04Å; N913-D916 PolarHBondContact O-N 3.27Å; N913-D916 VanDerWaalsContact O-N 3.11Å; N913-R938 VanDerWaalsContact OD1-CZ 3.23Å; N913-R938 PolarHBondContact OD1-NH1 2.89Å; N913-R938 PolarHBondContact OD1-NH2 3.49Å
914	I	52.8	Low	66	Low	105.75 Å²	105.75	77.6 Å²	77.6	54%	0.542	40%	0.401	S	S	.	.			trans	-76.5	36	170.1	-56.8	178.5	0	0	0	109.1	N912 Q919 N936	N912-I914 VanDerWaalsContact C-N 3.3Å; N912-I914 HydrophobicContact CB-CD1 4.27Å; N912-I914 HydrophobicContact CB-CG1 4.3Å; N912-I914 PolarHBondContact O-N 3.06Å; I914-Q919 HydrophobicContact CG2-CG 4.31Å; I914-N936 PolarHBondContact O-ND2 3.09Å
915	T	45.3	Very low	63.1	Low	63 Å²	63	84.1 Å²	84.1	39%	0.387	44%	0.436	S	S	.	.			trans	-86.2	127.1	170.7	50.9	0	0	0	0	110.5	N913 E917 N936 R938	N913-T915 PolarHBondContact O-N 3.04Å; T915-E917 PolarHBondContact O-N 3.36Å; T915-N936 HydrophobicContact CG2-CB 3.86Å; T915-N936 VanDerWaalsContact CG2-CG 3.4Å; T915-R938 PolarHBondContact OG1-NH1 3.21Å
916	D	43.5	Very low	60.5	Low	115 Å²	115	93.1 Å²	93.1	62%	0.615	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	23.9	-169.6	-54	-53.4	0	0	0	115.3	N913 Q918 R938	N913-D916 PolarHBondContact O-N 3.27Å; N913-D916 VanDerWaalsContact O-N 3.11Å; D916-Q918 PolarHBondContact O-N 2.92Å; D916-R938 IonicContact OD1-CZ 3.17Å; D916-R938 IonicContact OD1-NE 3.17Å; D916-R938 IonicContact OD1-NH2 2.71Å; D916-R938 PolarHBondContact OD1-NH2 3.32Å; D916-R938 IonicContact OD2-CZ 3.37Å; D916-R938 IonicContact OD2-NE 3.22Å; D916-R938 PolarHBondContact OD2-NE 3.12Å; D916-R938 IonicContact OD2-NH2 2.73Å; D916-R938 PolarHBondContact OD2-NH2 3.33Å
917	E	47.4	Very low	57.8	Low	167 Å²	167	100.8 Å²	100.8	78%	0.78	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-15.7	-175.7	-59.5	-164.7	152.7	0	0	116.9	T915	T915-E917 PolarHBondContact O-N 3.36Å
918	Q	45.1	Very low	54.7	Low	160.75 Å²	160.75	107.3 Å²	107.3	75%	0.751	55%	0.548	S	S	*	.	S	Bend	trans	-108.8	-8.2	176.8	-69.4	-169.4	-30.2	0	0	115.1	D916 S920	D916-Q918 PolarHBondContact O-N 2.92Å; Q918-S920 PolarHBondContact O-N 2.91Å
919	Q	43.8	Very low	51.8	Low	124.25 Å²	124.25	114.7 Å²	114.7	58%	0.581	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	23	-177.9	-104.4	-164.1	32	0	0	114.8	I914 K923 N936	I914-Q919 HydrophobicContact CG2-CG 4.31Å; Q919-K923 WeakPolarHBondContact O-CD 3.18Å; Q919-K923 VanDerWaalsContact O-CE 3.23Å; Q919-K923 WeakPolarHBondContact O-CE 3.25Å; Q919-K923 WeakPolarHBondContact O-CG 2.99Å; Q919-K923 PolarHBondContact O-NZ 2.68Å; Q919-N936 PolarHBondContact NE2-OD1 2.85Å
920	S	38.3	Very low	49	Very low	85.5 Å²	85.5	120.4 Å²	120.4	60%	0.598	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-28.5	179.8	59.6	0	0	0	0	114.8	Q918	Q918-S920 PolarHBondContact O-N 2.91Å
921	N	38.9	Very low	46.4	Very low	139.25 Å²	139.25	124.3 Å²	124.3	75%	0.745	65%	0.648	S	S	*	*	S	Bend	trans	-114.9	-1.4	-168.4	-72	-6.9	0	0	0	114.5	K923	N921-K923 PolarHBondContact O-N 2.89Å
922	E	46.4	Very low	44.1	Very low	183.25 Å²	183.25	130.4 Å²	130.4	86%	0.856	68%	0.68	S	S	*	*			trans	-119.4	59.1	171.7	-77.1	179.1	177.7	0	0	111.8	S924	E922-S924 VanDerWaalsContact C-N 3.34Å; E922-S924 PolarHBondContact O-N 3.44Å
923	K	40.5	Very low	42.2	Very low	173.75 Å²	173.75	132.1 Å²	132.1	76%	0.755	69%	0.69	S	S	*	*			trans	-106.9	51.6	176.4	-81.5	-174.6	176.3	169.7	0	112.7	Q919 N921	Q919-K923 WeakPolarHBondContact O-CD 3.18Å; Q919-K923 VanDerWaalsContact O-CE 3.23Å; Q919-K923 WeakPolarHBondContact O-CE 3.25Å; Q919-K923 WeakPolarHBondContact O-CG 2.99Å; Q919-K923 PolarHBondContact O-NZ 2.68Å; N921-K923 PolarHBondContact O-N 2.89Å
924	S	37.3	Very low	41.5	Very low	92.5 Å²	92.5	135.7 Å²	135.7	65%	0.647	71%	0.709	S	S	*	*			trans	-141.6	123.9	171	51	0	0	0	0	112.7	E922	E922-S924 VanDerWaalsContact C-N 3.34Å; E922-S924 PolarHBondContact O-N 3.44Å
925	N	36.8	Very low	41.2	Very low	147.25 Å²	147.25	136.7 Å²	136.7	79%	0.787	72%	0.715	S	S	*	*	S	Bend	trans	81.3	53.6	167.7	-59.1	-20.3	0	0	0	117.8
926	H	42.5	Very low	41.1	Very low	189.75 Å²	189.75	138 Å²	138	88%	0.878	72%	0.719	S	S	*	*				-143.6	134.5	118.6	-107.6	-76.6	0	0	0	112.8
927	H	41.5	Very low	41.8	Very low	163.75 Å²	163.75	138.5 Å²	138.5	76%	0.758	72%	0.718	S	S	*	*			trans	-109.1	151.8	178.5	-133.6	-72.9	0	0	0	110.2
928	N	34.6	Very low	42.9	Very low	136.5 Å²	136.5	135.7 Å²	135.7	73%	0.73	70%	0.7	S	S	*	*			trans	75.1	114.5	170.4	-49.4	-25.2	0	0	0	116.1
929	D	37.7	Very low	44.9	Very low	157 Å²	157	129.5 Å²	129.5	84%	0.84	68%	0.675	S	S	*	*				-150.9	136.4	104.9	-131.2	-13.4	0	0	0	112.6
930	T	38.6	Very low	47.3	Very low	118.5 Å²	118.5	124.3 Å²	124.3	73%	0.727	65%	0.65	S	S	*	*			trans	-150.4	102.9	173.9	-6.9	0	0	0	0	113.6
931	T	39.3	Very low	50	Low	109 Å²	109	121.7 Å²	121.7	67%	0.669	63%	0.629	S	S	*	*			trans	-128.5	58.3	158.6	42.1	0	0	0	0	116.4	N933	T931-N933 PolarHBondContact O-N 3.09Å; T931-N933 VanDerWaalsContact O-N 3.14Å
932	D	41	Very low	52.8	Low	131.25 Å²	131.25	115.6 Å²	115.6	70%	0.702	60%	0.596	S	S	*	*			trans	-19.6	104.6	163	-56	-33.2	0	0	0	115.8	D934	D932-D934 PolarHBondContact O-N 2.98Å; D932-D934 VanDerWaalsContact O-N 3.16Å
933	N	37.4	Very low	55.2	Low	144.25 Å²	144.25	106.9 Å²	106.9	77%	0.771	56%	0.555	S	S	*	*			trans	-128.9	69.5	145	-87.8	-73.9	0	0	0	110.7	T931 N935	T931-N933 PolarHBondContact O-N 3.09Å; T931-N933 VanDerWaalsContact O-N 3.14Å; N933-N935 VanDerWaalsContact C-N 3.35Å; N933-N935 PolarHBondContact O-N 3.02Å; N933-N935 PolarHBondContact O-ND2 2.81Å; N933-N935 VanDerWaalsContact O-ND2 3.1Å
934	D	42.5	Very low	57.9	Low	142 Å²	142	98.7 Å²	98.7	76%	0.759	52%	0.52	S	S	*	.			trans	-72.3	77.8	179.5	-103.1	-16.7	0	0	0	111.7	D932 N936	D932-D934 PolarHBondContact O-N 2.98Å; D932-D934 VanDerWaalsContact O-N 3.16Å; D934-N936 PolarHBondContact O-N 2.87Å
935	N	45.8	Very low	60.8	Low	126.5 Å²	126.5	94.4 Å²	94.4	68%	0.676	49%	0.489	S	S	*	.			trans	-81.2	81.1	168	-81.5	-27.7	0	0	0	109.4	N933 E937	N933-N935 VanDerWaalsContact C-N 3.35Å; N933-N935 PolarHBondContact O-N 3.02Å; N933-N935 PolarHBondContact O-ND2 2.81Å; N933-N935 VanDerWaalsContact O-ND2 3.1Å; N935-E937 HydrophobicContact CB-CB 4.32Å; N935-E937 HydrophobicContact CB-CG 4.3Å; N935-E937 PolarHBondContact ND2-OE1 3.04Å; N935-E937 PolarHBondContact O-N 2.91Å
936	N	44.4	Very low	63.8	Low	90.25 Å²	90.25	87.4 Å²	87.4	48%	0.483	45%	0.452	S	S	.	.			trans	-53.7	53.6	174.4	-140	3.8	0	0	0	110.7	I914 T915 Q919 D934 R938	I914-N936 PolarHBondContact O-ND2 3.09Å; T915-N936 HydrophobicContact CG2-CB 3.86Å; T915-N936 VanDerWaalsContact CG2-CG 3.4Å; Q919-N936 PolarHBondContact NE2-OD1 2.85Å; D934-N936 PolarHBondContact O-N 2.87Å; N936-R938 PolarHBondContact O-N 3.12Å
937	E	58.2	Low	66.4	Low	126.5 Å²	126.5	78.4 Å²	78.4	59%	0.591	41%	0.411	S	S	*	.			trans	-75.3	119.2	-176.3	-90.6	-174	163.3	0	0	110.4	S853 N935 C939	S853-E937 PolarHBondContact OG-OE1 2.95Å; S853-E937 VanDerWaalsContact OG-OE1 3.05Å; N935-E937 HydrophobicContact CB-CB 4.32Å; N935-E937 HydrophobicContact CB-CG 4.3Å; N935-E937 PolarHBondContact ND2-OE1 3.04Å; N935-E937 PolarHBondContact O-N 2.91Å; E937-C939 PolarHBondContact O-N 3.06Å; E937-C939 PolarHBondContact O-SG 3.01Å
938	R	71.2	Confident	69	Low	107.25 Å²	107.25	71.4 Å²	71.4	41%	0.405	38%	0.378	S	S	.	.			trans	-65.4	100	-179.1	-117.9	-178	-176.7	161.6	-4.2	110.1	S853 E859 R862 H911 N913 T915 D916 N936 F940	S853-R938 PolarHBondContact OG-O 3.08Å; E859-R938 VanDerWaalsContact CD-NH2 3.29Å; E859-R938 IonicContact OE1-CZ 2.85Å; E859-R938 IonicContact OE1-NH2 2.64Å; E859-R938 PolarHBondContact OE1-NH2 3.28Å; E859-R938 IonicContact OE2-CZ 2.76Å; E859-R938 IonicContact OE2-NH1 3.84Å; E859-R938 PolarHBondContact OE2-NH1 2.94Å; E859-R938 IonicContact OE2-NH2 3.76Å; E859-R938 PolarHBondContact OE2-NH2 3.27Å; R862-R938 VanDerWaalsContact CZ-NH2 3.26Å; H911-R938 HydrophobicContact CB-CG 4.21Å; H911-R938 VanDerWaalsContact CD2-CZ 3.47Å; H911-R938 PolarHBondContact CD2-NE 2.96Å; H911-R938 PolarHBondContact CD2-NH2 2.86Å; H911-R938 PolarHBondContact NE2-NE 3.37Å; H911-R938 PolarHBondContact NE2-NH2 3.45Å; N913-R938 VanDerWaalsContact OD1-CZ 3.23Å; N913-R938 PolarHBondContact OD1-NH1 2.89Å; N913-R938 PolarHBondContact OD1-NH2 3.49Å; T915-R938 PolarHBondContact OG1-NH1 3.21Å; D916-R938 IonicContact OD1-CZ 3.17Å; D916-R938 IonicContact OD1-NE 3.17Å; D916-R938 IonicContact OD1-NH2 2.71Å; D916-R938 PolarHBondContact OD1-NH2 3.32Å; D916-R938 IonicContact OD2-CZ 3.37Å; D916-R938 IonicContact OD2-NE 3.22Å; D916-R938 PolarHBondContact OD2-NE 3.12Å; D916-R938 IonicContact OD2-NH2 2.73Å; D916-R938 PolarHBondContact OD2-NH2 3.33Å; N936-R938 PolarHBondContact O-N 3.12Å; R938-F940 HydrophobicContact CB-CE2 4.06Å; R938-F940 HydrophobicContact CB-CZ 4.46Å; R938-F940 HydrophobicContact CG-CD2 4.42Å; R938-F940 HydrophobicContact CG-CE2 3.83Å; R938-F940 HydrophobicContact CG-CZ 4.02Å; R938-F940 VanDerWaalsContact NH2-CZ 3.28Å; R938-F940 VanDerWaalsContact O-CD2 3.32Å; R938-F940 WeakPolarHBondContact O-CD2 3.37Å; R938-F940 WeakPolarHBondContact O-CE2 3.28Å
939	C	86	Confident	71.8	Confident	31 Å²	31	67.9 Å²	67.9	21%	0.209	36%	0.357	C	S	.	.			trans	-89	139.3	175.6	-69.2	0	0	0	0	111.2	F832 H911 E937	F832-C939 HydrophobicContact CE1-CB 3.92Å; F832-C939 HydrophobicContact CZ-CB 3.85Å; H911-C939 VanDerWaalsContact CA-O 3.28Å; H911-C939 WeakPolarHBondContact CA-O 3.35Å; H911-C939 WeakPolarHBondContact CB-O 3.26Å; E937-C939 PolarHBondContact O-N 3.06Å; E937-C939 PolarHBondContact O-SG 3.01Å
940	F	94.6	Very high	74.5	Confident	15 Å²	15	64 Å²	64	7%	0.066	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	98.8	-177.2	-63.8	-107.5	0	0	0	108.8	S853 F854 E859 S867 F869 T909 I910 H911 R938	S853-F940 PolarHBondContact O-N 2.99Å; F854-F940 HydrophobicContact CB-CB 3.91Å; F854-F940 HydrophobicContact CB-CD2 3.6Å; F854-F940 HydrophobicContact CB-CE2 4.23Å; F854-F940 HydrophobicContact CB-CG 3.93Å; F854-F940 HydrophobicContact CD1-CE2 4.49Å; F854-F940 HydrophobicContact CG-CD2 4.45Å; F854-F940 HydrophobicContact CG-CE2 4.42Å; E859-F940 WeakPolarHBondContact OE1-CE1 3.43Å; S867-F940 WeakPolarHBondContact OG-CE1 3.49Å; F869-F940 HydrophobicContact CE2-CB 4.32Å; F869-F940 AromaticContact CE2-CD1 3.61Å; F869-F940 HydrophobicContact CE2-CD1 3.61Å; F869-F940 AromaticContact CE2-CE1 3.76Å; F869-F940 HydrophobicContact CE2-CE1 4.04Å; F869-F940 HydrophobicContact CE2-CG 4.12Å; F869-F940 AromaticContact CZ-CD1 3.72Å; F869-F940 HydrophobicContact CZ-CD1 3.72Å; F869-F940 HydrophobicContact CZ-CD2 4.48Å; F869-F940 AromaticContact CZ-CE1 3.78Å; F869-F940 HydrophobicContact CZ-CE1 3.78Å; F869-F940 VanDerWaalsContact CZ-CE1 3.49Å; F869-F940 HydrophobicContact CZ-CE2 4.37Å; F869-F940 HydrophobicContact CZ-CG 4.08Å; F869-F940 AromaticContact CZ-CZ 3.84Å; F869-F940 HydrophobicContact CZ-CZ 4.22Å; T909-F940 HydrophobicContact CG2-CB 4.2Å; I910-F940 CarbonylContact O-C 3.41Å; I910-F940 WeakPolarHBondContact O-CA 3.38Å; H911-F940 HydrophobicContact CB-CD1 3.96Å; H911-F940 HydrophobicContact CB-CE1 4.2Å; H911-F940 HydrophobicContact CB-CG 4.25Å; H911-F940 AromaticContact CD2-CD1 3.7Å; H911-F940 AromaticContact CD2-CE1 3.51Å; H911-F940 VanDerWaalsContact CD2-CE1 3.45Å; H911-F940 WeakPolarHBondContact CD2-CE1 3.21Å; H911-F940 AromaticContact CG-CD1 3.97Å; H911-F940 AromaticContact CG-CE1 3.85Å; H911-F940 AromaticContact ND1-CD1 3.56Å; H911-F940 AromaticContact ND1-CE1 3.37Å; H911-F940 WeakPolarHBondContact ND1-CE1 3.24Å; R938-F940 HydrophobicContact CB-CE2 4.06Å; R938-F940 HydrophobicContact CB-CZ 4.46Å; R938-F940 HydrophobicContact CG-CD2 4.42Å; R938-F940 HydrophobicContact CG-CE2 3.83Å; R938-F940 HydrophobicContact CG-CZ 4.02Å; R938-F940 VanDerWaalsContact NH2-CZ 3.28Å; R938-F940 VanDerWaalsContact O-CD2 3.32Å; R938-F940 WeakPolarHBondContact O-CD2 3.37Å; R938-F940 WeakPolarHBondContact O-CE2 3.28Å
941	H	94.9	Very high	76.9	Confident	31.75 Å²	31.75	65.7 Å²	65.7	15%	0.147	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	129.3	-174.1	-54.6	-85.5	0	0	0	110.6	E831 F832 T909 I910 V943	E831-H941 IonicContact OE2-CE1 3.53Å; E831-H941 IonicContact OE2-CG 3.54Å; E831-H941 IonicContact OE2-ND1 3.23Å; E831-H941 PolarHBondContact OE2-ND1 3.07Å; F832-H941 AromaticContact CE1-ND1 3.92Å; F832-H941 AromaticContact CZ-CE1 3.92Å; F832-H941 AromaticContact CZ-ND1 3.99Å; T909-H941 CarbonylContact C-O 3.53Å; T909-H941 WeakPolarHBondContact CA-O 3.2Å; T909-H941 WeakPolarHBondContact CB-O 3.35Å; I910-H941 HydrophobicContact CG1-CB 4.12Å; I910-H941 PolarHBondContact N-O 3.17Å; I910-H941 PolarHBondContact O-N 3.06Å; H941-V943 PolarHBondContact O-N 3.09Å
942	L	97.2	Very high	79.2	Confident	9.75 Å²	9.75	61.6 Å²	61.6	5%	0.051	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	125.4	178.3	177	63.8	0	0	0	111.6	L834 L883 L886 V907 L964 Y967	L834-L942 HydrophobicContact CD1-CD2 4.26Å; L834-L942 HydrophobicContact CD2-CD2 3.75Å; L883-L942 HydrophobicContact CD1-CD2 4.13Å; L886-L942 HydrophobicContact CD2-CD2 4.02Å; V907-L942 HydrophobicContact CG1-CD1 3.39Å; L942-L964 HydrophobicContact CB-CD1 4.46Å; L942-L964 HydrophobicContact CD2-CD1 3.94Å; L942-L964 HydrophobicContact CG-CD1 3.82Å; L942-Y967 VanDerWaalsContact O-CE2 3.26Å; L942-Y967 WeakPolarHBondContact O-CE2 3.43Å
943	V	96.9	Very high	81.4	Confident	0.75 Å²	0.75	63.5 Å²	63.5	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-43.8	173.7	171.3	0	0	0	0	111.5	V908 I910 H941 L964 Y967 Y972	V908-V943 HydrophobicContact CG1-CB 4.47Å; V908-V943 PolarHBondContact O-N 3.1Å; I910-V943 HydrophobicContact CB-CG2 4.3Å; I910-V943 HydrophobicContact CD1-CG2 3.92Å; I910-V943 HydrophobicContact CG1-CG2 3.72Å; I910-V943 HydrophobicContact CG2-CG2 3.87Å; H941-V943 PolarHBondContact O-N 3.09Å; V943-L964 WeakPolarHBondContact O-CB 3.32Å; V943-L964 WeakPolarHBondContact O-CG 3.43Å; V943-L964 PolarHBondContact O-N 3.1Å; V943-Y967 HydrophobicContact CB-CD2 4.2Å; V943-Y967 HydrophobicContact CB-CE2 4.39Å; V943-Y967 HydrophobicContact CB-CG 4.38Å; V943-Y967 HydrophobicContact CG1-CD1 4.31Å; V943-Y967 HydrophobicContact CG1-CD2 4.06Å; V943-Y967 HydrophobicContact CG1-CG 3.87Å; V943-Y967 HydrophobicContact CG2-CD1 4.19Å; V943-Y967 HydrophobicContact CG2-CD2 4.28Å; V943-Y967 HydrophobicContact CG2-CE1 4.12Å; V943-Y967 HydrophobicContact CG2-CE2 4.23Å; V943-Y967 HydrophobicContact CG2-CG 4.29Å; V943-Y972 HydrophobicContact CG1-CD1 3.74Å; V943-Y972 HydrophobicContact CG1-CD2 3.68Å; V943-Y972 HydrophobicContact CG1-CE1 4.11Å; V943-Y972 HydrophobicContact CG1-CE2 4.06Å; V943-Y972 HydrophobicContact CG1-CG 3.51Å; V943-Y972 VanDerWaalsContact CG1-CG 3.49Å
944	G	97.8	Very high	83.8	Confident	1.25 Å²	1.25	63 Å²	63	1%	0.013	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	179.7	-174.2	0	0	0	0	0	111.3	V908 L962	V908-G944 PolarHBondContact N-O 3.21Å; V908-G944 PolarHBondContact O-N 3.08Å; G944-L962 CarbonylContact C-O 3.56Å; G944-L962 WeakPolarHBondContact CA-O 3.34Å
945	Y	98.5	Very high	86.1	Confident	2.5 Å²	2.5	61.9 Å²	61.9	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	167.1	176.6	81.7	-71.9	0	0	0	111.1	L883 A887 F905 Y906 L962	L883-Y945 HydrophobicContact CD1-CD1 3.8Å; L883-Y945 HydrophobicContact CD1-CE1 4.07Å; L883-Y945 HydrophobicContact CD1-CG 4.22Å; L883-Y945 HydrophobicContact CD2-CD1 4.29Å; L883-Y945 HydrophobicContact CD2-CD2 3.91Å; L883-Y945 HydrophobicContact CD2-CE2 4.33Å; L883-Y945 HydrophobicContact CD2-CG 3.9Å; L883-Y945 HydrophobicContact CG-CD1 4.14Å; L883-Y945 HydrophobicContact CG-CD2 4.39Å; L883-Y945 HydrophobicContact CG-CE1 4.18Å; L883-Y945 HydrophobicContact CG-CE2 4.45Å; L883-Y945 HydrophobicContact CG-CG 4.26Å; A887-Y945 HydrophobicContact CB-CE1 3.71Å; A887-Y945 VanDerWaalsContact CB-OH 3.31Å; A887-Y945 WeakPolarHBondContact CB-OH 3.39Å; F905-Y945 AromaticContact CD1-CD2 3.84Å; F905-Y945 HydrophobicContact CD1-CD2 3.84Å; F905-Y945 AromaticContact CD1-CE2 3.73Å; F905-Y945 HydrophobicContact CD1-CE2 3.73Å; F905-Y945 HydrophobicContact CE1-CE2 4.09Å; Y906-Y945 CarbonylContact O-C 3.58Å; Y906-Y945 WeakPolarHBondContact O-CA 3.39Å; Y906-Y945 WeakPolarHBondContact O-CB 3.27Å; Y945-L962 HydrophobicContact CD1-CB 4.15Å; Y945-L962 HydrophobicContact CE1-CB 3.84Å; Y945-L962 HydrophobicContact CE1-CD2 4.34Å; Y945-L962 PolarHBondContact N-O 2.9Å; Y945-L962 PolarHBondContact O-N 3.13Å
946	F	98.2	Very high	88.4	Confident	1 Å²	1	57.6 Å²	57.6	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152	150.9	71.1	-88.4	0	0	0	111.4	Y906 K948 L958 C960 I961 L976 F979 L983	Y906-F946 AromaticContact CD2-CD2 3.88Å; Y906-F946 HydrophobicContact CD2-CD2 3.88Å; Y906-F946 HydrophobicContact CD2-CE1 4.19Å; Y906-F946 AromaticContact CD2-CE2 3.28Å; Y906-F946 HydrophobicContact CD2-CE2 3.28Å; Y906-F946 AromaticContact CD2-CZ 3.45Å; Y906-F946 HydrophobicContact CD2-CZ 3.45Å; Y906-F946 VanDerWaalsContact CD2-CZ 3.45Å; Y906-F946 AromaticContact CE2-CE2 3.9Å; Y906-F946 HydrophobicContact CE2-CE2 3.93Å; Y906-F946 HydrophobicContact CE2-CZ 4.22Å; Y906-F946 HydrophobicContact CG-CE1 4.04Å; Y906-F946 AromaticContact CG-CE2 3.96Å; Y906-F946 HydrophobicContact CG-CE2 3.98Å; Y906-F946 AromaticContact CG-CZ 3.66Å; Y906-F946 HydrophobicContact CG-CZ 3.66Å; Y906-F946 PolarHBondContact N-O 3.12Å; Y906-F946 PolarHBondContact O-N 3.1Å; F946-K948 HydrophobicContact CE2-CB 4.45Å; F946-L958 HydrophobicContact CB-CD1 3.39Å; F946-L958 VanDerWaalsContact CB-CD1 3.42Å; F946-L958 HydrophobicContact CB-CG 3.9Å; F946-L958 HydrophobicContact CD1-CD1 4.32Å; F946-L958 HydrophobicContact CD2-CB 4.33Å; F946-L958 HydrophobicContact CD2-CD1 3.63Å; F946-L958 HydrophobicContact CD2-CG 3.96Å; F946-L958 HydrophobicContact CE2-CD1 4.44Å; F946-L958 HydrophobicContact CG-CD1 3.55Å; F946-L958 VanDerWaalsContact CG-CD1 3.5Å; F946-L958 HydrophobicContact CG-CG 4.23Å; F946-C960 CarbonylContact C-O 3.54Å; F946-C960 WeakPolarHBondContact CA-O 3.24Å; F946-C960 VanDerWaalsContact CB-O 3.3Å; F946-C960 WeakPolarHBondContact CB-O 3.34Å; F946-I961 HydrophobicContact CB-CB 4.33Å; F946-I961 HydrophobicContact CB-CG1 4.46Å; F946-L976 HydrophobicContact CD1-CD2 3.84Å; F946-F979 AromaticContact CE1-CD1 3.91Å; F946-F979 HydrophobicContact CE1-CD1 3.91Å; F946-F979 HydrophobicContact CZ-CD1 4.14Å; F946-L983 HydrophobicContact CZ-CD1 3.98Å
947	S	97.4	Very high	90.9	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	149	169.2	56.3	0	0	0	0	110.7	L904 S959 C960	L904-S947 CarbonylContact O-C 3.51Å; L904-S947 VanDerWaalsContact O-CA 3.23Å; L904-S947 WeakPolarHBondContact O-CA 3.27Å; L904-S947 WeakPolarHBondContact O-CB 3.34Å; S947-S959 PolarHBondContact O-N 3.08Å; S947-C960 PolarHBondContact N-O 3.27Å; S947-C960 WeakPolarHBondContact OG-CB 3.26Å; S947-C960 PolarHBondContact OG-N 2.98Å
948	K	96.2	Very high	92.7	Very high	17.25 Å²	17.25	47.5 Å²	47.5	8%	0.075	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.7	177.5	179.6	-178.7	-178.9	171.4	0	109.1	F903 L904 Y906 F946 N957 E987	F903-K948 CarbonylContact C-O 3.44Å; F903-K948 WeakPolarHBondContact CA-O 3.25Å; L904-K948 PolarHBondContact N-O 2.97Å; L904-K948 PolarHBondContact O-N 3.08Å; Y906-K948 HydrophobicContact CE2-CB 4.11Å; Y906-K948 HydrophobicContact CE2-CD 4.37Å; F946-K948 HydrophobicContact CE2-CB 4.45Å; K948-N957 VanDerWaalsContact CD-O 3.31Å; K948-N957 WeakPolarHBondContact CD-O 3.41Å; K948-N957 WeakPolarHBondContact CG-O 3.34Å; K948-E987 IonicContact NZ-OE1 3.16Å; K948-E987 PolarHBondContact NZ-OE1 3.06Å; K948-E987 IonicContact NZ-OE2 3.32Å; K948-E987 PolarHBondContact NZ-OE2 3.15Å
949	E	94.5	Very high	93.8	Very high	61.5 Å²	61.5	43 Å²	43	29%	0.287	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	136	170.1	-66.5	-177.4	128.1	0	0	110.7	F903 R951 S952 S959	F903-E949 HydrophobicContact CD1-CG 4.09Å; F903-E949 HydrophobicContact CE1-CG 3.6Å; F903-E949 HydrophobicContact CZ-CG 4.37Å; E949-R951 PolarHBondContact O-N 3.28Å; E949-R951 VanDerWaalsContact O-N 3.17Å; E949-S952 VanDerWaalsContact OE2-CA 3.24Å; E949-S952 WeakPolarHBondContact OE2-CA 3.45Å; E949-S952 WeakPolarHBondContact OE2-CB 3.34Å; E949-S952 PolarHBondContact OE2-OG 3.16Å; E949-S959 PolarHBondContact N-OG 2.97Å
950	K	93	Very high	94.4	Very high	76.75 Å²	76.75	42.7 Å²	42.7	33%	0.334	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.3	174	-71.7	169.6	178.7	175.5	0	113.5	D872 E901 P902 F903 L904	D872-K950 VanDerWaalsContact CG-NZ 3.31Å; D872-K950 WeakPolarHBondContact OD1-CE 3.31Å; D872-K950 IonicContact OD1-NZ 3.19Å; D872-K950 PolarHBondContact OD1-NZ 3.25Å; D872-K950 WeakPolarHBondContact OD2-CE 3.3Å; D872-K950 IonicContact OD2-NZ 3.3Å; D872-K950 PolarHBondContact OD2-NZ 3.02Å; E901-K950 WeakPolarHBondContact O-CE 3.41Å; E901-K950 PolarHBondContact O-NZ 3.05Å; P902-K950 WeakPolarHBondContact O-CB 3.44Å; P902-K950 VanDerWaalsContact O-CG 3.31Å; P902-K950 WeakPolarHBondContact O-CG 3.3Å; P902-K950 PolarHBondContact O-N 2.95Å; F903-K950 WeakPolarHBondContact O-CE 3.32Å; L904-K950 HydrophobicContact CD2-CG 4.17Å; L904-K950 HydrophobicContact CG-CG 3.89Å
951	R	88.8	Confident	94.5	Very high	153.25 Å²	153.25	43.4 Å²	43.4	58%	0.578	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-151.1	85.1	177.6	-60.3	-172	-162.9	-176.5	3.1	109.3	E949 I953 H1128 Q1130	E949-R951 PolarHBondContact O-N 3.28Å; E949-R951 VanDerWaalsContact O-N 3.17Å; R951-I953 PolarHBondContact O-N 3.19Å; R951-H1128 PolarHBondContact NH2-CD2 3.27Å; R951-H1128 VanDerWaalsContact NH2-CD2 3.31Å; R951-H1128 PolarHBondContact NH2-CE1 3.21Å; R951-H1128 PolarHBondContact NH2-ND1 3.16Å; R951-H1128 PolarHBondContact NH2-NE2 3.1Å; R951-Q1130 VanDerWaalsContact NH2-OE1 3.13Å
952	S	88.4	Confident	94.6	Very high	23.25 Å²	23.25	42.3 Å²	42.3	16%	0.163	20%	0.198	C	C	.	.			trans	-83.7	116.7	176.5	-163.6	0	0	0	0	111.3	E949 Q954 K955 Y956	E949-S952 VanDerWaalsContact OE2-CA 3.24Å; E949-S952 WeakPolarHBondContact OE2-CA 3.45Å; E949-S952 WeakPolarHBondContact OE2-CB 3.34Å; E949-S952 PolarHBondContact OE2-OG 3.16Å; S952-Q954 PolarHBondContact O-N 3.1Å; S952-K955 PolarHBondContact O-N 3.13Å; S952-K955 VanDerWaalsContact O-N 3.09Å; S952-Y956 PolarHBondContact OG-N 3.19Å; S952-Y956 VanDerWaalsContact OG-N 3.15Å
953	I	87.4	Confident	94.7	Very high	171.25 Å²	171.25	42.7 Å²	42.7	88%	0.878	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-32.2	175.7	-60.1	173.5	0	0	0	110.5	R951 K955	R951-I953 PolarHBondContact O-N 3.19Å; I953-K955 VanDerWaalsContact C-N 3.3Å; I953-K955 PolarHBondContact O-N 3.11Å
954	Q	88.6	Confident	94.7	Very high	132.75 Å²	132.75	42.8 Å²	42.8	62%	0.62	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	11.4	178.5	-65.5	178.8	-38.5	0	0	112.8	S952 Y956	S952-Q954 PolarHBondContact O-N 3.1Å; Q954-Y956 HydrophobicContact CB-CD1 4.39Å; Q954-Y956 HydrophobicContact CB-CD2 4.05Å; Q954-Y956 HydrophobicContact CB-CE1 4.1Å; Q954-Y956 HydrophobicContact CB-CE2 3.74Å; Q954-Y956 HydrophobicContact CB-CG 4.36Å; Q954-Y956 HydrophobicContact CG-CE2 4.44Å; Q954-Y956 PolarHBondContact O-N 3Å; Q954-Y956 PolarHBondContact OE1-OH 3.27Å
955	K	89.3	Confident	94.6	Very high	118.5 Å²	118.5	44 Å²	44	52%	0.515	21%	0.209	S	C	.	.			trans	53.1	31.8	-177.5	-59.8	-169.5	177.4	-170.1	0	114.3	S952 I953 N957 Q989 G991	S952-K955 PolarHBondContact O-N 3.13Å; S952-K955 VanDerWaalsContact O-N 3.09Å; I953-K955 VanDerWaalsContact C-N 3.3Å; I953-K955 PolarHBondContact O-N 3.11Å; K955-N957 PolarHBondContact O-N 3.29Å; K955-Q989 HydrophobicContact CD-CG 4.26Å; K955-G991 WeakPolarHBondContact O-CA 3.19Å
956	Y	95.3	Very high	94.4	Very high	36.75 Å²	36.75	45.6 Å²	45.6	14%	0.144	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126.2	175.8	-62.3	-37.7	0	0	0	111	S952 Q954 L958 S992 P993 E994	S952-Y956 PolarHBondContact OG-N 3.19Å; S952-Y956 VanDerWaalsContact OG-N 3.15Å; Q954-Y956 HydrophobicContact CB-CD1 4.39Å; Q954-Y956 HydrophobicContact CB-CD2 4.05Å; Q954-Y956 HydrophobicContact CB-CE1 4.1Å; Q954-Y956 HydrophobicContact CB-CE2 3.74Å; Q954-Y956 HydrophobicContact CB-CG 4.36Å; Q954-Y956 HydrophobicContact CG-CE2 4.44Å; Q954-Y956 PolarHBondContact O-N 3Å; Q954-Y956 PolarHBondContact OE1-OH 3.27Å; Y956-L958 VanDerWaalsContact C-N 3.27Å; Y956-S992 CarbonylContact C-O 3.45Å; Y956-S992 WeakPolarHBondContact CA-O 3.34Å; Y956-S992 WeakPolarHBondContact CD1-O 3.37Å; Y956-P993 WeakPolarHBondContact CD1-O 3.42Å; Y956-P993 WeakPolarHBondContact CE1-O 3.38Å; Y956-E994 HydrophobicContact CD2-CB 3.71Å; Y956-E994 HydrophobicContact CD2-CG 3.89Å; Y956-E994 HydrophobicContact CE2-CB 4.05Å; Y956-E994 HydrophobicContact CE2-CG 3.89Å; Y956-E994 HydrophobicContact CG-CB 4.15Å
957	N	95.9	Very high	94.3	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-8.5	175.2	67.6	-2	0	0	0	112.6	K948 K955 F981 S984 S992	K948-N957 VanDerWaalsContact CD-O 3.31Å; K948-N957 WeakPolarHBondContact CD-O 3.41Å; K948-N957 WeakPolarHBondContact CG-O 3.34Å; K955-N957 PolarHBondContact O-N 3.29Å; N957-F981 VanDerWaalsContact ND2-CD1 3.32Å; N957-F981 WeakPolarHBondContact ND2-CD1 3.31Å; N957-F981 VanDerWaalsContact ND2-CE1 3.31Å; N957-F981 WeakPolarHBondContact ND2-CE1 3.38Å; N957-S984 VanDerWaalsContact CB-OG 3.27Å; N957-S984 WeakPolarHBondContact CB-OG 3.36Å; N957-S984 PolarHBondContact ND2-OG 3.12Å; N957-S992 PolarHBondContact N-O 3.14Å; N957-S992 VanDerWaalsContact N-O 3.12Å; N957-S992 PolarHBondContact OD1-O 2.95Å
958	L	96.5	Very high	94.1	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	130.1	-176.1	-175.7	144	0	0	0	110.7	F946 Y956 I961 P993 E994 Y1005	F946-L958 HydrophobicContact CB-CD1 3.39Å; F946-L958 VanDerWaalsContact CB-CD1 3.42Å; F946-L958 HydrophobicContact CB-CG 3.9Å; F946-L958 HydrophobicContact CD1-CD1 4.32Å; F946-L958 HydrophobicContact CD2-CB 4.33Å; F946-L958 HydrophobicContact CD2-CD1 3.63Å; F946-L958 HydrophobicContact CD2-CG 3.96Å; F946-L958 HydrophobicContact CE2-CD1 4.44Å; F946-L958 HydrophobicContact CG-CD1 3.55Å; F946-L958 VanDerWaalsContact CG-CD1 3.5Å; F946-L958 HydrophobicContact CG-CG 4.23Å; Y956-L958 VanDerWaalsContact C-N 3.27Å; L958-I961 HydrophobicContact CD1-CB 4.11Å; L958-I961 HydrophobicContact CD1-CD1 4.28Å; L958-I961 HydrophobicContact CD1-CG1 4.47Å; L958-I961 HydrophobicContact CD2-CB 3.93Å; L958-I961 HydrophobicContact CD2-CG2 4.06Å; L958-I961 HydrophobicContact CG-CB 4.47Å; L958-P993 HydrophobicContact CD2-CB 4.23Å; L958-P993 CarbonylContact O-C 3.48Å; L958-E994 WeakPolarHBondContact O-CB 3.41Å; L958-E994 PolarHBondContact O-N 3.04Å; L958-Y1005 WeakPolarHBondContact CD1-OH 3.35Å
959	S	95.4	Very high	93.8	Very high	12 Å²	12	56.8 Å²	56.8	8%	0.084	27%	0.268	C	S	.	.	S	Bend	trans	-102.6	-41.1	-179.8	-62.3	0	0	0	0	113.7	S947 E949 E994	S947-S959 PolarHBondContact O-N 3.08Å; E949-S959 PolarHBondContact N-OG 2.97Å; S959-E994 WeakPolarHBondContact CA-OE2 3.44Å; S959-E994 WeakPolarHBondContact CB-OE2 3.37Å; S959-E994 PolarHBondContact OG-OE2 3.21Å
960	C	96.8	Very high	93.6	Very high	24 Å²	24	58.4 Å²	58.4	16%	0.162	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	142.4	175.5	-68.8	0	0	0	0	108.3	L891 F946 S947	L891-C960 HydrophobicContact CD1-CB 4.26Å; F946-C960 CarbonylContact C-O 3.54Å; F946-C960 WeakPolarHBondContact CA-O 3.24Å; F946-C960 VanDerWaalsContact CB-O 3.3Å; F946-C960 WeakPolarHBondContact CB-O 3.34Å; S947-C960 PolarHBondContact N-O 3.27Å; S947-C960 WeakPolarHBondContact OG-CB 3.26Å; S947-C960 PolarHBondContact OG-N 2.98Å
961	I	97.7	Very high	93.6	Very high	29.5 Å²	29.5	55.8 Å²	55.8	15%	0.151	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.7	174.3	-176.9	169.3	0	0	0	109.5	F946 L958 L976 I977	F946-I961 HydrophobicContact CB-CB 4.33Å; F946-I961 HydrophobicContact CB-CG1 4.46Å; L958-I961 HydrophobicContact CD1-CB 4.11Å; L958-I961 HydrophobicContact CD1-CD1 4.28Å; L958-I961 HydrophobicContact CD1-CG1 4.47Å; L958-I961 HydrophobicContact CD2-CB 3.93Å; L958-I961 HydrophobicContact CD2-CG2 4.06Å; L958-I961 HydrophobicContact CG-CB 4.47Å; I961-L976 HydrophobicContact CD1-CB 3.68Å; I961-L976 HydrophobicContact CD1-CD1 4.32Å; I961-L976 HydrophobicContact CG1-CB 4.26Å; I961-L976 HydrophobicContact CG1-CD1 4.11Å; I961-I977 HydrophobicContact CD1-CD1 4.44Å; I961-I977 HydrophobicContact CD1-CG1 3.78Å
962	L	97.7	Very high	94	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.052	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	129.4	174.3	179.3	62.2	0	0	0	111.5	A887 F890 L891 G944 Y945 L964	A887-L962 HydrophobicContact CB-CD2 3.86Å; F890-L962 HydrophobicContact CB-CD1 3.73Å; F890-L962 HydrophobicContact CB-CD2 4.16Å; F890-L962 HydrophobicContact CD2-CD2 4.15Å; L891-L962 HydrophobicContact CD1-CB 4.4Å; L891-L962 HydrophobicContact CD2-CD1 4.39Å; L891-L962 HydrophobicContact CG-CD1 4.48Å; G944-L962 CarbonylContact C-O 3.56Å; G944-L962 WeakPolarHBondContact CA-O 3.34Å; Y945-L962 HydrophobicContact CD1-CB 4.15Å; Y945-L962 HydrophobicContact CE1-CB 3.84Å; Y945-L962 HydrophobicContact CE1-CD2 4.34Å; Y945-L962 PolarHBondContact N-O 2.9Å; Y945-L962 PolarHBondContact O-N 3.13Å; L962-L964 HydrophobicContact CD2-CD2 4.19Å
963	V	97.8	Very high	94.3	Very high	17 Å²	17	49.5 Å²	49.5	10%	0.103	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.3	156.9	-179.6	0	0	0	0	107.3	Y967 Q968 L976	V963-Y967 WeakPolarHBondContact CG1-O 3.31Å; V963-Q968 HydrophobicContact CB-CG 4.31Å; V963-Q968 HydrophobicContact CG1-CG 4.09Å; V963-Q968 PolarHBondContact O-NE2 3.12Å; V963-Q968 VanDerWaalsContact O-NE2 3.13Å; V963-L976 HydrophobicContact CG2-CD1 3.59Å
964	L	97	Very high	94.7	Very high	3.75 Å²	3.75	42.8 Å²	42.8	2%	0.02	21%	0.211	C	C	.	.			trans	-61.9	143	179.1	-65.5	169.9	0	0	0	110.1	L804 L886 F890 L942 V943 L962 P966 Y967	L804-L964 HydrophobicContact CD2-CD1 3.65Å; L804-L964 HydrophobicContact CD2-CD2 4.47Å; L886-L964 HydrophobicContact CD2-CD2 4.3Å; L886-L964 HydrophobicContact CG-CD2 4.33Å; F890-L964 HydrophobicContact CD2-CD2 4.38Å; F890-L964 HydrophobicContact CE2-CD2 4.29Å; L942-L964 HydrophobicContact CB-CD1 4.46Å; L942-L964 HydrophobicContact CD2-CD1 3.94Å; L942-L964 HydrophobicContact CG-CD1 3.82Å; V943-L964 WeakPolarHBondContact O-CB 3.32Å; V943-L964 WeakPolarHBondContact O-CG 3.43Å; V943-L964 PolarHBondContact O-N 3.1Å; L962-L964 HydrophobicContact CD2-CD2 4.19Å; L964-P966 VanDerWaalsContact C-CD 3.42Å; L964-P966 VanDerWaalsContact C-N 3.35Å; L964-P966 WeakPolarHBondContact O-CD 3.19Å; L964-P966 VanDerWaalsContact O-N 3.1Å; L964-Y967 HydrophobicContact CB-CD2 4.18Å; L964-Y967 PolarHBondContact O-N 3.01Å
965	P	96.2	Very high	95.2	Very high	27 Å²	27	36.6 Å²	36.6	18%	0.175	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-46.4	-42.4	-173.2	-30.7	36	0	0	0	117.2	I809 W812 F890 Y967 Q968	I809-P965 HydrophobicContact CG2-CB 4.07Å; I809-P965 HydrophobicContact CG2-CG 3.9Å; W812-P965 HydrophobicContact CH2-CB 4.25Å; W812-P965 HydrophobicContact CH2-CG 3.75Å; W812-P965 HydrophobicContact CZ2-CB 3.82Å; W812-P965 HydrophobicContact CZ2-CG 4Å; W812-P965 VanDerWaalsContact CZ2-CG 3.5Å; F890-P965 HydrophobicContact CD1-CG 3.66Å; F890-P965 HydrophobicContact CE1-CG 3.62Å; F890-P965 HydrophobicContact CG-CG 4.29Å; F890-P965 HydrophobicContact CZ-CG 4.21Å; P965-Y967 PolarHBondContact O-N 3.15Å; P965-Y967 VanDerWaalsContact O-N 3.15Å; P965-Q968 PolarHBondContact O-N 3.08Å; P965-Q968 VanDerWaalsContact O-N 3.15Å
966	P	94.7	Very high	95.6	Very high	34.25 Å²	34.25	31 Å²	31	22%	0.222	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-64.9	-13.6	179.2	1.2	-0.4	0	0	0	115.7	Y807 I809 L964 Q970	Y807-P966 HydrophobicContact CD1-CB 3.64Å; Y807-P966 VanDerWaalsContact CD1-CB 3.49Å; Y807-P966 HydrophobicContact CD1-CG 3.94Å; Y807-P966 HydrophobicContact CD2-CB 4.21Å; Y807-P966 HydrophobicContact CD2-CG 4.02Å; Y807-P966 HydrophobicContact CE1-CB 3.62Å; Y807-P966 VanDerWaalsContact CE1-CB 3.46Å; Y807-P966 HydrophobicContact CE1-CG 4.32Å; Y807-P966 HydrophobicContact CE2-CB 4.19Å; Y807-P966 HydrophobicContact CE2-CG 4.32Å; Y807-P966 HydrophobicContact CG-CB 3.94Å; Y807-P966 HydrophobicContact CG-CG 3.78Å; I809-P966 HydrophobicContact CD1-CG 3.91Å; I809-P966 HydrophobicContact CG1-CG 4.05Å; L964-P966 VanDerWaalsContact C-CD 3.42Å; L964-P966 VanDerWaalsContact C-N 3.35Å; L964-P966 WeakPolarHBondContact O-CD 3.19Å; L964-P966 VanDerWaalsContact O-N 3.1Å; P966-Q970 PolarHBondContact O-NE2 3.11Å
967	Y	95.6	Very high	95.7	Very high	14.25 Å²	14.25	29.4 Å²	29.4	6%	0.056	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-111	7.2	179.6	-53.3	-73	0	0	0	113.2	Y807 I910 L942 V943 V963 L964 P965 Y972	Y807-Y967 HydrophobicContact CE2-CE1 4.42Å; Y807-Y967 HydrophobicContact CE2-CE2 4.4Å; Y807-Y967 AromaticContact CE2-CZ 3.93Å; I910-Y967 HydrophobicContact CD1-CD1 4.39Å; I910-Y967 HydrophobicContact CD1-CE1 3.87Å; L942-Y967 VanDerWaalsContact O-CE2 3.26Å; L942-Y967 WeakPolarHBondContact O-CE2 3.43Å; V943-Y967 HydrophobicContact CB-CD2 4.2Å; V943-Y967 HydrophobicContact CB-CE2 4.39Å; V943-Y967 HydrophobicContact CB-CG 4.38Å; V943-Y967 HydrophobicContact CG1-CD1 4.31Å; V943-Y967 HydrophobicContact CG1-CD2 4.06Å; V943-Y967 HydrophobicContact CG1-CG 3.87Å; V943-Y967 HydrophobicContact CG2-CD1 4.19Å; V943-Y967 HydrophobicContact CG2-CD2 4.28Å; V943-Y967 HydrophobicContact CG2-CE1 4.12Å; V943-Y967 HydrophobicContact CG2-CE2 4.23Å; V943-Y967 HydrophobicContact CG2-CG 4.29Å; V963-Y967 WeakPolarHBondContact CG1-O 3.31Å; L964-Y967 HydrophobicContact CB-CD2 4.18Å; L964-Y967 PolarHBondContact O-N 3.01Å; P965-Y967 PolarHBondContact O-N 3.15Å; P965-Y967 VanDerWaalsContact O-N 3.15Å; Y967-Y972 HydrophobicContact CD1-CE2 4.32Å; Y967-Y972 WeakPolarHBondContact O-CD2 3.35Å
968	Q	93	Very high	95.8	Very high	45 Å²	45	30.4 Å²	30.4	21%	0.21	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	158.5	175.4	-67.4	-179.1	1.5	0	0	111.2	V963 P965 Q970	V963-Q968 HydrophobicContact CB-CG 4.31Å; V963-Q968 HydrophobicContact CG1-CG 4.09Å; V963-Q968 PolarHBondContact O-NE2 3.12Å; V963-Q968 VanDerWaalsContact O-NE2 3.13Å; P965-Q968 PolarHBondContact O-N 3.08Å; P965-Q968 VanDerWaalsContact O-N 3.15Å; Q968-Q970 PolarHBondContact O-N 3.06Å; Q968-Q970 VanDerWaalsContact O-N 3.08Å
969	K	89.3	Confident	95.8	Very high	195.25 Å²	195.25	30.3 Å²	30.3	85%	0.849	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	-3.4	-171.9	-53.7	-172.1	178.8	-171.2	0	116.2	A971	K969-A971 VanDerWaalsContact C-N 3.34Å; K969-A971 PolarHBondContact O-N 3.01Å
970	Q	91.2	Very high	95.9	Very high	95.75 Å²	95.75	29.8 Å²	29.8	45%	0.447	15%	0.153	S	C	.	.	S	Bend	trans	-93.5	38.6	177.3	-62.7	158.6	43.4	0	0	112.9	P966 Q968 Y972	P966-Q970 PolarHBondContact O-NE2 3.11Å; Q968-Q970 PolarHBondContact O-N 3.06Å; Q968-Q970 VanDerWaalsContact O-N 3.08Å; Q970-Y972 HydrophobicContact CB-CD2 3.76Å; Q970-Y972 HydrophobicContact CB-CE2 3.68Å; Q970-Y972 VanDerWaalsContact O-CD2 3.27Å; Q970-Y972 WeakPolarHBondContact O-CD2 3.37Å; Q970-Y972 PolarHBondContact O-N 3.27Å
971	A	93.2	Very high	96	Very high	22 Å²	22	28.6 Å²	28.6	18%	0.182	15%	0.145	C	C	.	.	S	Bend	trans	54.8	-7.5	-179.1	0	0	0	0	0	119	K969 G973 R974 F975 N1112 I1114	K969-A971 VanDerWaalsContact C-N 3.34Å; K969-A971 PolarHBondContact O-N 3.01Å; A971-G973 PolarHBondContact O-N 3.15Å; A971-G973 VanDerWaalsContact O-N 3.14Å; A971-R974 WeakPolarHBondContact O-CA 3.32Å; A971-R974 VanDerWaalsContact O-CB 3.29Å; A971-R974 WeakPolarHBondContact O-CB 3.4Å; A971-R974 PolarHBondContact O-N 3.33Å; A971-F975 PolarHBondContact O-N 3.18Å; A971-F975 VanDerWaalsContact O-N 3.1Å; A971-N1112 WeakPolarHBondContact CB-O 3.36Å; A971-I1114 HydrophobicContact CB-CD1 4.36Å; A971-I1114 HydrophobicContact CB-CG1 4.22Å
972	Y	96.3	Very high	95.9	Very high	24.75 Å²	24.75	27.3 Å²	27.3	10%	0.097	14%	0.138	C	C	.	.	H	α-helix	trans	-56.3	-29.4	-178.7	-64.9	-71.1	0	0	0	114.8	I866 I910 V943 Y967 Q970 R974 F975 L976 I1114	I866-Y972 HydrophobicContact CD1-CE1 4Å; I866-Y972 HydrophobicContact CG1-CE1 4.47Å; I910-Y972 HydrophobicContact CD1-CE1 4.39Å; I910-Y972 HydrophobicContact CD1-CE2 4.48Å; I910-Y972 VanDerWaalsContact CD1-OH 3.3Å; I910-Y972 WeakPolarHBondContact CD1-OH 3.21Å; I910-Y972 HydrophobicContact CG1-CE1 4.49Å; I910-Y972 HydrophobicContact CG2-CE1 4.26Å; I910-Y972 WeakPolarHBondContact CG2-OH 3.38Å; V943-Y972 HydrophobicContact CG1-CD1 3.74Å; V943-Y972 HydrophobicContact CG1-CD2 3.68Å; V943-Y972 HydrophobicContact CG1-CE1 4.11Å; V943-Y972 HydrophobicContact CG1-CE2 4.06Å; V943-Y972 HydrophobicContact CG1-CG 3.51Å; V943-Y972 VanDerWaalsContact CG1-CG 3.49Å; Y967-Y972 HydrophobicContact CD1-CE2 4.32Å; Y967-Y972 WeakPolarHBondContact O-CD2 3.35Å; Q970-Y972 HydrophobicContact CB-CD2 3.76Å; Q970-Y972 HydrophobicContact CB-CE2 3.68Å; Q970-Y972 VanDerWaalsContact O-CD2 3.27Å; Q970-Y972 WeakPolarHBondContact O-CD2 3.37Å; Q970-Y972 PolarHBondContact O-N 3.27Å; Y972-R974 VanDerWaalsContact C-N 3.33Å; Y972-R974 PolarHBondContact O-N 2.83Å; Y972-F975 WeakPolarHBondContact O-CB 3.19Å; Y972-F975 PolarHBondContact O-N 3Å; Y972-L976 WeakPolarHBondContact O-CB 3.29Å; Y972-L976 WeakPolarHBondContact O-CD1 3.42Å; Y972-L976 VanDerWaalsContact O-CG 3.31Å; Y972-L976 WeakPolarHBondContact O-CG 3.36Å; Y972-L976 PolarHBondContact O-N 3.28Å; Y972-I1114 HydrophobicContact CD1-CD1 3.47Å; Y972-I1114 VanDerWaalsContact CD1-CD1 3.47Å; Y972-I1114 HydrophobicContact CE1-CD1 3.56Å; Y972-I1114 VanDerWaalsContact CE1-CD1 3.48Å; Y972-I1114 HydrophobicContact CG-CD1 4.05Å
973	G	96.1	Very high	95.8	Very high	19 Å²	19	26.9 Å²	26.9	20%	0.196	14%	0.136	C	C	.	.	H	α-helix	trans	-66.8	-37.8	174.6	0	0	0	0	0	112.6	A971 L976 I977	A971-G973 PolarHBondContact O-N 3.15Å; A971-G973 VanDerWaalsContact O-N 3.14Å; G973-L976 PolarHBondContact O-N 2.64Å; G973-I977 WeakPolarHBondContact O-CD1 3.42Å; G973-I977 VanDerWaalsContact O-CG1 3.3Å; G973-I977 WeakPolarHBondContact O-CG1 3.25Å; G973-I977 PolarHBondContact O-N 3.27Å
974	R	96	Very high	95.7	Very high	31.75 Å²	31.75	26.1 Å²	26.1	12%	0.12	13%	0.132	C	C	.	.	H	α-helix	trans	-68.4	-40.8	173.6	178.6	89	-178.6	-145.3	3.5	111.1	A971 Y972 I977 D978 S1007 Y1008 S1011 W1113	A971-R974 WeakPolarHBondContact O-CA 3.32Å; A971-R974 VanDerWaalsContact O-CB 3.29Å; A971-R974 WeakPolarHBondContact O-CB 3.4Å; A971-R974 PolarHBondContact O-N 3.33Å; Y972-R974 VanDerWaalsContact C-N 3.33Å; Y972-R974 PolarHBondContact O-N 2.83Å; R974-I977 PolarHBondContact O-N 2.98Å; R974-D978 PolarHBondContact O-N 3.24Å; R974-S1007 PolarHBondContact NH1-O 2.89Å; R974-S1007 VanDerWaalsContact NH1-O 3.16Å; R974-Y1008 HydrophobicContact CG-CD2 4.4Å; R974-S1011 VanDerWaalsContact CZ-OG 3.27Å; R974-S1011 PolarHBondContact NH1-OG 3.07Å; R974-S1011 PolarHBondContact NH2-OG 3.28Å; R974-W1113 HydrophobicContact CG-CG 4.48Å; R974-W1113 VanDerWaalsContact NH1-CE2 3.34Å
975	F	97.3	Very high	95.5	Very high	2.5 Å²	2.5	29.4 Å²	29.4	1%	0.011	14%	0.144	C	C	.	.	H	α-helix	trans	-60.5	-48.5	174.2	176	-91.1	0	0	0	112.1	Y861 I866 V868 V908 A971 Y972 I977 D978 F979 I1114 I1116	Y861-F975 HydrophobicContact CD1-CZ 4.33Å; Y861-F975 HydrophobicContact CE1-CE2 4.17Å; Y861-F975 AromaticContact CE1-CZ 3.86Å; Y861-F975 HydrophobicContact CE1-CZ 3.86Å; I866-F975 HydrophobicContact CG2-CE1 4.12Å; I866-F975 HydrophobicContact CG2-CE2 4.43Å; I866-F975 HydrophobicContact CG2-CZ 3.85Å; V868-F975 HydrophobicContact CG2-CE1 3.87Å; V868-F975 HydrophobicContact CG2-CZ 4Å; V908-F975 HydrophobicContact CG1-CD1 4.28Å; V908-F975 HydrophobicContact CG1-CE1 4.01Å; V908-F975 HydrophobicContact CG2-CD1 4.22Å; V908-F975 HydrophobicContact CG2-CE1 3.91Å; A971-F975 PolarHBondContact O-N 3.18Å; A971-F975 VanDerWaalsContact O-N 3.1Å; Y972-F975 WeakPolarHBondContact O-CB 3.19Å; Y972-F975 PolarHBondContact O-N 3Å; F975-I977 VanDerWaalsContact C-N 3.28Å; F975-I977 PolarHBondContact O-N 3.26Å; F975-D978 PolarHBondContact O-N 3.1Å; F975-F979 HydrophobicContact CE1-CD2 4.47Å; F975-F979 HydrophobicContact CZ-CD2 4.31Å; F975-F979 VanDerWaalsContact O-CB 3.28Å; F975-F979 WeakPolarHBondContact O-CB 3.28Å; F975-F979 PolarHBondContact O-N 2.88Å; F975-I1114 HydrophobicContact CB-CB 4.33Å; F975-I1114 HydrophobicContact CB-CD1 4.43Å; F975-I1114 HydrophobicContact CD2-CB 4.07Å; F975-I1114 HydrophobicContact CD2-CG2 3.51Å; F975-I1114 VanDerWaalsContact CD2-CG2 3.5Å; F975-I1114 HydrophobicContact CE2-CG2 3.99Å; F975-I1114 HydrophobicContact CG-CG2 4.29Å; F975-I1116 HydrophobicContact CD2-CD1 3.96Å; F975-I1116 HydrophobicContact CD2-CG1 3.68Å; F975-I1116 HydrophobicContact CE2-CD1 4.06Å; F975-I1116 HydrophobicContact CE2-CG1 3.72Å; F975-I1116 HydrophobicContact CG-CD1 4.47Å
976	L	98.2	Very high	95.4	Very high	0.75 Å²	0.75	31.8 Å²	31.8	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-56.5	-40.9	176.9	-78.1	160.4	0	0	0	112.4	V908 F946 I961 V963 Y972 G973 S980	V908-L976 HydrophobicContact CB-CD2 4.35Å; V908-L976 HydrophobicContact CG2-CD2 3.39Å; V908-L976 VanDerWaalsContact CG2-CD2 3.41Å; V908-L976 HydrophobicContact CG2-CG 4.12Å; F946-L976 HydrophobicContact CD1-CD2 3.84Å; I961-L976 HydrophobicContact CD1-CB 3.68Å; I961-L976 HydrophobicContact CD1-CD1 4.32Å; I961-L976 HydrophobicContact CG1-CB 4.26Å; I961-L976 HydrophobicContact CG1-CD1 4.11Å; V963-L976 HydrophobicContact CG2-CD1 3.59Å; Y972-L976 WeakPolarHBondContact O-CB 3.29Å; Y972-L976 WeakPolarHBondContact O-CD1 3.42Å; Y972-L976 VanDerWaalsContact O-CG 3.31Å; Y972-L976 WeakPolarHBondContact O-CG 3.36Å; Y972-L976 PolarHBondContact O-N 3.28Å; G973-L976 PolarHBondContact O-N 2.64Å; L976-S980 PolarHBondContact O-N 2.96Å; L976-S980 VanDerWaalsContact O-N 3.11Å
977	I	98.1	Very high	95.3	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-69.8	-47.7	178.5	-65.8	169.3	0	0	0	111.4	I961 G973 R974 F975 F979 S980 F981 Y1005 Y1008	I961-I977 HydrophobicContact CD1-CD1 4.44Å; I961-I977 HydrophobicContact CD1-CG1 3.78Å; G973-I977 WeakPolarHBondContact O-CD1 3.42Å; G973-I977 VanDerWaalsContact O-CG1 3.3Å; G973-I977 WeakPolarHBondContact O-CG1 3.25Å; G973-I977 PolarHBondContact O-N 3.27Å; R974-I977 PolarHBondContact O-N 2.98Å; F975-I977 VanDerWaalsContact C-N 3.28Å; F975-I977 PolarHBondContact O-N 3.26Å; I977-F979 VanDerWaalsContact C-N 3.26Å; I977-F979 PolarHBondContact O-N 3.34Å; I977-S980 PolarHBondContact O-N 3.22Å; I977-S980 VanDerWaalsContact O-N 3.12Å; I977-S980 PolarHBondContact O-OG 3.15Å; I977-S980 VanDerWaalsContact O-OG 3.06Å; I977-F981 HydrophobicContact CG2-CD2 3.82Å; I977-F981 HydrophobicContact CG2-CE2 3.73Å; I977-F981 VanDerWaalsContact O-CD2 3.23Å; I977-F981 WeakPolarHBondContact O-CD2 3.33Å; I977-F981 PolarHBondContact O-N 3.19Å; I977-F981 VanDerWaalsContact O-N 3.12Å; I977-Y1005 HydrophobicContact CB-CE1 4.47Å; I977-Y1005 HydrophobicContact CD1-CD1 4.37Å; I977-Y1005 HydrophobicContact CD1-CD2 3.88Å; I977-Y1005 HydrophobicContact CD1-CE1 4.37Å; I977-Y1005 HydrophobicContact CD1-CE2 3.86Å; I977-Y1005 HydrophobicContact CD1-CG 4.13Å; I977-Y1005 HydrophobicContact CG1-CD2 4.43Å; I977-Y1005 HydrophobicContact CG1-CE1 4.15Å; I977-Y1005 HydrophobicContact CG1-CE2 3.96Å; I977-Y1005 HydrophobicContact CG2-CD1 4Å; I977-Y1005 HydrophobicContact CG2-CE1 3.66Å; I977-Y1008 HydrophobicContact CB-CD2 4.25Å; I977-Y1008 HydrophobicContact CG2-CD1 3.68Å; I977-Y1008 HydrophobicContact CG2-CD2 3.8Å; I977-Y1008 HydrophobicContact CG2-CE1 4.13Å; I977-Y1008 HydrophobicContact CG2-CE2 4.22Å; I977-Y1008 HydrophobicContact CG2-CG 3.53Å
978	D	97	Very high	95.1	Very high	25 Å²	25	35.2 Å²	35.2	13%	0.134	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-33.1	178.8	-149.8	-13.5	0	0	0	111.2	R974 F975 F981 L982 R985 Y1008 K1012 I1116	R974-D978 PolarHBondContact O-N 3.24Å; F975-D978 PolarHBondContact O-N 3.1Å; D978-F981 PolarHBondContact O-N 2.96Å; D978-L982 WeakPolarHBondContact O-CB 3.21Å; D978-L982 PolarHBondContact O-N 3.04Å; D978-R985 IonicContact OD1-NH1 2.65Å; D978-R985 IonicContact OD1-NH2 2.53Å; D978-Y1008 HydrophobicContact CB-CD2 4.47Å; D978-Y1008 HydrophobicContact CB-CE2 3.62Å; D978-Y1008 VanDerWaalsContact CG-CE2 3.45Å; D978-Y1008 WeakPolarHBondContact OD1-CE2 3.4Å; D978-Y1008 PolarHBondContact OD1-OH 2.89Å; D978-Y1008 VanDerWaalsContact OD1-OH 3.07Å; D978-K1012 WeakPolarHBondContact OD1-CE 3.25Å; D978-K1012 IonicContact OD1-NZ 3.14Å; D978-K1012 PolarHBondContact OD1-NZ 2.91Å; D978-K1012 VanDerWaalsContact OD2-CE 3.3Å; D978-K1012 WeakPolarHBondContact OD2-CE 3.32Å; D978-K1012 IonicContact OD2-NZ 2.97Å; D978-K1012 PolarHBondContact OD2-NZ 3.28Å; D978-I1116 HydrophobicContact CB-CD1 3.69Å; D978-I1116 HydrophobicContact CB-CG1 4.46Å
979	F	98	Very high	95	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-66.8	-43.1	173.7	-162.8	-84.3	0	0	0	112.2	I860 Y861 V868 Y906 F946 F975 I977 F981 L982 L983 I1116 L1121	I860-F979 HydrophobicContact CD1-CE1 3.98Å; I860-F979 HydrophobicContact CD1-CZ 3.82Å; I860-F979 HydrophobicContact CG1-CZ 4.38Å; Y861-F979 HydrophobicContact CD1-CE2 4.45Å; Y861-F979 AromaticContact CD2-CE2 3.83Å; Y861-F979 HydrophobicContact CD2-CE2 3.83Å; Y861-F979 HydrophobicContact CE2-CE2 4.49Å; Y861-F979 AromaticContact CG-CE2 3.76Å; Y861-F979 HydrophobicContact CG-CE2 3.76Å; V868-F979 HydrophobicContact CB-CE1 4.48Å; V868-F979 HydrophobicContact CB-CE2 4.22Å; V868-F979 HydrophobicContact CB-CZ 3.98Å; V868-F979 HydrophobicContact CG1-CE1 4.03Å; V868-F979 HydrophobicContact CG1-CE2 4.49Å; V868-F979 HydrophobicContact CG1-CZ 4.01Å; V868-F979 HydrophobicContact CG2-CD2 4.16Å; V868-F979 HydrophobicContact CG2-CE2 3.79Å; V868-F979 HydrophobicContact CG2-CZ 4.06Å; Y906-F979 HydrophobicContact CD1-CE1 4.39Å; F946-F979 AromaticContact CE1-CD1 3.91Å; F946-F979 HydrophobicContact CE1-CD1 3.91Å; F946-F979 HydrophobicContact CZ-CD1 4.14Å; F975-F979 HydrophobicContact CE1-CD2 4.47Å; F975-F979 HydrophobicContact CZ-CD2 4.31Å; F975-F979 VanDerWaalsContact O-CB 3.28Å; F975-F979 WeakPolarHBondContact O-CB 3.28Å; F975-F979 PolarHBondContact O-N 2.88Å; I977-F979 VanDerWaalsContact C-N 3.26Å; I977-F979 PolarHBondContact O-N 3.34Å; F979-F981 VanDerWaalsContact C-N 3.28Å; F979-F981 PolarHBondContact O-N 3.14Å; F979-L982 WeakPolarHBondContact O-CB 3.37Å; F979-L982 PolarHBondContact O-N 2.87Å; F979-L982 VanDerWaalsContact O-N 3.17Å; F979-L983 HydrophobicContact CD1-CD1 4.28Å; F979-L983 HydrophobicContact CD1-CG 4.22Å; F979-L983 HydrophobicContact CE1-CD1 4.08Å; F979-L983 HydrophobicContact CE1-CD2 4.03Å; F979-L983 HydrophobicContact CE1-CG 4.08Å; F979-L983 WeakPolarHBondContact O-CG 3.36Å; F979-L983 PolarHBondContact O-N 3.12Å; F979-L983 VanDerWaalsContact O-N 3.09Å; F979-I1116 HydrophobicContact CB-CD1 3.83Å; F979-I1116 HydrophobicContact CD2-CD1 4.26Å; F979-I1116 VanDerWaalsContact N-CD1 3.3Å; F979-L1121 HydrophobicContact CE2-CD1 4.05Å; F979-L1121 HydrophobicContact CZ-CD1 3.69Å
980	S	97.7	Very high	95.2	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	16%	0.163	C	C	.	.	H	α-helix	trans	-63.4	-34.9	176.3	68.4	0	0	0	0	112.2	L976 I977 L983 S984	L976-S980 PolarHBondContact O-N 2.96Å; L976-S980 VanDerWaalsContact O-N 3.11Å; I977-S980 PolarHBondContact O-N 3.22Å; I977-S980 VanDerWaalsContact O-N 3.12Å; I977-S980 PolarHBondContact O-OG 3.15Å; I977-S980 VanDerWaalsContact O-OG 3.06Å; S980-L983 PolarHBondContact O-N 2.95Å; S980-S984 PolarHBondContact O-N 2.93Å; S980-S984 VanDerWaalsContact O-N 3.14Å; S980-S984 PolarHBondContact O-OG 2.99Å
981	F	97.3	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-75.4	-30.9	173.6	-75.2	-62.6	0	0	0	113.7	N957 I977 D978 F979 L983 S984 R985 G991 Y1005 Y1008 W1009 G1065 I1066	N957-F981 VanDerWaalsContact ND2-CD1 3.32Å; N957-F981 WeakPolarHBondContact ND2-CD1 3.31Å; N957-F981 VanDerWaalsContact ND2-CE1 3.31Å; N957-F981 WeakPolarHBondContact ND2-CE1 3.38Å; I977-F981 HydrophobicContact CG2-CD2 3.82Å; I977-F981 HydrophobicContact CG2-CE2 3.73Å; I977-F981 VanDerWaalsContact O-CD2 3.23Å; I977-F981 WeakPolarHBondContact O-CD2 3.33Å; I977-F981 PolarHBondContact O-N 3.19Å; I977-F981 VanDerWaalsContact O-N 3.12Å; D978-F981 PolarHBondContact O-N 2.96Å; F979-F981 VanDerWaalsContact C-N 3.28Å; F979-F981 PolarHBondContact O-N 3.14Å; F981-L983 VanDerWaalsContact C-N 3.33Å; F981-S984 WeakPolarHBondContact O-CB 3.02Å; F981-S984 PolarHBondContact O-N 3.14Å; F981-R985 WeakPolarHBondContact O-CG 3.43Å; F981-R985 PolarHBondContact O-N 3.21Å; F981-R985 PolarHBondContact O-NH1 3.16Å; F981-G991 WeakPolarHBondContact CE1-O 3.28Å; F981-Y1005 HydrophobicContact CE2-CD1 4.28Å; F981-Y1005 AromaticContact CE2-CE1 3.81Å; F981-Y1005 HydrophobicContact CE2-CE1 3.81Å; F981-Y1005 HydrophobicContact CZ-CE1 4.17Å; F981-Y1008 WeakPolarHBondContact CB-OH 3.24Å; F981-Y1008 AromaticContact CD2-CD1 3.92Å; F981-Y1008 HydrophobicContact CD2-CD1 3.92Å; F981-Y1008 AromaticContact CD2-CE1 3.18Å; F981-Y1008 HydrophobicContact CD2-CE1 3.18Å; F981-Y1008 HydrophobicContact CD2-CE2 4.47Å; F981-Y1008 AromaticContact CD2-CZ 3.61Å; F981-Y1008 AromaticContact CE2-CD1 3.83Å; F981-Y1008 HydrophobicContact CE2-CD1 3.83Å; F981-Y1008 AromaticContact CE2-CE1 3.51Å; F981-Y1008 HydrophobicContact CE2-CE1 3.51Å; F981-Y1008 VanDerWaalsContact CE2-CE1 3.43Å; F981-Y1008 AromaticContact CG-CE1 3.98Å; F981-Y1008 HydrophobicContact CG-CE1 4.01Å; F981-Y1008 HydrophobicContact CZ-CE1 4.44Å; F981-W1009 AromaticContact CE2-NE1 3.7Å; F981-W1009 AromaticContact CZ-NE1 3.47Å; F981-G1065 VanDerWaalsContact CD1-O 3.27Å; F981-G1065 WeakPolarHBondContact CD1-O 3.36Å; F981-G1065 WeakPolarHBondContact CE1-O 3.42Å; F981-I1066 HydrophobicContact CD1-CG1 4.15Å; F981-I1066 HydrophobicContact CE1-CB 4.29Å; F981-I1066 HydrophobicContact CE1-CG1 3.96Å; F981-I1066 HydrophobicContact CE2-CG1 4.5Å; F981-I1066 HydrophobicContact CZ-CG1 4.19Å
982	L	96.5	Very high	95.6	Very high	1.25 Å²	1.25	24.3 Å²	24.3	1%	0.007	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-43.8	168.7	174.4	57.5	0	0	0	111.5	D978 F979 S984 R985 I986 I1116 E1118 L1121	D978-L982 WeakPolarHBondContact O-CB 3.21Å; D978-L982 PolarHBondContact O-N 3.04Å; F979-L982 WeakPolarHBondContact O-CB 3.37Å; F979-L982 PolarHBondContact O-N 2.87Å; F979-L982 VanDerWaalsContact O-N 3.17Å; L982-S984 VanDerWaalsContact C-N 3.33Å; L982-S984 PolarHBondContact O-N 2.73Å; L982-R985 PolarHBondContact O-N 3.13Å; L982-I986 HydrophobicContact CD1-CD1 3.77Å; L982-I986 HydrophobicContact CD1-CG1 4.33Å; L982-I986 HydrophobicContact CG-CD1 4.11Å; L982-I986 WeakPolarHBondContact O-CG1 3.47Å; L982-I986 PolarHBondContact O-N 3.28Å; L982-I986 VanDerWaalsContact O-N 3.14Å; L982-I1116 HydrophobicContact CD2-CG2 3.66Å; L982-E1118 HydrophobicContact CD1-CB 4.38Å; L982-E1118 HydrophobicContact CD1-CG 3.78Å; L982-E1118 WeakPolarHBondContact CD1-OE1 3.08Å; L982-E1118 HydrophobicContact CD2-CG 4.23Å; L982-L1121 HydrophobicContact CD1-CD2 4.48Å; L982-L1121 HydrophobicContact CD2-CD2 3.87Å; L982-L1121 HydrophobicContact CG-CD2 3.97Å
983	L	95.8	Very high	95.6	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-46	174	-59.8	-176	0	0	0	111.5	Y906 F946 F979 S980 F981 R985 I986 E987 L1121 W1123	Y906-L983 HydrophobicContact CD1-CD1 4.05Å; Y906-L983 HydrophobicContact CD2-CD1 4.25Å; Y906-L983 HydrophobicContact CE1-CD1 3.62Å; Y906-L983 HydrophobicContact CE2-CD1 3.83Å; Y906-L983 HydrophobicContact CG-CD1 4.33Å; Y906-L983 VanDerWaalsContact CZ-CD1 3.47Å; F946-L983 HydrophobicContact CZ-CD1 3.98Å; F979-L983 HydrophobicContact CD1-CD1 4.28Å; F979-L983 HydrophobicContact CD1-CG 4.22Å; F979-L983 HydrophobicContact CE1-CD1 4.08Å; F979-L983 HydrophobicContact CE1-CD2 4.03Å; F979-L983 HydrophobicContact CE1-CG 4.08Å; F979-L983 WeakPolarHBondContact O-CG 3.36Å; F979-L983 PolarHBondContact O-N 3.12Å; F979-L983 VanDerWaalsContact O-N 3.09Å; S980-L983 PolarHBondContact O-N 2.95Å; F981-L983 VanDerWaalsContact C-N 3.33Å; L983-R985 VanDerWaalsContact C-N 3.33Å; L983-R985 PolarHBondContact O-N 2.96Å; L983-I986 PolarHBondContact O-N 3.23Å; L983-I986 VanDerWaalsContact O-N 3.11Å; L983-E987 WeakPolarHBondContact O-CB 3.46Å; L983-E987 WeakPolarHBondContact O-CG 3.27Å; L983-E987 PolarHBondContact O-N 3.15Å; L983-L1121 HydrophobicContact CD2-CD2 4.34Å; L983-W1123 HydrophobicContact CB-CH2 4.44Å; L983-W1123 HydrophobicContact CB-CZ3 4.37Å; L983-W1123 HydrophobicContact CD2-CD2 3.77Å; L983-W1123 HydrophobicContact CD2-CE3 3.64Å; L983-W1123 HydrophobicContact CD2-CG 4.32Å; L983-W1123 HydrophobicContact CD2-CH2 4.33Å; L983-W1123 HydrophobicContact CD2-CZ2 4.45Å; L983-W1123 HydrophobicContact CD2-CZ3 3.93Å
984	S	94.7	Very high	95.5	Very high	1.25 Å²	1.25	25.5 Å²	25.5	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-57.5	-41.1	176.1	-71	0	0	0	0	113.2	N957 S980 F981 L982 I986 E987 G988 Q989	N957-S984 VanDerWaalsContact CB-OG 3.27Å; N957-S984 WeakPolarHBondContact CB-OG 3.36Å; N957-S984 PolarHBondContact ND2-OG 3.12Å; S980-S984 PolarHBondContact O-N 2.93Å; S980-S984 VanDerWaalsContact O-N 3.14Å; S980-S984 PolarHBondContact O-OG 2.99Å; F981-S984 WeakPolarHBondContact O-CB 3.02Å; F981-S984 PolarHBondContact O-N 3.14Å; L982-S984 VanDerWaalsContact C-N 3.33Å; L982-S984 PolarHBondContact O-N 2.73Å; S984-I986 VanDerWaalsContact C-N 3.29Å; S984-I986 PolarHBondContact O-N 2.95Å; S984-E987 PolarHBondContact O-N 3.1Å; S984-G988 PolarHBondContact O-N 3.2Å; S984-G988 VanDerWaalsContact O-N 3.17Å; S984-Q989 VanDerWaalsContact CB-O 3.27Å; S984-Q989 WeakPolarHBondContact CB-O 3.32Å; S984-Q989 PolarHBondContact O-N 3.21Å; S984-Q989 PolarHBondContact OG-O 3.24Å
985	R	94	Very high	95.3	Very high	71.75 Å²	71.75	29.1 Å²	29.1	27%	0.271	15%	0.154	S	C	.	.	H	α-helix	trans	-63.8	-36.4	175.7	-72.9	-174.5	-65.8	151.1	-1.6	112.4	D978 F981 L982 L983 G988 T1063 T1064 E1118	D978-R985 IonicContact OD1-NH1 2.65Å; D978-R985 IonicContact OD1-NH2 2.53Å; F981-R985 WeakPolarHBondContact O-CG 3.43Å; F981-R985 PolarHBondContact O-N 3.21Å; F981-R985 PolarHBondContact O-NH1 3.16Å; L982-R985 PolarHBondContact O-N 3.13Å; L983-R985 VanDerWaalsContact C-N 3.33Å; L983-R985 PolarHBondContact O-N 2.96Å; R985-G988 PolarHBondContact O-N 3.19Å; R985-T1063 VanDerWaalsContact CD-O 3.25Å; R985-T1063 WeakPolarHBondContact CD-O 3.4Å; R985-T1064 WeakPolarHBondContact CG-O 3.39Å; R985-T1064 PolarHBondContact NH1-O 3.06Å; R985-E1118 IonicContact CZ-OE1 3.37Å; R985-E1118 IonicContact NE-OE1 3.92Å; R985-E1118 PolarHBondContact NE-OE1 3Å; R985-E1118 IonicContact NH1-OE1 3.34Å; R985-E1118 PolarHBondContact NH1-OE1 3.24Å; R985-E1118 IonicContact NH1-OE2 3.26Å; R985-E1118 PolarHBondContact NH1-OE2 3.22Å; R985-E1118 IonicContact NH2-OE1 3.35Å; R985-E1118 PolarHBondContact NH2-OE1 3.02Å
986	I	93.2	Very high	95	Very high	77.75 Å²	77.75	33.3 Å²	33.3	40%	0.399	18%	0.182	S	C	.	.	H	α-helix	trans	-78.5	-30.1	178.7	-67.9	167.6	0	0	0	112.1	L982 L983 S984 G988 L1121 W1123 P1125	L982-I986 HydrophobicContact CD1-CD1 3.77Å; L982-I986 HydrophobicContact CD1-CG1 4.33Å; L982-I986 HydrophobicContact CG-CD1 4.11Å; L982-I986 WeakPolarHBondContact O-CG1 3.47Å; L982-I986 PolarHBondContact O-N 3.28Å; L982-I986 VanDerWaalsContact O-N 3.14Å; L983-I986 PolarHBondContact O-N 3.23Å; L983-I986 VanDerWaalsContact O-N 3.11Å; S984-I986 VanDerWaalsContact C-N 3.29Å; S984-I986 PolarHBondContact O-N 2.95Å; I986-G988 VanDerWaalsContact C-N 3.27Å; I986-G988 PolarHBondContact O-N 3.23Å; I986-L1121 HydrophobicContact CD1-CD2 3.33Å; I986-W1123 HydrophobicContact CB-CZ3 4.29Å; I986-W1123 HydrophobicContact CG2-CE3 4.02Å; I986-W1123 HydrophobicContact CG2-CZ3 3.91Å; I986-P1125 HydrophobicContact CG2-CG 4.29Å
987	E	92.4	Very high	94.6	Very high	61.5 Å²	61.5	35.2 Å²	35.2	29%	0.287	19%	0.192	S	C	.	.	H	α-helix	trans	-72.4	-17.8	170.8	-71.7	171.7	165.1	0	0	113.1	K948 L983 S984 Q989 W1123 P1125	K948-E987 IonicContact NZ-OE1 3.16Å; K948-E987 PolarHBondContact NZ-OE1 3.06Å; K948-E987 IonicContact NZ-OE2 3.32Å; K948-E987 PolarHBondContact NZ-OE2 3.15Å; L983-E987 WeakPolarHBondContact O-CB 3.46Å; L983-E987 WeakPolarHBondContact O-CG 3.27Å; L983-E987 PolarHBondContact O-N 3.15Å; S984-E987 PolarHBondContact O-N 3.1Å; E987-Q989 HydrophobicContact CB-CB 4.42Å; E987-Q989 PolarHBondContact O-N 3.23Å; E987-W1123 HydrophobicContact CG-CH2 3.72Å; E987-W1123 HydrophobicContact CG-CZ3 4.1Å; E987-W1123 WeakPolarHBondContact OE1-CH2 3.45Å; E987-P1125 HydrophobicContact CG-CB 4.19Å; E987-P1125 HydrophobicContact CG-CG 3.95Å
988	G	91.2	Very high	94.4	Very high	58.5 Å²	58.5	37.7 Å²	37.7	60%	0.603	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	17.5	-172.2	0	0	0	0	0	113.5	S984 R985 I986	S984-G988 PolarHBondContact O-N 3.2Å; S984-G988 VanDerWaalsContact O-N 3.17Å; R985-G988 PolarHBondContact O-N 3.19Å; I986-G988 VanDerWaalsContact C-N 3.27Å; I986-G988 PolarHBondContact O-N 3.23Å
989	Q	91	Very high	94.1	Very high	85.75 Å²	85.75	42.8 Å²	42.8	40%	0.401	23%	0.232	S	C	.	.			trans	-119.9	110.5	179.2	-85.8	-84	-30.1	0	0	109.1	K955 S984 E987	K955-Q989 HydrophobicContact CD-CG 4.26Å; S984-Q989 VanDerWaalsContact CB-O 3.27Å; S984-Q989 WeakPolarHBondContact CB-O 3.32Å; S984-Q989 PolarHBondContact O-N 3.21Å; S984-Q989 PolarHBondContact OG-O 3.24Å; E987-Q989 HydrophobicContact CB-CB 4.42Å; E987-Q989 PolarHBondContact O-N 3.23Å
990	P	94.5	Very high	93.8	Very high	35.5 Å²	35.5	46.7 Å²	46.7	23%	0.231	25%	0.253	C	S	.	.			trans	-63.7	148.5	171	17.7	-19.2	0	0	0	110.2	S1061 G1065	P990-S1061 WeakPolarHBondContact CB-OG 3.37Å; P990-S1061 WeakPolarHBondContact CG-OG 3.32Å; P990-G1065 VanDerWaalsContact CA-O 3.3Å; P990-G1065 WeakPolarHBondContact CA-O 3.3Å
991	G	94.7	Very high	93.6	Very high	1.25 Å²	1.25	47.1 Å²	47.1	1%	0.013	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-142.4	166.1	-174.4	0	0	0	0	0	114.4	K955 F981 G1065 D1067	K955-G991 WeakPolarHBondContact O-CA 3.19Å; F981-G991 WeakPolarHBondContact CE1-O 3.28Å; G991-G1065 PolarHBondContact N-O 3.28Å; G991-G1065 VanDerWaalsContact N-O 3.07Å; G991-D1067 WeakPolarHBondContact O-CB 3.41Å; G991-D1067 PolarHBondContact O-N 2.84Å; G991-D1067 VanDerWaalsContact O-N 3.14Å
992	S	96.6	Very high	93.4	Very high	7.75 Å²	7.75	50.3 Å²	50.3	5%	0.054	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	153.4	174.6	-175.5	0	0	0	0	108.4	Y956 N957 K995 D1070	Y956-S992 CarbonylContact C-O 3.45Å; Y956-S992 WeakPolarHBondContact CA-O 3.34Å; Y956-S992 WeakPolarHBondContact CD1-O 3.37Å; N957-S992 PolarHBondContact N-O 3.14Å; N957-S992 VanDerWaalsContact N-O 3.12Å; N957-S992 PolarHBondContact OD1-O 2.95Å; S992-K995 WeakPolarHBondContact OG-CE 3.38Å; S992-K995 PolarHBondContact OG-NZ 3.21Å; S992-K995 VanDerWaalsContact OG-NZ 3.08Å; S992-D1070 VanDerWaalsContact CB-OD2 3.26Å; S992-D1070 WeakPolarHBondContact CB-OD2 3.39Å; S992-D1070 PolarHBondContact OG-OD2 3.09Å
993	P	96.9	Very high	93.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	151.3	164.3	30.6	-35.5	0	0	0	111.5	Y956 L958 L997 Y1005 W1009	Y956-P993 WeakPolarHBondContact CD1-O 3.42Å; Y956-P993 WeakPolarHBondContact CE1-O 3.38Å; L958-P993 HydrophobicContact CD2-CB 4.23Å; L958-P993 CarbonylContact O-C 3.48Å; P993-L997 HydrophobicContact CB-CD2 3.92Å; P993-L997 HydrophobicContact CG-CD1 4.09Å; P993-L997 HydrophobicContact CG-CD2 4.05Å; P993-L997 HydrophobicContact CG-CG 4.38Å; P993-Y1005 HydrophobicContact CB-CE1 4.09Å; P993-Y1005 HydrophobicContact CB-CE2 3.99Å; P993-Y1005 HydrophobicContact CG-CD1 4.02Å; P993-Y1005 HydrophobicContact CG-CD2 4.3Å; P993-Y1005 HydrophobicContact CG-CE1 3.72Å; P993-Y1005 HydrophobicContact CG-CE2 4.04Å; P993-Y1005 HydrophobicContact CG-CG 4.3Å; P993-W1009 HydrophobicContact CG-CZ2 4.29Å
994	E	94.1	Very high	93.2	Very high	68 Å²	68	56.4 Å²	56.4	32%	0.318	31%	0.309	S	S	.	.			trans	-57.4	142.3	168.6	-172.4	178	146.8	0	0	110.9	Y956 L958 S959	Y956-E994 HydrophobicContact CD2-CB 3.71Å; Y956-E994 HydrophobicContact CD2-CG 3.89Å; Y956-E994 HydrophobicContact CE2-CB 4.05Å; Y956-E994 HydrophobicContact CE2-CG 3.89Å; Y956-E994 HydrophobicContact CG-CB 4.15Å; L958-E994 WeakPolarHBondContact O-CB 3.41Å; L958-E994 PolarHBondContact O-N 3.04Å; S959-E994 WeakPolarHBondContact CA-OE2 3.44Å; S959-E994 WeakPolarHBondContact CB-OE2 3.37Å; S959-E994 PolarHBondContact OG-OE2 3.21Å
995	K	91.8	Very high	93.3	Very high	107.5 Å²	107.5	56.4 Å²	56.4	47%	0.467	31%	0.308	S	S	.	.	S	Bend	trans	-114.7	132	-175.3	-71.3	156.4	-179.2	165.3	0	107.5	S992 D1070	S992-K995 WeakPolarHBondContact OG-CE 3.38Å; S992-K995 PolarHBondContact OG-NZ 3.21Å; S992-K995 VanDerWaalsContact OG-NZ 3.08Å; K995-D1070 IonicContact NZ-OD1 3.73Å; K995-D1070 PolarHBondContact NZ-OD1 3.11Å; K995-D1070 VanDerWaalsContact NZ-OD1 3.08Å; K995-D1070 IonicContact NZ-OD2 3.05Å
996	P	91.2	Very high	93.4	Very high	91.75 Å²	91.75	55.1 Å²	55.1	60%	0.596	31%	0.305	S	S	*	.	S	Bend	cis	-87.1	138.7	16.9	33.2	-36	0	0	0	115.7	H893	H893-P996 HydrophobicContact CB-CG 4.23Å; H893-P996 VanDerWaalsContact CD2-CG 3.42Å; H893-P996 WeakPolarHBondContact CD2-CG 3Å
997	L	90.7	Very high	93.4	Very high	40.25 Å²	40.25	53.2 Å²	53.2	21%	0.211	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-76.6	144	164.8	-71.2	175.6	0	0	0	110.8	P993 N1002 Y1005	P993-L997 HydrophobicContact CB-CD2 3.92Å; P993-L997 HydrophobicContact CG-CD1 4.09Å; P993-L997 HydrophobicContact CG-CD2 4.05Å; P993-L997 HydrophobicContact CG-CG 4.38Å; L997-N1002 HydrophobicContact CB-CB 4.28Å; L997-N1002 HydrophobicContact CD1-CB 4.48Å; L997-Y1005 HydrophobicContact CD1-CD2 3.84Å; L997-Y1005 HydrophobicContact CD1-CG 4.19Å; L997-Y1005 HydrophobicContact CD2-CD2 3.89Å; L997-Y1005 HydrophobicContact CD2-CE2 3.88Å
998	S	93	Very high	93.6	Very high	53.75 Å²	53.75	50.3 Å²	50.3	38%	0.376	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-65.8	158.5	165.4	67.7	0	0	0	0	111	L1000 G1001 N1002	S998-L1000 VanDerWaalsContact C-N 3.33Å; S998-L1000 PolarHBondContact O-N 3.13Å; S998-G1001 CarbonylContact O-C 3.53Å; S998-G1001 WeakPolarHBondContact O-CA 3.4Å; S998-G1001 PolarHBondContact O-N 3.19Å; S998-G1001 PolarHBondContact OG-N 3.14Å; S998-N1002 WeakPolarHBondContact O-CB 3.41Å; S998-N1002 PolarHBondContact O-N 3.31Å
999	Q	90.7	Very high	93.9	Very high	132.25 Å²	132.25	48.1 Å²	48.1	62%	0.618	26%	0.259	S	S	*	.	H	α-helix	trans	-55.7	-45.3	-179.1	-172.4	176.1	0.6	0	0	112.6	G1001 N1002 L1003	Q999-G1001 VanDerWaalsContact C-N 3.33Å; Q999-G1001 PolarHBondContact O-N 3.11Å; Q999-N1002 PolarHBondContact O-N 3.28Å; Q999-L1003 WeakPolarHBondContact O-CG 3.34Å; Q999-L1003 PolarHBondContact O-N 3.11Å; Q999-L1003 VanDerWaalsContact O-N 3.1Å
1000	L	90.7	Very high	94.2	Very high	83.5 Å²	83.5	46.4 Å²	46.4	44%	0.437	25%	0.249	S	C	.	.	H	α-helix	trans	-64.6	-36.3	174.4	-179.2	61.2	0	0	0	112.5	S998 S1004	S998-L1000 VanDerWaalsContact C-N 3.33Å; S998-L1000 PolarHBondContact O-N 3.13Å; L1000-S1004 WeakPolarHBondContact O-CB 3.38Å; L1000-S1004 PolarHBondContact O-N 3.29Å; L1000-S1004 VanDerWaalsContact O-N 3.09Å; L1000-S1004 PolarHBondContact O-OG 3.28Å
1001	G	93.7	Very high	94.2	Very high	7.8 Å²	7.8	45.4 Å²	45.4	8%	0.08	24%	0.243	C	C	.	.	H	α-helix	trans	-63.7	-48.4	173.5	0	0	0	0	0	112	S998 Q999 L1003 S1004 Y1005	S998-G1001 CarbonylContact O-C 3.53Å; S998-G1001 WeakPolarHBondContact O-CA 3.4Å; S998-G1001 PolarHBondContact O-N 3.19Å; S998-G1001 PolarHBondContact OG-N 3.14Å; Q999-G1001 VanDerWaalsContact C-N 3.33Å; Q999-G1001 PolarHBondContact O-N 3.11Å; G1001-L1003 PolarHBondContact O-N 3.01Å; G1001-S1004 CarbonylContact O-C 3.58Å; G1001-S1004 WeakPolarHBondContact O-CA 3.39Å; G1001-S1004 WeakPolarHBondContact O-CB 3.44Å; G1001-S1004 PolarHBondContact O-N 2.94Å; G1001-S1004 VanDerWaalsContact O-N 3.11Å; G1001-Y1005 WeakPolarHBondContact O-CD2 3.37Å; G1001-Y1005 PolarHBondContact O-N 2.91Å
1002	N	94.3	Very high	94.2	Very high	67.4 Å²	67.4	48 Å²	48	36%	0.36	25%	0.254	S	S	.	.	H	α-helix	trans	-58.7	-47.8	179.2	-169.1	-5.5	0	0	0	111.8	L997 S998 Q999 S1004 Y1005 Q1006	L997-N1002 HydrophobicContact CB-CB 4.28Å; L997-N1002 HydrophobicContact CD1-CB 4.48Å; S998-N1002 WeakPolarHBondContact O-CB 3.41Å; S998-N1002 PolarHBondContact O-N 3.31Å; Q999-N1002 PolarHBondContact O-N 3.28Å; N1002-S1004 VanDerWaalsContact C-N 3.31Å; N1002-S1004 PolarHBondContact O-N 2.85Å; N1002-Y1005 PolarHBondContact O-N 3.06Å; N1002-Q1006 PolarHBondContact ND2-NE2 2.79Å; N1002-Q1006 WeakPolarHBondContact O-CB 3.38Å; N1002-Q1006 WeakPolarHBondContact O-CG 3.34Å; N1002-Q1006 PolarHBondContact O-N 3.26Å; N1002-Q1006 PolarHBondContact OD1-NE2 2.96Å
1003	L	92.9	Very high	94.2	Very high	93.8 Å²	93.8	47.6 Å²	47.6	49%	0.491	25%	0.251	S	S	.	.	H	α-helix	trans	-58.7	-41.3	173.5	-68.9	171.1	0	0	0	112.3	Q999 G1001 S1007	Q999-L1003 WeakPolarHBondContact O-CG 3.34Å; Q999-L1003 PolarHBondContact O-N 3.11Å; Q999-L1003 VanDerWaalsContact O-N 3.1Å; G1001-L1003 PolarHBondContact O-N 3.01Å; L1003-S1007 VanDerWaalsContact O-CB 3.26Å; L1003-S1007 WeakPolarHBondContact O-CB 3.36Å; L1003-S1007 PolarHBondContact O-N 3.31Å; L1003-S1007 VanDerWaalsContact O-N 3.08Å
1004	S	94.9	Very high	94.1	Very high	37.8 Å²	37.8	47.8 Å²	47.8	26%	0.264	25%	0.252	S	S	.	.	H	α-helix	trans	-65.9	-42.7	178.2	-57.8	0	0	0	0	112.3	L1000 G1001 N1002 Y1008	L1000-S1004 WeakPolarHBondContact O-CB 3.38Å; L1000-S1004 PolarHBondContact O-N 3.29Å; L1000-S1004 VanDerWaalsContact O-N 3.09Å; L1000-S1004 PolarHBondContact O-OG 3.28Å; G1001-S1004 CarbonylContact O-C 3.58Å; G1001-S1004 WeakPolarHBondContact O-CA 3.39Å; G1001-S1004 WeakPolarHBondContact O-CB 3.44Å; G1001-S1004 PolarHBondContact O-N 2.94Å; G1001-S1004 VanDerWaalsContact O-N 3.11Å; N1002-S1004 VanDerWaalsContact C-N 3.31Å; N1002-S1004 PolarHBondContact O-N 2.85Å; S1004-Y1008 VanDerWaalsContact O-CB 3.28Å; S1004-Y1008 WeakPolarHBondContact O-CB 3.32Å; S1004-Y1008 PolarHBondContact O-N 2.91Å
1005	Y	96.8	Very high	94	Very high	0.2 Å²	0.2	47.8 Å²	47.8	0%	0.001	26%	0.258	C	S	.	.	H	α-helix	trans	-69.1	-45.4	177.5	-89.7	-78.9	0	0	0	112.5	L958 I977 F981 P993 L997 G1001 N1002 S1007 Y1008 W1009	L958-Y1005 WeakPolarHBondContact CD1-OH 3.35Å; I977-Y1005 HydrophobicContact CB-CE1 4.47Å; I977-Y1005 HydrophobicContact CD1-CD1 4.37Å; I977-Y1005 HydrophobicContact CD1-CD2 3.88Å; I977-Y1005 HydrophobicContact CD1-CE1 4.37Å; I977-Y1005 HydrophobicContact CD1-CE2 3.86Å; I977-Y1005 HydrophobicContact CD1-CG 4.13Å; I977-Y1005 HydrophobicContact CG1-CD2 4.43Å; I977-Y1005 HydrophobicContact CG1-CE1 4.15Å; I977-Y1005 HydrophobicContact CG1-CE2 3.96Å; I977-Y1005 HydrophobicContact CG2-CD1 4Å; I977-Y1005 HydrophobicContact CG2-CE1 3.66Å; F981-Y1005 HydrophobicContact CE2-CD1 4.28Å; F981-Y1005 AromaticContact CE2-CE1 3.81Å; F981-Y1005 HydrophobicContact CE2-CE1 3.81Å; F981-Y1005 HydrophobicContact CZ-CE1 4.17Å; P993-Y1005 HydrophobicContact CB-CE1 4.09Å; P993-Y1005 HydrophobicContact CB-CE2 3.99Å; P993-Y1005 HydrophobicContact CG-CD1 4.02Å; P993-Y1005 HydrophobicContact CG-CD2 4.3Å; P993-Y1005 HydrophobicContact CG-CE1 3.72Å; P993-Y1005 HydrophobicContact CG-CE2 4.04Å; P993-Y1005 HydrophobicContact CG-CG 4.3Å; L997-Y1005 HydrophobicContact CD1-CD2 3.84Å; L997-Y1005 HydrophobicContact CD1-CG 4.19Å; L997-Y1005 HydrophobicContact CD2-CD2 3.89Å; L997-Y1005 HydrophobicContact CD2-CE2 3.88Å; G1001-Y1005 WeakPolarHBondContact O-CD2 3.37Å; G1001-Y1005 PolarHBondContact O-N 2.91Å; N1002-Y1005 PolarHBondContact O-N 3.06Å; Y1005-S1007 VanDerWaalsContact C-N 3.34Å; Y1005-S1007 PolarHBondContact O-N 2.99Å; Y1005-Y1008 CarbonylContact O-C 3.57Å; Y1005-Y1008 WeakPolarHBondContact O-CA 3.48Å; Y1005-Y1008 WeakPolarHBondContact O-CB 3.3Å; Y1005-Y1008 PolarHBondContact O-N 3.29Å; Y1005-Y1008 VanDerWaalsContact O-N 3.13Å; Y1005-W1009 AromaticContact CD1-CE2 3.77Å; Y1005-W1009 HydrophobicContact CD1-CH2 4.38Å; Y1005-W1009 AromaticContact CD1-CZ2 3.66Å; Y1005-W1009 HydrophobicContact CD1-CZ2 3.66Å; Y1005-W1009 AromaticContact CD1-NE1 3.93Å; Y1005-W1009 HydrophobicContact CE1-CZ2 4.42Å; Y1005-W1009 HydrophobicContact CG-CZ2 4.27Å; Y1005-W1009 VanDerWaalsContact O-CG 3.31Å; Y1005-W1009 PolarHBondContact O-N 3.19Å
1006	Q	95.2	Very high	94	Very high	44.4 Å²	44.4	44.8 Å²	44.8	21%	0.207	25%	0.245	C	C	.	.	H	α-helix	trans	-59.5	-44.9	175.1	-71.3	-178.5	27.2	0	0	111.6	N1002 Y1008 W1009 R1010	N1002-Q1006 PolarHBondContact ND2-NE2 2.79Å; N1002-Q1006 WeakPolarHBondContact O-CB 3.38Å; N1002-Q1006 WeakPolarHBondContact O-CG 3.34Å; N1002-Q1006 PolarHBondContact O-N 3.26Å; N1002-Q1006 PolarHBondContact OD1-NE2 2.96Å; Q1006-Y1008 VanDerWaalsContact C-N 3.32Å; Q1006-Y1008 PolarHBondContact O-N 3.29Å; Q1006-W1009 PolarHBondContact O-N 3.27Å; Q1006-R1010 WeakPolarHBondContact O-CB 3.36Å; Q1006-R1010 VanDerWaalsContact O-CG 3.27Å; Q1006-R1010 WeakPolarHBondContact O-CG 3.33Å; Q1006-R1010 PolarHBondContact O-N 3.09Å
1007	S	94.3	Very high	93.9	Very high	38 Å²	38	41.2 Å²	41.2	27%	0.266	22%	0.221	S	C	.	.	H	α-helix	trans	-64	-36.7	176.1	-174.8	0	0	0	0	112.3	R974 L1003 Y1005 S1011	R974-S1007 PolarHBondContact NH1-O 2.89Å; R974-S1007 VanDerWaalsContact NH1-O 3.16Å; L1003-S1007 VanDerWaalsContact O-CB 3.26Å; L1003-S1007 WeakPolarHBondContact O-CB 3.36Å; L1003-S1007 PolarHBondContact O-N 3.31Å; L1003-S1007 VanDerWaalsContact O-N 3.08Å; Y1005-S1007 VanDerWaalsContact C-N 3.34Å; Y1005-S1007 PolarHBondContact O-N 2.99Å; S1007-S1011 VanDerWaalsContact O-CB 3.3Å; S1007-S1011 WeakPolarHBondContact O-CB 3.31Å; S1007-S1011 PolarHBondContact O-N 3.04Å; S1007-S1011 PolarHBondContact O-OG 3.06Å; S1007-S1011 VanDerWaalsContact O-OG 3.1Å
1008	Y	96.7	Very high	93.8	Very high	0.6 Å²	0.6	39.4 Å²	39.4	0%	0.002	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-58.7	173.3	178.4	-92.7	0	0	0	111.8	R974 I977 D978 F981 S1004 Y1005 Q1006 R1010 S1011 K1012 I1066	R974-Y1008 HydrophobicContact CG-CD2 4.4Å; I977-Y1008 HydrophobicContact CB-CD2 4.25Å; I977-Y1008 HydrophobicContact CG2-CD1 3.68Å; I977-Y1008 HydrophobicContact CG2-CD2 3.8Å; I977-Y1008 HydrophobicContact CG2-CE1 4.13Å; I977-Y1008 HydrophobicContact CG2-CE2 4.22Å; I977-Y1008 HydrophobicContact CG2-CG 3.53Å; D978-Y1008 HydrophobicContact CB-CD2 4.47Å; D978-Y1008 HydrophobicContact CB-CE2 3.62Å; D978-Y1008 VanDerWaalsContact CG-CE2 3.45Å; D978-Y1008 WeakPolarHBondContact OD1-CE2 3.4Å; D978-Y1008 PolarHBondContact OD1-OH 2.89Å; D978-Y1008 VanDerWaalsContact OD1-OH 3.07Å; F981-Y1008 WeakPolarHBondContact CB-OH 3.24Å; F981-Y1008 AromaticContact CD2-CD1 3.92Å; F981-Y1008 HydrophobicContact CD2-CD1 3.92Å; F981-Y1008 AromaticContact CD2-CE1 3.18Å; F981-Y1008 HydrophobicContact CD2-CE1 3.18Å; F981-Y1008 HydrophobicContact CD2-CE2 4.47Å; F981-Y1008 AromaticContact CD2-CZ 3.61Å; F981-Y1008 AromaticContact CE2-CD1 3.83Å; F981-Y1008 HydrophobicContact CE2-CD1 3.83Å; F981-Y1008 AromaticContact CE2-CE1 3.51Å; F981-Y1008 HydrophobicContact CE2-CE1 3.51Å; F981-Y1008 VanDerWaalsContact CE2-CE1 3.43Å; F981-Y1008 AromaticContact CG-CE1 3.98Å; F981-Y1008 HydrophobicContact CG-CE1 4.01Å; F981-Y1008 HydrophobicContact CZ-CE1 4.44Å; S1004-Y1008 VanDerWaalsContact O-CB 3.28Å; S1004-Y1008 WeakPolarHBondContact O-CB 3.32Å; S1004-Y1008 PolarHBondContact O-N 2.91Å; Y1005-Y1008 CarbonylContact O-C 3.57Å; Y1005-Y1008 WeakPolarHBondContact O-CA 3.48Å; Y1005-Y1008 WeakPolarHBondContact O-CB 3.3Å; Y1005-Y1008 PolarHBondContact O-N 3.29Å; Y1005-Y1008 VanDerWaalsContact O-N 3.13Å; Q1006-Y1008 VanDerWaalsContact C-N 3.32Å; Q1006-Y1008 PolarHBondContact O-N 3.29Å; Y1008-R1010 PolarHBondContact O-N 2.92Å; Y1008-S1011 PolarHBondContact O-N 3.11Å; Y1008-S1011 VanDerWaalsContact O-N 3.17Å; Y1008-S1011 PolarHBondContact O-OG 2.99Å; Y1008-K1012 HydrophobicContact CD1-CG 4.43Å; Y1008-K1012 HydrophobicContact CD2-CG 4.41Å; Y1008-K1012 HydrophobicContact CE1-CG 3.95Å; Y1008-K1012 HydrophobicContact CE2-CD 4.26Å; Y1008-K1012 VanDerWaalsContact CE2-CE 3.45Å; Y1008-K1012 HydrophobicContact CE2-CG 4.01Å; Y1008-K1012 WeakPolarHBondContact O-CG 3.32Å; Y1008-K1012 PolarHBondContact O-N 3.16Å; Y1008-K1012 VanDerWaalsContact O-N 3.11Å; Y1008-K1012 WeakPolarHBondContact OH-CE 3.47Å; Y1008-K1012 PolarHBondContact OH-NZ 2.77Å; Y1008-I1066 HydrophobicContact CE1-CD1 4.33Å; Y1008-I1066 HydrophobicContact CE1-CG1 4.43Å
1009	W	97.7	Very high	93.5	Very high	12.8 Å²	12.8	39.4 Å²	39.4	5%	0.048	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-47.6	-176.4	-62.7	-36.4	0	0	0	112.1	F981 P993 Y1005 Q1006 S1011 K1012 V1013 I1066 D1070 T1074	F981-W1009 AromaticContact CE2-NE1 3.7Å; F981-W1009 AromaticContact CZ-NE1 3.47Å; P993-W1009 HydrophobicContact CG-CZ2 4.29Å; Y1005-W1009 AromaticContact CD1-CE2 3.77Å; Y1005-W1009 HydrophobicContact CD1-CH2 4.38Å; Y1005-W1009 AromaticContact CD1-CZ2 3.66Å; Y1005-W1009 HydrophobicContact CD1-CZ2 3.66Å; Y1005-W1009 AromaticContact CD1-NE1 3.93Å; Y1005-W1009 HydrophobicContact CE1-CZ2 4.42Å; Y1005-W1009 HydrophobicContact CG-CZ2 4.27Å; Y1005-W1009 VanDerWaalsContact O-CG 3.31Å; Y1005-W1009 PolarHBondContact O-N 3.19Å; Q1006-W1009 PolarHBondContact O-N 3.27Å; W1009-S1011 VanDerWaalsContact C-N 3.31Å; W1009-S1011 PolarHBondContact O-N 3.12Å; W1009-K1012 PolarHBondContact O-N 3.02Å; W1009-K1012 VanDerWaalsContact O-N 3.09Å; W1009-V1013 WeakPolarHBondContact O-CB 3.34Å; W1009-V1013 WeakPolarHBondContact O-CG2 3.4Å; W1009-V1013 PolarHBondContact O-N 2.99Å; W1009-I1066 HydrophobicContact CG-CD1 4.41Å; W1009-I1066 HydrophobicContact CG-CG2 4.42Å; W1009-D1070 HydrophobicContact CD2-CB 4.42Å; W1009-D1070 HydrophobicContact CE3-CB 4.4Å; W1009-D1070 HydrophobicContact CH2-CB 3.92Å; W1009-D1070 VanDerWaalsContact CH2-CG 3.42Å; W1009-D1070 WeakPolarHBondContact CH2-OD2 3.31Å; W1009-D1070 HydrophobicContact CZ2-CB 3.82Å; W1009-D1070 VanDerWaalsContact CZ2-OD2 3.26Å; W1009-D1070 WeakPolarHBondContact CZ2-OD2 3.34Å; W1009-D1070 HydrophobicContact CZ3-CB 4.27Å; W1009-T1074 HydrophobicContact CB-CG2 3.96Å; W1009-T1074 VanDerWaalsContact CB-OG1 3.24Å; W1009-T1074 WeakPolarHBondContact CB-OG1 3.31Å
1010	R	96.2	Very high	92.9	Very high	50 Å²	50	34.1 Å²	34.1	19%	0.189	19%	0.189	C	C	.	.	H	α-helix	trans	-54.6	-47.7	176.7	-71.9	177.1	-165.8	149.4	10.6	111.2	Q1006 Y1008 K1012 V1013 L1014 T1074 L1078 Y1106	Q1006-R1010 WeakPolarHBondContact O-CB 3.36Å; Q1006-R1010 VanDerWaalsContact O-CG 3.27Å; Q1006-R1010 WeakPolarHBondContact O-CG 3.33Å; Q1006-R1010 PolarHBondContact O-N 3.09Å; Y1008-R1010 PolarHBondContact O-N 2.92Å; R1010-K1012 VanDerWaalsContact C-N 3.28Å; R1010-K1012 PolarHBondContact O-N 3.17Å; R1010-V1013 PolarHBondContact O-N 3.08Å; R1010-L1014 WeakPolarHBondContact O-CB 3.37Å; R1010-L1014 PolarHBondContact O-N 3.16Å; R1010-T1074 HydrophobicContact CB-CG2 4.43Å; R1010-T1074 HydrophobicContact CG-CG2 3.94Å; R1010-L1078 HydrophobicContact CB-CD2 4.4Å; R1010-L1078 HydrophobicContact CG-CD1 4.47Å; R1010-L1078 HydrophobicContact CG-CD2 4.07Å; R1010-L1078 HydrophobicContact CG-CG 4.29Å; R1010-Y1106 HydrophobicContact CB-CE2 4.14Å; R1010-Y1106 WeakPolarHBondContact CB-OH 3.33Å
1011	S	95.2	Very high	92.1	Very high	15.2 Å²	15.2	31.9 Å²	31.9	11%	0.106	18%	0.176	C	C	.	.	H	α-helix	trans	-67.7	-19.6	179.3	70.6	0	0	0	0	115.2	R974 S1007 Y1008 W1009 P1015	R974-S1011 VanDerWaalsContact CZ-OG 3.27Å; R974-S1011 PolarHBondContact NH1-OG 3.07Å; R974-S1011 PolarHBondContact NH2-OG 3.28Å; S1007-S1011 VanDerWaalsContact O-CB 3.3Å; S1007-S1011 WeakPolarHBondContact O-CB 3.31Å; S1007-S1011 PolarHBondContact O-N 3.04Å; S1007-S1011 PolarHBondContact O-OG 3.06Å; S1007-S1011 VanDerWaalsContact O-OG 3.1Å; Y1008-S1011 PolarHBondContact O-N 3.11Å; Y1008-S1011 VanDerWaalsContact O-N 3.17Å; Y1008-S1011 PolarHBondContact O-OG 2.99Å; W1009-S1011 VanDerWaalsContact C-N 3.31Å; W1009-S1011 PolarHBondContact O-N 3.12Å; S1011-P1015 VanDerWaalsContact O-CD 3.32Å; S1011-P1015 WeakPolarHBondContact O-CD 3.33Å
1012	K	95.4	Very high	90.8	Very high	54.2 Å²	54.2	36.6 Å²	36.6	24%	0.236	20%	0.195	C	C	.	.	H	α-helix	trans	-95.1	-29.5	177.3	-67.9	-90.5	174	156.4	0	112.5	D978 Y1008 W1009 R1010 F1016 T1064 I1066	D978-K1012 WeakPolarHBondContact OD1-CE 3.25Å; D978-K1012 IonicContact OD1-NZ 3.14Å; D978-K1012 PolarHBondContact OD1-NZ 2.91Å; D978-K1012 VanDerWaalsContact OD2-CE 3.3Å; D978-K1012 WeakPolarHBondContact OD2-CE 3.32Å; D978-K1012 IonicContact OD2-NZ 2.97Å; D978-K1012 PolarHBondContact OD2-NZ 3.28Å; Y1008-K1012 HydrophobicContact CD1-CG 4.43Å; Y1008-K1012 HydrophobicContact CD2-CG 4.41Å; Y1008-K1012 HydrophobicContact CE1-CG 3.95Å; Y1008-K1012 HydrophobicContact CE2-CD 4.26Å; Y1008-K1012 VanDerWaalsContact CE2-CE 3.45Å; Y1008-K1012 HydrophobicContact CE2-CG 4.01Å; Y1008-K1012 WeakPolarHBondContact O-CG 3.32Å; Y1008-K1012 PolarHBondContact O-N 3.16Å; Y1008-K1012 VanDerWaalsContact O-N 3.11Å; Y1008-K1012 WeakPolarHBondContact OH-CE 3.47Å; Y1008-K1012 PolarHBondContact OH-NZ 2.77Å; W1009-K1012 PolarHBondContact O-N 3.02Å; W1009-K1012 VanDerWaalsContact O-N 3.09Å; R1010-K1012 VanDerWaalsContact C-N 3.28Å; R1010-K1012 PolarHBondContact O-N 3.17Å; K1012-F1016 VanDerWaalsContact O-CD2 3.26Å; K1012-F1016 WeakPolarHBondContact O-CD2 3.43Å; K1012-F1016 VanDerWaalsContact O-CE2 3.23Å; K1012-F1016 WeakPolarHBondContact O-CE2 3.33Å; K1012-T1064 HydrophobicContact CB-CG2 4.45Å; K1012-I1066 HydrophobicContact CB-CD1 4.2Å
1013	V	95.7	Very high	89.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-84.5	-37.6	178.2	173.3	0	0	0	0	112	W1009 R1010 P1015 F1016 L1017 I1060 I1066 V1071 T1074 I1075 L1078	W1009-V1013 WeakPolarHBondContact O-CB 3.34Å; W1009-V1013 WeakPolarHBondContact O-CG2 3.4Å; W1009-V1013 PolarHBondContact O-N 2.99Å; R1010-V1013 PolarHBondContact O-N 3.08Å; V1013-P1015 VanDerWaalsContact C-CD 3.47Å; V1013-F1016 WeakPolarHBondContact O-CB 3.35Å; V1013-F1016 PolarHBondContact O-N 3.19Å; V1013-F1016 VanDerWaalsContact O-N 3.11Å; V1013-L1017 HydrophobicContact CG1-CD1 4.29Å; V1013-L1017 HydrophobicContact CG1-CG 4.4Å; V1013-L1017 PolarHBondContact O-N 3.28Å; V1013-I1060 HydrophobicContact CG2-CG2 4.11Å; V1013-I1066 HydrophobicContact CG2-CD1 4.48Å; V1013-V1071 HydrophobicContact CG2-CG1 4.5Å; V1013-T1074 HydrophobicContact CB-CG2 3.91Å; V1013-T1074 HydrophobicContact CG1-CG2 4.26Å; V1013-T1074 HydrophobicContact CG2-CG2 3.88Å; V1013-I1075 HydrophobicContact CG1-CG1 3.77Å; V1013-L1078 HydrophobicContact CG1-CD1 4.46Å
1014	L	94.2	Very high	87.2	Confident	3.8 Å²	3.8	35.5 Å²	35.5	2%	0.02	19%	0.193	C	C	.	.	H	α-helix	trans	-54.3	-40.3	-176.7	-179.9	64.7	0	0	0	114.9	R1010 F1016 L1017 L1018 L1078 L1099 L1102 Q1103 Y1106	R1010-L1014 WeakPolarHBondContact O-CB 3.37Å; R1010-L1014 PolarHBondContact O-N 3.16Å; L1014-F1016 VanDerWaalsContact C-N 3.3Å; L1014-F1016 PolarHBondContact O-N 3.14Å; L1014-L1017 PolarHBondContact O-N 3.23Å; L1014-L1018 HydrophobicContact CD1-CD1 3.76Å; L1014-L1018 HydrophobicContact CD1-CG 4.11Å; L1014-L1018 HydrophobicContact CD2-CD1 4.38Å; L1014-L1018 HydrophobicContact CG-CD1 3.74Å; L1014-L1018 HydrophobicContact CG-CG 4.46Å; L1014-L1018 WeakPolarHBondContact O-CG 3.4Å; L1014-L1018 PolarHBondContact O-N 3.04Å; L1014-L1078 HydrophobicContact CB-CD1 4.43Å; L1014-L1078 HydrophobicContact CD1-CD1 4.47Å; L1014-L1099 HydrophobicContact CD1-CB 3.98Å; L1014-L1099 HydrophobicContact CD1-CD1 4.38Å; L1014-L1099 HydrophobicContact CD1-CD2 3.79Å; L1014-L1099 HydrophobicContact CD1-CG 4.26Å; L1014-L1102 HydrophobicContact CD1-CD2 4.38Å; L1014-L1102 HydrophobicContact CD2-CB 3.92Å; L1014-L1102 HydrophobicContact CD2-CD2 4.03Å; L1014-L1102 HydrophobicContact CD2-CG 4.06Å; L1014-Q1103 HydrophobicContact CD2-CB 4.2Å; L1014-Y1106 HydrophobicContact CD2-CD2 3.97Å; L1014-Y1106 HydrophobicContact CD2-CE2 4.37Å
1015	P	92	Very high	85.1	Confident	69 Å²	69	41.5 Å²	41.5	45%	0.448	21%	0.214	S	C	.	.	H	α-helix	trans	-60.9	-34.6	177.1	-25.7	36.4	0	0	0	113.9	S1011 V1013 L1018 C1019	S1011-P1015 VanDerWaalsContact O-CD 3.32Å; S1011-P1015 WeakPolarHBondContact O-CD 3.33Å; V1013-P1015 VanDerWaalsContact C-CD 3.47Å; P1015-L1018 PolarHBondContact O-N 3.03Å; P1015-C1019 VanDerWaalsContact O-CB 3.3Å; P1015-C1019 WeakPolarHBondContact O-CB 3.3Å; P1015-C1019 PolarHBondContact O-N 3.06Å
1016	F	91.8	Very high	82.8	Confident	44 Å²	44	47.4 Å²	47.4	19%	0.193	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-49.5	177	-65.9	-92	0	0	0	110.8	K1012 V1013 L1014 L1018 C1019 S1020 I1055 I1060 T1063 T1064	K1012-F1016 VanDerWaalsContact O-CD2 3.26Å; K1012-F1016 WeakPolarHBondContact O-CD2 3.43Å; K1012-F1016 VanDerWaalsContact O-CE2 3.23Å; K1012-F1016 WeakPolarHBondContact O-CE2 3.33Å; V1013-F1016 WeakPolarHBondContact O-CB 3.35Å; V1013-F1016 PolarHBondContact O-N 3.19Å; V1013-F1016 VanDerWaalsContact O-N 3.11Å; L1014-F1016 VanDerWaalsContact C-N 3.3Å; L1014-F1016 PolarHBondContact O-N 3.14Å; F1016-L1018 VanDerWaalsContact C-N 3.29Å; F1016-L1018 PolarHBondContact O-N 3.23Å; F1016-C1019 WeakPolarHBondContact O-CB 3.44Å; F1016-C1019 PolarHBondContact O-N 3.21Å; F1016-S1020 PolarHBondContact O-N 3.18Å; F1016-S1020 VanDerWaalsContact O-N 3.12Å; F1016-S1020 PolarHBondContact O-OG 3.13Å; F1016-I1055 HydrophobicContact CB-CD1 4.08Å; F1016-I1055 HydrophobicContact CB-CG2 4.45Å; F1016-I1055 HydrophobicContact CD1-CD1 4.29Å; F1016-I1055 WeakPolarHBondContact O-CD1 3.32Å; F1016-I1060 HydrophobicContact CB-CD1 4.2Å; F1016-I1060 HydrophobicContact CB-CG1 4.09Å; F1016-I1060 HydrophobicContact CD1-CG1 4.08Å; F1016-I1060 HydrophobicContact CD2-CG1 4.43Å; F1016-I1060 HydrophobicContact CD2-CG2 4.22Å; F1016-I1060 HydrophobicContact CE2-CG2 4.37Å; F1016-I1060 HydrophobicContact CG-CD1 4.48Å; F1016-I1060 HydrophobicContact CG-CG1 3.96Å; F1016-T1063 HydrophobicContact CE1-CG2 4.11Å; F1016-T1063 HydrophobicContact CZ-CG2 3.74Å; F1016-T1064 HydrophobicContact CE2-CG2 3.73Å; F1016-T1064 HydrophobicContact CZ-CG2 4.08Å
1017	L	89.8	Confident	80.5	Confident	16.6 Å²	16.6	50.6 Å²	50.6	9%	0.087	26%	0.263	C	S	.	.	H	α-helix	trans	-57.1	-43.5	176.9	-60	177.8	0	0	0	111.5	V1013 L1014 C1019 S1020 M1021 I1055 I1075 L1078 F1094 L1099	V1013-L1017 HydrophobicContact CG1-CD1 4.29Å; V1013-L1017 HydrophobicContact CG1-CG 4.4Å; V1013-L1017 PolarHBondContact O-N 3.28Å; L1014-L1017 PolarHBondContact O-N 3.23Å; L1017-C1019 VanDerWaalsContact C-N 3.31Å; L1017-C1019 PolarHBondContact O-N 3.21Å; L1017-S1020 WeakPolarHBondContact O-CB 3.34Å; L1017-S1020 PolarHBondContact O-N 3.37Å; L1017-M1021 HydrophobicContact CB-CE 4.28Å; L1017-M1021 VanDerWaalsContact O-CE 3.26Å; L1017-M1021 WeakPolarHBondContact O-CE 3.43Å; L1017-M1021 WeakPolarHBondContact O-CG 3.22Å; L1017-M1021 PolarHBondContact O-N 3.11Å; L1017-M1021 VanDerWaalsContact O-N 3.15Å; L1017-I1055 HydrophobicContact CD2-CD1 4.02Å; L1017-I1075 HydrophobicContact CD2-CG1 4.47Å; L1017-L1078 HydrophobicContact CD1-CB 4.41Å; L1017-L1078 HydrophobicContact CD1-CD1 3.9Å; L1017-F1094 HydrophobicContact CD1-CD1 4.44Å; L1017-F1094 HydrophobicContact CD1-CE1 4.09Å; L1017-F1094 HydrophobicContact CD1-CZ 4.41Å; L1017-F1094 HydrophobicContact CD2-CZ 4.28Å; L1017-L1099 HydrophobicContact CB-CD1 4.41Å
1018	L	89.6	Confident	78	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-74	-28.7	-179.9	-73.2	169.4	0	0	0	113.9	L1014 P1015 F1016 M1021 K1022 L1096 L1099 L1100 Q1103	L1014-L1018 HydrophobicContact CD1-CD1 3.76Å; L1014-L1018 HydrophobicContact CD1-CG 4.11Å; L1014-L1018 HydrophobicContact CD2-CD1 4.38Å; L1014-L1018 HydrophobicContact CG-CD1 3.74Å; L1014-L1018 HydrophobicContact CG-CG 4.46Å; L1014-L1018 WeakPolarHBondContact O-CG 3.4Å; L1014-L1018 PolarHBondContact O-N 3.04Å; P1015-L1018 PolarHBondContact O-N 3.03Å; F1016-L1018 VanDerWaalsContact C-N 3.29Å; F1016-L1018 PolarHBondContact O-N 3.23Å; L1018-M1021 HydrophobicContact CD2-CE 3.81Å; L1018-M1021 HydrophobicContact CG-CE 4.34Å; L1018-M1021 PolarHBondContact O-N 3.25Å; L1018-K1022 WeakPolarHBondContact O-CB 3.41Å; L1018-K1022 VanDerWaalsContact O-CD 3.29Å; L1018-K1022 WeakPolarHBondContact O-CD 3.45Å; L1018-K1022 VanDerWaalsContact O-CG 3.26Å; L1018-K1022 WeakPolarHBondContact O-CG 3.28Å; L1018-K1022 PolarHBondContact O-N 3.19Å; L1018-K1022 VanDerWaalsContact O-N 3.16Å; L1018-L1096 HydrophobicContact CD2-CD1 3.71Å; L1018-L1099 HydrophobicContact CD1-CB 4.47Å; L1018-L1099 HydrophobicContact CD2-CB 3.94Å; L1018-L1099 HydrophobicContact CD2-CD1 4.27Å; L1018-L1099 HydrophobicContact CG-CB 4.38Å; L1018-L1100 HydrophobicContact CD1-CD2 4.43Å; L1018-L1100 HydrophobicContact CD2-CD2 3.98Å; L1018-L1100 HydrophobicContact CD2-CG 4.19Å; L1018-Q1103 HydrophobicContact CD1-CB 3.74Å; L1018-Q1103 HydrophobicContact CD1-CG 4.19Å; L1018-Q1103 VanDerWaalsContact CD1-OE1 3.28Å
1019	C	84.7	Confident	75.4	Confident	54.8 Å²	54.8	60 Å²	60	37%	0.37	32%	0.317	S	S	.	.	H	α-helix	trans	-62.4	-51.4	171.4	-164.8	0	0	0	0	110.3	P1015 F1016 L1017 M1021 K1022 D1023	P1015-C1019 VanDerWaalsContact O-CB 3.3Å; P1015-C1019 WeakPolarHBondContact O-CB 3.3Å; P1015-C1019 PolarHBondContact O-N 3.06Å; F1016-C1019 WeakPolarHBondContact O-CB 3.44Å; F1016-C1019 PolarHBondContact O-N 3.21Å; L1017-C1019 VanDerWaalsContact C-N 3.31Å; L1017-C1019 PolarHBondContact O-N 3.21Å; C1019-M1021 VanDerWaalsContact C-N 3.26Å; C1019-M1021 PolarHBondContact O-N 3.15Å; C1019-M1021 VanDerWaalsContact O-N 3.1Å; C1019-K1022 PolarHBondContact O-N 2.97Å; C1019-K1022 VanDerWaalsContact O-N 3.17Å; C1019-D1023 PolarHBondContact O-N 2.96Å; C1019-D1023 VanDerWaalsContact O-N 3.07Å
1020	S	78.2	Confident	72.4	Confident	21.2 Å²	21.2	65.2 Å²	65.2	15%	0.148	35%	0.351	C	S	.	.	H	α-helix	trans	-55.7	-36.4	178.3	-86.6	0	0	0	0	113.2	F1016 L1017 K1022 C1024 F1053 I1055	F1016-S1020 PolarHBondContact O-N 3.18Å; F1016-S1020 VanDerWaalsContact O-N 3.12Å; F1016-S1020 PolarHBondContact O-OG 3.13Å; L1017-S1020 WeakPolarHBondContact O-CB 3.34Å; L1017-S1020 PolarHBondContact O-N 3.37Å; S1020-K1022 PolarHBondContact O-N 3.09Å; S1020-C1024 PolarHBondContact O-N 2.85Å; S1020-C1024 PolarHBondContact O-SG 3.06Å; S1020-C1024 VanDerWaalsContact O-SG 3.41Å; S1020-F1053 WeakPolarHBondContact OG-CD1 3.34Å; S1020-F1053 WeakPolarHBondContact OG-CE1 3.34Å; S1020-F1053 PolarHBondContact OG-O 2.98Å; S1020-I1055 WeakPolarHBondContact OG-CD1 3.33Å; S1020-I1055 VanDerWaalsContact OG-CG1 3.25Å; S1020-I1055 WeakPolarHBondContact OG-CG1 3.42Å
1021	M	74.4	Confident	69.4	Low	35.6 Å²	35.6	70.5 Å²	70.5	18%	0.175	38%	0.379	C	S	.	.	H	α-helix	trans	-83.2	-28.3	180	-68.1	-176.8	-70.5	0	0	113.9	L1017 L1018 C1019 C1024 F1094 L1096 L1099	L1017-M1021 HydrophobicContact CB-CE 4.28Å; L1017-M1021 VanDerWaalsContact O-CE 3.26Å; L1017-M1021 WeakPolarHBondContact O-CE 3.43Å; L1017-M1021 WeakPolarHBondContact O-CG 3.22Å; L1017-M1021 PolarHBondContact O-N 3.11Å; L1017-M1021 VanDerWaalsContact O-N 3.15Å; L1018-M1021 HydrophobicContact CD2-CE 3.81Å; L1018-M1021 HydrophobicContact CG-CE 4.34Å; L1018-M1021 PolarHBondContact O-N 3.25Å; C1019-M1021 VanDerWaalsContact C-N 3.26Å; C1019-M1021 PolarHBondContact O-N 3.15Å; C1019-M1021 VanDerWaalsContact O-N 3.1Å; M1021-C1024 WeakPolarHBondContact O-CB 3.37Å; M1021-C1024 PolarHBondContact O-N 2.83Å; M1021-F1094 HydrophobicContact CE-CB 4.37Å; M1021-F1094 HydrophobicContact SD-CB 4.5Å; M1021-L1096 HydrophobicContact CB-CD1 4.25Å; M1021-L1096 HydrophobicContact CE-CB 3.88Å; M1021-L1096 HydrophobicContact CE-CD1 3.97Å; M1021-L1096 HydrophobicContact CE-CG 4.42Å; M1021-L1096 HydrophobicContact SD-CD1 4.01Å; M1021-L1099 HydrophobicContact CE-CD1 3.54Å; M1021-L1099 VanDerWaalsContact CE-CD1 3.49Å; M1021-L1099 HydrophobicContact SD-CD1 4.23Å
1022	K	67.5	Low	66.4	Low	106.8 Å²	106.8	74.9 Å²	74.9	46%	0.464	41%	0.408	S	S	.	.	H	α-helix	trans	-74.7	-33.2	-179.9	-75.5	169.7	-172.6	173.4	0	112.2	L1018 C1019 S1020 C1024 K1025	L1018-K1022 WeakPolarHBondContact O-CB 3.41Å; L1018-K1022 VanDerWaalsContact O-CD 3.29Å; L1018-K1022 WeakPolarHBondContact O-CD 3.45Å; L1018-K1022 VanDerWaalsContact O-CG 3.26Å; L1018-K1022 WeakPolarHBondContact O-CG 3.28Å; L1018-K1022 PolarHBondContact O-N 3.19Å; L1018-K1022 VanDerWaalsContact O-N 3.16Å; C1019-K1022 PolarHBondContact O-N 2.97Å; C1019-K1022 VanDerWaalsContact O-N 3.17Å; S1020-K1022 PolarHBondContact O-N 3.09Å; K1022-C1024 VanDerWaalsContact C-N 3.32Å; K1022-C1024 PolarHBondContact O-N 2.99Å; K1022-K1025 WeakPolarHBondContact O-CB 3.45Å; K1022-K1025 PolarHBondContact O-N 3.45Å; K1022-K1025 VanDerWaalsContact O-N 3.09Å
1023	D	58.1	Low	63.3	Low	91 Å²	91	79.4 Å²	79.4	49%	0.487	43%	0.434	S	S	.	.	S	Bend	trans	-78.6	-14	176.4	-74.7	-31.7	0	0	0	113.6	C1019 K1025 L1026 F1053	C1019-D1023 PolarHBondContact O-N 2.96Å; C1019-D1023 VanDerWaalsContact O-N 3.07Å; D1023-K1025 VanDerWaalsContact C-N 3.34Å; D1023-K1025 PolarHBondContact O-N 3.18Å; D1023-K1025 WeakPolarHBondContact OD1-CE 3.21Å; D1023-K1025 IonicContact OD1-NZ 2.69Å; D1023-K1025 PolarHBondContact OD1-NZ 2.77Å; D1023-L1026 PolarHBondContact O-N 3.39Å; D1023-F1053 HydrophobicContact CB-CD2 4.17Å; D1023-F1053 HydrophobicContact CB-CE2 4.43Å; D1023-F1053 WeakPolarHBondContact OD2-CE2 3.23Å
1024	C	52.6	Low	60.3	Low	47.8 Å²	47.8	85.3 Å²	85.3	32%	0.323	47%	0.474	S	S	.	.			trans	-67.4	70.6	168.3	-73	0	0	0	0	111.8	S1020 M1021 K1022 L1026 L1027 F1050 F1722	S1020-C1024 PolarHBondContact O-N 2.85Å; S1020-C1024 PolarHBondContact O-SG 3.06Å; S1020-C1024 VanDerWaalsContact O-SG 3.41Å; M1021-C1024 WeakPolarHBondContact O-CB 3.37Å; M1021-C1024 PolarHBondContact O-N 2.83Å; K1022-C1024 VanDerWaalsContact C-N 3.32Å; K1022-C1024 PolarHBondContact O-N 2.99Å; C1024-L1026 PolarHBondContact O-N 3.1Å; C1024-L1027 PolarHBondContact O-N 2.82Å; C1024-F1050 HydrophobicContact CB-CZ 3.98Å; C1024-F1722 HydrophobicContact CB-CZ 4.44Å
1025	K	50.4	Low	57.3	Low	162.8 Å²	162.8	92.8 Å²	92.8	71%	0.708	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-66	1.9	-176.1	-67	-175.1	177	178.8	0	116.4	K1022 D1023 L1027 N1028 L1096	K1022-K1025 WeakPolarHBondContact O-CB 3.45Å; K1022-K1025 PolarHBondContact O-N 3.45Å; K1022-K1025 VanDerWaalsContact O-N 3.09Å; D1023-K1025 VanDerWaalsContact C-N 3.34Å; D1023-K1025 PolarHBondContact O-N 3.18Å; D1023-K1025 WeakPolarHBondContact OD1-CE 3.21Å; D1023-K1025 IonicContact OD1-NZ 2.69Å; D1023-K1025 PolarHBondContact OD1-NZ 2.77Å; K1025-L1027 VanDerWaalsContact C-N 3.28Å; K1025-L1027 PolarHBondContact O-N 3.09Å; K1025-N1028 PolarHBondContact O-N 3.15Å; K1025-N1028 VanDerWaalsContact O-N 3.14Å; K1025-L1096 HydrophobicContact CD-CD2 4.45Å
1026	L	48.8	Very low	54.7	Low	124.2 Å²	124.2	95.9 Å²	95.9	65%	0.65	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-71.3	-21	173.4	-76	169.3	0	0	0	113.4	D1023 C1024 N1028 S1029 F1050	D1023-L1026 PolarHBondContact O-N 3.39Å; C1024-L1026 PolarHBondContact O-N 3.1Å; L1026-N1028 VanDerWaalsContact C-N 3.29Å; L1026-N1028 PolarHBondContact O-N 2.92Å; L1026-S1029 WeakPolarHBondContact O-CB 3.33Å; L1026-S1029 PolarHBondContact O-N 3.16Å; L1026-S1029 PolarHBondContact O-OG 3.28Å; L1026-S1029 VanDerWaalsContact O-OG 3.12Å; L1026-F1050 HydrophobicContact CD1-CD2 4Å; L1026-F1050 HydrophobicContact CD1-CE1 4.47Å; L1026-F1050 HydrophobicContact CD1-CE2 4.04Å; L1026-F1050 HydrophobicContact CD1-CZ 4.06Å; L1026-F1050 HydrophobicContact CG-CD2 4.36Å; L1026-F1050 HydrophobicContact CG-CE2 3.9Å
1027	L	48.2	Very low	52	Low	112.2 Å²	112.2	101.3 Å²	101.3	59%	0.587	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-79	-14.9	-178.3	-98.2	146.3	0	0	0	115	C1024 K1025 S1029 L1096 F1720	C1024-L1027 PolarHBondContact O-N 2.82Å; K1025-L1027 VanDerWaalsContact C-N 3.28Å; K1025-L1027 PolarHBondContact O-N 3.09Å; L1027-S1029 PolarHBondContact O-N 3.33Å; L1027-L1096 HydrophobicContact CD1-CD2 3.62Å; L1027-L1096 VanDerWaalsContact CD1-CD2 3.45Å; L1027-L1096 HydrophobicContact CD2-CD2 4.09Å; L1027-F1720 HydrophobicContact CD2-CE2 4.29Å; L1027-F1720 HydrophobicContact CD2-CZ 4.33Å
1028	N	41.2	Very low	49.5	Very low	145.6 Å²	145.6	105.6 Å²	105.6	78%	0.779	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	7.5	-177.8	-75.3	-12.3	0	0	0	113.9	K1025 L1026 T1030	K1025-N1028 PolarHBondContact O-N 3.15Å; K1025-N1028 VanDerWaalsContact O-N 3.14Å; L1026-N1028 VanDerWaalsContact C-N 3.29Å; L1026-N1028 PolarHBondContact O-N 2.92Å; N1028-T1030 PolarHBondContact O-N 3.09Å; N1028-T1030 VanDerWaalsContact O-N 3.12Å
1029	S	41.5	Very low	46.9	Very low	89.6 Å²	89.6	113 Å²	113	63%	0.627	63%	0.629	S	S	*	*			trans	-86.7	54.1	-179.8	19.5	0	0	0	0	113	L1026 L1027 M1031	L1026-S1029 WeakPolarHBondContact O-CB 3.33Å; L1026-S1029 PolarHBondContact O-N 3.16Å; L1026-S1029 PolarHBondContact O-OG 3.28Å; L1026-S1029 VanDerWaalsContact O-OG 3.12Å; L1027-S1029 PolarHBondContact O-N 3.33Å; S1029-M1031 PolarHBondContact O-N 2.83Å
1030	T	35.5	Very low	44.6	Very low	123 Å²	123	116.2 Å²	116.2	76%	0.755	65%	0.65	S	S	*	*			trans	-101.8	88.2	176.4	-48.1	0	0	0	0	111.6	N1028 P1032	N1028-T1030 PolarHBondContact O-N 3.09Å; N1028-T1030 VanDerWaalsContact O-N 3.12Å; T1030-P1032 VanDerWaalsContact O-CD 3.28Å; T1030-P1032 WeakPolarHBondContact O-CD 3.47Å
1031	M	32.2	Very low	42.4	Very low	160.2 Å²	160.2	123.8 Å²	123.8	79%	0.789	69%	0.688	S	S	*	*			trans	-86.2	131.9	168	-75.4	-71.3	111	0	0	111.6	S1029 N1033 C1034	S1029-M1031 PolarHBondContact O-N 2.83Å; M1031-N1033 PolarHBondContact O-N 2.88Å; M1031-N1033 VanDerWaalsContact O-N 3.16Å; M1031-C1034 HydrophobicContact CE-CB 4.26Å
1032	P	32.1	Very low	40.6	Very low	108.4 Å²	108.4	126 Å²	126	70%	0.704	71%	0.712	S	S	*	*			trans	-104.3	144.4	147.2	35.5	-31.8	0	0	0	112.7	T1030	T1030-P1032 VanDerWaalsContact O-CD 3.28Å; T1030-P1032 WeakPolarHBondContact O-CD 3.47Å
1033	N	31.4	Very low	39.1	Very low	148.8 Å²	148.8	128.2 Å²	128.2	80%	0.796	73%	0.729	S	S	*	*			trans	19.2	104.7	167.6	-60.4	-2.8	0	0	0	115.1	M1031	M1031-N1033 PolarHBondContact O-N 2.88Å; M1031-N1033 VanDerWaalsContact O-N 3.16Å
1034	C	31.8	Very low	38	Very low	124.8 Å²	124.8	129.6 Å²	129.6	84%	0.843	74%	0.744	S	S	*	*			trans	-132	112.4	146.3	-166.9	0	0	0	0	108.1	M1031	M1031-C1034 HydrophobicContact CE-CB 4.26Å
1035	E	31.3	Very low	37.1	Very low	161.2 Å²	161.2	134.3 Å²	134.3	75%	0.753	77%	0.77	S	S	*	*			trans	-95.9	148.7	175.3	-65	176.6	169.9	0	0	109.2
1036	T	37.1	Very low	36.1	Very low	133 Å²	133	129.7 Å²	129.7	82%	0.816	77%	0.768	S	S	*	*			trans	63.4	104.8	168.8	46.3	0	0	0	0	115.4
1037	D	35.2	Very low	35.4	Very low	158.4 Å²	158.4	129.6 Å²	129.6	85%	0.847	78%	0.778	S	S	*	*				-133.2	140.5	117.4	-89.4	-39.8	0	0	0	110.8
1038	S	37	Very low	34.8	Very low	106 Å²	106	132 Å²	132	74%	0.741	79%	0.79	S	S	*	*			trans	-109.5	89.3	-178.9	66.3	0	0	0	0	112.4
1039	D	34.9	Very low	34.3	Very low	158 Å²	158	128.1 Å²	128.1	85%	0.845	79%	0.785	S	S	*	*			trans	-162.6	59.7	168.5	-88.5	-11.4	0	0	0	114.3
1040	C	36.4	Very low	34.1	Very low	121.2 Å²	121.2	129.9 Å²	129.9	82%	0.819	78%	0.782	S	S	*	*			trans	-144.2	19.7	166.1	62.9	0	0	0	0	115.7	A1042	C1040-A1042 VanDerWaalsContact C-N 3.25Å; C1040-A1042 PolarHBondContact O-N 3.09Å
1041	L	32.2	Very low	34.4	Very low	180.6 Å²	180.6	134.6 Å²	134.6	95%	0.946	79%	0.785	S	S	*	*			trans	-93.9	34.8	-177.6	-98	170.4	0	0	0	114.6
1042	A	36.4	Very low	35.2	Very low	82 Å²	82	132.3 Å²	132.3	68%	0.678	78%	0.776	S	S	*	*			trans	-140.6	65.9	178.9	0	0	0	0	0	113.8	C1040 P1044	C1040-A1042 VanDerWaalsContact C-N 3.25Å; C1040-A1042 PolarHBondContact O-N 3.09Å; A1042-P1044 VanDerWaalsContact O-CD 3.29Å; A1042-P1044 WeakPolarHBondContact O-CD 3.49Å
1043	N	35.8	Very low	36.4	Very low	153 Å²	153	131.5 Å²	131.5	82%	0.818	76%	0.762	S	S	*	*			trans	-160.5	97.7	160.2	-94	-33	0	0	0	111.9	V1045	N1043-V1045 PolarHBondContact O-N 3.12Å
1044	P	35.3	Very low	38.4	Very low	121.8 Å²	121.8	129 Å²	129	79%	0.791	75%	0.752	S	S	*	*			trans	-79.2	112.2	170.3	33.8	-34.2	0	0	0	111.6	A1042 G1046	A1042-P1044 VanDerWaalsContact O-CD 3.29Å; A1042-P1044 WeakPolarHBondContact O-CD 3.49Å; P1044-G1046 PolarHBondContact O-N 3.2Å; P1044-G1046 VanDerWaalsContact O-N 3.15Å
1045	V	34.7	Very low	40.8	Very low	146.2 Å²	146.2	124.6 Å²	124.6	89%	0.886	72%	0.72	S	S	*	*	S	Bend	trans	80.1	89.9	174.7	-169.3	0	0	0	0	113	N1043	N1043-V1045 PolarHBondContact O-N 3.12Å
1046	G	29.8	Very low	43.7	Very low	64.8 Å²	64.8	119.8 Å²	119.8	67%	0.668	70%	0.701	S	S	*	*	S	Bend	trans	156.3	74	168	0	0	0	0	0	115.7	P1044 I1048	P1044-G1046 PolarHBondContact O-N 3.2Å; P1044-G1046 VanDerWaalsContact O-N 3.15Å; G1046-I1048 PolarHBondContact O-N 2.98Å
1047	S	33.7	Very low	46.4	Very low	123 Å²	123	116.1 Å²	116.1	86%	0.86	68%	0.676	S	S	*	*			trans	-38.5	85.4	171.6	-72	0	0	0	0	115.1	G1049	S1047-G1049 VanDerWaalsContact C-N 3.33Å; S1047-G1049 PolarHBondContact O-N 3.03Å
1048	I	34.4	Very low	49.2	Very low	161.6 Å²	161.6	114.8 Å²	114.8	83%	0.829	67%	0.665	S	S	*	*			trans	-72.5	100.5	160.1	-61.8	176.1	0	0	0	107.3	G1046 F1050	G1046-I1048 PolarHBondContact O-N 2.98Å; I1048-F1050 HydrophobicContact CG2-CD2 4.18Å; I1048-F1050 HydrophobicContact CG2-CE2 4.24Å; I1048-F1050 PolarHBondContact O-N 3.19Å
1049	G	30.9	Very low	51.9	Low	65.2 Å²	65.2	113.6 Å²	113.6	67%	0.672	65%	0.647	S	S	*	*			trans	-65.7	87.7	175.7	0	0	0	0	0	114.3	S1047 R1051	S1047-G1049 VanDerWaalsContact C-N 3.33Å; S1047-G1049 PolarHBondContact O-N 3.03Å; G1049-R1051 PolarHBondContact O-N 3.01Å; G1049-R1051 VanDerWaalsContact O-N 3.14Å
1050	F	38.4	Very low	54.7	Low	127.4 Å²	127.4	106.2 Å²	106.2	56%	0.559	61%	0.608	S	S	*	*			trans	-55.9	120	160.3	-108.8	-102.5	0	0	0	108.5	C1024 L1026 I1048 D1052 F1722	C1024-F1050 HydrophobicContact CB-CZ 3.98Å; L1026-F1050 HydrophobicContact CD1-CD2 4Å; L1026-F1050 HydrophobicContact CD1-CE1 4.47Å; L1026-F1050 HydrophobicContact CD1-CE2 4.04Å; L1026-F1050 HydrophobicContact CD1-CZ 4.06Å; L1026-F1050 HydrophobicContact CG-CD2 4.36Å; L1026-F1050 HydrophobicContact CG-CE2 3.9Å; I1048-F1050 HydrophobicContact CG2-CD2 4.18Å; I1048-F1050 HydrophobicContact CG2-CE2 4.24Å; I1048-F1050 PolarHBondContact O-N 3.19Å; F1050-D1052 VanDerWaalsContact C-N 3.28Å; F1050-D1052 WeakPolarHBondContact CB-OD1 3.33Å; F1050-D1052 WeakPolarHBondContact CB-OD2 3.43Å; F1050-D1052 WeakPolarHBondContact CD1-OD1 3.35Å; F1050-D1052 WeakPolarHBondContact CG-OD1 3.44Å; F1050-D1052 PolarHBondContact O-N 2.96Å; F1050-D1052 VanDerWaalsContact O-N 3.14Å; F1050-F1722 HydrophobicContact CE1-CE1 4.32Å; F1050-F1722 HydrophobicContact CZ-CE1 4.34Å
1051	R	40.5	Very low	57.6	Low	220.4 Å²	220.4	100.5 Å²	100.5	83%	0.832	57%	0.569	S	S	*	*			trans	-81.2	87.6	159.3	-79.7	-172.8	173.9	177.8	-0.8	106.8	G1049 F1053	G1049-R1051 PolarHBondContact O-N 3.01Å; G1049-R1051 VanDerWaalsContact O-N 3.14Å; R1051-F1053 VanDerWaalsContact C-N 3.32Å; R1051-F1053 PolarHBondContact O-N 3.07Å; R1051-F1053 VanDerWaalsContact O-N 3.11Å
1052	D	49.6	Very low	60.6	Low	113 Å²	113	95.6 Å²	95.6	60%	0.604	55%	0.55	S	S	*	*			trans	-57.6	107.1	172	-66.5	-45.7	0	0	0	109	F1050 V1054	F1050-D1052 VanDerWaalsContact C-N 3.28Å; F1050-D1052 WeakPolarHBondContact CB-OD1 3.33Å; F1050-D1052 WeakPolarHBondContact CB-OD2 3.43Å; F1050-D1052 WeakPolarHBondContact CD1-OD1 3.35Å; F1050-D1052 WeakPolarHBondContact CG-OD1 3.44Å; F1050-D1052 PolarHBondContact O-N 2.96Å; F1050-D1052 VanDerWaalsContact O-N 3.14Å; D1052-V1054 VanDerWaalsContact C-N 3.29Å; D1052-V1054 HydrophobicContact CB-CG2 4.04Å; D1052-V1054 PolarHBondContact O-N 3.2Å
1053	F	57.5	Low	63.3	Low	92 Å²	92	95.5 Å²	95.5	40%	0.404	54%	0.541	S	S	.	.			trans	-81.2	74.5	179.4	-154.3	-76.5	0	0	0	109.1	S1020 D1023 R1051 I1055 P1511	S1020-F1053 WeakPolarHBondContact OG-CD1 3.34Å; S1020-F1053 WeakPolarHBondContact OG-CE1 3.34Å; S1020-F1053 PolarHBondContact OG-O 2.98Å; D1023-F1053 HydrophobicContact CB-CD2 4.17Å; D1023-F1053 HydrophobicContact CB-CE2 4.43Å; D1023-F1053 WeakPolarHBondContact OD2-CE2 3.23Å; R1051-F1053 VanDerWaalsContact C-N 3.32Å; R1051-F1053 PolarHBondContact O-N 3.07Å; R1051-F1053 VanDerWaalsContact O-N 3.11Å; F1053-I1055 VanDerWaalsContact C-N 3.34Å; F1053-I1055 HydrophobicContact CD1-CD1 4.24Å; F1053-I1055 HydrophobicContact CD1-CG1 3.87Å; F1053-I1055 HydrophobicContact CE1-CD1 3.85Å; F1053-I1055 HydrophobicContact CE1-CG1 3.75Å; F1053-I1055 PolarHBondContact O-N 2.94Å; F1053-P1511 HydrophobicContact CE2-CG 4.38Å; F1053-P1511 HydrophobicContact CZ-CG 3.99Å
1054	V	73.2	Confident	66.2	Low	96.4 Å²	96.4	88.6 Å²	88.6	58%	0.584	50%	0.504	S	S	*	.			trans	-76.7	94.7	-179.5	-176.1	0	0	0	0	109.7	D1052 T1056 Y1725	D1052-V1054 VanDerWaalsContact C-N 3.29Å; D1052-V1054 HydrophobicContact CB-CG2 4.04Å; D1052-V1054 PolarHBondContact O-N 3.2Å; V1054-T1056 HydrophobicContact CG1-CG2 4.32Å; V1054-Y1725 HydrophobicContact CG2-CD2 4.48Å
1055	I	83.1	Confident	69.1	Low	31.2 Å²	31.2	82.9 Å²	82.9	16%	0.16	47%	0.468	C	S	.	.			trans	-75.4	134.8	164.2	-58.4	-179.5	0	0	0	109	F1016 L1017 S1020 F1053 E1059 I1060	F1016-I1055 HydrophobicContact CB-CD1 4.08Å; F1016-I1055 HydrophobicContact CB-CG2 4.45Å; F1016-I1055 HydrophobicContact CD1-CD1 4.29Å; F1016-I1055 WeakPolarHBondContact O-CD1 3.32Å; L1017-I1055 HydrophobicContact CD2-CD1 4.02Å; S1020-I1055 WeakPolarHBondContact OG-CD1 3.33Å; S1020-I1055 VanDerWaalsContact OG-CG1 3.25Å; S1020-I1055 WeakPolarHBondContact OG-CG1 3.42Å; F1053-I1055 VanDerWaalsContact C-N 3.34Å; F1053-I1055 HydrophobicContact CD1-CD1 4.24Å; F1053-I1055 HydrophobicContact CD1-CG1 3.87Å; F1053-I1055 HydrophobicContact CE1-CD1 3.85Å; F1053-I1055 HydrophobicContact CE1-CG1 3.75Å; F1053-I1055 PolarHBondContact O-N 2.94Å; I1055-E1059 WeakPolarHBondContact CA-OE2 3.31Å; I1055-I1060 HydrophobicContact CG2-CD1 3.73Å; I1055-I1060 HydrophobicContact CG2-CG1 3.67Å
1056	T	91.3	Very high	72.1	Confident	60.8 Å²	60.8	75.9 Å²	75.9	37%	0.373	43%	0.426	S	S	.	.			trans	-103.4	151	174	70.3	0	0	0	0	112.2	V1054 H1058 E1059 I1060	V1054-T1056 HydrophobicContact CG1-CG2 4.32Å; T1056-H1058 PolarHBondContact O-N 3.02Å; T1056-E1059 PolarHBondContact N-OE2 2.98Å; T1056-E1059 VanDerWaalsContact N-OE2 3.14Å; T1056-E1059 WeakPolarHBondContact O-CB 3.37Å; T1056-E1059 PolarHBondContact O-N 3.06Å; T1056-E1059 VanDerWaalsContact O-N 3.15Å; T1056-E1059 VanDerWaalsContact OG1-CB 3.27Å; T1056-E1059 WeakPolarHBondContact OG1-CB 3.34Å; T1056-E1059 PolarHBondContact OG1-N 3.15Å; T1056-I1060 PolarHBondContact O-N 3.06Å; T1056-I1060 VanDerWaalsContact O-N 3.1Å
1057	I	94	Very high	75.2	Confident	55 Å²	55	74.5 Å²	74.5	28%	0.282	40%	0.403	S	S	.	.	H	α-helix	trans	-57.7	-35.8	172.6	-64.9	170.2	0	0	0	110.6	I1060 S1061 P1068 V1071 A1072 I1075 V1726	I1057-I1060 PolarHBondContact O-N 2.94Å; I1057-S1061 VanDerWaalsContact O-CB 3.26Å; I1057-S1061 WeakPolarHBondContact O-CB 3.32Å; I1057-S1061 PolarHBondContact O-N 3.29Å; I1057-P1068 HydrophobicContact CG2-CB 3.98Å; I1057-P1068 VanDerWaalsContact CG2-O 3.28Å; I1057-P1068 WeakPolarHBondContact CG2-O 3.21Å; I1057-V1071 HydrophobicContact CG2-CB 4.16Å; I1057-V1071 HydrophobicContact CG2-CG1 3.96Å; I1057-A1072 HydrophobicContact CD1-CB 4.17Å; I1057-I1075 HydrophobicContact CG1-CD1 4.26Å; I1057-V1726 HydrophobicContact CD1-CG1 4.13Å; I1057-V1726 HydrophobicContact CD1-CG2 3.97Å
1058	H	94.2	Very high	78.2	Confident	130.8 Å²	130.8	70.3 Å²	70.3	61%	0.606	37%	0.373	S	S	*	.	H	α-helix	trans	-67.8	-36.6	177.8	-107	87.2	0	0	0	113.1	T1056 S1061 S1062	T1056-H1058 PolarHBondContact O-N 3.02Å; H1058-S1061 PolarHBondContact O-N 3.25Å; H1058-S1062 VanDerWaalsContact O-CB 3.28Å; H1058-S1062 WeakPolarHBondContact O-CB 3.3Å; H1058-S1062 PolarHBondContact O-N 3.25Å; H1058-S1062 PolarHBondContact O-OG 3.2Å
1059	E	93	Very high	81.1	Confident	81.2 Å²	81.2	69 Å²	69	38%	0.379	36%	0.363	S	S	.	.	H	α-helix	trans	-66.3	-46.6	174.8	178.5	179	-158.2	0	0	111.6	I1055 T1056 S1061 S1062 T1063	I1055-E1059 WeakPolarHBondContact CA-OE2 3.31Å; T1056-E1059 PolarHBondContact N-OE2 2.98Å; T1056-E1059 VanDerWaalsContact N-OE2 3.14Å; T1056-E1059 WeakPolarHBondContact O-CB 3.37Å; T1056-E1059 PolarHBondContact O-N 3.06Å; T1056-E1059 VanDerWaalsContact O-N 3.15Å; T1056-E1059 VanDerWaalsContact OG1-CB 3.27Å; T1056-E1059 WeakPolarHBondContact OG1-CB 3.34Å; T1056-E1059 PolarHBondContact OG1-N 3.15Å; E1059-S1061 VanDerWaalsContact C-N 3.32Å; E1059-S1061 PolarHBondContact O-N 3.04Å; E1059-S1062 PolarHBondContact O-N 3.31Å; E1059-S1062 VanDerWaalsContact O-N 3.11Å; E1059-S1062 PolarHBondContact O-OG 2.9Å; E1059-T1063 VanDerWaalsContact O-CB 3.29Å; E1059-T1063 WeakPolarHBondContact O-CB 3.35Å; E1059-T1063 PolarHBondContact O-N 3.02Å; E1059-T1063 PolarHBondContact O-OG1 3.03Å; E1059-T1063 VanDerWaalsContact O-OG1 3.13Å
1060	I	95.4	Very high	84.3	Confident	2.2 Å²	2.2	66.5 Å²	66.5	1%	0.011	33%	0.334	C	S	.	.	H	α-helix	trans	-60.3	-46.7	174	-59.5	170.6	0	0	0	110	V1013 F1016 I1055 T1056 I1057 S1062 T1063 T1064 V1071 I1075	V1013-I1060 HydrophobicContact CG2-CG2 4.11Å; F1016-I1060 HydrophobicContact CB-CD1 4.2Å; F1016-I1060 HydrophobicContact CB-CG1 4.09Å; F1016-I1060 HydrophobicContact CD1-CG1 4.08Å; F1016-I1060 HydrophobicContact CD2-CG1 4.43Å; F1016-I1060 HydrophobicContact CD2-CG2 4.22Å; F1016-I1060 HydrophobicContact CE2-CG2 4.37Å; F1016-I1060 HydrophobicContact CG-CD1 4.48Å; F1016-I1060 HydrophobicContact CG-CG1 3.96Å; I1055-I1060 HydrophobicContact CG2-CD1 3.73Å; I1055-I1060 HydrophobicContact CG2-CG1 3.67Å; T1056-I1060 PolarHBondContact O-N 3.06Å; T1056-I1060 VanDerWaalsContact O-N 3.1Å; I1057-I1060 PolarHBondContact O-N 2.94Å; I1060-S1062 PolarHBondContact O-N 3.32Å; I1060-T1063 PolarHBondContact O-N 3.27Å; I1060-T1064 HydrophobicContact CG2-CG2 4.22Å; I1060-T1064 VanDerWaalsContact O-CB 3.31Å; I1060-T1064 WeakPolarHBondContact O-CB 3.39Å; I1060-T1064 VanDerWaalsContact O-CG2 3.31Å; I1060-T1064 WeakPolarHBondContact O-CG2 3.4Å; I1060-T1064 PolarHBondContact O-N 3.17Å; I1060-T1064 PolarHBondContact O-OG1 3.08Å; I1060-V1071 HydrophobicContact CB-CG1 4.02Å; I1060-V1071 HydrophobicContact CD1-CG1 4.24Å; I1060-V1071 HydrophobicContact CG2-CG1 3.76Å; I1060-V1071 HydrophobicContact CG2-CG2 4.09Å; I1060-I1075 HydrophobicContact CD1-CD1 4.08Å
1061	S	96.6	Very high	87.1	Confident	1.4 Å²	1.4	60.4 Å²	60.4	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-58.9	-49.2	178.6	178.2	0	0	0	0	112.1	P990 I1057 H1058 E1059 T1063 T1064 G1065 I1066 P1068	P990-S1061 WeakPolarHBondContact CB-OG 3.37Å; P990-S1061 WeakPolarHBondContact CG-OG 3.32Å; I1057-S1061 VanDerWaalsContact O-CB 3.26Å; I1057-S1061 WeakPolarHBondContact O-CB 3.32Å; I1057-S1061 PolarHBondContact O-N 3.29Å; H1058-S1061 PolarHBondContact O-N 3.25Å; E1059-S1061 VanDerWaalsContact C-N 3.32Å; E1059-S1061 PolarHBondContact O-N 3.04Å; S1061-T1063 VanDerWaalsContact C-N 3.32Å; S1061-T1063 PolarHBondContact O-N 3.13Å; S1061-T1064 PolarHBondContact O-N 3Å; S1061-T1064 PolarHBondContact O-OG1 3.2Å; S1061-G1065 WeakPolarHBondContact O-CA 3.37Å; S1061-G1065 PolarHBondContact O-N 2.93Å; S1061-I1066 VanDerWaalsContact CA-O 3.3Å; S1061-I1066 WeakPolarHBondContact CA-O 3.32Å; S1061-I1066 VanDerWaalsContact CB-O 3.25Å; S1061-I1066 WeakPolarHBondContact CB-O 3.31Å; S1061-I1066 PolarHBondContact OG-O 2.97Å; S1061-P1068 WeakPolarHBondContact OG-CD 3.33Å; S1061-P1068 WeakPolarHBondContact OG-CG 3.43Å
1062	S	94.1	Very high	89.7	Confident	79.2 Å²	79.2	51.3 Å²	51.3	55%	0.554	28%	0.279	S	S	*	.	H	α-helix	trans	-65.1	-37.5	179.3	-44.4	0	0	0	0	112.8	H1058 E1059 I1060	H1058-S1062 VanDerWaalsContact O-CB 3.28Å; H1058-S1062 WeakPolarHBondContact O-CB 3.3Å; H1058-S1062 PolarHBondContact O-N 3.25Å; H1058-S1062 PolarHBondContact O-OG 3.2Å; E1059-S1062 PolarHBondContact O-N 3.31Å; E1059-S1062 VanDerWaalsContact O-N 3.11Å; E1059-S1062 PolarHBondContact O-OG 2.9Å; I1060-S1062 PolarHBondContact O-N 3.32Å
1063	T	94.4	Very high	91.9	Very high	78 Å²	78	48 Å²	48	48%	0.479	27%	0.265	S	S	.	.	H	α-helix	trans	-76	-32.8	-179.9	-52	0	0	0	0	112.5	R985 F1016 E1059 I1060 S1061	R985-T1063 VanDerWaalsContact CD-O 3.25Å; R985-T1063 WeakPolarHBondContact CD-O 3.4Å; F1016-T1063 HydrophobicContact CE1-CG2 4.11Å; F1016-T1063 HydrophobicContact CZ-CG2 3.74Å; E1059-T1063 VanDerWaalsContact O-CB 3.29Å; E1059-T1063 WeakPolarHBondContact O-CB 3.35Å; E1059-T1063 PolarHBondContact O-N 3.02Å; E1059-T1063 PolarHBondContact O-OG1 3.03Å; E1059-T1063 VanDerWaalsContact O-OG1 3.13Å; I1060-T1063 PolarHBondContact O-N 3.27Å; S1061-T1063 VanDerWaalsContact C-N 3.32Å; S1061-T1063 PolarHBondContact O-N 3.13Å
1064	T	96.1	Very high	93.7	Very high	8.4 Å²	8.4	43.6 Å²	43.6	5%	0.052	25%	0.246	C	C	.	.	H	α-helix	trans	-97.5	-23.9	-175.6	60.1	0	0	0	0	114.4	R985 K1012 F1016 I1060 S1061 I1066	R985-T1064 WeakPolarHBondContact CG-O 3.39Å; R985-T1064 PolarHBondContact NH1-O 3.06Å; K1012-T1064 HydrophobicContact CB-CG2 4.45Å; F1016-T1064 HydrophobicContact CE2-CG2 3.73Å; F1016-T1064 HydrophobicContact CZ-CG2 4.08Å; I1060-T1064 HydrophobicContact CG2-CG2 4.22Å; I1060-T1064 VanDerWaalsContact O-CB 3.31Å; I1060-T1064 WeakPolarHBondContact O-CB 3.39Å; I1060-T1064 VanDerWaalsContact O-CG2 3.31Å; I1060-T1064 WeakPolarHBondContact O-CG2 3.4Å; I1060-T1064 PolarHBondContact O-N 3.17Å; I1060-T1064 PolarHBondContact O-OG1 3.08Å; S1061-T1064 PolarHBondContact O-N 3Å; S1061-T1064 PolarHBondContact O-OG1 3.2Å; T1064-I1066 HydrophobicContact CG2-CD1 4.22Å; T1064-I1066 PolarHBondContact O-N 3.22Å; T1064-I1066 WeakPolarHBondContact OG1-CB 3.42Å; T1064-I1066 WeakPolarHBondContact OG1-CD1 3.34Å; T1064-I1066 WeakPolarHBondContact OG1-CG1 3.41Å; T1064-I1066 PolarHBondContact OG1-N 3.03Å
1065	G	95.9	Very high	94.7	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.021	22%	0.22	C	C	.	.			trans	79.8	4	-168.9	0	0	0	0	0	114.3	F981 P990 G991 S1061	F981-G1065 VanDerWaalsContact CD1-O 3.27Å; F981-G1065 WeakPolarHBondContact CD1-O 3.36Å; F981-G1065 WeakPolarHBondContact CE1-O 3.42Å; P990-G1065 VanDerWaalsContact CA-O 3.3Å; P990-G1065 WeakPolarHBondContact CA-O 3.3Å; G991-G1065 PolarHBondContact N-O 3.28Å; G991-G1065 VanDerWaalsContact N-O 3.07Å; S1061-G1065 WeakPolarHBondContact O-CA 3.37Å; S1061-G1065 PolarHBondContact O-N 2.93Å
1066	I	97.5	Very high	95.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-81.5	136.8	180	-55.8	163.2	0	0	0	109.5	F981 Y1008 W1009 K1012 V1013 S1061 T1064 D1070 V1071	F981-I1066 HydrophobicContact CD1-CG1 4.15Å; F981-I1066 HydrophobicContact CE1-CB 4.29Å; F981-I1066 HydrophobicContact CE1-CG1 3.96Å; F981-I1066 HydrophobicContact CE2-CG1 4.5Å; F981-I1066 HydrophobicContact CZ-CG1 4.19Å; Y1008-I1066 HydrophobicContact CE1-CD1 4.33Å; Y1008-I1066 HydrophobicContact CE1-CG1 4.43Å; W1009-I1066 HydrophobicContact CG-CD1 4.41Å; W1009-I1066 HydrophobicContact CG-CG2 4.42Å; K1012-I1066 HydrophobicContact CB-CD1 4.2Å; V1013-I1066 HydrophobicContact CG2-CD1 4.48Å; S1061-I1066 VanDerWaalsContact CA-O 3.3Å; S1061-I1066 WeakPolarHBondContact CA-O 3.32Å; S1061-I1066 VanDerWaalsContact CB-O 3.25Å; S1061-I1066 WeakPolarHBondContact CB-O 3.31Å; S1061-I1066 PolarHBondContact OG-O 2.97Å; T1064-I1066 HydrophobicContact CG2-CD1 4.22Å; T1064-I1066 PolarHBondContact O-N 3.22Å; T1064-I1066 WeakPolarHBondContact OG1-CB 3.42Å; T1064-I1066 WeakPolarHBondContact OG1-CD1 3.34Å; T1064-I1066 WeakPolarHBondContact OG1-CG1 3.41Å; T1064-I1066 PolarHBondContact OG1-N 3.03Å; I1066-D1070 HydrophobicContact CG2-CB 3.85Å; I1066-V1071 HydrophobicContact CB-CG2 3.79Å; I1066-V1071 HydrophobicContact CG2-CG2 3.72Å
1067	D	96.4	Very high	95.3	Very high	35.4 Å²	35.4	43.6 Å²	43.6	19%	0.189	24%	0.235	C	C	.	.			trans	-54.1	138.8	174.7	-177.8	-88.4	0	0	0	112.8	G991 H1069 D1070 V1071	G991-D1067 WeakPolarHBondContact O-CB 3.41Å; G991-D1067 PolarHBondContact O-N 2.84Å; G991-D1067 VanDerWaalsContact O-N 3.14Å; D1067-H1069 PolarHBondContact O-N 3.16Å; D1067-H1069 VanDerWaalsContact O-N 3.13Å; D1067-H1069 WeakPolarHBondContact OD1-CA 3.21Å; D1067-H1069 VanDerWaalsContact OD1-CB 3.27Å; D1067-H1069 WeakPolarHBondContact OD1-CB 3.45Å; D1067-H1069 IonicContact OD1-CD2 3.55Å; D1067-H1069 PolarHBondContact OD1-CD2 3.25Å; D1067-H1069 VanDerWaalsContact OD1-CD2 3.26Å; D1067-H1069 IonicContact OD1-CE1 3.38Å; D1067-H1069 IonicContact OD1-CG 3.04Å; D1067-H1069 PolarHBondContact OD1-N 3.25Å; D1067-H1069 IonicContact OD1-ND1 3.01Å; D1067-H1069 PolarHBondContact OD1-ND1 3.08Å; D1067-H1069 IonicContact OD2-ND1 3.02Å; D1067-D1070 HydrophobicContact CB-CB 4.48Å; D1067-D1070 PolarHBondContact O-N 2.97Å; D1067-D1070 VanDerWaalsContact O-N 3.09Å; D1067-V1071 WeakPolarHBondContact O-CG2 3.4Å; D1067-V1071 PolarHBondContact O-N 3.1Å
1068	P	96.3	Very high	95.2	Very high	35.4 Å²	35.4	41.2 Å²	41.2	23%	0.23	22%	0.222	C	C	.	.	H	α-helix	trans	-53.3	-32.5	-179.9	-29	36.5	0	0	0	115.3	I1057 S1061 A1072	I1057-P1068 HydrophobicContact CG2-CB 3.98Å; I1057-P1068 VanDerWaalsContact CG2-O 3.28Å; I1057-P1068 WeakPolarHBondContact CG2-O 3.21Å; S1061-P1068 WeakPolarHBondContact OG-CD 3.33Å; S1061-P1068 WeakPolarHBondContact OG-CG 3.43Å; P1068-A1072 VanDerWaalsContact O-CB 3.31Å; P1068-A1072 WeakPolarHBondContact O-CB 3.39Å; P1068-A1072 PolarHBondContact O-N 3.01Å
1069	H	95.5	Very high	95.1	Very high	134.6 Å²	134.6	36.1 Å²	36.1	62%	0.623	20%	0.202	S	C	*	.	H	α-helix	trans	-75.2	-38.6	178.4	-56.3	-49.8	0	0	0	111.9	D1067 V1071 A1072 S1073	D1067-H1069 PolarHBondContact O-N 3.16Å; D1067-H1069 VanDerWaalsContact O-N 3.13Å; D1067-H1069 WeakPolarHBondContact OD1-CA 3.21Å; D1067-H1069 VanDerWaalsContact OD1-CB 3.27Å; D1067-H1069 WeakPolarHBondContact OD1-CB 3.45Å; D1067-H1069 IonicContact OD1-CD2 3.55Å; D1067-H1069 PolarHBondContact OD1-CD2 3.25Å; D1067-H1069 VanDerWaalsContact OD1-CD2 3.26Å; D1067-H1069 IonicContact OD1-CE1 3.38Å; D1067-H1069 IonicContact OD1-CG 3.04Å; D1067-H1069 PolarHBondContact OD1-N 3.25Å; D1067-H1069 IonicContact OD1-ND1 3.01Å; D1067-H1069 PolarHBondContact OD1-ND1 3.08Å; D1067-H1069 IonicContact OD2-ND1 3.02Å; H1069-V1071 VanDerWaalsContact C-N 3.34Å; H1069-A1072 PolarHBondContact O-N 3.05Å; H1069-S1073 VanDerWaalsContact O-CB 3.28Å; H1069-S1073 WeakPolarHBondContact O-CB 3.31Å; H1069-S1073 PolarHBondContact O-N 3.07Å; H1069-S1073 PolarHBondContact O-OG 3.26Å
1070	D	96.8	Very high	94.9	Very high	11 Å²	11	35.8 Å²	35.8	6%	0.059	21%	0.207	C	C	.	.	H	α-helix	trans	-69.9	-34.5	175	-69.6	-22.4	0	0	0	110.4	S992 K995 W1009 I1066 D1067 S1073 T1074	S992-D1070 VanDerWaalsContact CB-OD2 3.26Å; S992-D1070 WeakPolarHBondContact CB-OD2 3.39Å; S992-D1070 PolarHBondContact OG-OD2 3.09Å; K995-D1070 IonicContact NZ-OD1 3.73Å; K995-D1070 PolarHBondContact NZ-OD1 3.11Å; K995-D1070 VanDerWaalsContact NZ-OD1 3.08Å; K995-D1070 IonicContact NZ-OD2 3.05Å; W1009-D1070 HydrophobicContact CD2-CB 4.42Å; W1009-D1070 HydrophobicContact CE3-CB 4.4Å; W1009-D1070 HydrophobicContact CH2-CB 3.92Å; W1009-D1070 VanDerWaalsContact CH2-CG 3.42Å; W1009-D1070 WeakPolarHBondContact CH2-OD2 3.31Å; W1009-D1070 HydrophobicContact CZ2-CB 3.82Å; W1009-D1070 VanDerWaalsContact CZ2-OD2 3.26Å; W1009-D1070 WeakPolarHBondContact CZ2-OD2 3.34Å; W1009-D1070 HydrophobicContact CZ3-CB 4.27Å; I1066-D1070 HydrophobicContact CG2-CB 3.85Å; D1067-D1070 HydrophobicContact CB-CB 4.48Å; D1067-D1070 PolarHBondContact O-N 2.97Å; D1067-D1070 VanDerWaalsContact O-N 3.09Å; D1070-S1073 PolarHBondContact O-OG 2.8Å; D1070-T1074 VanDerWaalsContact O-CB 3.28Å; D1070-T1074 WeakPolarHBondContact O-CB 3.41Å; D1070-T1074 PolarHBondContact O-N 3.16Å; D1070-T1074 PolarHBondContact O-OG1 2.99Å
1071	V	97.2	Very high	94.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-51.9	167.9	174.1	0	0	0	0	110.9	V1013 I1057 I1060 I1066 D1067 H1069 S1073 T1074 I1075	V1013-V1071 HydrophobicContact CG2-CG1 4.5Å; I1057-V1071 HydrophobicContact CG2-CB 4.16Å; I1057-V1071 HydrophobicContact CG2-CG1 3.96Å; I1060-V1071 HydrophobicContact CB-CG1 4.02Å; I1060-V1071 HydrophobicContact CD1-CG1 4.24Å; I1060-V1071 HydrophobicContact CG2-CG1 3.76Å; I1060-V1071 HydrophobicContact CG2-CG2 4.09Å; I1066-V1071 HydrophobicContact CB-CG2 3.79Å; I1066-V1071 HydrophobicContact CG2-CG2 3.72Å; D1067-V1071 WeakPolarHBondContact O-CG2 3.4Å; D1067-V1071 PolarHBondContact O-N 3.1Å; H1069-V1071 VanDerWaalsContact C-N 3.34Å; V1071-S1073 VanDerWaalsContact C-N 3.34Å; V1071-S1073 PolarHBondContact O-N 3.19Å; V1071-T1074 WeakPolarHBondContact O-CA 3.4Å; V1071-T1074 WeakPolarHBondContact O-CB 3.4Å; V1071-T1074 PolarHBondContact O-N 3.15Å; V1071-T1074 VanDerWaalsContact O-N 3.1Å; V1071-I1075 HydrophobicContact CG1-CD1 3.86Å; V1071-I1075 HydrophobicContact CG1-CG1 4.42Å; V1071-I1075 WeakPolarHBondContact O-CG1 3.4Å; V1071-I1075 PolarHBondContact O-N 3.07Å
1072	A	95.6	Very high	94	Very high	30 Å²	30	43.1 Å²	43.1	25%	0.248	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-43.8	180	0	0	0	0	0	112.2	I1057 P1068 H1069 T1074 I1075 Q1076	I1057-A1072 HydrophobicContact CD1-CB 4.17Å; P1068-A1072 VanDerWaalsContact O-CB 3.31Å; P1068-A1072 WeakPolarHBondContact O-CB 3.39Å; P1068-A1072 PolarHBondContact O-N 3.01Å; H1069-A1072 PolarHBondContact O-N 3.05Å; A1072-T1074 VanDerWaalsContact C-N 3.33Å; A1072-T1074 PolarHBondContact O-N 3.14Å; A1072-I1075 PolarHBondContact O-N 3.07Å; A1072-Q1076 WeakPolarHBondContact O-CB 3.34Å; A1072-Q1076 PolarHBondContact O-N 3.19Å
1073	S	95.2	Very high	93.6	Very high	42.6 Å²	42.6	42.4 Å²	42.4	30%	0.298	24%	0.239	S	C	.	.	H	α-helix	trans	-62.6	-38.3	174.4	170.6	0	0	0	0	112.1	H1069 D1070 V1071 Q1076 Q1077	H1069-S1073 VanDerWaalsContact O-CB 3.28Å; H1069-S1073 WeakPolarHBondContact O-CB 3.31Å; H1069-S1073 PolarHBondContact O-N 3.07Å; H1069-S1073 PolarHBondContact O-OG 3.26Å; D1070-S1073 PolarHBondContact O-OG 2.8Å; V1071-S1073 VanDerWaalsContact C-N 3.34Å; V1071-S1073 PolarHBondContact O-N 3.19Å; S1073-Q1076 WeakPolarHBondContact O-CB 3.47Å; S1073-Q1076 PolarHBondContact O-N 2.98Å; S1073-Q1077 WeakPolarHBondContact O-CB 3.21Å; S1073-Q1077 VanDerWaalsContact O-CG 3.26Å; S1073-Q1077 WeakPolarHBondContact O-CG 3.35Å; S1073-Q1077 PolarHBondContact O-N 3Å; S1073-Q1077 PolarHBondContact O-NE2 3.19Å; S1073-Q1077 VanDerWaalsContact O-NE2 3.11Å; S1073-Q1077 PolarHBondContact OG-NE2 3.14Å; S1073-Q1077 VanDerWaalsContact OG-NE2 3.14Å
1074	T	96.6	Very high	93.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.9	-41	176.5	-60.6	0	0	0	0	111.6	W1009 R1010 V1013 D1070 V1071 A1072 Q1076 Q1077 L1078	W1009-T1074 HydrophobicContact CB-CG2 3.96Å; W1009-T1074 VanDerWaalsContact CB-OG1 3.24Å; W1009-T1074 WeakPolarHBondContact CB-OG1 3.31Å; R1010-T1074 HydrophobicContact CB-CG2 4.43Å; R1010-T1074 HydrophobicContact CG-CG2 3.94Å; V1013-T1074 HydrophobicContact CB-CG2 3.91Å; V1013-T1074 HydrophobicContact CG1-CG2 4.26Å; V1013-T1074 HydrophobicContact CG2-CG2 3.88Å; D1070-T1074 VanDerWaalsContact O-CB 3.28Å; D1070-T1074 WeakPolarHBondContact O-CB 3.41Å; D1070-T1074 PolarHBondContact O-N 3.16Å; D1070-T1074 PolarHBondContact O-OG1 2.99Å; V1071-T1074 WeakPolarHBondContact O-CA 3.4Å; V1071-T1074 WeakPolarHBondContact O-CB 3.4Å; V1071-T1074 PolarHBondContact O-N 3.15Å; V1071-T1074 VanDerWaalsContact O-N 3.1Å; A1072-T1074 VanDerWaalsContact C-N 3.33Å; A1072-T1074 PolarHBondContact O-N 3.14Å; T1074-Q1076 VanDerWaalsContact C-N 3.35Å; T1074-Q1077 PolarHBondContact O-N 3.08Å; T1074-L1078 HydrophobicContact CG2-CD1 4.27Å; T1074-L1078 WeakPolarHBondContact O-CG 3.37Å; T1074-L1078 PolarHBondContact O-N 3.08Å; T1074-L1078 VanDerWaalsContact O-N 3.11Å
1075	I	94.8	Very high	92.5	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.051	26%	0.26	C	S	.	.	H	α-helix	trans	-62.9	-44	173.9	-65.7	170.8	0	0	0	110.2	V1013 L1017 I1057 I1060 V1071 A1072 Q1077 L1078 A1079 I1092 F1094 L1724	V1013-I1075 HydrophobicContact CG1-CG1 3.77Å; L1017-I1075 HydrophobicContact CD2-CG1 4.47Å; I1057-I1075 HydrophobicContact CG1-CD1 4.26Å; I1060-I1075 HydrophobicContact CD1-CD1 4.08Å; V1071-I1075 HydrophobicContact CG1-CD1 3.86Å; V1071-I1075 HydrophobicContact CG1-CG1 4.42Å; V1071-I1075 WeakPolarHBondContact O-CG1 3.4Å; V1071-I1075 PolarHBondContact O-N 3.07Å; A1072-I1075 PolarHBondContact O-N 3.07Å; I1075-Q1077 VanDerWaalsContact C-N 3.3Å; I1075-Q1077 PolarHBondContact O-N 3.22Å; I1075-L1078 PolarHBondContact O-N 3.11Å; I1075-L1078 VanDerWaalsContact O-N 3.13Å; I1075-A1079 PolarHBondContact O-N 2.98Å; I1075-I1092 HydrophobicContact CG2-CD1 4.09Å; I1075-I1092 HydrophobicContact CG2-CG2 4.4Å; I1075-F1094 HydrophobicContact CG2-CE1 4.16Å; I1075-F1094 HydrophobicContact CG2-CZ 3.78Å; I1075-L1724 HydrophobicContact CG2-CD1 4.06Å
1076	Q	93	Very high	91.9	Very high	114.2 Å²	114.2	53.2 Å²	53.2	53%	0.534	30%	0.301	S	S	.	.	H	α-helix	trans	-60.8	-35.6	175.4	-175.5	178.2	7	0	0	112.8	A1072 S1073 T1074 L1078 A1079 I1082	A1072-Q1076 WeakPolarHBondContact O-CB 3.34Å; A1072-Q1076 PolarHBondContact O-N 3.19Å; S1073-Q1076 WeakPolarHBondContact O-CB 3.47Å; S1073-Q1076 PolarHBondContact O-N 2.98Å; T1074-Q1076 VanDerWaalsContact C-N 3.35Å; Q1076-L1078 VanDerWaalsContact C-N 3.32Å; Q1076-L1078 PolarHBondContact O-N 3.34Å; Q1076-A1079 WeakPolarHBondContact O-CB 3.26Å; Q1076-A1079 PolarHBondContact O-N 3.32Å; Q1076-I1082 HydrophobicContact CG-CD1 4.05Å
1077	Q	92.3	Very high	91.3	Very high	65.2 Å²	65.2	58.2 Å²	58.2	31%	0.305	33%	0.329	S	S	.	.	H	α-helix	trans	-75.5	-18.2	175.7	-70.4	166.3	44.4	0	0	114	F706 S1073 T1074 I1075	F706-Q1077 HydrophobicContact CZ-CB 4.28Å; F706-Q1077 HydrophobicContact CZ-CG 4.31Å; S1073-Q1077 WeakPolarHBondContact O-CB 3.21Å; S1073-Q1077 VanDerWaalsContact O-CG 3.26Å; S1073-Q1077 WeakPolarHBondContact O-CG 3.35Å; S1073-Q1077 PolarHBondContact O-N 3Å; S1073-Q1077 PolarHBondContact O-NE2 3.19Å; S1073-Q1077 VanDerWaalsContact O-NE2 3.11Å; S1073-Q1077 PolarHBondContact OG-NE2 3.14Å; S1073-Q1077 VanDerWaalsContact OG-NE2 3.14Å; T1074-Q1077 PolarHBondContact O-N 3.08Å; I1075-Q1077 VanDerWaalsContact C-N 3.3Å; I1075-Q1077 PolarHBondContact O-N 3.22Å
1078	L	93.2	Very high	90.7	Very high	3.8 Å²	3.8	58.9 Å²	58.9	2%	0.02	34%	0.344	C	S	.	.	H	α-helix	trans	-94.9	-14.7	175.3	-69.6	173.2	0	0	0	112.5	R1010 V1013 L1014 L1017 T1074 I1075 Q1076 F1094 L1099 L1102	R1010-L1078 HydrophobicContact CB-CD2 4.4Å; R1010-L1078 HydrophobicContact CG-CD1 4.47Å; R1010-L1078 HydrophobicContact CG-CD2 4.07Å; R1010-L1078 HydrophobicContact CG-CG 4.29Å; V1013-L1078 HydrophobicContact CG1-CD1 4.46Å; L1014-L1078 HydrophobicContact CB-CD1 4.43Å; L1014-L1078 HydrophobicContact CD1-CD1 4.47Å; L1017-L1078 HydrophobicContact CD1-CB 4.41Å; L1017-L1078 HydrophobicContact CD1-CD1 3.9Å; T1074-L1078 HydrophobicContact CG2-CD1 4.27Å; T1074-L1078 WeakPolarHBondContact O-CG 3.37Å; T1074-L1078 PolarHBondContact O-N 3.08Å; T1074-L1078 VanDerWaalsContact O-N 3.11Å; I1075-L1078 PolarHBondContact O-N 3.11Å; I1075-L1078 VanDerWaalsContact O-N 3.13Å; Q1076-L1078 VanDerWaalsContact C-N 3.32Å; Q1076-L1078 PolarHBondContact O-N 3.34Å; L1078-F1094 HydrophobicContact CB-CE1 4.44Å; L1078-F1094 WeakPolarHBondContact O-CD1 3.34Å; L1078-L1099 HydrophobicContact CB-CD2 4.22Å; L1078-L1099 HydrophobicContact CD2-CD2 4.33Å; L1078-L1102 HydrophobicContact CD2-CD1 3.83Å; L1078-L1102 HydrophobicContact CD2-CD2 3.36Å
1079	A	90.6	Very high	90.2	Very high	22.6 Å²	22.6	64.9 Å²	64.9	19%	0.187	36%	0.362	C	S	.	.			trans	-66.8	139.5	176.5	0	0	0	0	0	111.9	I1075 Q1076 I1082 I1092 F1094	I1075-A1079 PolarHBondContact O-N 2.98Å; Q1076-A1079 WeakPolarHBondContact O-CB 3.26Å; Q1076-A1079 PolarHBondContact O-N 3.32Å; A1079-I1082 HydrophobicContact CB-CG1 4.32Å; A1079-I1092 HydrophobicContact CB-CG2 3.4Å; A1079-I1092 VanDerWaalsContact CB-CG2 3.45Å; A1079-F1094 HydrophobicContact CB-CD1 4.47Å; A1079-F1094 HydrophobicContact CB-CE1 4.19Å
1080	T	88.8	Confident	89.6	Confident	76.8 Å²	76.8	62.1 Å²	62.1	47%	0.471	36%	0.356	S	S	.	.	S	Bend	trans	-86.8	-38.2	174.4	-36.9	0	0	0	0	111.3	C1093 D1095	T1080-C1093 PolarHBondContact N-O 3.12Å; T1080-C1093 PolarHBondContact OG1-O 3.04Å; T1080-D1095 HydrophobicContact CG2-CB 4.28Å; T1080-D1095 PolarHBondContact OG1-N 3.16Å
1081	T	87.3	Confident	89	Confident	72.6 Å²	72.6	63.6 Å²	63.6	45%	0.445	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	157.2	170	52.7	0	0	0	0	110.5	C1093	T1081-C1093 PolarHBondContact N-O 3.06Å; T1081-C1093 WeakPolarHBondContact O-CB 3.46Å; T1081-C1093 PolarHBondContact O-N 3.04Å; T1081-C1093 WeakPolarHBondContact OG1-CB 3.35Å
1082	I	86.8	Confident	88.6	Confident	83.4 Å²	83.4	66.1 Å²	66.1	43%	0.428	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.6	167.1	-58.6	175.9	0	0	0	106.5	Q1076 A1079 P1090 V1091 I1092	Q1076-I1082 HydrophobicContact CG-CD1 4.05Å; A1079-I1082 HydrophobicContact CB-CG1 4.32Å; I1082-P1090 HydrophobicContact CG2-CB 4.26Å; I1082-V1091 WeakPolarHBondContact CA-O 3.3Å; I1082-I1092 HydrophobicContact CG1-CG1 4.47Å; I1082-I1092 HydrophobicContact CG1-CG2 4.4Å
1083	T	86.2	Confident	88.2	Confident	63.4 Å²	63.4	66 Å²	66	39%	0.389	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	159.8	-177.5	54.9	0	0	0	0	110	P1090 V1091 C1093	T1083-P1090 CarbonylContact O-C 3.54Å; T1083-P1090 VanDerWaalsContact O-CA 3.27Å; T1083-P1090 WeakPolarHBondContact O-CA 3.39Å; T1083-V1091 PolarHBondContact N-O 3.05Å; T1083-V1091 WeakPolarHBondContact O-CA 3.27Å; T1083-V1091 WeakPolarHBondContact O-CB 3.3Å; T1083-V1091 PolarHBondContact O-N 3.11Å; T1083-V1091 PolarHBondContact OG1-O 3.12Å; T1083-C1093 PolarHBondContact OG1-SG 3.41Å
1084	L	85.1	Confident	88	Confident	130.8 Å²	130.8	66 Å²	66	69%	0.685	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	134	168.6	-61.6	175.4	0	0	0	109.1	R1089 P1090	L1084-R1089 CarbonylContact C-O 3.52Å; L1084-R1089 WeakPolarHBondContact CA-O 3.39Å; L1084-P1090 HydrophobicContact CD2-CB 4.4Å
1085	S	81.7	Confident	87.6	Confident	39.8 Å²	39.8	69.3 Å²	69.3	28%	0.278	39%	0.388	S	S	.	.			trans	-67.3	167.9	168.6	149	0	0	0	0	111.1	D1087 G1088 R1089	S1085-D1087 WeakPolarHBondContact CB-OD1 3.4Å; S1085-D1087 PolarHBondContact O-N 3.09Å; S1085-D1087 VanDerWaalsContact O-N 3.1Å; S1085-D1087 PolarHBondContact OG-N 3.45Å; S1085-D1087 VanDerWaalsContact OG-N 3.11Å; S1085-D1087 PolarHBondContact OG-OD1 2.98Å; S1085-G1088 PolarHBondContact O-N 3.02Å; S1085-G1088 PolarHBondContact OG-N 2.86Å; S1085-R1089 WeakPolarHBondContact CB-O 3.46Å; S1085-R1089 PolarHBondContact N-O 3.14Å; S1085-R1089 PolarHBondContact OG-N 2.73Å; S1085-R1089 PolarHBondContact OG-O 3Å
1086	T	82.7	Confident	87.3	Confident	144.6 Å²	144.6	70.8 Å²	70.8	89%	0.887	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-30.5	167.4	45.2	0	0	0	0	112.9	G1088	T1086-G1088 VanDerWaalsContact C-N 3.28Å; T1086-G1088 PolarHBondContact O-N 3.16Å
1087	D	85.8	Confident	87.2	Confident	107 Å²	107	71.9 Å²	71.9	57%	0.572	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	9.3	-176.6	-26.7	-15	0	0	0	112.8	S1085 R1089	S1085-D1087 WeakPolarHBondContact CB-OD1 3.4Å; S1085-D1087 PolarHBondContact O-N 3.09Å; S1085-D1087 VanDerWaalsContact O-N 3.1Å; S1085-D1087 PolarHBondContact OG-N 3.45Å; S1085-D1087 VanDerWaalsContact OG-N 3.11Å; S1085-D1087 PolarHBondContact OG-OD1 2.98Å; D1087-R1089 VanDerWaalsContact C-N 3.28Å; D1087-R1089 HydrophobicContact CB-CG 4.33Å; D1087-R1089 PolarHBondContact O-N 3.06Å; D1087-R1089 VanDerWaalsContact O-N 3.16Å; D1087-R1089 WeakPolarHBondContact OD1-CB 3.49Å; D1087-R1089 PolarHBondContact OD1-N 2.95Å; D1087-R1089 VanDerWaalsContact OD2-CD 3.23Å; D1087-R1089 WeakPolarHBondContact OD2-CD 3.41Å; D1087-R1089 IonicContact OD2-CZ 3.72Å; D1087-R1089 IonicContact OD2-NE 3.13Å; D1087-R1089 PolarHBondContact OD2-NE 3.2Å; D1087-R1089 IonicContact OD2-NH1 3.98Å; D1087-R1089 PolarHBondContact OD2-NH1 2.83Å; D1087-R1089 IonicContact OD2-NH2 3.53Å
1088	G	84	Confident	87.1	Confident	50 Å²	50	72.3 Å²	72.3	52%	0.515	40%	0.4	S	S	.	.	S	Bend	trans	72.8	0.3	-177.8	0	0	0	0	0	115.5	S1085 T1086	S1085-G1088 PolarHBondContact O-N 3.02Å; S1085-G1088 PolarHBondContact OG-N 2.86Å; T1086-G1088 VanDerWaalsContact C-N 3.28Å; T1086-G1088 PolarHBondContact O-N 3.16Å
1089	R	84.1	Confident	87.1	Confident	161.2 Å²	161.2	72.1 Å²	72.1	61%	0.608	40%	0.399	S	S	*	.			trans	-76.2	140	176.6	-62.8	179.4	179.3	170.9	0.3	110.8	L1084 S1085 D1087 V1091	L1084-R1089 CarbonylContact C-O 3.52Å; L1084-R1089 WeakPolarHBondContact CA-O 3.39Å; S1085-R1089 WeakPolarHBondContact CB-O 3.46Å; S1085-R1089 PolarHBondContact N-O 3.14Å; S1085-R1089 PolarHBondContact OG-N 2.73Å; S1085-R1089 PolarHBondContact OG-O 3Å; D1087-R1089 VanDerWaalsContact C-N 3.28Å; D1087-R1089 HydrophobicContact CB-CG 4.33Å; D1087-R1089 PolarHBondContact O-N 3.06Å; D1087-R1089 VanDerWaalsContact O-N 3.16Å; D1087-R1089 WeakPolarHBondContact OD1-CB 3.49Å; D1087-R1089 PolarHBondContact OD1-N 2.95Å; D1087-R1089 VanDerWaalsContact OD2-CD 3.23Å; D1087-R1089 WeakPolarHBondContact OD2-CD 3.41Å; D1087-R1089 IonicContact OD2-CZ 3.72Å; D1087-R1089 IonicContact OD2-NE 3.13Å; D1087-R1089 PolarHBondContact OD2-NE 3.2Å; D1087-R1089 IonicContact OD2-NH1 3.98Å; D1087-R1089 PolarHBondContact OD2-NH1 2.83Å; D1087-R1089 IonicContact OD2-NH2 3.53Å; R1089-V1091 PolarHBondContact O-N 2.97Å
1090	P	83.4	Confident	87.2	Confident	74.8 Å²	74.8	74.4 Å²	74.4	49%	0.486	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.3	173.6	29	-33.5	0	0	0	111	I1082 T1083 L1084	I1082-P1090 HydrophobicContact CG2-CB 4.26Å; T1083-P1090 CarbonylContact O-C 3.54Å; T1083-P1090 VanDerWaalsContact O-CA 3.27Å; T1083-P1090 WeakPolarHBondContact O-CA 3.39Å; L1084-P1090 HydrophobicContact CD2-CB 4.4Å
1091	V	85.6	Confident	87.4	Confident	42.8 Å²	42.8	75.4 Å²	75.4	26%	0.259	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.9	174.9	-179	0	0	0	0	108	I1082 T1083 R1089 F1722	I1082-V1091 WeakPolarHBondContact CA-O 3.3Å; T1083-V1091 PolarHBondContact N-O 3.05Å; T1083-V1091 WeakPolarHBondContact O-CA 3.27Å; T1083-V1091 WeakPolarHBondContact O-CB 3.3Å; T1083-V1091 PolarHBondContact O-N 3.11Å; T1083-V1091 PolarHBondContact OG1-O 3.12Å; R1089-V1091 PolarHBondContact O-N 2.97Å; V1091-F1722 WeakPolarHBondContact CG1-O 3.48Å
1092	I	87.5	Confident	87.7	Confident	51.6 Å²	51.6	73.3 Å²	73.3	27%	0.265	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.1	178.8	-51.4	-177.3	0	0	0	108	I1075 A1079 I1082 F1094 L1724	I1075-I1092 HydrophobicContact CG2-CD1 4.09Å; I1075-I1092 HydrophobicContact CG2-CG2 4.4Å; A1079-I1092 HydrophobicContact CB-CG2 3.4Å; A1079-I1092 VanDerWaalsContact CB-CG2 3.45Å; I1082-I1092 HydrophobicContact CG1-CG1 4.47Å; I1082-I1092 HydrophobicContact CG1-CG2 4.4Å; I1092-F1094 HydrophobicContact CB-CE2 4.22Å; I1092-F1094 HydrophobicContact CB-CZ 4.13Å; I1092-F1094 HydrophobicContact CG2-CE1 3.86Å; I1092-F1094 HydrophobicContact CG2-CE2 3.85Å; I1092-F1094 HydrophobicContact CG2-CZ 3.38Å; I1092-F1094 VanDerWaalsContact CG2-CZ 3.41Å; I1092-F1094 WeakPolarHBondContact O-CE2 3.41Å; I1092-L1724 HydrophobicContact CB-CD1 4.36Å; I1092-L1724 HydrophobicContact CD1-CD1 4.11Å
1093	C	88.2	Confident	88	Confident	29.6 Å²	29.6	71.3 Å²	71.3	20%	0.2	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.6	-177.2	-63	0	0	0	0	110.6	T1080 T1081 T1083 S1721	T1080-C1093 PolarHBondContact N-O 3.12Å; T1080-C1093 PolarHBondContact OG1-O 3.04Å; T1081-C1093 PolarHBondContact N-O 3.06Å; T1081-C1093 WeakPolarHBondContact O-CB 3.46Å; T1081-C1093 PolarHBondContact O-N 3.04Å; T1081-C1093 WeakPolarHBondContact OG1-CB 3.35Å; T1083-C1093 PolarHBondContact OG1-SG 3.41Å; C1093-S1721 PolarHBondContact SG-OG 2.69Å
1094	F	89.6	Confident	88.3	Confident	42.8 Å²	42.8	74 Å²	74	19%	0.188	39%	0.39	C	S	.	.			trans	-127.4	133.7	-179	-51.4	-88	0	0	0	110.6	L1017 M1021 I1075 L1078 A1079 I1092 L1096 L1099 L1724	L1017-F1094 HydrophobicContact CD1-CD1 4.44Å; L1017-F1094 HydrophobicContact CD1-CE1 4.09Å; L1017-F1094 HydrophobicContact CD1-CZ 4.41Å; L1017-F1094 HydrophobicContact CD2-CZ 4.28Å; M1021-F1094 HydrophobicContact CE-CB 4.37Å; M1021-F1094 HydrophobicContact SD-CB 4.5Å; I1075-F1094 HydrophobicContact CG2-CE1 4.16Å; I1075-F1094 HydrophobicContact CG2-CZ 3.78Å; L1078-F1094 HydrophobicContact CB-CE1 4.44Å; L1078-F1094 WeakPolarHBondContact O-CD1 3.34Å; A1079-F1094 HydrophobicContact CB-CD1 4.47Å; A1079-F1094 HydrophobicContact CB-CE1 4.19Å; I1092-F1094 HydrophobicContact CB-CE2 4.22Å; I1092-F1094 HydrophobicContact CB-CZ 4.13Å; I1092-F1094 HydrophobicContact CG2-CE1 3.86Å; I1092-F1094 HydrophobicContact CG2-CE2 3.85Å; I1092-F1094 HydrophobicContact CG2-CZ 3.38Å; I1092-F1094 VanDerWaalsContact CG2-CZ 3.41Å; I1092-F1094 WeakPolarHBondContact O-CE2 3.41Å; F1094-L1096 PolarHBondContact O-N 3.11Å; F1094-L1099 HydrophobicContact CB-CD1 3.64Å; F1094-L1099 HydrophobicContact CB-CG 4.34Å; F1094-L1099 HydrophobicContact CD1-CD1 3.96Å; F1094-L1099 HydrophobicContact CG-CD1 3.97Å; F1094-L1724 HydrophobicContact CE2-CD1 4.02Å; F1094-L1724 HydrophobicContact CZ-CD1 3.97Å
1095	D	89.8	Confident	88.7	Confident	68.6 Å²	68.6	71.5 Å²	71.5	37%	0.367	37%	0.374	S	S	.	.			trans	-74.7	110.1	161.6	173.7	26.4	0	0	0	109.7	T1080 K1097 H1098 L1099	T1080-D1095 HydrophobicContact CG2-CB 4.28Å; T1080-D1095 PolarHBondContact OG1-N 3.16Å; D1095-K1097 PolarHBondContact O-N 3.31Å; D1095-K1097 VanDerWaalsContact OD1-CB 3.3Å; D1095-K1097 WeakPolarHBondContact OD1-CB 3.34Å; D1095-K1097 PolarHBondContact OD1-N 3.15Å; D1095-H1098 HydrophobicContact CB-CB 4.01Å; D1095-H1098 PolarHBondContact O-N 3.14Å; D1095-H1098 VanDerWaalsContact OD2-CB 3.3Å; D1095-H1098 WeakPolarHBondContact OD2-CB 3.33Å; D1095-H1098 PolarHBondContact OD2-N 2.98Å; D1095-H1098 VanDerWaalsContact OD2-N 3.07Å; D1095-L1099 WeakPolarHBondContact O-CG 3.28Å; D1095-L1099 PolarHBondContact O-N 3.17Å
1096	L	88.6	Confident	89.2	Confident	40.2 Å²	40.2	70.6 Å²	70.6	21%	0.21	36%	0.364	C	S	.	.	H	α-helix	trans	-57.2	-32.8	175.4	178.7	61.8	0	0	0	112.2	L1018 M1021 K1025 L1027 F1094 L1099 L1100	L1018-L1096 HydrophobicContact CD2-CD1 3.71Å; M1021-L1096 HydrophobicContact CB-CD1 4.25Å; M1021-L1096 HydrophobicContact CE-CB 3.88Å; M1021-L1096 HydrophobicContact CE-CD1 3.97Å; M1021-L1096 HydrophobicContact CE-CG 4.42Å; M1021-L1096 HydrophobicContact SD-CD1 4.01Å; K1025-L1096 HydrophobicContact CD-CD2 4.45Å; L1027-L1096 HydrophobicContact CD1-CD2 3.62Å; L1027-L1096 VanDerWaalsContact CD1-CD2 3.45Å; L1027-L1096 HydrophobicContact CD2-CD2 4.09Å; F1094-L1096 PolarHBondContact O-N 3.11Å; L1096-L1099 PolarHBondContact O-N 3.12Å; L1096-L1100 HydrophobicContact CD1-CD1 4.08Å; L1096-L1100 HydrophobicContact CD1-CG 4.1Å; L1096-L1100 HydrophobicContact CD2-CD1 4.48Å; L1096-L1100 HydrophobicContact CG-CD1 3.95Å; L1096-L1100 HydrophobicContact CG-CG 4.4Å; L1096-L1100 WeakPolarHBondContact O-CB 3.39Å; L1096-L1100 VanDerWaalsContact O-CG 3.25Å; L1096-L1100 WeakPolarHBondContact O-CG 3.4Å; L1096-L1100 PolarHBondContact O-N 2.93Å
1097	K	89.9	Confident	89.6	Confident	138.6 Å²	138.6	68.5 Å²	68.5	60%	0.603	34%	0.344	S	S	*	.	H	α-helix	trans	-67	-50.7	178.4	-175.3	-171.1	174.7	-170.7	0	110.6	D1095 L1099 L1100 Q1101	D1095-K1097 PolarHBondContact O-N 3.31Å; D1095-K1097 VanDerWaalsContact OD1-CB 3.3Å; D1095-K1097 WeakPolarHBondContact OD1-CB 3.34Å; D1095-K1097 PolarHBondContact OD1-N 3.15Å; K1097-L1099 VanDerWaalsContact C-N 3.33Å; K1097-L1099 PolarHBondContact O-N 3.32Å; K1097-L1100 PolarHBondContact O-N 3.2Å; K1097-Q1101 WeakPolarHBondContact O-CG 3.31Å; K1097-Q1101 PolarHBondContact O-N 3.22Å
1098	H	90.7	Very high	89.9	Confident	73.4 Å²	73.4	69.7 Å²	69.7	34%	0.34	35%	0.347	S	S	.	.	H	α-helix	trans	-56.4	-44.4	173.3	178.7	-121.5	0	0	0	112.3	D1095 L1100 Q1101 L1102	D1095-H1098 HydrophobicContact CB-CB 4.01Å; D1095-H1098 PolarHBondContact O-N 3.14Å; D1095-H1098 VanDerWaalsContact OD2-CB 3.3Å; D1095-H1098 WeakPolarHBondContact OD2-CB 3.33Å; D1095-H1098 PolarHBondContact OD2-N 2.98Å; D1095-H1098 VanDerWaalsContact OD2-N 3.07Å; H1098-L1100 PolarHBondContact O-N 3.17Å; H1098-Q1101 PolarHBondContact O-N 3.05Å; H1098-L1102 WeakPolarHBondContact O-CB 3.41Å; H1098-L1102 WeakPolarHBondContact O-CG 3.3Å; H1098-L1102 PolarHBondContact O-N 3.04Å
1099	L	92.7	Very high	90.1	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-65.7	-36.1	178.3	-67.5	-169.2	0	0	0	113.3	L1014 L1017 L1018 M1021 L1078 F1094 D1095 L1096 K1097 L1102 Q1103	L1014-L1099 HydrophobicContact CD1-CB 3.98Å; L1014-L1099 HydrophobicContact CD1-CD1 4.38Å; L1014-L1099 HydrophobicContact CD1-CD2 3.79Å; L1014-L1099 HydrophobicContact CD1-CG 4.26Å; L1017-L1099 HydrophobicContact CB-CD1 4.41Å; L1018-L1099 HydrophobicContact CD1-CB 4.47Å; L1018-L1099 HydrophobicContact CD2-CB 3.94Å; L1018-L1099 HydrophobicContact CD2-CD1 4.27Å; L1018-L1099 HydrophobicContact CG-CB 4.38Å; M1021-L1099 HydrophobicContact CE-CD1 3.54Å; M1021-L1099 VanDerWaalsContact CE-CD1 3.49Å; M1021-L1099 HydrophobicContact SD-CD1 4.23Å; L1078-L1099 HydrophobicContact CB-CD2 4.22Å; L1078-L1099 HydrophobicContact CD2-CD2 4.33Å; F1094-L1099 HydrophobicContact CB-CD1 3.64Å; F1094-L1099 HydrophobicContact CB-CG 4.34Å; F1094-L1099 HydrophobicContact CD1-CD1 3.96Å; F1094-L1099 HydrophobicContact CG-CD1 3.97Å; D1095-L1099 WeakPolarHBondContact O-CG 3.28Å; D1095-L1099 PolarHBondContact O-N 3.17Å; L1096-L1099 PolarHBondContact O-N 3.12Å; K1097-L1099 VanDerWaalsContact C-N 3.33Å; K1097-L1099 PolarHBondContact O-N 3.32Å; L1099-L1102 HydrophobicContact CD2-CD1 4.34Å; L1099-L1102 PolarHBondContact O-N 3.25Å; L1099-Q1103 PolarHBondContact O-N 3.13Å
1100	L	92.7	Very high	90.4	Very high	69.6 Å²	69.6	67 Å²	67	36%	0.364	33%	0.329	S	S	.	.	H	α-helix	trans	-69.4	-40.9	173.9	-72.8	168.9	0	0	0	112.1	L1018 L1096 K1097 H1098 L1102 Q1103 E1104	L1018-L1100 HydrophobicContact CD1-CD2 4.43Å; L1018-L1100 HydrophobicContact CD2-CD2 3.98Å; L1018-L1100 HydrophobicContact CD2-CG 4.19Å; L1096-L1100 HydrophobicContact CD1-CD1 4.08Å; L1096-L1100 HydrophobicContact CD1-CG 4.1Å; L1096-L1100 HydrophobicContact CD2-CD1 4.48Å; L1096-L1100 HydrophobicContact CG-CD1 3.95Å; L1096-L1100 HydrophobicContact CG-CG 4.4Å; L1096-L1100 WeakPolarHBondContact O-CB 3.39Å; L1096-L1100 VanDerWaalsContact O-CG 3.25Å; L1096-L1100 WeakPolarHBondContact O-CG 3.4Å; L1096-L1100 PolarHBondContact O-N 2.93Å; K1097-L1100 PolarHBondContact O-N 3.2Å; H1098-L1100 PolarHBondContact O-N 3.17Å; L1100-L1102 VanDerWaalsContact C-N 3.28Å; L1100-L1102 PolarHBondContact O-N 3.01Å; L1100-Q1103 WeakPolarHBondContact O-CA 3.47Å; L1100-Q1103 WeakPolarHBondContact O-CB 3.32Å; L1100-Q1103 PolarHBondContact O-N 3.1Å; L1100-Q1103 VanDerWaalsContact O-N 3.1Å; L1100-E1104 PolarHBondContact O-N 3.02Å
1101	Q	93.2	Very high	90.6	Very high	98.6 Å²	98.6	69.3 Å²	69.3	46%	0.461	34%	0.341	S	S	.	.	H	α-helix	trans	-63.5	-34.1	173.5	-70.5	179.8	-48.4	0	0	112	K1097 H1098 K1105	K1097-Q1101 WeakPolarHBondContact O-CG 3.31Å; K1097-Q1101 PolarHBondContact O-N 3.22Å; H1098-Q1101 PolarHBondContact O-N 3.05Å; Q1101-K1105 WeakPolarHBondContact O-CB 3.26Å; Q1101-K1105 VanDerWaalsContact O-CG 3.27Å; Q1101-K1105 WeakPolarHBondContact O-CG 3.49Å; Q1101-K1105 PolarHBondContact O-N 2.98Å; Q1101-K1105 VanDerWaalsContact O-N 3.09Å
1102	L	92.4	Very high	90.8	Very high	28.2 Å²	28.2	73.5 Å²	73.5	15%	0.148	36%	0.362	C	S	.	.	H	α-helix	trans	-69.4	-36	170.8	-86.9	164.3	0	0	0	112.2	L1014 L1078 H1098 L1099 L1100 K1105 Y1106	L1014-L1102 HydrophobicContact CD1-CD2 4.38Å; L1014-L1102 HydrophobicContact CD2-CB 3.92Å; L1014-L1102 HydrophobicContact CD2-CD2 4.03Å; L1014-L1102 HydrophobicContact CD2-CG 4.06Å; L1078-L1102 HydrophobicContact CD2-CD1 3.83Å; L1078-L1102 HydrophobicContact CD2-CD2 3.36Å; H1098-L1102 WeakPolarHBondContact O-CB 3.41Å; H1098-L1102 WeakPolarHBondContact O-CG 3.3Å; H1098-L1102 PolarHBondContact O-N 3.04Å; L1099-L1102 HydrophobicContact CD2-CD1 4.34Å; L1099-L1102 PolarHBondContact O-N 3.25Å; L1100-L1102 VanDerWaalsContact C-N 3.28Å; L1100-L1102 PolarHBondContact O-N 3.01Å; L1102-K1105 HydrophobicContact CD2-CD 4.17Å; L1102-K1105 PolarHBondContact O-N 3.12Å; L1102-Y1106 HydrophobicContact CD1-CE2 4.03Å; L1102-Y1106 HydrophobicContact CD2-CE2 4.08Å; L1102-Y1106 HydrophobicContact CG-CD2 4.04Å; L1102-Y1106 HydrophobicContact CG-CE2 3.71Å; L1102-Y1106 WeakPolarHBondContact O-CD2 3.3Å; L1102-Y1106 PolarHBondContact O-N 3.15Å; L1102-Y1106 VanDerWaalsContact O-N 3.1Å
1103	Q	93.1	Very high	91	Very high	42 Å²	42	74.7 Å²	74.7	20%	0.196	36%	0.363	C	S	.	.	H	α-helix	trans	-60.9	-53.5	174.7	-176.9	-179.9	-1.2	0	0	110.1	L1014 L1018 L1099 L1100 K1105 Y1106 E1107	L1014-Q1103 HydrophobicContact CD2-CB 4.2Å; L1018-Q1103 HydrophobicContact CD1-CB 3.74Å; L1018-Q1103 HydrophobicContact CD1-CG 4.19Å; L1018-Q1103 VanDerWaalsContact CD1-OE1 3.28Å; L1099-Q1103 PolarHBondContact O-N 3.13Å; L1100-Q1103 WeakPolarHBondContact O-CA 3.47Å; L1100-Q1103 WeakPolarHBondContact O-CB 3.32Å; L1100-Q1103 PolarHBondContact O-N 3.1Å; L1100-Q1103 VanDerWaalsContact O-N 3.1Å; Q1103-K1105 VanDerWaalsContact C-N 3.34Å; Q1103-K1105 PolarHBondContact O-N 3.19Å; Q1103-Y1106 WeakPolarHBondContact O-CA 3.2Å; Q1103-Y1106 PolarHBondContact O-N 3.06Å; Q1103-E1107 HydrophobicContact CG-CG 4.43Å; Q1103-E1107 VanDerWaalsContact CG-OE1 3.3Å; Q1103-E1107 WeakPolarHBondContact CG-OE1 3.41Å; Q1103-E1107 PolarHBondContact NE2-OE1 3.23Å; Q1103-E1107 WeakPolarHBondContact O-CG 3.37Å; Q1103-E1107 PolarHBondContact O-N 3.09Å
1104	E	93.5	Very high	91.3	Very high	119.6 Å²	119.6	75.2 Å²	75.2	56%	0.559	36%	0.363	S	S	*	.	H	α-helix	trans	-53.6	-50.6	177.5	-175.4	171.7	-137.4	0	0	111.5	L1100 Y1106 E1107 E1108	L1100-E1104 PolarHBondContact O-N 3.02Å; E1104-Y1106 VanDerWaalsContact C-N 3.27Å; E1104-Y1106 PolarHBondContact O-N 3.22Å; E1104-E1107 PolarHBondContact O-N 3.26Å; E1104-E1107 VanDerWaalsContact O-N 3.09Å; E1104-E1108 WeakPolarHBondContact O-CG 3.41Å; E1104-E1108 PolarHBondContact O-N 3.14Å
1105	K	92.8	Very high	91.4	Very high	77.8 Å²	77.8	78 Å²	78	34%	0.338	39%	0.386	S	S	.	.	H	α-helix	trans	-59.8	-29.5	176.2	-155.2	178.1	-170.2	179.2	0	113.8	D711 Q1101 L1102 Q1103 R1109	D711-K1105 WeakPolarHBondContact OD2-CE 3.37Å; D711-K1105 IonicContact OD2-NZ 3.68Å; D711-K1105 PolarHBondContact OD2-NZ 2.82Å; Q1101-K1105 WeakPolarHBondContact O-CB 3.26Å; Q1101-K1105 VanDerWaalsContact O-CG 3.27Å; Q1101-K1105 WeakPolarHBondContact O-CG 3.49Å; Q1101-K1105 PolarHBondContact O-N 2.98Å; Q1101-K1105 VanDerWaalsContact O-N 3.09Å; L1102-K1105 HydrophobicContact CD2-CD 4.17Å; L1102-K1105 PolarHBondContact O-N 3.12Å; Q1103-K1105 VanDerWaalsContact C-N 3.34Å; Q1103-K1105 PolarHBondContact O-N 3.19Å; K1105-R1109 WeakPolarHBondContact O-CB 3.27Å; K1105-R1109 VanDerWaalsContact O-CD 3.27Å; K1105-R1109 WeakPolarHBondContact O-CD 3.26Å; K1105-R1109 WeakPolarHBondContact O-CG 3.36Å; K1105-R1109 PolarHBondContact O-N 2.96Å
1106	Y	93	Very high	91.7	Very high	22 Å²	22	76.3 Å²	76.3	9%	0.086	38%	0.376	C	S	.	.	H	α-helix	trans	-81.2	-34.4	173.5	-80.1	-57	0	0	0	112.5	R1010 L1014 L1102 Q1103 E1104 R1109 S1110 W1113	R1010-Y1106 HydrophobicContact CB-CE2 4.14Å; R1010-Y1106 WeakPolarHBondContact CB-OH 3.33Å; L1014-Y1106 HydrophobicContact CD2-CD2 3.97Å; L1014-Y1106 HydrophobicContact CD2-CE2 4.37Å; L1102-Y1106 HydrophobicContact CD1-CE2 4.03Å; L1102-Y1106 HydrophobicContact CD2-CE2 4.08Å; L1102-Y1106 HydrophobicContact CG-CD2 4.04Å; L1102-Y1106 HydrophobicContact CG-CE2 3.71Å; L1102-Y1106 WeakPolarHBondContact O-CD2 3.3Å; L1102-Y1106 PolarHBondContact O-N 3.15Å; L1102-Y1106 VanDerWaalsContact O-N 3.1Å; Q1103-Y1106 WeakPolarHBondContact O-CA 3.2Å; Q1103-Y1106 PolarHBondContact O-N 3.06Å; E1104-Y1106 VanDerWaalsContact C-N 3.27Å; E1104-Y1106 PolarHBondContact O-N 3.22Å; Y1106-R1109 PolarHBondContact O-N 3.21Å; Y1106-S1110 WeakPolarHBondContact O-CB 3.34Å; Y1106-S1110 PolarHBondContact O-N 3Å; Y1106-W1113 HydrophobicContact CD1-CH2 4.33Å; Y1106-W1113 HydrophobicContact CD1-CZ2 4.17Å; Y1106-W1113 WeakPolarHBondContact O-CH2 3.24Å; Y1106-W1113 WeakPolarHBondContact O-CZ2 3.38Å
1107	E	91.6	Very high	92	Very high	99.4 Å²	99.4	77.6 Å²	77.6	46%	0.464	38%	0.383	S	S	.	.	H	α-helix	trans	-68.8	-45.5	177.5	-73.6	173.5	177.3	0	0	111.5	Q1103 E1104 R1109 S1110	Q1103-E1107 HydrophobicContact CG-CG 4.43Å; Q1103-E1107 VanDerWaalsContact CG-OE1 3.3Å; Q1103-E1107 WeakPolarHBondContact CG-OE1 3.41Å; Q1103-E1107 PolarHBondContact NE2-OE1 3.23Å; Q1103-E1107 WeakPolarHBondContact O-CG 3.37Å; Q1103-E1107 PolarHBondContact O-N 3.09Å; E1104-E1107 PolarHBondContact O-N 3.26Å; E1104-E1107 VanDerWaalsContact O-N 3.09Å; E1107-R1109 VanDerWaalsContact C-N 3.3Å; E1107-R1109 PolarHBondContact O-N 3.06Å; E1107-S1110 WeakPolarHBondContact O-CB 3.37Å; E1107-S1110 PolarHBondContact O-N 3.25Å; E1107-S1110 VanDerWaalsContact O-N 3.14Å; E1107-S1110 PolarHBondContact O-OG 2.96Å
1108	E	91.2	Very high	92.2	Very high	132.6 Å²	132.6	76 Å²	76	62%	0.62	38%	0.378	S	S	*	.	H	α-helix	trans	-53.3	-46.9	170.3	-70.5	-177.7	143.1	0	0	111.9	E1104 S1110	E1104-E1108 WeakPolarHBondContact O-CG 3.41Å; E1104-E1108 PolarHBondContact O-N 3.14Å; E1108-S1110 VanDerWaalsContact C-N 3.27Å; E1108-S1110 PolarHBondContact O-N 3.08Å
1109	R	89	Confident	92.4	Very high	105.6 Å²	105.6	79.3 Å²	79.3	40%	0.398	39%	0.394	S	S	.	.	H	α-helix	trans	-69.2	-24.3	179.9	-71.9	173.5	178.8	-169.5	-7.7	112.7	D711 K1105 Y1106 E1107 V1111 N1112 W1113	D711-R1109 IonicContact OD1-NH2 3.05Å; D711-R1109 IonicContact OD2-CZ 3.78Å; D711-R1109 IonicContact OD2-NH1 3.23Å; D711-R1109 IonicContact OD2-NH2 2.64Å; D711-R1109 PolarHBondContact OD2-NH2 3.41Å; K1105-R1109 WeakPolarHBondContact O-CB 3.27Å; K1105-R1109 VanDerWaalsContact O-CD 3.27Å; K1105-R1109 WeakPolarHBondContact O-CD 3.26Å; K1105-R1109 WeakPolarHBondContact O-CG 3.36Å; K1105-R1109 PolarHBondContact O-N 2.96Å; Y1106-R1109 PolarHBondContact O-N 3.21Å; E1107-R1109 VanDerWaalsContact C-N 3.3Å; E1107-R1109 PolarHBondContact O-N 3.06Å; R1109-V1111 VanDerWaalsContact C-N 3.27Å; R1109-V1111 PolarHBondContact O-N 3.16Å; R1109-N1112 PolarHBondContact O-N 3.08Å; R1109-N1112 VanDerWaalsContact O-N 3.15Å; R1109-W1113 HydrophobicContact CB-CZ2 4.31Å; R1109-W1113 VanDerWaalsContact O-CD1 3.29Å; R1109-W1113 PolarHBondContact O-NE1 3.12Å; R1109-W1113 VanDerWaalsContact O-NE1 3.15Å
1110	S	90	Very high	92.5	Very high	50.2 Å²	50.2	80.7 Å²	80.7	35%	0.351	40%	0.403	S	S	.	.	H	α-helix	trans	-66.6	-26	-175.7	77.7	0	0	0	0	113.9	Y1106 E1107 E1108 N1112 W1113	Y1106-S1110 WeakPolarHBondContact O-CB 3.34Å; Y1106-S1110 PolarHBondContact O-N 3Å; E1107-S1110 WeakPolarHBondContact O-CB 3.37Å; E1107-S1110 PolarHBondContact O-N 3.25Å; E1107-S1110 VanDerWaalsContact O-N 3.14Å; E1107-S1110 PolarHBondContact O-OG 2.96Å; E1108-S1110 VanDerWaalsContact C-N 3.27Å; E1108-S1110 PolarHBondContact O-N 3.08Å; S1110-N1112 PolarHBondContact O-N 3.1Å; S1110-N1112 VanDerWaalsContact O-N 3.13Å; S1110-W1113 WeakPolarHBondContact O-CB 3.33Å; S1110-W1113 PolarHBondContact O-N 3.02Å
1111	V	87.9	Confident	92.7	Very high	121.4 Å²	121.4	78.1 Å²	78.1	74%	0.736	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.6	174.5	-176.3	0	0	0	0	112.1	R1109	R1109-V1111 VanDerWaalsContact C-N 3.27Å; R1109-V1111 PolarHBondContact O-N 3.16Å
1112	N	88.5	Confident	92.9	Very high	131.2 Å²	131.2	81.9 Å²	81.9	70%	0.702	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	7	179.9	-64.3	-53.6	0	0	0	113.6	A971 R1109 S1110	A971-N1112 WeakPolarHBondContact CB-O 3.36Å; R1109-N1112 PolarHBondContact O-N 3.08Å; R1109-N1112 VanDerWaalsContact O-N 3.15Å; S1110-N1112 PolarHBondContact O-N 3.1Å; S1110-N1112 VanDerWaalsContact O-N 3.13Å
1113	W	92.2	Very high	93	Very high	76.8 Å²	76.8	81.9 Å²	81.9	29%	0.291	40%	0.398	S	S	.	.	S	Bend	trans	-85.9	148.4	176.1	-61.9	-7.4	0	0	0	110.9	R974 Y1106 R1109 S1110 P1115	R974-W1113 HydrophobicContact CG-CG 4.48Å; R974-W1113 VanDerWaalsContact NH1-CE2 3.34Å; Y1106-W1113 HydrophobicContact CD1-CH2 4.33Å; Y1106-W1113 HydrophobicContact CD1-CZ2 4.17Å; Y1106-W1113 WeakPolarHBondContact O-CH2 3.24Å; Y1106-W1113 WeakPolarHBondContact O-CZ2 3.38Å; R1109-W1113 HydrophobicContact CB-CZ2 4.31Å; R1109-W1113 VanDerWaalsContact O-CD1 3.29Å; R1109-W1113 PolarHBondContact O-NE1 3.12Å; R1109-W1113 VanDerWaalsContact O-NE1 3.15Å; S1110-W1113 WeakPolarHBondContact O-CB 3.33Å; S1110-W1113 PolarHBondContact O-N 3.02Å; W1113-P1115 VanDerWaalsContact O-CD 3.25Å; W1113-P1115 WeakPolarHBondContact O-CD 3.39Å
1114	I	94.1	Very high	92.9	Very high	40.8 Å²	40.8	84.2 Å²	84.2	21%	0.209	42%	0.419	C	S	.	.			trans	-82.5	111.4	168.5	-60	164.7	0	0	0	106.7	I866 A971 Y972 F975	I866-I1114 HydrophobicContact CD1-CD1 4.05Å; I866-I1114 HydrophobicContact CD1-CG1 4.46Å; I866-I1114 HydrophobicContact CD1-CG2 3.59Å; A971-I1114 HydrophobicContact CB-CD1 4.36Å; A971-I1114 HydrophobicContact CB-CG1 4.22Å; Y972-I1114 HydrophobicContact CD1-CD1 3.47Å; Y972-I1114 VanDerWaalsContact CD1-CD1 3.47Å; Y972-I1114 HydrophobicContact CE1-CD1 3.56Å; Y972-I1114 VanDerWaalsContact CE1-CD1 3.48Å; Y972-I1114 HydrophobicContact CG-CD1 4.05Å; F975-I1114 HydrophobicContact CB-CB 4.33Å; F975-I1114 HydrophobicContact CB-CD1 4.43Å; F975-I1114 HydrophobicContact CD2-CB 4.07Å; F975-I1114 HydrophobicContact CD2-CG2 3.51Å; F975-I1114 VanDerWaalsContact CD2-CG2 3.5Å; F975-I1114 HydrophobicContact CE2-CG2 3.99Å; F975-I1114 HydrophobicContact CG-CG2 4.29Å
1115	P	92.6	Very high	92.6	Very high	102 Å²	102	80.8 Å²	80.8	66%	0.662	41%	0.407	S	S	*	.			trans	-69.3	147.9	177.1	30.2	-35.1	0	0	0	110.5	W1113	W1113-P1115 VanDerWaalsContact O-CD 3.25Å; W1113-P1115 WeakPolarHBondContact O-CD 3.39Å
1116	I	95.2	Very high	92	Very high	32 Å²	32	82.4 Å²	82.4	16%	0.164	42%	0.418	C	S	.	.			trans	-102.1	120.7	170.4	-55.7	-168.2	0	0	0	108.4	Y861 F975 D978 F979 L982 E1118	Y861-I1116 HydrophobicContact CE2-CG2 3.82Å; F975-I1116 HydrophobicContact CD2-CD1 3.96Å; F975-I1116 HydrophobicContact CD2-CG1 3.68Å; F975-I1116 HydrophobicContact CE2-CD1 4.06Å; F975-I1116 HydrophobicContact CE2-CG1 3.72Å; F975-I1116 HydrophobicContact CG-CD1 4.47Å; D978-I1116 HydrophobicContact CB-CD1 3.69Å; D978-I1116 HydrophobicContact CB-CG1 4.46Å; F979-I1116 HydrophobicContact CB-CD1 3.83Å; F979-I1116 HydrophobicContact CD2-CD1 4.26Å; F979-I1116 VanDerWaalsContact N-CD1 3.3Å; L982-I1116 HydrophobicContact CD2-CG2 3.66Å; I1116-E1118 PolarHBondContact O-N 2.75Å
1117	D	94.9	Very high	90.6	Very high	66.8 Å²	66.8	87.2 Å²	87.2	36%	0.357	44%	0.444	S	S	.	.			trans	-88	111.7	169.8	178.7	9.3	0	0	0	109.8	Y861 E1119 C1120	Y861-D1117 VanDerWaalsContact CE2-O 3.29Å; Y861-D1117 WeakPolarHBondContact CE2-O 3.39Å; Y861-D1117 PolarHBondContact OH-N 3.29Å; D1117-E1119 VanDerWaalsContact C-N 3.26Å; D1117-E1119 PolarHBondContact O-N 3.03Å; D1117-E1119 WeakPolarHBondContact OD1-CA 3.45Å; D1117-E1119 WeakPolarHBondContact OD1-CB 3.22Å; D1117-E1119 PolarHBondContact OD1-N 3.03Å; D1117-C1120 HydrophobicContact CB-CB 4.07Å; D1117-C1120 WeakPolarHBondContact O-CB 3.41Å; D1117-C1120 PolarHBondContact O-N 3.11Å; D1117-C1120 VanDerWaalsContact O-N 3.11Å; D1117-C1120 PolarHBondContact OD2-N 3.1Å; D1117-C1120 PolarHBondContact OD2-SG 3.19Å; D1117-C1120 VanDerWaalsContact OD2-SG 3.36Å
1118	E	94.8	Very high	88.9	Confident	105 Å²	105	85.9 Å²	85.9	49%	0.491	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-65.4	-25.8	178.2	-54.1	-167.8	170	0	0	111.6	L982 R985 I1116 C1120 L1121	L982-E1118 HydrophobicContact CD1-CB 4.38Å; L982-E1118 HydrophobicContact CD1-CG 3.78Å; L982-E1118 WeakPolarHBondContact CD1-OE1 3.08Å; L982-E1118 HydrophobicContact CD2-CG 4.23Å; R985-E1118 IonicContact CZ-OE1 3.37Å; R985-E1118 IonicContact NE-OE1 3.92Å; R985-E1118 PolarHBondContact NE-OE1 3Å; R985-E1118 IonicContact NH1-OE1 3.34Å; R985-E1118 PolarHBondContact NH1-OE1 3.24Å; R985-E1118 IonicContact NH1-OE2 3.26Å; R985-E1118 PolarHBondContact NH1-OE2 3.22Å; R985-E1118 IonicContact NH2-OE1 3.35Å; R985-E1118 PolarHBondContact NH2-OE1 3.02Å; I1116-E1118 PolarHBondContact O-N 2.75Å; E1118-C1120 VanDerWaalsContact C-N 3.29Å; E1118-C1120 PolarHBondContact O-N 3.16Å; E1118-L1121 WeakPolarHBondContact O-CB 3.37Å; E1118-L1121 PolarHBondContact O-N 3.03Å
1119	E	94.7	Very high	86.7	Confident	143.6 Å²	143.6	83.7 Å²	83.7	67%	0.671	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-72.9	-13.6	173	-63	-164.7	-168.3	0	0	113.2	D1117 L1121 R1122	D1117-E1119 VanDerWaalsContact C-N 3.26Å; D1117-E1119 PolarHBondContact O-N 3.03Å; D1117-E1119 WeakPolarHBondContact OD1-CA 3.45Å; D1117-E1119 WeakPolarHBondContact OD1-CB 3.22Å; D1117-E1119 PolarHBondContact OD1-N 3.03Å; E1119-L1121 VanDerWaalsContact C-N 3.32Å; E1119-R1122 PolarHBondContact O-NH1 3.08Å; E1119-R1122 PolarHBondContact O-NH2 3.15Å
1120	C	95.9	Very high	84.9	Confident	29.2 Å²	29.2	84.6 Å²	84.6	20%	0.197	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-85.5	-7.6	172.6	-81.7	0	0	0	0	114	Y861 R862 C863 D1117 E1118	Y861-C1120 WeakPolarHBondContact CA-O 3.39Å; Y861-C1120 HydrophobicContact CD2-CB 3.99Å; Y861-C1120 HydrophobicContact CE2-CB 3.74Å; R862-C1120 WeakPolarHBondContact O-CB 3.4Å; R862-C1120 PolarHBondContact O-SG 3.25Å; R862-C1120 VanDerWaalsContact O-SG 3.39Å; C863-C1120 HydrophobicContact CB-CB 4.03Å; D1117-C1120 HydrophobicContact CB-CB 4.07Å; D1117-C1120 WeakPolarHBondContact O-CB 3.41Å; D1117-C1120 PolarHBondContact O-N 3.11Å; D1117-C1120 VanDerWaalsContact O-N 3.11Å; D1117-C1120 PolarHBondContact OD2-N 3.1Å; D1117-C1120 PolarHBondContact OD2-SG 3.19Å; D1117-C1120 VanDerWaalsContact OD2-SG 3.36Å; E1118-C1120 VanDerWaalsContact C-N 3.29Å; E1118-C1120 PolarHBondContact O-N 3.16Å
1121	L	97	Very high	83.1	Confident	16 Å²	16	88.3 Å²	88.3	8%	0.084	46%	0.456	C	S	.	.	B	Isolated β-bridge	trans	-84.7	130.7	179.3	-172.3	67	0	0	0	112.1	I860 Y861 F979 L982 L983 I986 E1118 E1119 W1123	I860-L1121 HydrophobicContact CD1-CD1 4.36Å; I860-L1121 CarbonylContact O-C 3.59Å; I860-L1121 WeakPolarHBondContact O-CD1 3.29Å; Y861-L1121 HydrophobicContact CD2-CB 4.39Å; Y861-L1121 HydrophobicContact CD2-CD1 4.44Å; F979-L1121 HydrophobicContact CE2-CD1 4.05Å; F979-L1121 HydrophobicContact CZ-CD1 3.69Å; L982-L1121 HydrophobicContact CD1-CD2 4.48Å; L982-L1121 HydrophobicContact CD2-CD2 3.87Å; L982-L1121 HydrophobicContact CG-CD2 3.97Å; L983-L1121 HydrophobicContact CD2-CD2 4.34Å; I986-L1121 HydrophobicContact CD1-CD2 3.33Å; E1118-L1121 WeakPolarHBondContact O-CB 3.37Å; E1118-L1121 PolarHBondContact O-N 3.03Å; E1119-L1121 VanDerWaalsContact C-N 3.32Å; L1121-W1123 HydrophobicContact CD1-CB 3.87Å; L1121-W1123 HydrophobicContact CD2-CB 4.27Å; L1121-W1123 HydrophobicContact CG-CB 3.9Å
1122	R	95.6	Very high	81.1	Confident	177.4 Å²	177.4	88 Å²	88	67%	0.669	45%	0.449	S	S	*	.			trans	-125.9	63.9	179.3	-62.9	-65.9	172.9	-89.4	-9.3	109.5	I860 E1119	I860-R1122 PolarHBondContact O-N 3.34Å; E1119-R1122 PolarHBondContact O-NH1 3.08Å; E1119-R1122 PolarHBondContact O-NH2 3.15Å
1123	W	95.7	Very high	78.8	Confident	29 Å²	29	87.5 Å²	87.5	11%	0.11	45%	0.446	C	S	.	.			trans	-130.2	163.4	-174	-173	75.2	0	0	0	111.4	I860 E870 L983 I986 E987 L1121 P1125	I860-W1123 HydrophobicContact CB-CB 4.35Å; I860-W1123 HydrophobicContact CD1-CB 4.46Å; I860-W1123 HydrophobicContact CD1-CG 4.28Å; E870-W1123 PolarHBondContact OE1-NE1 3.18Å; L983-W1123 HydrophobicContact CB-CH2 4.44Å; L983-W1123 HydrophobicContact CB-CZ3 4.37Å; L983-W1123 HydrophobicContact CD2-CD2 3.77Å; L983-W1123 HydrophobicContact CD2-CE3 3.64Å; L983-W1123 HydrophobicContact CD2-CG 4.32Å; L983-W1123 HydrophobicContact CD2-CH2 4.33Å; L983-W1123 HydrophobicContact CD2-CZ2 4.45Å; L983-W1123 HydrophobicContact CD2-CZ3 3.93Å; I986-W1123 HydrophobicContact CB-CZ3 4.29Å; I986-W1123 HydrophobicContact CG2-CE3 4.02Å; I986-W1123 HydrophobicContact CG2-CZ3 3.91Å; E987-W1123 HydrophobicContact CG-CH2 3.72Å; E987-W1123 HydrophobicContact CG-CZ3 4.1Å; E987-W1123 WeakPolarHBondContact OE1-CH2 3.45Å; L1121-W1123 HydrophobicContact CD1-CB 3.87Å; L1121-W1123 HydrophobicContact CD2-CB 4.27Å; L1121-W1123 HydrophobicContact CG-CB 3.9Å; W1123-P1125 HydrophobicContact CH2-CB 4.17Å; W1123-P1125 HydrophobicContact CH2-CG 4Å; W1123-P1125 HydrophobicContact CZ3-CB 4.43Å; W1123-P1125 HydrophobicContact CZ3-CG 3.78Å
1124	S	90.4	Very high	76.5	Confident	90.2 Å²	90.2	90.6 Å²	90.6	63%	0.631	47%	0.467	S	S	*	.			trans	-153.9	139.3	172.9	-63.9	0	0	0	0	109.3	L1126	S1124-L1126 PolarHBondContact O-N 3.03Å
1125	P	87.5	Confident	73.8	Confident	47.2 Å²	47.2	94 Å²	94	31%	0.306	50%	0.495	S	S	.	.			trans	-54.6	141.2	179.9	-27.9	35.1	0	0	0	113.5	I986 E987 W1123 I1127	I986-P1125 HydrophobicContact CG2-CG 4.29Å; E987-P1125 HydrophobicContact CG-CB 4.19Å; E987-P1125 HydrophobicContact CG-CG 3.95Å; W1123-P1125 HydrophobicContact CH2-CB 4.17Å; W1123-P1125 HydrophobicContact CH2-CG 4Å; W1123-P1125 HydrophobicContact CZ3-CB 4.43Å; W1123-P1125 HydrophobicContact CZ3-CG 3.78Å; P1125-I1127 VanDerWaalsContact C-N 3.32Å; P1125-I1127 HydrophobicContact CB-CG1 4.34Å; P1125-I1127 PolarHBondContact O-N 3.11Å
1126	L	79.4	Confident	71.2	Confident	111.4 Å²	111.4	92.3 Å²	92.3	58%	0.583	49%	0.49	S	S	*	.			trans	-76.9	71.4	173.5	-66.5	-179.8	0	0	0	110.7	L904 S1124 H1128	L904-L1126 HydrophobicContact CD1-CD1 4.03Å; L904-L1126 HydrophobicContact CD2-CD1 4.35Å; S1124-L1126 PolarHBondContact O-N 3.03Å; L1126-H1128 PolarHBondContact O-N 3.08Å
1127	I	64	Low	68.5	Low	123.4 Å²	123.4	98.1 Å²	98.1	63%	0.633	52%	0.521	S	S	*	.			trans	-52.1	110.5	177.4	-56.9	172.5	0	0	0	109.2	P1125 L1132	P1125-I1127 VanDerWaalsContact C-N 3.32Å; P1125-I1127 HydrophobicContact CB-CG1 4.34Å; P1125-I1127 PolarHBondContact O-N 3.11Å; I1127-L1132 HydrophobicContact CG2-CD1 4.22Å; I1127-L1132 HydrophobicContact CG2-CD2 4.16Å; I1127-L1132 HydrophobicContact CG2-CG 4.15Å
1128	H	56.1	Low	65.9	Low	72.6 Å²	72.6	100.5 Å²	100.5	34%	0.336	54%	0.543	S	S	.	.			trans	-85.5	129.7	177.7	-150	-47	0	0	0	109.4	R951 L1126 Q1130 E1131	R951-H1128 PolarHBondContact NH2-CD2 3.27Å; R951-H1128 VanDerWaalsContact NH2-CD2 3.31Å; R951-H1128 PolarHBondContact NH2-CE1 3.21Å; R951-H1128 PolarHBondContact NH2-ND1 3.16Å; R951-H1128 PolarHBondContact NH2-NE2 3.1Å; L1126-H1128 PolarHBondContact O-N 3.08Å; H1128-Q1130 PolarHBondContact CE1-OE1 3.3Å; H1128-Q1130 PolarHBondContact ND1-N 2.88Å; H1128-Q1130 PolarHBondContact ND1-OE1 3.22Å; H1128-Q1130 PolarHBondContact O-N 3.06Å; H1128-E1131 PolarHBondContact O-N 3.26Å; H1128-E1131 VanDerWaalsContact O-N 3.12Å
1129	P	46.5	Very low	63.1	Low	86.4 Å²	86.4	101.3 Å²	101.3	56%	0.561	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-55.2	-24.6	-174	-30.3	36.2	0	0	0	115.7	E1131 L1132 D1133	P1129-E1131 VanDerWaalsContact C-N 3.34Å; P1129-E1131 PolarHBondContact O-N 3.08Å; P1129-E1131 VanDerWaalsContact O-N 3.1Å; P1129-L1132 WeakPolarHBondContact O-CB 3.3Å; P1129-L1132 PolarHBondContact O-N 3.07Å; P1129-L1132 VanDerWaalsContact O-N 3.11Å; P1129-D1133 PolarHBondContact O-N 2.86Å
1130	Q	50.2	Low	60.3	Low	123 Å²	123	98.2 Å²	98.2	58%	0.575	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-71.8	-12.8	179.3	-62	-178.1	-74.4	0	0	114.4	R951 H1128	R951-Q1130 VanDerWaalsContact NH2-OE1 3.13Å; H1128-Q1130 PolarHBondContact CE1-OE1 3.3Å; H1128-Q1130 PolarHBondContact ND1-N 2.88Å; H1128-Q1130 PolarHBondContact ND1-OE1 3.22Å; H1128-Q1130 PolarHBondContact O-N 3.06Å
1131	E	51.2	Low	57.3	Low	129.6 Å²	129.6	100.8 Å²	100.8	61%	0.606	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-90.2	-11.5	174.6	-65.7	-179.8	146.6	0	0	112.6	H1128 P1129 D1133	H1128-E1131 PolarHBondContact O-N 3.26Å; H1128-E1131 VanDerWaalsContact O-N 3.12Å; P1129-E1131 VanDerWaalsContact C-N 3.34Å; P1129-E1131 PolarHBondContact O-N 3.08Å; P1129-E1131 VanDerWaalsContact O-N 3.1Å; E1131-D1133 VanDerWaalsContact C-N 3.31Å; E1131-D1133 PolarHBondContact O-N 3.01Å
1132	L	47.5	Very low	54.3	Low	114.6 Å²	114.6	103.9 Å²	103.9	60%	0.6	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-23.8	176.4	-68.3	169.4	0	0	0	112.7	I1127 P1129 I1134 S1135	I1127-L1132 HydrophobicContact CG2-CD1 4.22Å; I1127-L1132 HydrophobicContact CG2-CD2 4.16Å; I1127-L1132 HydrophobicContact CG2-CG 4.15Å; P1129-L1132 WeakPolarHBondContact O-CB 3.3Å; P1129-L1132 PolarHBondContact O-N 3.07Å; P1129-L1132 VanDerWaalsContact O-N 3.11Å; L1132-I1134 VanDerWaalsContact C-N 3.28Å; L1132-I1134 PolarHBondContact O-N 3.22Å; L1132-S1135 PolarHBondContact O-N 3.02Å; L1132-S1135 PolarHBondContact O-OG 3.41Å
1133	D	38.6	Very low	51.2	Low	119.6 Å²	119.6	100.8 Å²	100.8	64%	0.64	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-81.9	-13.5	-177	-63.3	-34.8	0	0	0	113.3	P1129 E1131 S1135 A1136 D1137	P1129-D1133 PolarHBondContact O-N 2.86Å; E1131-D1133 VanDerWaalsContact C-N 3.31Å; E1131-D1133 PolarHBondContact O-N 3.01Å; D1133-S1135 VanDerWaalsContact C-N 3.3Å; D1133-S1135 PolarHBondContact O-N 3.18Å; D1133-S1135 VanDerWaalsContact O-N 3.12Å; D1133-A1136 PolarHBondContact O-N 3.36Å; D1133-A1136 VanDerWaalsContact O-N 3.12Å; D1133-D1137 PolarHBondContact O-N 3.07Å
1134	I	44.4	Very low	48.3	Very low	142.4 Å²	142.4	106.3 Å²	106.3	73%	0.73	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-93.7	12.2	-179.7	-53	176.4	0	0	0	112.3	L1132	L1132-I1134 VanDerWaalsContact C-N 3.28Å; L1132-I1134 PolarHBondContact O-N 3.22Å
1135	S	37.6	Very low	45.7	Very low	111.6 Å²	111.6	109.2 Å²	109.2	78%	0.78	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-128.2	12.3	171.3	9.4	0	0	0	0	114.3	L1132 D1133	L1132-S1135 PolarHBondContact O-N 3.02Å; L1132-S1135 PolarHBondContact O-OG 3.41Å; D1133-S1135 VanDerWaalsContact C-N 3.3Å; D1133-S1135 PolarHBondContact O-N 3.18Å; D1133-S1135 VanDerWaalsContact O-N 3.12Å
1136	A	39.1	Very low	43.3	Very low	68 Å²	68	112.1 Å²	112.1	56%	0.562	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.5	-19.1	-176.4	0	0	0	0	0	113.6	D1133 S1138 S1139	D1133-A1136 PolarHBondContact O-N 3.36Å; D1133-A1136 VanDerWaalsContact O-N 3.12Å; A1136-S1138 VanDerWaalsContact C-N 3.3Å; A1136-S1138 PolarHBondContact O-N 3.11Å; A1136-S1139 PolarHBondContact O-OG 3.14Å
1137	D	36.6	Very low	41	Very low	152.2 Å²	152.2	114.5 Å²	114.5	81%	0.814	71%	0.714	S	S	*	*	S	Bend	trans	-96.2	36.1	-176.4	-81.7	-12.2	0	0	0	114.9	D1133 S1139	D1133-D1137 PolarHBondContact O-N 3.07Å; D1137-S1139 PolarHBondContact O-N 3.33Å
1138	S	40.5	Very low	39.6	Very low	117.4 Å²	117.4	114.2 Å²	114.2	82%	0.821	72%	0.723	S	S	*	*			trans	-117.9	31.7	170.7	-68.6	0	0	0	0	113.5	A1136	A1136-S1138 VanDerWaalsContact C-N 3.3Å; A1136-S1138 PolarHBondContact O-N 3.11Å
1139	S	36.7	Very low	38.4	Very low	122.4 Å²	122.4	119.4 Å²	119.4	86%	0.856	75%	0.747	S	S	*	*			trans	-129.2	57.3	179.1	-28.1	0	0	0	0	112.2	A1136 D1137	A1136-S1139 PolarHBondContact O-OG 3.14Å; D1137-S1139 PolarHBondContact O-N 3.33Å
1140	G	35.5	Very low	37.7	Very low	78 Å²	78	122.5 Å²	122.5	80%	0.804	76%	0.757	S	S	*	*			trans	-154.2	74.5	-177.1	0	0	0	0	0	114.3	G1142	G1140-G1142 PolarHBondContact O-N 3.45Å
1141	G	32.6	Very low	36.7	Very low	84.8 Å²	84.8	123.2 Å²	123.2	87%	0.874	76%	0.763	S	S	*	*			trans	-168.6	136.4	178	0	0	0	0	0	113.4
1142	G	33.8	Very low	35.8	Very low	80.8 Å²	80.8	124.9 Å²	124.9	83%	0.833	77%	0.771	S	S	*	*			trans	-149.9	130.1	168.6	0	0	0	0	0	110.9	G1140	G1140-G1142 PolarHBondContact O-N 3.45Å
1143	C	30.7	Very low	35.1	Very low	112.6 Å²	112.6	127.1 Å²	127.1	76%	0.761	78%	0.778	S	S	*	*			trans	-87.3	143	178.2	52.4	0	0	0	0	112
1144	D	36.1	Very low	34.7	Very low	144.2 Å²	144.2	128.3 Å²	128.3	77%	0.771	79%	0.785	S	S	*	*			trans	-178.6	126	133.8	-91.9	-31.5	0	0	0	113.1
1145	N	35.8	Very low	34.1	Very low	151 Å²	151	126.5 Å²	126.5	81%	0.807	79%	0.785	S	S	*	*			trans	-56.2	135	160.7	-71.8	-64.3	0	0	0	117.1
1146	S	36.9	Very low	33.6	Very low	108.4 Å²	108.4	127 Å²	127	76%	0.758	79%	0.787	S	S	*	*				179.5	131.3	125.2	1.8	0	0	0	0	116.5
1147	N	30.3	Very low	33.2	Very low	162.4 Å²	162.4	130.7 Å²	130.7	87%	0.868	80%	0.796	S	S	*	*			trans	27.5	100.1	150.1	-66.7	-17.6	0	0	0	119.6
1148	S	34	Very low	32.9	Very low	116.8 Å²	116.8	130.8 Å²	130.8	82%	0.817	80%	0.795	S	S	*	*				-169.2	137.9	125.2	47.6	0	0	0	0	110.4
1149	Q	31.2	Very low	32.4	Very low	182 Å²	182	130.5 Å²	130.5	85%	0.85	79%	0.79	S	S	*	*			trans	-64.9	127.8	146.4	-64.3	179.3	-14.5	0	0	111.6
1150	I	32.1	Very low	32.1	Very low	151.2 Å²	151.2	129.8 Å²	129.8	78%	0.775	79%	0.785	S	S	*	*				-154.6	120.7	115	-71.5	170.3	0	0	0	112.6
1151	I	30.2	Very low	32	Very low	137 Å²	137	135.5 Å²	135.5	70%	0.703	79%	0.788	S	S	*	*			trans	1	123.6	150.7	-55.5	170.3	0	0	0	116.8	Q1153	I1151-Q1153 HydrophobicContact CG2-CG 3.88Å
1152	H	32.2	Very low	31.9	Very low	165.2 Å²	165.2	139.3 Å²	139.3	77%	0.765	79%	0.788	S	S	*	*			trans	-109.7	128.1	145.6	-88.3	-79.1	0	0	0	115.9
1153	Q	31.5	Very low	31.7	Very low	160.8 Å²	160.8	138.7 Å²	138.7	75%	0.751	78%	0.781	S	S	*	*			trans	-121.3	135.4	148.4	-76.5	171.5	4.4	0	0	114.3	I1151	I1151-Q1153 HydrophobicContact CG2-CG 3.88Å
1154	N	31.5	Very low	31.9	Very low	144.8 Å²	144.8	141.2 Å²	141.2	77%	0.774	79%	0.786	S	S	*	*			trans	-176.7	114.7	156.1	-80.2	-12.4	0	0	0	115
1155	S	30.9	Very low	31.5	Very low	105.6 Å²	105.6	139.3 Å²	139.3	74%	0.738	78%	0.784	S	S	*	*			trans	70.8	122	155.1	67	0	0	0	0	114.3	I1157	S1155-I1157 PolarHBondContact O-N 2.97Å
1156	C	28	Very low	31.6	Very low	122 Å²	122	137.4 Å²	137.4	82%	0.824	78%	0.779	S	S	*	*			trans	-109.3	121.1	168.3	-79.3	0	0	0	0	110	I1158	C1156-I1158 PolarHBondContact O-N 3.46Å
1157	I	29.9	Very low	31.4	Very low	145.4 Å²	145.4	138 Å²	138	75%	0.746	78%	0.778	S	S	*	*			trans	-49.3	116.5	148.1	-60.6	174.5	0	0	0	110.8	S1155 P1159	S1155-I1157 PolarHBondContact O-N 2.97Å; I1157-P1159 HydrophobicContact CG2-CB 4.13Å; I1157-P1159 HydrophobicContact CG2-CG 4.42Å; I1157-P1159 VanDerWaalsContact O-CD 3.29Å; I1157-P1159 WeakPolarHBondContact O-CD 3.47Å
1158	I	30.6	Very low	31.4	Very low	155 Å²	155	136 Å²	136	80%	0.795	77%	0.772	S	S	*	*			trans	-73.8	125.9	166	-54.4	172.4	0	0	0	108.4	C1156 S1160	C1156-I1158 PolarHBondContact O-N 3.46Å; I1158-S1160 VanDerWaalsContact C-N 3.32Å; I1158-S1160 PolarHBondContact O-N 2.95Å
1159	P	30.7	Very low	31.2	Very low	110.4 Å²	110.4	141.2 Å²	141.2	72%	0.717	77%	0.774	S	S	*	*			trans	-110.9	111	161	23	-10.1	0	0	0	112.6	I1157 K1161	I1157-P1159 HydrophobicContact CG2-CB 4.13Å; I1157-P1159 HydrophobicContact CG2-CG 4.42Å; I1157-P1159 VanDerWaalsContact O-CD 3.29Å; I1157-P1159 WeakPolarHBondContact O-CD 3.47Å; P1159-K1161 PolarHBondContact O-N 3.17Å
1160	S	29.3	Very low	31.2	Very low	107.2 Å²	107.2	141.7 Å²	141.7	75%	0.75	77%	0.773	S	S	*	*			trans	-54.5	124.8	162.6	-57.6	0	0	0	0	112.4	I1158 N1162	I1158-S1160 VanDerWaalsContact C-N 3.32Å; I1158-S1160 PolarHBondContact O-N 2.95Å; S1160-N1162 PolarHBondContact O-N 3.13Å
1161	K	32.7	Very low	31.3	Very low	198 Å²	198	140.3 Å²	140.3	86%	0.861	77%	0.766	S	S	*	*			trans	-97.7	108.6	165.1	-79.2	178.4	179.8	177.2	0	112	P1159	P1159-K1161 PolarHBondContact O-N 3.17Å
1162	N	31.6	Very low	31.3	Very low	164.2 Å²	164.2	139.8 Å²	139.8	88%	0.878	77%	0.765	S	S	*	*			trans	-61.8	127.6	156.3	-75.2	-9.9	0	0	0	114.3	S1160	S1160-N1162 PolarHBondContact O-N 3.13Å
1163	G	30.6	Very low	31.2	Very low	67.6 Å²	67.6	141.5 Å²	141.5	70%	0.697	77%	0.765	S	S	*	*			trans	-167.3	130.1	161.4	0	0	0	0	0	114.2
1164	I	32.9	Very low	31.2	Very low	167 Å²	167	142.4 Å²	142.4	86%	0.856	77%	0.766	S	S	*	*				105.9	119.7	109.8	-63.9	171.5	0	0	0	113.8
1165	S	29.2	Very low	31.2	Very low	103.4 Å²	103.4	140.6 Å²	140.6	72%	0.723	77%	0.765	S	S	*	*			trans	-84.2	162.9	157.1	-132	0	0	0	0	112.8	T1167	S1165-T1167 PolarHBondContact OG-N 3.28Å
1166	P	37.1	Very low	31.4	Very low	110.8 Å²	110.8	140.6 Å²	140.6	72%	0.719	76%	0.762	S	S	*	*				-128.9	143.1	98.2	35.6	-21.1	0	0	0	115.2
1167	T	32	Very low	31.7	Very low	120.2 Å²	120.2	142.9 Å²	142.9	74%	0.737	76%	0.761	S	S	*	*			trans	69.8	130	131.1	4.6	0	0	0	0	117.1	S1165	S1165-T1167 PolarHBondContact OG-N 3.28Å
1168	V	31.1	Very low	31.8	Very low	122.4 Å²	122.4	142.1 Å²	142.1	74%	0.742	76%	0.758	S	S	*	*				178.6	134.3	108.6	-172.6	0	0	0	0	114.7
1169	R	30.2	Very low	31.9	Very low	224.6 Å²	224.6	142.3 Å²	142.3	85%	0.848	76%	0.755	S	S	*	*			trans	-104.7	132.1	134	-73.5	163.3	-170.5	173.7	2.1	115.3	I1171	R1169-I1171 PolarHBondContact O-N 2.97Å
1170	K	31.3	Very low	31.9	Very low	192.6 Å²	192.6	145.4 Å²	145.4	84%	0.837	76%	0.757	S	S	*	*			trans	-93.7	157.3	146.1	-81.8	176.2	178.6	177.5	0	109.4
1171	I	33.1	Very low	32	Very low	122.6 Å²	122.6	145.6 Å²	145.6	63%	0.629	75%	0.754	S	S	*	*			trans	-138.2	130.6	133.2	-91.2	162.9	0	0	0	110.1	R1169 N1781 N1782 H1783	R1169-I1171 PolarHBondContact O-N 2.97Å; I1171-N1781 HydrophobicContact CD1-CB 4.34Å; I1171-N1781 HydrophobicContact CG1-CB 4.2Å; I1171-N1782 WeakPolarHBondContact CD1-O 3.4Å; I1171-N1782 HydrophobicContact CG2-CB 4.22Å; I1171-N1782 WeakPolarHBondContact CG2-OD1 3.43Å; I1171-H1783 HydrophobicContact CB-CB 3.62Å; I1171-H1783 HydrophobicContact CG2-CB 3.6Å; I1171-H1783 PolarHBondContact N-CD2 3.29Å; I1171-H1783 VanDerWaalsContact N-CD2 3.33Å; I1171-H1783 PolarHBondContact N-CE1 2.99Å; I1171-H1783 PolarHBondContact N-NE2 3.2Å; I1171-H1783 VanDerWaalsContact N-NE2 3.16Å; I1171-H1783 PolarHBondContact O-CD2 2.64Å
1172	N	30.6	Very low	32	Very low	125 Å²	125	144.4 Å²	144.4	67%	0.668	75%	0.752	S	S	*	*			trans	-31.8	152.3	162.1	-68.7	-18.3	0	0	0	115.2	N1782	N1172-N1782 PolarHBondContact ND2-OD1 3.39Å
1173	R	31.2	Very low	31.9	Very low	202.8 Å²	202.8	140.9 Å²	140.9	77%	0.765	74%	0.74	S	S	*	*			cis	-154.1	146.6	49.9	-118.6	172.9	-161.7	-179.2	-0.9	111.3
1174	F	31.7	Very low	32	Very low	179.6 Å²	179.6	146.6 Å²	146.6	79%	0.788	75%	0.749	S	S	*	*			trans	82.3	151.3	145.8	-83.3	-54.7	0	0	0	117
1175	S	30.5	Very low	31.9	Very low	105.4 Å²	105.4	142.7 Å²	142.7	74%	0.737	74%	0.742	S	S	*	*			trans	-123.3	-179.9	174.5	-112.5	0	0	0	0	108.5	Q1177	S1175-Q1177 PolarHBondContact OG-N 3.37Å
1176	P	36.1	Very low	32.1	Very low	105.8 Å²	105.8	144.3 Å²	144.3	69%	0.687	74%	0.742	S	S	*	*			cis	-132.3	169.2	21.1	40.5	-25.6	0	0	0	116.5
1177	Q	34.2	Very low	31.8	Very low	171.2 Å²	171.2	147.4 Å²	147.4	80%	0.8	74%	0.744	S	S	*	*			trans	70.8	143	143.7	-75.8	179.3	21.7	0	0	120.4	S1175	S1175-Q1177 PolarHBondContact OG-N 3.37Å
1178	N	30.7	Very low	31.7	Very low	127.8 Å²	127.8	147.8 Å²	147.8	68%	0.683	75%	0.746	S	S	*	*				161.8	149.7	114.3	-86.3	-24.8	0	0	0	115.6
1179	H	33.8	Very low	31.5	Very low	158.8 Å²	158.8	148.7 Å²	148.7	74%	0.735	75%	0.746	S	S	*	*				-178.4	152.8	121.6	-94.2	-45.7	0	0	0	115.3
1180	K	30.8	Very low	31.5	Very low	176 Å²	176	144.5 Å²	144.5	77%	0.765	74%	0.739	S	S	*	*			trans	-118.2	164.5	155.9	-76.3	174.9	179.7	166.5	0	113.6
1181	T	30.4	Very low	31.4	Very low	111.8 Å²	111.8	141.5 Å²	141.5	69%	0.686	73%	0.732	S	S	*	*				-163.7	154.7	63	16.6	0	0	0	0	113.7
1182	Q	32.1	Very low	31.4	Very low	173 Å²	173	145.1 Å²	145.1	81%	0.808	74%	0.738	S	S	*	*				70	137.3	122	-109.7	168.5	-29.5	0	0	118.9
1183	S	30.7	Very low	31.5	Very low	90 Å²	90	145 Å²	145	63%	0.629	73%	0.733	S	S	*	*			cis	164	147.2	2.2	55.1	0	0	0	0	113.6
1184	Q	32.4	Very low	31.4	Very low	188.6 Å²	188.6	141.1 Å²	141.1	88%	0.881	73%	0.727	S	S	*	*			trans	63.6	150.2	147.8	-69.5	178.2	-26.2	0	0	117.3
1185	A	30.9	Very low	31.4	Very low	85 Å²	85	139 Å²	139	70%	0.702	72%	0.724	S	S	*	*			cis	-179	144.4	-21.2	0	0	0	0	0	110.8
1186	D	32.2	Very low	31.3	Very low	135.6 Å²	135.6	142.7 Å²	142.7	73%	0.725	73%	0.727	S	S	*	*			trans	170.1	158.4	133.3	-106.6	-15.3	0	0	0	117.8
1187	K	32.7	Very low	31.1	Very low	175.8 Å²	175.8	142.7 Å²	142.7	76%	0.764	73%	0.725	S	S	*	*			trans	-55.3	157.7	157.1	-70.4	163.2	-169.1	132.4	0	117.7
1188	V	29.1	Very low	30.9	Very low	130.2 Å²	130.2	143.5 Å²	143.5	79%	0.789	73%	0.726	S	S	*	*				107.2	145.5	121.9	178.4	0	0	0	0	114.6
1189	L	27.4	Very low	30.8	Very low	140 Å²	140	142.3 Å²	142.3	73%	0.733	73%	0.728	S	S	*	*			trans	-175.7	155.3	-179.5	-119.9	77.3	0	0	0	112
1190	I	29.9	Very low	30.6	Very low	137.2 Å²	137.2	142 Å²	142	70%	0.704	73%	0.731	S	S	*	*				92	135.6	115.4	-60.9	174.6	0	0	0	115.5
1191	N	28.6	Very low	30.7	Very low	128.8 Å²	128.8	141.5 Å²	141.5	69%	0.689	73%	0.731	S	S	*	*				75.1	149.3	109.8	-79.8	-19.8	0	0	0	115.2
1192	R	32.4	Very low	30.7	Very low	199 Å²	199	141.7 Å²	141.7	75%	0.751	73%	0.732	S	S	*	*			cis	-159.1	157.5	14.9	-118.3	-179.8	125	133.4	7.2	108.6
1193	E	32.6	Very low	30.7	Very low	123.4 Å²	123.4	137.6 Å²	137.6	58%	0.577	73%	0.728	S	S	*	*				90.1	150.5	84.6	-87.8	-178.6	160.1	0	0	115.1
1194	N	30.3	Very low	31.1	Very low	119.6 Å²	119.6	139.2 Å²	139.2	64%	0.64	74%	0.736	S	S	*	*			cis	166.2	147.4	22.4	-97.7	-19	0	0	0	112.5
1195	N	31.7	Very low	30.9	Very low	136 Å²	136	141.3 Å²	141.3	73%	0.727	74%	0.736	S	S	*	*				119.3	141	96.9	-90	-23.7	0	0	0	116.1
1196	F	29	Very low	30.9	Very low	182.4 Å²	182.4	146.4 Å²	146.4	80%	0.8	74%	0.743	S	S	*	*			trans	153.8	132.2	145.3	-107.3	-119.1	0	0	0	114.7	K1198	F1196-K1198 PolarHBondContact O-N 3.35Å
1197	V	30.1	Very low	30.7	Very low	105.6 Å²	105.6	151.1 Å²	151.1	64%	0.64	75%	0.75	S	S	*	*			cis	155.5	127.9	35.2	145.7	0	0	0	0	112.3
1198	K	30.1	Very low	30.5	Very low	189.2 Å²	189.2	147.2 Å²	147.2	82%	0.823	75%	0.745	S	S	*	*			trans	95.6	116.4	147.6	-84.2	165.8	-178.6	176.6	0	113.1	F1196	F1196-K1198 PolarHBondContact O-N 3.35Å
1199	S	29.5	Very low	30.6	Very low	102 Å²	102	148.2 Å²	148.2	71%	0.713	75%	0.746	S	S	*	*				150.8	129.7	75.9	-71.8	0	0	0	0	110.3
1200	L	29.5	Very low	30.6	Very low	152.4 Å²	152.4	152.5 Å²	152.5	80%	0.798	75%	0.752	S	S	*	*				167.4	129.4	58.8	-149.4	71.3	0	0	0	110.2
1201	E	32.1	Very low	30.6	Very low	166.8 Å²	166.8	150.4 Å²	150.4	78%	0.779	75%	0.75	S	S	*	*				-127	136.3	58.6	-84.8	-178.5	158.4	0	0	113.8
1202	T	30.5	Very low	30.6	Very low	115 Å²	115	150.1 Å²	150.1	71%	0.706	75%	0.753	S	S	*	*				50.4	127.6	125.6	40.1	0	0	0	0	117.2
1203	A	33.6	Very low	30.4	Very low	87.8 Å²	87.8	145.9 Å²	145.9	73%	0.726	75%	0.752	S	S	*	*				-164.9	163	101.2	0	0	0	0	0	113.1	R1205	A1203-R1205 PolarHBondContact O-N 3.43Å
1204	P	38.3	Very low	30.2	Very low	123 Å²	123	146.7 Å²	146.7	80%	0.799	76%	0.761	S	S	*	*			trans	-115	155	166.3	34.4	-23	0	0	0	113.6
1205	R	28.6	Very low	30.2	Very low	233.4 Å²	233.4	146.8 Å²	146.8	88%	0.881	76%	0.761	S	S	*	*			trans	-134.4	139.2	153.3	-86.1	166.6	172.4	-177.6	-1.6	113.5	A1203 R1207	A1203-R1205 PolarHBondContact O-N 3.43Å; R1205-R1207 PolarHBondContact O-N 3.16Å
1206	K	29.9	Very low	30.2	Very low	192.2 Å²	192.2	150.4 Å²	150.4	84%	0.836	77%	0.765	S	S	*	*			trans	29.9	137.3	132.3	-72.1	176.7	-178.9	179.9	0	114.5
1207	R	28.8	Very low	30.2	Very low	232.4 Å²	232.4	148.2 Å²	148.2	88%	0.877	76%	0.761	S	S	*	*				-174.7	142.6	108.4	-107.1	173.3	179.2	157.5	-2	111.4	R1205	R1205-R1207 PolarHBondContact O-N 3.16Å
1208	S	29.4	Very low	30.2	Very low	95.8 Å²	95.8	150.4 Å²	150.4	67%	0.67	77%	0.769	S	S	*	*				46	121.2	103.8	-167.9	0	0	0	0	116.4
1209	L	29.6	Very low	30.2	Very low	151.2 Å²	151.2	145.5 Å²	145.5	79%	0.792	76%	0.758	S	S	*	*				72.6	116.4	124.4	-70.4	173.7	0	0	0	118.4
1210	R	28.1	Very low	30.1	Very low	228.4 Å²	228.4	147 Å²	147	86%	0.862	76%	0.758	S	S	*	*			trans	49.9	130.6	133.2	-87.4	-176.1	177.2	-172.6	-1.4	118.5
1211	S	29.7	Very low	30	Very low	94.8 Å²	94.8	146.6 Å²	146.6	66%	0.663	76%	0.756	S	S	*	*				91.2	129.9	92.5	58.1	0	0	0	0	115.6
1212	T	28.4	Very low	29.9	Very low	121.8 Å²	121.8	143.2 Å²	143.2	75%	0.747	75%	0.75	S	S	*	*				26.5	148.8	96.4	33.1	0	0	0	0	115.1
1213	C	28.4	Very low	29.8	Very low	109.8 Å²	109.8	143.3 Å²	143.3	74%	0.742	75%	0.75	S	S	*	*			trans	-66.7	141.7	157	39.6	0	0	0	0	115
1214	N	29.8	Very low	29.6	Very low	141.6 Å²	141.6	144.6 Å²	144.6	76%	0.757	75%	0.749	S	S	*	*				-118.1	161.7	93	-93.9	-27.3	0	0	0	112.5
1215	N	30.1	Very low	29.1	Very low	122 Å²	122	145.2 Å²	145.2	65%	0.652	75%	0.746	S	S	*	*				92.6	133.4	124.1	-112.5	-11.9	0	0	0	115.1
1216	R	30.3	Very low	29.3	Very low	210.2 Å²	210.2	139.2 Å²	139.2	79%	0.793	74%	0.735	S	S	*	*			trans	114.4	129.9	149.8	-78.7	179.6	-175.3	171.5	1	113.4
1217	N	29	Very low	29.4	Very low	136.6 Å²	136.6	136.5 Å²	136.5	73%	0.73	73%	0.73	S	S	*	*			trans	70.5	149.1	134.6	-67	3.7	0	0	0	115.9
1218	L	30.6	Very low	29.6	Very low	152.2 Å²	152.2	131.8 Å²	131.8	80%	0.797	72%	0.722	S	S	*	*			trans	135.6	137.6	163.1	-105	108.8	0	0	0	111.1
1219	S	29.1	Very low	29.7	Very low	86.4 Å²	86.4	133.8 Å²	133.8	60%	0.604	73%	0.725	S	S	*	*				101.8	143.7	96.3	52.3	0	0	0	0	115
1220	N	28.2	Very low	29.9	Very low	133.4 Å²	133.4	131.7 Å²	131.7	71%	0.713	72%	0.723	S	S	*	*			trans	92.2	138.9	140.4	-73	-7.1	0	0	0	116.8
1221	I	28.5	Very low	30.2	Very low	144.4 Å²	144.4	124.7 Å²	124.7	74%	0.741	71%	0.714	S	S	*	*			trans	74.5	104.6	141.2	-62.8	168.4	0	0	0	115
1222	S	28.2	Very low	30.3	Very low	94 Å²	94	126.5 Å²	126.5	66%	0.657	72%	0.717	S	S	*	*				90.4	157.6	101.1	65.2	0	0	0	0	115.4
1223	T	29.2	Very low	30.5	Very low	117.2 Å²	117.2	128.6 Å²	128.6	72%	0.719	72%	0.717	S	S	*	*			trans	79.7	142.9	136.7	35.2	0	0	0	0	116.5
1224	V	29.6	Very low	30.7	Very low	115.4 Å²	115.4	128 Å²	128	70%	0.699	72%	0.715	S	S	*	*				114.1	131.4	94.8	160.2	0	0	0	0	114.8
1225	N	28.5	Very low	30.7	Very low	137 Å²	137	128.8 Å²	128.8	73%	0.733	72%	0.718	S	S	*	*				113.8	153.9	126.1	-87.2	6.4	0	0	0	117.7
1226	T	31.6	Very low	30.7	Very low	105.6 Å²	105.6	127.2 Å²	127.2	65%	0.648	72%	0.717	S	S	*	*			trans	59.4	125.9	148.5	51.6	0	0	0	0	118.5
1227	D	31.4	Very low	30.7	Very low	136 Å²	136	123.7 Å²	123.7	73%	0.727	71%	0.714	S	S	*	*				123.7	158.9	86.7	-73.8	-28.2	0	0	0	119.6
1228	D	33.7	Very low	30.8	Very low	134 Å²	134	127.3 Å²	127.3	72%	0.717	72%	0.717	S	S	*	*			trans	77.8	119.6	154.5	-72.7	-24	0	0	0	122.4
1229	N	31.8	Very low	30.8	Very low	137.6 Å²	137.6	126.9 Å²	126.9	74%	0.736	71%	0.714	S	S	*	*				67.7	125.6	99	-64.4	-49.8	0	0	0	117.2
1230	S	32.8	Very low	30.9	Very low	107.2 Å²	107.2	126.9 Å²	126.9	75%	0.75	71%	0.714	S	S	*	*			cis	174.5	164.1	45.6	56.7	0	0	0	0	115.1
1231	A	35.7	Very low	31.1	Very low	80.6 Å²	80.6	127.2 Å²	127.2	67%	0.666	72%	0.716	S	S	*	*			trans	72.9	121	144.7	0	0	0	0	0	120.9
1232	N	31.5	Very low	31.2	Very low	134.4 Å²	134.4	126.9 Å²	126.9	72%	0.719	72%	0.716	S	S	*	*				107.8	141	78.2	-92.4	-27.4	0	0	0	118.3
1233	Q	33.1	Very low	31.4	Very low	164 Å²	164	128.7 Å²	128.7	77%	0.766	72%	0.723	S	S	*	*				62	136.4	129.6	-72.7	168.8	35.6	0	0	116.3
1234	S	30.9	Very low	31.5	Very low	97.2 Å²	97.2	129.4 Å²	129.4	68%	0.68	72%	0.721	S	S	*	*			cis	153	150.1	30.8	65.1	0	0	0	0	111.3
1235	L	30.5	Very low	31.6	Very low	159.2 Å²	159.2	130.4 Å²	130.4	83%	0.834	72%	0.722	S	S	*	*			trans	109.9	139.5	136.2	-68.8	164.5	0	0	0	112.1
1236	S	30.4	Very low	31.6	Very low	89.2 Å²	89.2	130.8 Å²	130.8	62%	0.624	72%	0.724	S	S	*	*			cis	174.6	156.2	29.1	47.1	0	0	0	0	113.3
1237	N	29.1	Very low	31.7	Very low	136.2 Å²	136.2	128.9 Å²	128.9	73%	0.728	73%	0.725	S	S	*	*			trans	68.8	150.1	154	-71.7	-44.9	0	0	0	116.2
1238	R	31.3	Very low	31.8	Very low	212.2 Å²	212.2	128.5 Å²	128.5	80%	0.801	73%	0.728	S	S	*	*			cis	178.8	150.8	25.1	-102.3	173.3	-167.8	-155.1	1.4	112.3
1239	I	32.3	Very low	31.7	Very low	143.6 Å²	143.6	128.6 Å²	128.6	74%	0.736	73%	0.729	S	S	*	*				71.8	131.5	121	-80.9	168.9	0	0	0	115.5
1240	S	31.2	Very low	31.8	Very low	87.4 Å²	87.4	128.7 Å²	128.7	61%	0.611	73%	0.728	S	S	*	*			cis	144.7	144.5	20.9	-90.6	0	0	0	0	115.9
1241	N	31.3	Very low	31.8	Very low	139.6 Å²	139.6	129.2 Å²	129.2	75%	0.747	72%	0.722	S	S	*	*			trans	75.6	139.8	132.4	-67.2	-4	0	0	0	118.2
1242	N	30.1	Very low	31.5	Very low	136.6 Å²	136.6	133.3 Å²	133.3	73%	0.73	73%	0.725	S	S	*	*				122.2	149.5	78.7	-73.5	-12.3	0	0	0	113.8	I1244	N1242-I1244 HydrophobicContact CB-CD1 4.01Å; N1242-I1244 HydrophobicContact CB-CG1 4.4Å
1243	V	32.4	Very low	31.5	Very low	133.4 Å²	133.4	136.2 Å²	136.2	81%	0.808	73%	0.726	S	S	*	*			trans	169.3	128.9	151.3	170.6	0	0	0	0	110.1
1244	I	31.6	Very low	31.4	Very low	131.8 Å²	131.8	135.6 Å²	135.6	68%	0.676	72%	0.723	S	S	*	*				86	122.5	124	-57.6	170.7	0	0	0	114.5	N1242	N1242-I1244 HydrophobicContact CB-CD1 4.01Å; N1242-I1244 HydrophobicContact CB-CG1 4.4Å
1245	D	31.4	Very low	31.4	Very low	136 Å²	136	141.2 Å²	141.2	73%	0.727	73%	0.729	S	S	*	*				153.5	150.2	129.4	-95.6	-9.3	0	0	0	114.9
1246	N	30.4	Very low	31.3	Very low	145.2 Å²	145.2	141 Å²	141	78%	0.776	73%	0.729	S	S	*	*			cis	-165.8	166.8	17	-103.6	-58.8	0	0	0	112.1
1247	G	33	Very low	31.2	Very low	65.4 Å²	65.4	147.4 Å²	147.4	67%	0.674	74%	0.739	S	S	*	*			trans	119.5	113.5	165.6	0	0	0	0	0	115.9
1248	T	34.2	Very low	31.3	Very low	128.6 Å²	128.6	146 Å²	146	79%	0.789	74%	0.74	S	S	*	*				-105.8	139.5	96.1	45.2	0	0	0	0	111.2
1249	D	30.1	Very low	31.6	Very low	135.4 Å²	135.4	141.6 Å²	141.6	72%	0.724	74%	0.739	S	S	*	*			cis	158.9	173	30.6	-115.3	-47.1	0	0	0	113.1	N1251	D1249-N1251 PolarHBondContact OD1-ND2 3.44Å
1250	I	34.7	Very low	31.6	Very low	140.2 Å²	140.2	140.5 Å²	140.5	72%	0.719	74%	0.741	S	S	*	*				175.5	125.6	129.5	-69.3	156.6	0	0	0	111.4
1251	N	31.7	Very low	31.5	Very low	118 Å²	118	141.5 Å²	141.5	63%	0.631	75%	0.748	S	S	*	*			trans	36.4	142.4	144.1	-57.7	-55.1	0	0	0	120	D1249	D1249-N1251 PolarHBondContact OD1-ND2 3.44Å
1252	F	30.4	Very low	31.6	Very low	165.8 Å²	165.8	139.9 Å²	139.9	73%	0.727	75%	0.748	S	S	*	*			cis	-153.7	141.4	35.5	-108.1	-96.4	0	0	0	113.3
1253	R	30.6	Very low	31.6	Very low	196 Å²	196	138.7 Å²	138.7	74%	0.74	75%	0.745	S	S	*	*				105.1	144.1	97	-103	-179.8	-178	-167.8	3.6	115.9
1254	Q	31.5	Very low	31.6	Very low	151 Å²	151	140.2 Å²	140.2	71%	0.706	74%	0.743	S	S	*	*			trans	0.1	147	145.5	-73.6	169.8	-4.1	0	0	112.3
1255	R	30.9	Very low	31.5	Very low	213.8 Å²	213.8	138.8 Å²	138.8	81%	0.807	75%	0.745	S	S	*	*			cis	-155.7	142.3	44	-110.2	173	-156.8	-157.4	0.8	109.8
1256	L	28.8	Very low	31.5	Very low	156 Å²	156	138.9 Å²	138.9	82%	0.817	75%	0.745	S	S	*	*				14.8	144.4	123.1	-65.4	168.6	0	0	0	113.8
1257	R	29	Very low	31.6	Very low	223.2 Å²	223.2	137.2 Å²	137.2	84%	0.842	74%	0.736	S	S	*	*			trans	160.9	138.9	134.7	-115	-176.8	-173.2	-165.9	1.2	114.4	P1259	R1257-P1259 WeakPolarHBondContact O-CD 3.48Å
1258	S	31.2	Very low	31.7	Very low	106.2 Å²	106.2	141.2 Å²	141.2	74%	0.743	74%	0.735	S	S	*	*			trans	9.7	140.1	155.1	13	0	0	0	0	115.4
1259	P	36.6	Very low	31.6	Very low	120.6 Å²	120.6	141.3 Å²	141.3	78%	0.783	73%	0.73	S	S	*	*			trans	-106.1	157.5	156.5	32	-23.5	0	0	0	112.9	R1257	R1257-P1259 WeakPolarHBondContact O-CD 3.48Å
1260	P	33.5	Very low	31.8	Very low	119.6 Å²	119.6	140 Å²	140	78%	0.777	72%	0.724	S	S	*	*			trans	-109.4	161.4	159.4	37.8	-31	0	0	0	113.8
1261	S	29	Very low	31.7	Very low	109.6 Å²	109.6	140.1 Å²	140.1	77%	0.766	72%	0.721	S	S	*	*			trans	-59.9	138.3	160.1	54.9	0	0	0	0	114.5	T1263	S1261-T1263 PolarHBondContact O-N 3.16Å
1262	S	31.7	Very low	31.6	Very low	105.6 Å²	105.6	141.5 Å²	141.5	74%	0.738	72%	0.724	S	S	*	*				-179.4	135.3	120.4	52.2	0	0	0	0	112.6
1263	T	30	Very low	31.8	Very low	110.6 Å²	110.6	140.7 Å²	140.7	68%	0.679	73%	0.726	S	S	*	*			trans	-118.5	148.1	149.6	44.4	0	0	0	0	115.6	S1261 P1542	S1261-T1263 PolarHBondContact O-N 3.16Å; T1263-P1542 HydrophobicContact CG2-CB 4.42Å; T1263-P1542 HydrophobicContact CG2-CG 4.32Å
1264	H	32.7	Very low	31.7	Very low	165 Å²	165	136.3 Å²	136.3	76%	0.764	73%	0.725	S	S	*	*			trans	-104.9	125.4	146.1	-93.2	-81.2	0	0	0	114.2	P1542	H1264-P1542 VanDerWaalsContact CE1-CD 3.41Å; H1264-P1542 WeakPolarHBondContact CE1-CD 3.43Å; H1264-P1542 PolarHBondContact CE1-O 3.2Å; H1264-P1542 WeakPolarHBondContact ND1-CD 3.25Å; H1264-P1542 WeakPolarHBondContact ND1-CG 3.45Å; H1264-P1542 PolarHBondContact NE2-O 2.97Å; H1264-P1542 VanDerWaalsContact NE2-O 3.08Å
1265	S	29.2	Very low	31.9	Very low	103.6 Å²	103.6	134.4 Å²	134.4	72%	0.724	73%	0.725	S	S	*	*			trans	-149.5	144.4	136.8	-163.2	0	0	0	0	110.7
1266	L	31.9	Very low	31.7	Very low	137.2 Å²	137.2	131.5 Å²	131.5	72%	0.718	73%	0.725	S	S	*	*			trans	-170.8	135.8	169.9	-87.6	166.4	0	0	0	111	E1540 C1541	L1266-E1540 HydrophobicContact CD2-CB 3.65Å; L1266-E1540 HydrophobicContact CD2-CG 3.32Å; L1266-E1540 WeakPolarHBondContact CD2-OE1 3.48Å; L1266-C1541 HydrophobicContact CD2-CB 3.55Å; L1266-C1541 HydrophobicContact CG-CB 4.21Å
1267	D	32.5	Very low	31.8	Very low	109.6 Å²	109.6	129.7 Å²	129.7	59%	0.586	72%	0.721	S	S	*	*				115.2	140.4	107.8	-107.8	17.7	0	0	0	117.9	E1540	D1267-E1540 VanDerWaalsContact C-OE1 3.24Å; D1267-E1540 WeakPolarHBondContact CA-OE1 3.23Å; D1267-E1540 PolarHBondContact N-OE1 3.06Å
1268	K	36.1	Very low	31.8	Very low	149.8 Å²	149.8	124.8 Å²	124.8	65%	0.651	72%	0.716	S	S	*	*			trans	90.8	116.3	140.2	-81.9	162.4	-174	105.4	0	119.5	E1540	K1268-E1540 WeakPolarHBondContact CA-OE1 3.29Å; K1268-E1540 VanDerWaalsContact CG-OE2 3.24Å; K1268-E1540 WeakPolarHBondContact CG-OE2 3.12Å; K1268-E1540 PolarHBondContact N-OE1 2.92Å; K1268-E1540 IonicContact NZ-OE2 2.81Å; K1268-E1540 PolarHBondContact NZ-OE2 3.33Å
1269	N	32.4	Very low	32	Very low	130.4 Å²	130.4	125.1 Å²	125.1	70%	0.697	72%	0.715	S	S	*	*				84.1	133.1	115.7	-67.7	6	0	0	0	119.2	E1539	N1269-E1539 WeakPolarHBondContact CA-OE2 3.29Å; N1269-E1539 PolarHBondContact N-OE2 2.95Å
1270	N	32.4	Very low	31.6	Very low	109.2 Å²	109.2	124.1 Å²	124.1	58%	0.584	71%	0.711	S	S	*	*				114.3	139	101	-98.1	34.1	0	0	0	115.9	D1538	N1270-D1538 PolarHBondContact ND2-OD1 3.1Å; N1270-D1538 PolarHBondContact OD1-OD1 3Å
1271	E	32.4	Very low	31.5	Very low	140.6 Å²	140.6	127.2 Å²	127.2	66%	0.657	72%	0.715	S	S	*	*				103.1	126.9	108.3	-82.5	-168	137.6	0	0	117.8
1272	Q	31.1	Very low	31.6	Very low	148.6 Å²	148.6	126.9 Å²	126.9	69%	0.694	71%	0.713	S	S	*	*				92.4	155.9	119.2	-83.7	-170	60.2	0	0	120
1273	I	33.4	Very low	31.5	Very low	149.4 Å²	149.4	128.8 Å²	128.8	77%	0.766	71%	0.713	S	S	*	*			trans	77.1	124.1	163.5	-58.4	152.5	0	0	0	116.3
1274	S	28.7	Very low	31.5	Very low	103.6 Å²	103.6	132.1 Å²	132.1	72%	0.724	72%	0.719	S	S	*	*			trans	-101.6	179.5	165.8	-46.6	0	0	0	0	111.3
1275	P	36.5	Very low	31.3	Very low	110.2 Å²	110.2	129.4 Å²	129.4	72%	0.716	71%	0.714	S	S	*	*			trans	-125.8	179.5	-130.3	35.7	-19.8	0	0	0	114.6
1276	L	26.6	Very low	31.4	Very low	152 Å²	152	133.5 Å²	133.5	80%	0.796	72%	0.715	S	S	*	*			trans	89.1	141.5	157.5	-119.4	67.8	0	0	0	117.2	T1278	L1276-T1278 HydrophobicContact CD1-CG2 4.09Å; L1276-T1278 HydrophobicContact CG-CG2 4.25Å
1277	T	30.9	Very low	31.4	Very low	119.6 Å²	119.6	134.2 Å²	134.2	73%	0.734	72%	0.715	S	S	*	*				163	134.8	104.9	16.9	0	0	0	0	114.5
1278	T	28.7	Very low	31.2	Very low	120.2 Å²	120.2	133.5 Å²	133.5	74%	0.737	72%	0.718	S	S	*	*				-11.3	159.9	123	63	0	0	0	0	113.9	L1276	L1276-T1278 HydrophobicContact CD1-CG2 4.09Å; L1276-T1278 HydrophobicContact CG-CG2 4.25Å
1279	P	35.8	Very low	30.9	Very low	112.2 Å²	112.2	131.5 Å²	131.5	73%	0.729	72%	0.723	S	S	*	*			cis	-135.7	177.6	26.2	39.9	-23.5	0	0	0	114.6
1280	S	28.4	Very low	30.9	Very low	99 Å²	99	130.8 Å²	130.8	69%	0.692	73%	0.729	S	S	*	*			trans	60.3	125.1	132.7	60.9	0	0	0	0	117.6
1281	E	30.1	Very low	30.8	Very low	184.2 Å²	184.2	136.7 Å²	136.7	86%	0.861	74%	0.743	S	S	*	*				101.8	152.6	110.2	-70.2	-170.9	161.6	0	0	115.2
1282	S	30.8	Very low	30.8	Very low	103.8 Å²	103.8	137.2 Å²	137.2	73%	0.726	75%	0.745	S	S	*	*				-144.7	147.9	104.7	50.7	0	0	0	0	113.5
1283	I	30.1	Very low	30.7	Very low	145.4 Å²	145.4	138.6 Å²	138.6	75%	0.746	75%	0.749	S	S	*	*			trans	70.8	132.7	133.7	-66.2	171.4	0	0	0	116.6
1284	F	30.4	Very low	30.6	Very low	181.2 Å²	181.2	138.7 Å²	138.7	80%	0.795	75%	0.746	S	S	*	*			trans	-81.3	145.2	140.3	-94.2	-95.8	0	0	0	116.3
1285	T	29.6	Very low	30.7	Very low	107 Å²	107	139.6 Å²	139.6	66%	0.656	74%	0.742	S	S	*	*			trans	165.2	156.3	133.1	45	0	0	0	0	116.5
1286	Y	31	Very low	30.5	Very low	189.4 Å²	189.4	140.1 Å²	140.1	74%	0.743	74%	0.744	S	S	*	*			trans	76.6	131	150.7	-75.3	-85.9	0	0	0	117.6
1287	Q	30.5	Very low	30.7	Very low	153 Å²	153	139.8 Å²	139.8	72%	0.715	74%	0.742	S	S	*	*			cis	113.8	134.7	47.4	-97.4	178.9	5.9	0	0	113.3
1288	S	28.8	Very low	30.7	Very low	95.6 Å²	95.6	139.9 Å²	139.9	67%	0.669	74%	0.742	S	S	*	*				76.6	126.1	107.8	-27.8	0	0	0	0	116.9
1289	S	31.1	Very low	30.7	Very low	107.8 Å²	107.8	140.4 Å²	140.4	75%	0.754	74%	0.74	S	S	*	*				148.9	140.7	97.9	-23	0	0	0	0	115.3	R1291	S1289-R1291 PolarHBondContact O-N 3.49Å
1290	S	30.5	Very low	30.4	Very low	115.8 Å²	115.8	140.5 Å²	140.5	81%	0.81	74%	0.739	S	S	*	*				76.6	124.2	121.6	-98	0	0	0	0	115.4
1291	R	31.3	Very low	30.5	Very low	232.8 Å²	232.8	141.5 Å²	141.5	88%	0.878	74%	0.741	S	S	*	*			trans	156.8	134.3	158	-84.5	178.5	179.7	-155.2	-1	112.7	S1289 K1293	S1289-R1291 PolarHBondContact O-N 3.49Å; R1291-K1293 PolarHBondContact O-N 3.4Å
1292	Q	31.5	Very low	30.5	Very low	150.8 Å²	150.8	142.3 Å²	142.3	71%	0.705	74%	0.736	S	S	*	*				-142.2	142.1	116.7	-86.6	179.3	-18.9	0	0	114.5
1293	K	30.1	Very low	30.5	Very low	177 Å²	177	145.7 Å²	145.7	77%	0.77	74%	0.74	S	S	*	*			trans	106.4	131.8	147.6	-73.7	179	179.4	-176.1	0	116.4	R1291	R1291-K1293 PolarHBondContact O-N 3.4Å
1294	H	32.1	Very low	30.6	Very low	152 Å²	152	142.1 Å²	142.1	70%	0.704	74%	0.739	S	S	*	*				98.6	151.9	129.6	-98.8	-93.3	0	0	0	113.6
1295	D	30.3	Very low	30.7	Very low	122.2 Å²	122.2	138.6 Å²	138.6	65%	0.653	74%	0.737	S	S	*	*				-159.7	167.4	122.9	-73	-45.2	0	0	0	117.2
1296	T	31.1	Very low	30.9	Very low	121.4 Å²	121.4	139.5 Å²	139.5	75%	0.745	74%	0.743	S	S	*	*			trans	159.3	138.9	148.8	-24.5	0	0	0	0	114.4
1297	L	30.7	Very low	30.9	Very low	144.8 Å²	144.8	137.1 Å²	137.1	76%	0.758	74%	0.743	S	S	*	*			trans	-4.8	134.4	161.1	-93	100.3	0	0	0	114.9	N1299	L1297-N1299 WeakPolarHBondContact CD2-O 3.32Å
1298	V	31.8	Very low	31	Very low	122 Å²	122	135.1 Å²	135.1	74%	0.739	74%	0.74	S	S	*	*				-153.4	134.7	79.3	168.6	0	0	0	0	110.2
1299	N	28.1	Very low	31.3	Very low	130 Å²	130	139.3 Å²	139.3	70%	0.695	75%	0.747	S	S	*	*			trans	74.2	142.6	148.3	-87.2	-21.1	0	0	0	116.6	L1297	L1297-N1299 WeakPolarHBondContact CD2-O 3.32Å
1300	T	30.6	Very low	31.2	Very low	115.6 Å²	115.6	138.6 Å²	138.6	71%	0.709	74%	0.742	S	S	*	*				70.3	139.5	103.2	39.7	0	0	0	0	118.6	R1302	T1300-R1302 PolarHBondContact O-N 3.45Å
1301	T	30.1	Very low	31.4	Very low	119 Å²	119	140.4 Å²	140.4	73%	0.73	74%	0.741	S	S	*	*				162.5	141.5	128.9	17.2	0	0	0	0	114.5
1302	R	29.9	Very low	31.3	Very low	202.6 Å²	202.6	135.9 Å²	135.9	77%	0.765	73%	0.734	S	S	*	*			trans	100.1	119.3	148.8	-80	-176.4	173.7	-170.9	-0.8	117	T1300 G1304 S1471	T1300-R1302 PolarHBondContact O-N 3.45Å; R1302-G1304 VanDerWaalsContact C-N 3.29Å; R1302-G1304 PolarHBondContact O-N 2.9Å; R1302-S1471 PolarHBondContact NH1-OG 3.26Å
1303	H	31.2	Very low	31.1	Very low	174 Å²	174	134 Å²	134	81%	0.806	74%	0.736	S	S	*	*				75.8	132.6	112.1	-68.9	-57.4	0	0	0	112.8
1304	G	32.4	Very low	31.2	Very low	70.2 Å²	70.2	130.9 Å²	130.9	72%	0.724	74%	0.737	S	S	*	*			trans	-167.8	144.4	155.1	0	0	0	0	0	112.5	R1302	R1302-G1304 VanDerWaalsContact C-N 3.29Å; R1302-G1304 PolarHBondContact O-N 2.9Å
1305	S	31.5	Very low	31.4	Very low	107.4 Å²	107.4	129 Å²	129	75%	0.751	74%	0.738	S	S	*	*			trans	17.1	145.3	163.8	-92.2	0	0	0	0	116.7
1306	T	34	Very low	31.4	Very low	126 Å²	126	130.4 Å²	130.4	77%	0.773	74%	0.744	S	S	*	*			trans	113.6	147.7	146.9	43.8	0	0	0	0	114.9
1307	N	31.3	Very low	31.3	Very low	140 Å²	140	131.5 Å²	131.5	75%	0.749	75%	0.745	S	S	*	*				176.8	140.5	70.9	-127.5	-9.4	0	0	0	113.9
1308	V	33.6	Very low	31.3	Very low	109.2 Å²	109.2	131 Å²	131	66%	0.662	74%	0.743	S	S	*	*			trans	75.5	114.8	133.3	170.1	0	0	0	0	117.8
1309	K	33.9	Very low	31.2	Very low	184.8 Å²	184.8	130.8 Å²	130.8	80%	0.803	74%	0.742	S	S	*	*				156	137.3	85	-88.7	164.3	-174.6	-179.7	0	114.5
1310	S	29.6	Very low	31.3	Very low	93.4 Å²	93.4	131 Å²	131	65%	0.653	74%	0.743	S	S	*	*				66.6	135.2	99.2	71.6	0	0	0	0	118.7
1311	I	33.5	Very low	31.5	Very low	153.2 Å²	153.2	133.8 Å²	133.8	79%	0.786	75%	0.745	S	S	*	*			trans	114.3	132.3	141.7	-73.8	163.7	0	0	0	114.8
1312	N	29.8	Very low	31.8	Very low	138.6 Å²	138.6	133.4 Å²	133.4	74%	0.741	75%	0.745	S	S	*	*			trans	79.9	143.1	174.2	-85.9	7.9	0	0	0	118.6
1313	C	28.4	Very low	31.8	Very low	110.6 Å²	110.6	130.6 Å²	130.6	75%	0.747	74%	0.744	S	S	*	*			trans	42.7	133.4	137.3	-58.6	0	0	0	0	121.3
1314	S	30.5	Very low	31.9	Very low	111.6 Å²	111.6	128.8 Å²	128.8	78%	0.78	74%	0.736	S	S	*	*				141.7	150.5	121.5	-24	0	0	0	0	115.6
1315	P	36.2	Very low	31.9	Very low	111.6 Å²	111.6	131.5 Å²	131.5	73%	0.725	73%	0.734	S	S	*	*			trans	-129.6	176.4	142.3	37.1	-20.8	0	0	0	115
1316	I	30.8	Very low	31.9	Very low	152.8 Å²	152.8	131 Å²	131	78%	0.784	73%	0.73	S	S	*	*			trans	87.2	122.5	150.6	-64.7	166.3	0	0	0	116.9	L1318	I1316-L1318 HydrophobicContact CG2-CD1 3.66Å
1317	N	28.8	Very low	31.7	Very low	143.4 Å²	143.4	134.5 Å²	134.5	77%	0.767	73%	0.729	S	S	*	*			trans	104	145.1	153.8	-99.8	-17.5	0	0	0	120.3
1318	L	30.7	Very low	31.8	Very low	135.8 Å²	135.8	136.4 Å²	136.4	71%	0.711	73%	0.731	S	S	*	*			trans	74.4	135.5	150.1	-79.4	132.3	0	0	0	118.8	I1316 K1321	I1316-L1318 HydrophobicContact CG2-CD1 3.66Å; L1318-K1321 HydrophobicContact CD2-CD 3.93Å; L1318-K1321 HydrophobicContact CD2-CG 4.22Å
1319	T	29.5	Very low	31.6	Very low	116.2 Å²	116.2	140.2 Å²	140.2	71%	0.713	74%	0.739	S	S	*	*				-175.2	145.5	102.6	28.1	0	0	0	0	115.2
1320	D	31.9	Very low	31.6	Very low	134 Å²	134	137 Å²	137	72%	0.717	73%	0.734	S	S	*	*			trans	80.4	129	142.8	-75.6	-20.6	0	0	0	119.3
1321	K	34.2	Very low	31.8	Very low	174.4 Å²	174.4	137.4 Å²	137.4	76%	0.758	74%	0.737	S	S	*	*			trans	-119.4	165.6	160.2	-72.4	178.6	-173.9	145.2	0	110.9	L1318	L1318-K1321 HydrophobicContact CD2-CD 3.93Å; L1318-K1321 HydrophobicContact CD2-CG 4.22Å
1322	P	35.7	Very low	31.8	Very low	111.6 Å²	111.6	139.3 Å²	139.3	73%	0.725	74%	0.74	S	S	*	*			cis	-127.5	167.1	1.9	36.9	-22.7	0	0	0	114.1
1323	L	30.8	Very low	32	Very low	143 Å²	143	138.9 Å²	138.9	75%	0.749	74%	0.742	S	S	*	*			trans	156.5	133.7	148.7	-89.9	161.5	0	0	0	116.4	H1578 T1579	L1323-H1578 WeakPolarHBondContact CD2-O 3.35Å; L1323-T1579 HydrophobicContact CD2-CG2 4.03Å
1324	H	33.7	Very low	32.2	Very low	136 Å²	136	143.1 Å²	143.1	63%	0.63	75%	0.748	S	S	*	*			trans	55.3	122	154.3	-88.6	-61.4	0	0	0	123.3	T1579 P1580 S1581	H1324-T1579 WeakPolarHBondContact CE1-CB 3.23Å; H1324-P1580 VanDerWaalsContact CE1-N 3.32Å; H1324-P1580 PolarHBondContact CE1-O 3.15Å; H1324-P1580 VanDerWaalsContact NE2-CD 3.26Å; H1324-P1580 WeakPolarHBondContact NE2-CD 3.48Å; H1324-P1580 PolarHBondContact NE2-O 3.5Å; H1324-P1580 VanDerWaalsContact NE2-O 3.08Å; H1324-S1581 PolarHBondContact CE1-N 3.24Å
1325	N	30.8	Very low	32.5	Very low	128.8 Å²	128.8	143.3 Å²	143.3	69%	0.689	75%	0.746	S	S	*	*				71.1	130.3	108.9	-87	-8.7	0	0	0	120.1
1326	S	31.9	Very low	32.3	Very low	96.2 Å²	96.2	148.7 Å²	148.7	67%	0.673	75%	0.754	S	S	*	*				81.7	113.2	116.4	-67.5	0	0	0	0	117.5
1327	R	30.9	Very low	32.5	Very low	199.2 Å²	199.2	146.9 Å²	146.9	75%	0.752	75%	0.752	S	S	*	*			trans	78	118.9	138	-127	-170.9	-162	172.2	4.5	118.9	D656 D657	D656-R1327 VanDerWaalsContact C-NH1 3.33Å; D656-R1327 VanDerWaalsContact CG-NH1 3.31Å; D656-R1327 VanDerWaalsContact OD1-CD 3.28Å; D656-R1327 WeakPolarHBondContact OD1-CD 3.39Å; D656-R1327 IonicContact OD1-CZ 3.14Å; D656-R1327 IonicContact OD1-NE 3.76Å; D656-R1327 IonicContact OD1-NH1 3.14Å; D656-R1327 PolarHBondContact OD1-NH1 2.81Å; D657-R1327 VanDerWaalsContact CA-NH2 3.33Å; D657-R1327 VanDerWaalsContact CG-NH2 3.28Å; D657-R1327 VanDerWaalsContact N-NH2 3.14Å; D657-R1327 IonicContact OD1-CZ 2.72Å; D657-R1327 IonicContact OD1-NE 2.71Å; D657-R1327 IonicContact OD1-NH1 3.71Å; D657-R1327 PolarHBondContact OD1-NH1 2.92Å; D657-R1327 VanDerWaalsContact OD1-NH1 3.14Å; D657-R1327 IonicContact OD1-NH2 3.05Å; D657-R1327 PolarHBondContact OD1-NH2 2.81Å; D657-R1327 IonicContact OD2-CZ 3.63Å; D657-R1327 IonicContact OD2-NH1 2.68Å; D657-R1327 PolarHBondContact OD2-NH1 3.24Å; D657-R1327 VanDerWaalsContact OD2-NH1 3.14Å; D657-R1327 IonicContact OD2-NH2 3.22Å
1328	K	32.3	Very low	32.6	Very low	179 Å²	179	145.3 Å²	145.3	78%	0.778	75%	0.752	S	S	*	*			trans	-143.4	143.9	140.6	-78	178.1	-179	173.2	0	114.9	D655 V1330	D655-K1328 HydrophobicContact CB-CD 4.24Å; D655-K1328 VanDerWaalsContact OD1-CD 3.24Å; D655-K1328 WeakPolarHBondContact OD1-CD 3.44Å; D655-K1328 WeakPolarHBondContact OD1-CE 3.41Å; D655-K1328 IonicContact OD1-NZ 3.39Å; D655-K1328 PolarHBondContact OD1-NZ 2.93Å; D655-K1328 WeakPolarHBondContact OD2-CD 3.28Å; D655-K1328 IonicContact OD2-NZ 2.76Å; K1328-V1330 PolarHBondContact O-N 2.93Å
1329	K	31	Very low	33.1	Very low	191 Å²	191	144.9 Å²	144.9	83%	0.83	76%	0.757	S	S	*	*			trans	-116.5	137	167.5	-70.3	178.9	177.1	178.8	0	111.5
1330	V	33.6	Very low	33.1	Very low	117.6 Å²	117.6	145 Å²	145	71%	0.713	76%	0.762	S	S	*	*			trans	134.4	120.7	138.9	-175.4	0	0	0	0	111	K1328	K1328-V1330 PolarHBondContact O-N 2.93Å
1331	S	33.1	Very low	33.1	Very low	101.6 Å²	101.6	150.2 Å²	150.2	71%	0.71	77%	0.771	S	S	*	*			trans	-80.8	142.9	165.4	48.7	0	0	0	0	112.3	T1333	S1331-T1333 VanDerWaalsContact C-N 3.25Å; S1331-T1333 PolarHBondContact O-N 3.42Å
1332	K	32.6	Very low	33	Very low	193.2 Å²	193.2	151.5 Å²	151.5	84%	0.84	78%	0.777	S	S	*	*			trans	-104.2	116.1	146.2	-72.3	175.5	177.9	179.5	0	111.5
1333	T	33.9	Very low	32.9	Very low	129.8 Å²	129.8	157.8 Å²	157.8	80%	0.796	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-92.5	154.3	155	37.5	0	0	0	0	109.9	S1331 P1335	S1331-T1333 VanDerWaalsContact C-N 3.25Å; S1331-T1333 PolarHBondContact O-N 3.42Å; T1333-P1335 WeakPolarHBondContact O-CD 3.36Å
1334	K	33.1	Very low	32.9	Very low	197.8 Å²	197.8	155.7 Å²	155.7	86%	0.86	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-87.4	139.6	176.2	-68.3	177.5	179.2	177.7	0	112.5
1335	P	37.7	Very low	32.9	Very low	115.4 Å²	115.4	158.5 Å²	158.5	75%	0.749	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-88.4	147.9	163.7	19.8	-9.8	0	0	0	111.5	T1333 P1337	T1333-P1335 WeakPolarHBondContact O-CD 3.36Å; P1335-P1337 WeakPolarHBondContact O-CD 3.45Å
1336	Y	30.6	Very low	33	Very low	225.2 Å²	225.2	157.7 Å²	157.7	88%	0.883	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-86.8	136.1	162.7	-88.3	-87.7	0	0	0	111.3
1337	P	36.4	Very low	33.1	Very low	116 Å²	116	158.1 Å²	158.1	75%	0.753	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-93.1	143.8	-179.6	35.7	-33.3	0	0	0	113.2	P1335	P1335-P1337 WeakPolarHBondContact O-CD 3.45Å
1338	S	31.1	Very low	33.2	Very low	109.8 Å²	109.8	156.5 Å²	156.5	77%	0.768	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-86.4	147.8	169.9	-23.1	0	0	0	0	111.3	C1340	S1338-C1340 PolarHBondContact O-N 3.04Å
1339	P	39.6	Very low	33.4	Very low	126.2 Å²	126.2	151.1 Å²	151.1	82%	0.819	80%	0.802	S	S	*	*			trans	-108.4	121.9	-160.3	35.4	-26	0	0	0	113.3
1340	C	29.9	Very low	34	Very low	120.2 Å²	120.2	148.4 Å²	148.4	81%	0.812	80%	0.804	S	S	*	*			trans	-116.8	93.2	174.6	-73.9	0	0	0	0	115.1	S1338	S1338-C1340 PolarHBondContact O-N 3.04Å
1341	R	33.2	Very low	34.2	Very low	241.6 Å²	241.6	152.1 Å²	152.1	91%	0.912	81%	0.805	S	S	*	*			trans	160.1	118.3	151.8	-102.8	174.9	178.3	-176.5	0.3	116.2
1342	K	31.4	Very low	34.9	Very low	201.4 Å²	201.4	152.2 Å²	152.2	88%	0.876	80%	0.803	S	S	*	*			trans	92.7	118.9	151.8	-74.3	-179.1	179.5	-177.5	0	115.1
1343	R	32.3	Very low	35.7	Very low	244.8 Å²	244.8	149 Å²	149	92%	0.924	80%	0.802	S	S	*	*			trans	-98.7	143.7	157.6	-73.2	177.4	-179.2	-164.1	-0	111.3
1344	S	32	Very low	36.1	Very low	99 Å²	99	148.5 Å²	148.5	69%	0.692	80%	0.795	S	S	*	*				159.7	119.8	117.3	64	0	0	0	0	113.2
1345	F	32.6	Very low	36.8	Very low	193.8 Å²	193.8	144.4 Å²	144.4	85%	0.85	79%	0.788	S	S	*	*			trans	80	123.7	171.5	-73.3	-81.2	0	0	0	117
1346	C	32.8	Very low	37.5	Very low	112.4 Å²	112.4	145 Å²	145	76%	0.759	79%	0.792	S	S	*	*			trans	67.6	119.3	139	-60.9	0	0	0	0	116.9
1347	S	34.1	Very low	38	Very low	104.2 Å²	104.2	139.5 Å²	139.5	73%	0.729	79%	0.787	S	S	*	*				-145	141.5	50.9	-63.6	0	0	0	0	111.1	G1349	S1347-G1349 PolarHBondContact O-N 2.82Å
1348	D	34.6	Very low	38.6	Very low	167.2 Å²	167.2	139.4 Å²	139.4	89%	0.894	79%	0.786	S	S	*	*			trans	-40.6	121.7	165.7	-64.5	-50.4	0	0	0	114.2
1349	G	36.4	Very low	39.7	Very low	64.2 Å²	64.2	139.7 Å²	139.7	66%	0.662	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-104.4	157.3	167.1	0	0	0	0	0	111.4	S1347 R1351	S1347-G1349 PolarHBondContact O-N 2.82Å; G1349-R1351 PolarHBondContact O-N 3.16Å; G1349-R1351 VanDerWaalsContact O-N 3.14Å
1350	P	42.6	Very low	40.3	Very low	135.2 Å²	135.2	139.2 Å²	139.2	88%	0.878	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-78.3	138.3	-168.1	29.2	-32	0	0	0	113
1351	R	39	Very low	40.8	Very low	194.8 Å²	194.8	139.4 Å²	139.4	74%	0.735	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-73.1	147	173	-151.2	176.2	-173.1	-99.7	-0.3	110.3	G1349 D1354	G1349-R1351 PolarHBondContact O-N 3.16Å; G1349-R1351 VanDerWaalsContact O-N 3.14Å; R1351-D1354 IonicContact CZ-OD1 3.7Å; R1351-D1354 IonicContact CZ-OD2 3.92Å; R1351-D1354 IonicContact NH1-OD1 2.98Å; R1351-D1354 PolarHBondContact NH1-OD1 3.31Å; R1351-D1354 IonicContact NH1-OD2 3.11Å; R1351-D1354 PolarHBondContact NH1-OD2 3.18Å; R1351-D1354 IonicContact NH2-OD1 3.58Å; R1351-D1354 PolarHBondContact NH2-OD1 3.45Å
1352	P	46.2	Very low	41.1	Very low	103 Å²	103	131.8 Å²	131.8	67%	0.669	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-62.1	151.7	171.5	8.8	-8.7	0	0	0	111.2	D1354	P1352-D1354 PolarHBondContact O-N 3.24Å
1353	P	49	Very low	41.3	Very low	127 Å²	127	126.2 Å²	126.2	83%	0.825	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-72.2	128.5	179.2	29.7	-34.2	0	0	0	111.3
1354	D	42.9	Very low	41.6	Very low	119.2 Å²	119.2	118.6 Å²	118.6	64%	0.637	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-75.1	148.9	168.1	-65.5	-72.4	0	0	0	109.6	R1351 P1352	R1351-D1354 IonicContact CZ-OD1 3.7Å; R1351-D1354 IonicContact CZ-OD2 3.92Å; R1351-D1354 IonicContact NH1-OD1 2.98Å; R1351-D1354 PolarHBondContact NH1-OD1 3.31Å; R1351-D1354 IonicContact NH1-OD2 3.11Å; R1351-D1354 PolarHBondContact NH1-OD2 3.18Å; R1351-D1354 IonicContact NH2-OD1 3.58Å; R1351-D1354 PolarHBondContact NH2-OD1 3.45Å; P1352-D1354 PolarHBondContact O-N 3.24Å
1355	P	49	Very low	41.7	Very low	111.2 Å²	111.2	118 Å²	118	72%	0.722	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-68.5	147.4	-171.4	27.2	-35	0	0	0	112.9	S1357	P1355-S1357 PolarHBondContact O-N 3.16Å; P1355-S1357 VanDerWaalsContact O-N 3.15Å
1356	P	50.6	Low	41.9	Very low	129 Å²	129	111.7 Å²	111.7	84%	0.838	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-69.7	128.9	-174.7	28.3	-35	0	0	0	112.3
1357	S	43	Very low	41.9	Very low	109.8 Å²	109.8	116.2 Å²	116.2	77%	0.768	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-82.9	145.9	172	-46.6	0	0	0	0	110.6	P1355	P1355-S1357 PolarHBondContact O-N 3.16Å; P1355-S1357 VanDerWaalsContact O-N 3.15Å
1358	P	48.3	Very low	42	Very low	112.6 Å²	112.6	117.1 Å²	117.1	73%	0.731	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-71.2	149.5	-170.6	28.5	-35.5	0	0	0	113.2	I1792	P1358-I1792 HydrophobicContact CB-CD1 4.17Å; P1358-I1792 HydrophobicContact CG-CD1 4.08Å
1359	P	54.4	Low	42	Very low	116.6 Å²	116.6	113.9 Å²	113.9	76%	0.757	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-75	150.6	179.2	31.2	-35.2	0	0	0	112.6	I1792	P1359-I1792 WeakPolarHBondContact O-CD1 3.49Å
1360	P	50.9	Low	42	Very low	116.2 Å²	116.2	116.2 Å²	116.2	76%	0.755	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-76.5	151.3	-180	31.8	-35.6	0	0	0	112.8	G1362	P1360-G1362 PolarHBondContact O-N 3.09Å
1361	P	41.3	Very low	41.6	Very low	124.4 Å²	124.4	116.1 Å²	116.1	81%	0.808	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-84	140.6	-178.3	33	-34.3	0	0	0	113.3
1362	G	39.5	Very low	41.4	Very low	80.8 Å²	80.8	113.6 Å²	113.6	83%	0.833	77%	0.769	S	S	*	*			trans	-157.4	143.5	168.3	0	0	0	0	0	113.2	P1360	P1360-G1362 PolarHBondContact O-N 3.09Å
1363	G	36.6	Very low	40.7	Very low	85 Å²	85	114.4 Å²	114.4	88%	0.876	78%	0.776	S	S	*	*			trans	171.8	132.1	170	0	0	0	0	0	114.3
1364	G	37	Very low	40.3	Very low	84.6 Å²	84.6	113.5 Å²	113.5	87%	0.872	77%	0.77	S	S	*	*			trans	148.5	126.4	161.6	0	0	0	0	0	114.9
1365	G	35.6	Very low	39.7	Very low	86.4 Å²	86.4	115.5 Å²	115.5	89%	0.891	78%	0.779	S	S	*	*			trans	124.7	141.4	154.2	0	0	0	0	0	115.6
1366	G	35.4	Very low	39	Very low	62.4 Å²	62.4	114.3 Å²	114.3	64%	0.643	78%	0.779	S	S	*	*			cis	148.7	148.9	11.6	0	0	0	0	0	114.6
1367	F	34.5	Very low	38.1	Very low	206.4 Å²	206.4	114.5 Å²	114.5	91%	0.905	78%	0.777	S	S	*	*			trans	74.7	151.7	154.1	-57.8	-80.2	0	0	0	117.2
1368	T	35.5	Very low	37.6	Very low	124 Å²	124	120 Å²	120	76%	0.761	78%	0.781	S	S	*	*			cis	-135.7	150	20.9	43	0	0	0	0	115.4
1369	S	34.4	Very low	36.8	Very low	99.4 Å²	99.4	120.4 Å²	120.4	70%	0.695	78%	0.782	S	S	*	*			trans	59.1	151.8	135.8	75.6	0	0	0	0	120.7
1370	T	35.6	Very low	35.8	Very low	112 Å²	112	125.4 Å²	125.4	69%	0.687	79%	0.786	S	S	*	*				104.2	135.6	107.4	40.5	0	0	0	0	117.1
1371	D	34.3	Very low	34.8	Very low	133 Å²	133	130.2 Å²	130.2	71%	0.711	79%	0.789	S	S	*	*			cis	157	155.7	37.5	-87.7	-8.7	0	0	0	118.3
1372	N	35.8	Very low	34.3	Very low	143.2 Å²	143.2	131.4 Å²	131.4	77%	0.766	79%	0.788	S	S	*	*			trans	69.1	93.2	152.6	-64	-36.3	0	0	0	122.9
1373	C	31.8	Very low	33.9	Very low	119.6 Å²	119.6	132.1 Å²	132.1	81%	0.808	78%	0.779	S	S	*	*				27.9	162.7	122.8	-78.7	0	0	0	0	120
1374	P	39.4	Very low	33.7	Very low	107.8 Å²	107.8	138 Å²	138	70%	0.7	78%	0.777	S	S	*	*			cis	-139	-166.6	-20.8	39	-18.1	0	0	0	115.6
1375	I	31.6	Very low	33.4	Very low	161 Å²	161	140.9 Å²	140.9	83%	0.826	77%	0.772	S	S	*	*			trans	75.9	113.7	163.1	-54.4	166.1	0	0	0	116
1376	A	33	Very low	33.3	Very low	87 Å²	87	141 Å²	141	72%	0.719	77%	0.765	S	S	*	*				-178.7	142.5	50.8	0	0	0	0	0	111.6
1377	T	31.8	Very low	33.4	Very low	132.6 Å²	132.6	143.7 Å²	143.7	81%	0.813	77%	0.771	S	S	*	*				173.4	135.3	125.7	-32	0	0	0	0	115.1
1378	R	32.4	Very low	33.2	Very low	224.4 Å²	224.4	141.5 Å²	141.5	85%	0.847	76%	0.764	S	S	*	*				154.2	123.9	115.6	-124.8	179.4	-178.2	173.9	1	116.6
1379	T	31.5	Very low	33	Very low	122.6 Å²	122.6	144.1 Å²	144.1	75%	0.752	76%	0.764	S	S	*	*			trans	-55.1	147	147.1	43.1	0	0	0	0	115.5
1380	R	33.4	Very low	32.9	Very low	220 Å²	220	144.3 Å²	144.3	83%	0.83	77%	0.766	S	S	*	*				-173.9	126.9	103.8	-105.7	169.8	-177.3	-158.1	1.7	114.1
1381	R	31.1	Very low	32.7	Very low	218.2 Å²	218.2	144.1 Å²	144.1	82%	0.823	77%	0.769	S	S	*	*				41.1	143.9	127.3	-90	-171.2	177.2	-173.1	-0.9	118.6
1382	L	30.8	Very low	32.5	Very low	149.2 Å²	149.2	142.8 Å²	142.8	78%	0.781	77%	0.77	S	S	*	*				157.2	157.5	114.7	-89.4	173.4	0	0	0	113.8
1383	S	30.7	Very low	32.3	Very low	94.4 Å²	94.4	141.8 Å²	141.8	66%	0.66	77%	0.769	S	S	*	*			trans	109.5	136.3	171.5	66.9	0	0	0	0	117.1
1384	Y	31.4	Very low	32.2	Very low	209.6 Å²	209.6	146.6 Å²	146.6	82%	0.822	77%	0.77	S	S	*	*				107.5	143.9	108.1	-88.9	-90.9	0	0	0	114.5
1385	N	31.2	Very low	31.7	Very low	145 Å²	145	147 Å²	147	78%	0.775	77%	0.767	S	S	*	*				124	145.2	76.2	-95.5	-16.2	0	0	0	116.1
1386	A	33.6	Very low	31.6	Very low	89.8 Å²	89.8	148.3 Å²	148.3	74%	0.742	76%	0.763	S	S	*	*			trans	-116.7	179.1	167.8	0	0	0	0	0	111.3
1387	P	37.7	Very low	31.5	Very low	117.8 Å²	117.8	150.2 Å²	150.2	77%	0.765	76%	0.761	S	S	*	*			cis	-133.2	171.7	42.4	40.3	-24.8	0	0	0	116.1
1388	Q	31	Very low	31.4	Very low	161.2 Å²	161.2	150.2 Å²	150.2	75%	0.753	76%	0.756	S	S	*	*			trans	92	148.3	151	-74	-101.4	-6.6	0	0	117.7
1389	K	30.7	Very low	31.4	Very low	178.8 Å²	178.8	144.7 Å²	144.7	78%	0.777	75%	0.747	S	S	*	*			trans	104.2	144.2	161.2	-75.2	174.6	-177.3	166.2	0	116.7
1390	S	30.9	Very low	31.4	Very low	103.8 Å²	103.8	145.1 Å²	145.1	73%	0.726	75%	0.745	S	S	*	*				144.5	138.4	89.3	48.1	0	0	0	0	118.1
1391	S	31.4	Very low	31.2	Very low	106.8 Å²	106.8	141.7 Å²	141.7	75%	0.747	74%	0.743	S	S	*	*			trans	60.3	145	143.9	62.6	0	0	0	0	119
1392	S	31.2	Very low	31.3	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	74%	0.737	S	S	*	*				127.8	137.3	124.8	73.9	0	0	0	0	117.9
1393	T	31.2	Very low	31.4	Very low	123 Å²	123	136.9 Å²	136.9	76%	0.755	74%	0.738	S	S	*	*				39.3	143.9	108.1	49.1	0	0	0	0	117.7
1394	R	29.4	Very low	31.4	Very low	220.2 Å²	220.2	139.3 Å²	139.3	83%	0.831	74%	0.739	S	S	*	*				153.8	150.5	88.3	-109	178.5	173.5	172.5	-1.4	115.6
1395	N	29	Very low	31.5	Very low	116.8 Å²	116.8	135.1 Å²	135.1	63%	0.625	74%	0.735	S	S	*	*			trans	58.4	142.2	146.4	-72.9	15.4	0	0	0	118.4
1396	Y	29.7	Very low	31.5	Very low	188 Å²	188	132.1 Å²	132.1	74%	0.737	73%	0.725	S	S	*	*				159.1	152.1	54.2	-103.7	-74.5	0	0	0	116.1
1397	N	30.5	Very low	31.4	Very low	126.8 Å²	126.8	134.6 Å²	134.6	68%	0.678	73%	0.725	S	S	*	*			trans	76.6	143.7	142	-72.9	-20	0	0	0	117.9
1398	N	30.8	Very low	31	Very low	131.8 Å²	131.8	137.1 Å²	137.1	71%	0.705	73%	0.725	S	S	*	*			cis	-176	155.4	30.5	-99.9	4.1	0	0	0	112.8
1399	T	31.1	Very low	30.8	Very low	109 Å²	109	133.4 Å²	133.4	67%	0.669	72%	0.716	S	S	*	*			cis	167.6	149.7	48.7	50.5	0	0	0	0	113.7
1400	N	31.6	Very low	30.8	Very low	131 Å²	131	129.8 Å²	129.8	70%	0.701	71%	0.709	S	S	*	*				67.1	142.7	109	-70.5	-11.3	0	0	0	116.1
1401	N	30.5	Very low	30.7	Very low	149.8 Å²	149.8	133.3 Å²	133.3	80%	0.801	71%	0.712	S	S	*	*				-151.7	161.6	82.2	-104.3	-13.6	0	0	0	114.3
1402	A	32.1	Very low	30.7	Very low	85 Å²	85	135.2 Å²	135.2	70%	0.702	71%	0.711	S	S	*	*			trans	64.4	141.7	149.2	0	0	0	0	0	119.1
1403	K	33.6	Very low	30.6	Very low	181.4 Å²	181.4	136.4 Å²	136.4	79%	0.789	71%	0.709	S	S	*	*				85.4	133.3	129.9	-76.4	173.6	179	-167.2	0	115.8	G1590 L1591	K1403-G1590 PolarHBondContact NZ-O 3.25Å; K1403-L1591 PolarHBondContact NZ-O 3Å
1404	E	31.2	Very low	30.4	Very low	144.6 Å²	144.6	135.3 Å²	135.3	68%	0.676	71%	0.705	S	S	*	*			trans	-139.2	165.8	144.4	-115.4	163.1	-157.4	0	0	111.5	G1590 L1591	E1404-G1590 VanDerWaalsContact CD-N 3.34Å; E1404-G1590 VanDerWaalsContact OE1-C 3.23Å; E1404-G1590 VanDerWaalsContact OE2-C 3.32Å; E1404-G1590 WeakPolarHBondContact OE2-CA 3.31Å; E1404-G1590 PolarHBondContact OE2-N 3.35Å; E1404-L1591 VanDerWaalsContact CD-N 3.32Å; E1404-L1591 PolarHBondContact OE1-N 3.43Å; E1404-L1591 VanDerWaalsContact OE1-N 3.17Å; E1404-L1591 PolarHBondContact OE2-N 3.17Å
1405	T	33.1	Very low	30.4	Very low	122.4 Å²	122.4	133.5 Å²	133.5	75%	0.751	70%	0.704	S	S	*	*			trans	-155.3	139.5	173.8	54.9	0	0	0	0	114.3
1406	S	32.1	Very low	30.3	Very low	80.8 Å²	80.8	134.2 Å²	134.2	57%	0.565	71%	0.707	S	S	*	*				162.9	123.5	126	178.6	0	0	0	0	115.8	S1409 K1902	S1406-S1409 PolarHBondContact O-OG 3.07Å; S1406-K1902 WeakPolarHBondContact CB-O 3.23Å; S1406-K1902 WeakPolarHBondContact O-CE 3.27Å; S1406-K1902 PolarHBondContact O-NZ 2.83Å; S1406-K1902 PolarHBondContact OG-NZ 2.84Å
1407	L	30.6	Very low	30.3	Very low	142.4 Å²	142.4	134.2 Å²	134.2	75%	0.746	71%	0.712	S	S	*	*			trans	-134.1	128.1	162.9	-70.1	175.5	0	0	0	116.5	K1902	L1407-K1902 WeakPolarHBondContact O-CB 3.32Å; L1407-K1902 WeakPolarHBondContact O-CE 3.42Å; L1407-K1902 WeakPolarHBondContact O-CG 3.07Å; L1407-K1902 PolarHBondContact O-NZ 2.9Å
1408	F	28.6	Very low	30.1	Very low	171.4 Å²	171.4	132.7 Å²	132.7	75%	0.752	71%	0.711	S	S	*	*			trans	-48.5	146.9	146.8	-119.9	-106.2	0	0	0	116.3	K1902 P1904 L1905	F1408-K1902 HydrophobicContact CB-CB 4.43Å; F1408-K1902 HydrophobicContact CB-CG 4.35Å; F1408-K1902 HydrophobicContact CD2-CB 3.9Å; F1408-P1904 WeakPolarHBondContact CE2-O 3.46Å; F1408-L1905 HydrophobicContact CE1-CB 4.17Å; F1408-L1905 HydrophobicContact CE1-CD2 4.45Å; F1408-L1905 HydrophobicContact CZ-CB 3.76Å
1409	S	28.1	Very low	30.1	Very low	82.4 Å²	82.4	134.9 Å²	134.9	58%	0.576	72%	0.716	S	S	*	*			trans	-117.2	171.8	168.1	64.8	0	0	0	0	115.2	S1406 F1411 M1412 N1413	S1406-S1409 PolarHBondContact O-OG 3.07Å; S1409-F1411 VanDerWaalsContact C-N 3.29Å; S1409-F1411 PolarHBondContact O-N 3.23Å; S1409-M1412 CarbonylContact O-C 3.6Å; S1409-M1412 PolarHBondContact O-N 2.69Å; S1409-N1413 WeakPolarHBondContact O-CB 3.33Å; S1409-N1413 VanDerWaalsContact O-CG 3.24Å; S1409-N1413 PolarHBondContact O-N 3.26Å
1410	T	30.9	Very low	30.1	Very low	102.8 Å²	102.8	133 Å²	133	63%	0.631	72%	0.719	S	S	*	*			trans	90.1	127.6	160.8	-40.9	0	0	0	0	116.8	M1412 N1413	T1410-M1412 VanDerWaalsContact C-N 3.28Å; T1410-M1412 PolarHBondContact O-N 3.22Å; T1410-N1413 PolarHBondContact O-N 2.9Å
1411	F	28.6	Very low	30	Very low	178.8 Å²	178.8	135.2 Å²	135.2	78%	0.784	73%	0.728	S	S	*	*			trans	56.7	100.4	155.3	-103.9	-80	0	0	0	118.1	S1409	S1409-F1411 VanDerWaalsContact C-N 3.29Å; S1409-F1411 PolarHBondContact O-N 3.23Å
1412	M	30.1	Very low	30.3	Very low	145.6 Å²	145.6	133.4 Å²	133.4	72%	0.717	72%	0.724	S	S	*	*			trans	54.7	117.5	141.1	-79.9	-67.9	-156.4	0	0	116.7	S1409 T1410 C1414 F1415	S1409-M1412 CarbonylContact O-C 3.6Å; S1409-M1412 PolarHBondContact O-N 2.69Å; T1410-M1412 VanDerWaalsContact C-N 3.28Å; T1410-M1412 PolarHBondContact O-N 3.22Å; M1412-C1414 VanDerWaalsContact C-N 3.29Å; M1412-C1414 PolarHBondContact O-N 2.91Å; M1412-F1415 PolarHBondContact O-N 2.77Å
1413	N	29.9	Very low	30.2	Very low	130 Å²	130	135 Å²	135	70%	0.695	73%	0.725	S	S	*	*			trans	67.3	104.4	159.9	-73.1	-12.3	0	0	0	115.7	S1409 T1410 F1415	S1409-N1413 WeakPolarHBondContact O-CB 3.33Å; S1409-N1413 VanDerWaalsContact O-CG 3.24Å; S1409-N1413 PolarHBondContact O-N 3.26Å; T1410-N1413 PolarHBondContact O-N 2.9Å; N1413-F1415 PolarHBondContact O-N 2.97Å; N1413-F1415 VanDerWaalsContact O-N 3.15Å
1414	C	27.7	Very low	30	Very low	101 Å²	101	131.4 Å²	131.4	68%	0.682	72%	0.723	S	S	*	*				151.2	109.5	93.8	-80.5	0	0	0	0	115.2	M1412	M1412-C1414 VanDerWaalsContact C-N 3.29Å; M1412-C1414 PolarHBondContact O-N 2.91Å
1415	F	28.7	Very low	29.9	Very low	182 Å²	182	130.7 Å²	130.7	80%	0.798	73%	0.729	S	S	*	*			trans	-160.3	123.9	151.7	-78.8	-72.6	0	0	0	114.6	M1412 N1413	M1412-F1415 PolarHBondContact O-N 2.77Å; N1413-F1415 PolarHBondContact O-N 2.97Å; N1413-F1415 VanDerWaalsContact O-N 3.15Å
1416	N	27.2	Very low	29.9	Very low	130.8 Å²	130.8	130.6 Å²	130.6	70%	0.699	73%	0.728	S	S	*	*				-131.9	134.1	127.3	-94.4	-15.9	0	0	0	113
1417	F	28.7	Very low	29.8	Very low	188.4 Å²	188.4	131.1 Å²	131.1	83%	0.826	73%	0.731	S	S	*	*			trans	67.4	137.5	139.2	-102.5	-91.8	0	0	0	115.4	H1419	F1417-H1419 AromaticContact CD1-CD2 3.9Å; F1417-H1419 AromaticContact CD1-NE2 3.65Å; F1417-H1419 PolarHBondContact O-N 3.43Å
1418	S	26.9	Very low	29.8	Very low	94.6 Å²	94.6	132.5 Å²	132.5	66%	0.662	73%	0.734	S	S	*	*			trans	-115.3	142.7	145.5	-119.4	0	0	0	0	111.3	G1420	S1418-G1420 PolarHBondContact O-N 2.84Å
1419	H	31.3	Very low	29.8	Very low	177.8 Å²	177.8	128.7 Å²	128.7	82%	0.823	73%	0.729	S	S	*	*			trans	-162.8	150.8	153.8	-73.1	-74.1	0	0	0	110.5	F1417	F1417-H1419 AromaticContact CD1-CD2 3.9Å; F1417-H1419 AromaticContact CD1-NE2 3.65Å; F1417-H1419 PolarHBondContact O-N 3.43Å
1420	G	30.6	Very low	29.9	Very low	70.6 Å²	70.6	134.7 Å²	134.7	73%	0.728	74%	0.74	S	S	*	*			cis	-167.5	133	13.8	0	0	0	0	0	111.9	S1418	S1418-G1420 PolarHBondContact O-N 2.84Å
1421	M	29.3	Very low	29.8	Very low	177.4 Å²	177.4	135 Å²	135	87%	0.874	74%	0.742	S	S	*	*				-128.7	147.1	123.4	-85.5	-85	179.6	0	0	111.1	T1423	M1421-T1423 PolarHBondContact O-N 2.82Å
1422	P	37.1	Very low	29.7	Very low	112 Å²	112	131.1 Å²	131.1	73%	0.727	74%	0.736	S	S	*	*			cis	-120.1	170.8	9.3	40.6	-27.2	0	0	0	113.7
1423	T	29.6	Very low	29.6	Very low	117.2 Å²	117.2	128.7 Å²	128.7	72%	0.719	73%	0.734	S	S	*	*			trans	-129.6	136.3	141.5	48.5	0	0	0	0	113.7	M1421	M1421-T1423 PolarHBondContact O-N 2.82Å
1424	S	29.1	Very low	29.6	Very low	107.2 Å²	107.2	128.9 Å²	128.9	75%	0.75	73%	0.734	S	S	*	*				138.7	130.9	117.4	63.2	0	0	0	0	114.2
1425	T	29.9	Very low	29.6	Very low	129.4 Å²	129.4	128.7 Å²	128.7	79%	0.794	73%	0.733	S	S	*	*			trans	-153.4	152.6	148.2	45.4	0	0	0	0	110.8
1426	T	33.8	Very low	29.5	Very low	120.6 Å²	120.6	124.8 Å²	124.8	74%	0.74	73%	0.729	S	S	*	*			cis	-140.1	154.7	34.4	19	0	0	0	0	111.9	N2002 Y2003	T1426-N2002 CarbonylContact C-O 3.48Å; T1426-N2002 VanDerWaalsContact C-O 3.32Å; T1426-N2002 CarbonylContact O-C 3.51Å; T1426-N2002 VanDerWaalsContact O-C 3.26Å; T1426-Y2003 VanDerWaalsContact CB-CE2 3.47Å; T1426-Y2003 PolarHBondContact O-N 3.06Å; T1426-Y2003 WeakPolarHBondContact OG1-CD1 3.17Å; T1426-Y2003 WeakPolarHBondContact OG1-CD2 3.35Å; T1426-Y2003 WeakPolarHBondContact OG1-CE1 3.41Å; T1426-Y2003 WeakPolarHBondContact OG1-CE2 3.25Å; T1426-Y2003 VanDerWaalsContact OG1-CG 3.24Å
1427	S	29.5	Very low	29.6	Very low	91 Å²	91	124.4 Å²	124.4	64%	0.636	74%	0.736	S	S	*	*			trans	-111.8	150.6	147.1	62	0	0	0	0	115.9	D2001 N2002 Y2003	S1427-D2001 WeakPolarHBondContact CA-OD1 3.28Å; S1427-D2001 VanDerWaalsContact CB-OD1 3.28Å; S1427-D2001 WeakPolarHBondContact CB-OD1 3.15Å; S1427-N2002 VanDerWaalsContact N-C 3.27Å; S1427-N2002 PolarHBondContact N-O 3.16Å; S1427-N2002 CarbonylContact O-C 3.52Å; S1427-N2002 WeakPolarHBondContact O-CA 3.39Å; S1427-N2002 PolarHBondContact O-N 2.69Å; S1427-Y2003 WeakPolarHBondContact O-CD2 3.16Å; S1427-Y2003 VanDerWaalsContact O-CE2 3.22Å; S1427-Y2003 WeakPolarHBondContact O-CE2 3.41Å
1428	E	31.2	Very low	29.7	Very low	171 Å²	171	118.6 Å²	118.6	80%	0.799	73%	0.729	S	S	*	*			trans	108.4	147.9	150.7	-84.8	174.7	-152.7	0	0	115.9	D2001 N2002 Y2003	E1428-D2001 VanDerWaalsContact C-CA 3.46Å; E1428-D2001 WeakPolarHBondContact CA-OD2 3.5Å; E1428-D2001 PolarHBondContact N-OD1 3.41Å; E1428-D2001 PolarHBondContact N-OD2 3.38Å; E1428-D2001 CarbonylContact O-C 3.48Å; E1428-D2001 WeakPolarHBondContact O-CA 3.07Å; E1428-N2002 PolarHBondContact O-N 3.23Å; E1428-N2002 PolarHBondContact O-ND2 2.74Å; E1428-Y2003 HydrophobicContact CG-CE2 4.48Å; E1428-Y2003 VanDerWaalsContact OE1-CE2 3.3Å; E1428-Y2003 WeakPolarHBondContact OE1-CE2 3.36Å; E1428-Y2003 PolarHBondContact OE1-OH 2.57Å
1429	S	28.6	Very low	29.9	Very low	91.2 Å²	91.2	119.6 Å²	119.6	64%	0.638	74%	0.736	S	S	*	*			trans	-146.6	156.3	-141.9	57.1	0	0	0	0	113.3	S2000 D2001	S1429-S2000 CarbonylContact C-O 3.46Å; S1429-S2000 WeakPolarHBondContact CA-O 2.84Å; S1429-S2000 PolarHBondContact O-OG 3.06Å; S1429-S2000 VanDerWaalsContact O-OG 3.14Å; S1429-D2001 VanDerWaalsContact CA-OD2 3.31Å; S1429-D2001 WeakPolarHBondContact CA-OD2 3.1Å
1430	Y	29.5	Very low	30	Very low	210.2 Å²	210.2	115.9 Å²	115.9	82%	0.824	73%	0.731	S	S	*	*				155.9	136	117	-119.6	-101.4	0	0	0	113.5	L1999 S2000	Y1430-L1999 CarbonylContact C-O 3.51Å; Y1430-S2000 WeakPolarHBondContact CA-O 3.29Å; Y1430-S2000 PolarHBondContact N-O 3.15Å
1431	V	28.5	Very low	30.1	Very low	109.2 Å²	109.2	117.5 Å²	117.5	66%	0.662	73%	0.731	S	S	*	*			trans	-61.6	125.7	158.5	-179.5	0	0	0	0	113.7
1432	S	27.2	Very low	30.3	Very low	95.4 Å²	95.4	113.9 Å²	113.9	67%	0.667	72%	0.723	S	S	*	*				72.2	130.5	125.1	-67.8	0	0	0	0	116.7
1433	S	28.1	Very low	30.1	Very low	94.8 Å²	94.8	113.4 Å²	113.4	66%	0.663	72%	0.722	S	S	*	*			trans	151.7	155.1	159.8	-69.5	0	0	0	0	113.2	L2021	S1433-L2021 PolarHBondContact OG-O 2.95Å
1434	I	28.7	Very low	30.2	Very low	135.8 Å²	135.8	112.7 Å²	112.7	70%	0.696	72%	0.722	S	S	*	*				71.2	109.4	120.5	-59.5	158.9	0	0	0	115.5	S1436 H2022	I1434-S1436 WeakPolarHBondContact CG2-O 3.45Å; I1434-H2022 WeakPolarHBondContact CD1-O 3.22Å
1435	S	27.3	Very low	30.4	Very low	96.2 Å²	96.2	112.5 Å²	112.5	67%	0.673	72%	0.72	S	S	*	*				115	122.2	123.8	55.6	0	0	0	0	119.1
1436	S	27	Very low	30.6	Very low	100.2 Å²	100.2	111.2 Å²	111.2	70%	0.701	72%	0.716	S	S	*	*			trans	53.5	116.7	130.2	16.9	0	0	0	0	118.7	I1434	I1434-S1436 WeakPolarHBondContact CG2-O 3.45Å
1437	S	30	Very low	30.6	Very low	121.6 Å²	121.6	110.2 Å²	110.2	85%	0.85	72%	0.715	S	S	*	*				144.6	150	91.2	56.4	0	0	0	0	114.6
1438	G	29.7	Very low	30.8	Very low	66.2 Å²	66.2	110.4 Å²	110.4	68%	0.682	72%	0.716	S	S	*	*			trans	-172.7	110.9	169	0	0	0	0	0	114.5
1439	S	32.1	Very low	31	Very low	116 Å²	116	106.9 Å²	106.9	81%	0.811	71%	0.71	S	S	*	*			trans	50.5	128	137.8	23.4	0	0	0	0	116.7
1440	S	33.1	Very low	31.3	Very low	101.2 Å²	101.2	107.2 Å²	107.2	71%	0.708	71%	0.713	S	S	*	*				112.2	147.4	79	62.8	0	0	0	0	117.2
1441	S	32.7	Very low	31.5	Very low	104.2 Å²	104.2	102 Å²	102	73%	0.729	71%	0.707	S	S	*	*			trans	68.4	129.7	145.3	59.7	0	0	0	0	119.8
1442	S	32.8	Very low	31.9	Very low	101.4 Å²	101.4	101.6 Å²	101.6	71%	0.709	71%	0.709	S	S	*	*			cis	149	151.6	32	50.7	0	0	0	0	114.6
1443	S	33.4	Very low	32.2	Very low	101.8 Å²	101.8	101.5 Å²	101.5	71%	0.712	71%	0.708	S	S	*	*			trans	83.1	137.9	134.4	56.3	0	0	0	0	118.2
1444	S	32.9	Very low	32.4	Very low	102 Å²	102	101.7 Å²	101.7	71%	0.713	71%	0.71	S	S	*	*				113.9	145.7	96.8	36	0	0	0	0	117.3
1445	S	33	Very low	32.6	Very low	103.2 Å²	103.2	100.2 Å²	100.2	72%	0.722	71%	0.711	S	S	*	*				67.2	135.3	129.8	60.1	0	0	0	0	118.5
1446	S	33.9	Very low	32.8	Very low	101.2 Å²	101.2	99.9 Å²	99.9	71%	0.708	71%	0.709	S	S	*	*			cis	157.3	165.1	42.6	41	0	0	0	0	113
1447	S	33.4	Very low	33	Very low	100.8 Å²	100.8	100 Å²	100	71%	0.705	71%	0.71	S	S	*	*				56.4	139.2	124.1	70.2	0	0	0	0	115
1448	S	34.2	Very low	33.1	Very low	94.2 Å²	94.2	98.3 Å²	98.3	66%	0.659	70%	0.698	S	S	*	*			cis	166.2	162	25.6	38.4	0	0	0	0	107.8
1449	S	35.2	Very low	33.1	Very low	98.2 Å²	98.2	99.6 Å²	99.6	69%	0.687	70%	0.696	S	S	*	*				100.2	152.5	79.3	60.7	0	0	0	0	115.8
1450	S	33.8	Very low	33	Very low	98.2 Å²	98.2	98.5 Å²	98.5	69%	0.687	69%	0.689	S	S	*	*				102.6	157.2	107.2	51.6	0	0	0	0	116.7
1451	S	35.3	Very low	32.8	Very low	100.2 Å²	100.2	98.6 Å²	98.6	70%	0.701	69%	0.69	S	S	*	*			trans	110.8	152.9	137	62	0	0	0	0	114.8
1452	S	35.4	Very low	32.6	Very low	100.8 Å²	100.8	100.6 Å²	100.6	71%	0.705	69%	0.692	S	S	*	*				115.5	135.4	90.2	50.6	0	0	0	0	115.9
1453	S	33.7	Very low	32.5	Very low	93.2 Å²	93.2	101.6 Å²	101.6	65%	0.652	69%	0.694	S	S	*	*				110.1	131.6	74.3	53.2	0	0	0	0	115.1
1454	S	32.5	Very low	32.3	Very low	100 Å²	100	104 Å²	104	70%	0.699	70%	0.698	S	S	*	*			trans	57.6	134	136.2	59.4	0	0	0	0	120.5
1455	S	32.8	Very low	32.2	Very low	102.8 Å²	102.8	104.7 Å²	104.7	72%	0.719	70%	0.698	S	S	*	*			cis	178.9	159.9	42.9	50.9	0	0	0	0	111.2
1456	S	32.5	Very low	32.1	Very low	91.2 Å²	91.2	105.4 Å²	105.4	64%	0.638	70%	0.698	S	S	*	*			trans	101	132.9	155.1	51.5	0	0	0	0	113.8
1457	S	31.1	Very low	31.8	Very low	101 Å²	101	107.9 Å²	107.9	71%	0.706	70%	0.703	S	S	*	*				66.1	135.6	94.9	68.6	0	0	0	0	116.1
1458	S	32.1	Very low	31.7	Very low	86 Å²	86	108.8 Å²	108.8	60%	0.601	70%	0.7	S	S	*	*			cis	158.1	150	37.4	48.1	0	0	0	0	114.3	S2038 Y2039	S1458-S2038 WeakPolarHBondContact O-CB 3.39Å; S1458-Y2039 WeakPolarHBondContact O-CB 3.22Å; S1458-Y2039 PolarHBondContact O-N 2.99Å
1459	S	28.6	Very low	31.5	Very low	93.2 Å²	93.2	110.3 Å²	110.3	65%	0.652	70%	0.701	S	S	*	*				68.9	134.2	129	14.2	0	0	0	0	120.1	S2038 Y2039	S1459-S2038 CarbonylContact O-C 3.59Å; S1459-S2038 WeakPolarHBondContact O-CA 3.39Å; S1459-S2038 WeakPolarHBondContact O-CB 2.96Å; S1459-S2038 PolarHBondContact O-OG 2.88Å; S1459-Y2039 VanDerWaalsContact C-CD2 3.5Å; S1459-Y2039 WeakPolarHBondContact O-CD2 3.39Å; S1459-Y2039 PolarHBondContact O-N 2.97Å; S1459-Y2039 WeakPolarHBondContact OG-CD1 3.21Å; S1459-Y2039 WeakPolarHBondContact OG-CE1 3.41Å; S1459-Y2039 VanDerWaalsContact OG-CG 3.24Å
1460	S	30	Very low	31.3	Very low	93.6 Å²	93.6	111.4 Å²	111.4	66%	0.655	70%	0.699	S	S	*	*			trans	77.1	129.1	145.5	49.9	0	0	0	0	118.1
1461	S	29.9	Very low	31	Very low	104 Å²	104	111.1 Å²	111.1	73%	0.727	70%	0.696	S	S	*	*				159.7	147.8	118.3	-75.4	0	0	0	0	115.2
1462	N	29.2	Very low	30.6	Very low	144.8 Å²	144.8	115.2 Å²	115.2	77%	0.774	70%	0.702	S	S	*	*				32.7	133.2	127.2	-58.2	-28.3	0	0	0	115.2
1463	T	30	Very low	30.2	Very low	123.4 Å²	123.4	120.3 Å²	120.3	76%	0.757	71%	0.706	S	S	*	*				145	137	98.6	40	0	0	0	0	117.6
1464	L	28.2	Very low	29.8	Very low	152 Å²	152	120.7 Å²	120.7	80%	0.796	71%	0.708	S	S	*	*			trans	60.8	138.1	150.6	-81.3	109.5	0	0	0	122.2
1465	T	30.5	Very low	29.5	Very low	116.2 Å²	116.2	122.7 Å²	122.7	71%	0.713	71%	0.711	S	S	*	*			trans	84	124.2	143	43.9	0	0	0	0	119.3
1466	T	30.7	Very low	29.3	Very low	118.2 Å²	118.2	127.8 Å²	127.8	73%	0.725	72%	0.715	S	S	*	*				104.2	124.6	97.8	32.5	0	0	0	0	117.7
1467	L	29.6	Very low	29.1	Very low	153.6 Å²	153.6	129.9 Å²	129.9	80%	0.804	72%	0.72	S	S	*	*				85.7	135.7	122.2	-71.3	170	0	0	0	117.6
1468	N	29.6	Very low	28.9	Very low	120 Å²	120	132.3 Å²	132.3	64%	0.642	72%	0.724	S	S	*	*				109.2	137.1	115.8	-126.1	6.9	0	0	0	117.9
1469	N	30.7	Very low	28.8	Very low	126.4 Å²	126.4	136.3 Å²	136.3	68%	0.676	73%	0.73	S	S	*	*			trans	89.5	136.8	134	-81.4	-20	0	0	0	116.1
1470	N	30.3	Very low	28.8	Very low	121.4 Å²	121.4	137 Å²	137	65%	0.649	73%	0.727	S	S	*	*			cis	102.2	130.2	37.1	-78.7	-34.7	0	0	0	113.1
1471	S	28.8	Very low	28.8	Very low	90.2 Å²	90.2	140.7 Å²	140.7	63%	0.631	73%	0.731	S	S	*	*				82.6	134.1	66.4	-89.5	0	0	0	0	118.6	R1302	R1302-S1471 PolarHBondContact NH1-OG 3.26Å
1472	F	27	Very low	28.7	Very low	188 Å²	188	142.2 Å²	142.2	83%	0.825	73%	0.73	S	S	*	*			trans	59	135.5	149.5	-84.7	-80.9	0	0	0	119.8
1473	R	25.9	Very low	28.7	Very low	207.6 Å²	207.6	142 Å²	142	78%	0.783	73%	0.728	S	S	*	*			trans	150.5	140.4	135.9	-92.4	-180	178.9	-163.4	-1	117.5	H1951	R1473-H1951 WeakPolarHBondContact CD-CE1 3.21Å; R1473-H1951 WeakPolarHBondContact CD-ND1 3.25Å; R1473-H1951 PolarHBondContact NH1-CD2 2.77Å; R1473-H1951 PolarHBondContact NH1-CE1 3.05Å; R1473-H1951 PolarHBondContact NH1-NE2 3.43Å
1474	S	26.3	Very low	28.7	Very low	100.6 Å²	100.6	142.1 Å²	142.1	70%	0.703	73%	0.729	S	S	*	*			trans	76.7	115.1	140.7	-148.5	0	0	0	0	121.5
1475	L	26.2	Very low	28.8	Very low	143.4 Å²	143.4	139 Å²	139	75%	0.751	73%	0.725	S	S	*	*			trans	72.5	117.2	141.3	-71.8	174.7	0	0	0	118.5	I1507	L1475-I1507 HydrophobicContact CD2-CD1 3.71Å
1476	Y	27.2	Very low	28.8	Very low	208.2 Å²	208.2	139.1 Å²	139.1	82%	0.816	73%	0.73	S	S	*	*			trans	107.3	136.6	144.4	-90.1	-80.2	0	0	0	116
1477	N	28.3	Very low	28.8	Very low	135.8 Å²	135.8	138.3 Å²	138.3	73%	0.726	74%	0.736	S	S	*	*			trans	65.4	119.5	146	-81.1	-17.7	0	0	0	118.3
1478	L	28.5	Very low	28.9	Very low	152.4 Å²	152.4	134.5 Å²	134.5	80%	0.798	73%	0.733	S	S	*	*			trans	69.7	111.6	137.7	-72.5	162.7	0	0	0	115.8
1479	K	29.1	Very low	29	Very low	168.8 Å²	168.8	135.1 Å²	135.1	73%	0.734	74%	0.742	S	S	*	*				167.2	127.9	94.6	-100	-175.1	170.1	-174.7	0	115.3
1480	D	28.7	Very low	28.9	Very low	108.8 Å²	108.8	134.8 Å²	134.8	58%	0.582	75%	0.745	S	S	*	*			trans	32.8	128.3	138.9	-60.4	-26.9	0	0	0	118.6	S1502	D1480-S1502 PolarHBondContact OD2-N 2.87Å
1481	K	30	Very low	29	Very low	170.6 Å²	170.6	135.7 Å²	135.7	74%	0.742	75%	0.748	S	S	*	*				-173.2	150.5	113.4	-85.4	170.9	-163	173.2	0	112.8	C1499 L1500	K1481-C1499 VanDerWaalsContact CE-O 3.24Å; K1481-C1499 WeakPolarHBondContact CE-O 3.46Å; K1481-C1499 PolarHBondContact NZ-O 2.81Å; K1481-C1499 PolarHBondContact NZ-SG 2.8Å; K1481-L1500 HydrophobicContact CD-CB 3.93Å; K1481-L1500 HydrophobicContact CD-CD1 4.08Å
1482	L	27.2	Very low	29	Very low	136.2 Å²	136.2	138.5 Å²	138.5	71%	0.713	75%	0.751	S	S	*	*				63.1	131.1	109.2	-95.9	143.7	0	0	0	113.1
1483	I	29.2	Very low	29	Very low	139.6 Å²	139.6	135 Å²	135	72%	0.716	75%	0.745	S	S	*	*				-154.5	136.9	82.3	-65.8	162.5	0	0	0	108.7
1484	T	30.4	Very low	29.2	Very low	126.6 Å²	126.6	133.2 Å²	133.2	78%	0.777	74%	0.743	S	S	*	*				97.6	130	126.1	-22	0	0	0	0	114.8
1485	A	30.3	Very low	29.4	Very low	87.4 Å²	87.4	132.7 Å²	132.7	72%	0.722	74%	0.736	S	S	*	*				-156	165.1	105.1	0	0	0	0	0	109.4
1486	S	31	Very low	29.6	Very low	116.6 Å²	116.6	131.6 Å²	131.6	82%	0.815	73%	0.731	S	S	*	*			cis	144.3	152.9	-14.6	77	0	0	0	0	111.2
1487	A	31.4	Very low	29.8	Very low	101.8 Å²	101.8	128 Å²	128	84%	0.841	73%	0.725	S	S	*	*			cis	-161.6	161.4	-20.3	0	0	0	0	0	109.7
1488	G	31.2	Very low	29.8	Very low	73.4 Å²	73.4	128.8 Å²	128.8	76%	0.757	73%	0.728	S	S	*	*			trans	-172.2	131	161.7	0	0	0	0	0	113.3
1489	T	31.4	Very low	29.9	Very low	133.2 Å²	133.2	126.8 Å²	126.8	82%	0.817	73%	0.725	S	S	*	*			trans	-113.7	137.3	133.5	7.4	0	0	0	0	116.5
1490	T	29.1	Very low	29.7	Very low	120.2 Å²	120.2	125.2 Å²	125.2	74%	0.737	72%	0.724	S	S	*	*			trans	84.6	140	141.1	-41.7	0	0	0	0	116.9
1491	I	31	Very low	30	Very low	140.4 Å²	140.4	124.6 Å²	124.6	72%	0.72	73%	0.726	S	S	*	*				112.8	131.9	116.5	-66	168.1	0	0	0	113.7
1492	Q	29.4	Very low	30	Very low	149.6 Å²	149.6	121.3 Å²	121.3	70%	0.699	73%	0.725	S	S	*	*			cis	148.8	144.8	5.1	-113.3	174.5	3.9	0	0	111.7	L1500	Q1492-L1500 HydrophobicContact CB-CD2 4.01Å; Q1492-L1500 HydrophobicContact CG-CD2 3.75Å
1493	T	28	Very low	30.1	Very low	114.8 Å²	114.8	120 Å²	120	70%	0.704	73%	0.727	S	S	*	*			trans	71.9	147.4	130.5	53.2	0	0	0	0	115.9	L1500 P1501	T1493-L1500 WeakPolarHBondContact OG1-CD2 3.3Å; T1493-P1501 HydrophobicContact CG2-CG 4.35Å
1494	K	29	Very low	30.1	Very low	169.6 Å²	169.6	117.9 Å²	117.9	74%	0.737	73%	0.725	S	S	*	*				-148	151.6	121.8	-128.5	-179.6	-177.8	-173.8	0	111.4	S2235 D2236 D2237	K1494-S2235 WeakPolarHBondContact CB-OG 3.27Å; K1494-D2236 PolarHBondContact NZ-O 2.75Å; K1494-D2237 WeakPolarHBondContact CE-O 3.37Å; K1494-D2237 VanDerWaalsContact NZ-CB 3.33Å; K1494-D2237 PolarHBondContact NZ-O 3.28Å
1495	V	30.7	Very low	30.1	Very low	90.2 Å²	90.2	118.6 Å²	118.6	55%	0.547	72%	0.724	S	S	.	*			trans	92.3	127.2	173.2	180	0	0	0	0	114	N1497 P1501	V1495-N1497 VanDerWaalsContact CG1-OD1 3.31Å; V1495-N1497 WeakPolarHBondContact CG1-OD1 3.45Å; V1495-P1501 HydrophobicContact CG2-CB 3.65Å; V1495-P1501 HydrophobicContact CG2-CG 4.26Å
1496	D	30.1	Very low	29.9	Very low	119.8 Å²	119.8	119.9 Å²	119.9	64%	0.641	73%	0.727	S	S	*	*			trans	-137	147.7	131.7	-71.1	-31.2	0	0	0	111.6	I1498 Q2234	D1496-I1498 PolarHBondContact O-N 3.42Å; D1496-Q2234 WeakPolarHBondContact OD1-CB 3.19Å
1497	N	31.1	Very low	29.9	Very low	132.2 Å²	132.2	121.5 Å²	121.5	71%	0.707	72%	0.724	S	S	*	*			trans	-119	160.4	-175.9	-86.7	-61	0	0	0	114.2	V1495	V1495-N1497 VanDerWaalsContact CG1-OD1 3.31Å; V1495-N1497 WeakPolarHBondContact CG1-OD1 3.45Å
1498	I	29.9	Very low	29.6	Very low	153.2 Å²	153.2	122.8 Å²	122.8	79%	0.786	72%	0.717	S	S	*	*			trans	79.1	127.1	150.8	-63.7	160.3	0	0	0	115	D1496	D1496-I1498 PolarHBondContact O-N 3.42Å
1499	C	28.9	Very low	29.5	Very low	109.2 Å²	109.2	127 Å²	127	74%	0.738	72%	0.719	S	S	*	*				171.3	137.5	51.9	-109.1	0	0	0	0	116.2	K1481	K1481-C1499 VanDerWaalsContact CE-O 3.24Å; K1481-C1499 WeakPolarHBondContact CE-O 3.46Å; K1481-C1499 PolarHBondContact NZ-O 2.81Å; K1481-C1499 PolarHBondContact NZ-SG 2.8Å
1500	L	26.6	Very low	29.4	Very low	134.8 Å²	134.8	125 Å²	125	71%	0.706	71%	0.711	S	S	*	*			trans	-57.2	162.5	146.6	-74.5	161.7	0	0	0	113.4	K1481 Q1492 T1493	K1481-L1500 HydrophobicContact CD-CB 3.93Å; K1481-L1500 HydrophobicContact CD-CD1 4.08Å; Q1492-L1500 HydrophobicContact CB-CD2 4.01Å; Q1492-L1500 HydrophobicContact CG-CD2 3.75Å; T1493-L1500 WeakPolarHBondContact OG1-CD2 3.3Å
1501	P	35.2	Very low	29.7	Very low	96.2 Å²	96.2	124.5 Å²	124.5	63%	0.625	71%	0.709	S	S	*	*			trans	-131.7	172.3	138.8	37.3	-22.9	0	0	0	116.5	T1493 V1495	T1493-P1501 HydrophobicContact CG2-CG 4.35Å; V1495-P1501 HydrophobicContact CG2-CB 3.65Å; V1495-P1501 HydrophobicContact CG2-CG 4.26Å
1502	S	28.9	Very low	29.7	Very low	102.2 Å²	102.2	125.8 Å²	125.8	72%	0.715	72%	0.717	S	S	*	*			trans	170.7	140.7	151.7	20.1	0	0	0	0	115.6	D1480	D1480-S1502 PolarHBondContact OD2-N 2.87Å
1503	S	29.9	Very low	29.6	Very low	108 Å²	108	129.6 Å²	129.6	76%	0.755	73%	0.725	S	S	*	*				167.5	148.1	68.1	59.7	0	0	0	0	114.5
1504	S	29.5	Very low	29.9	Very low	96.4 Å²	96.4	129.6 Å²	129.6	67%	0.674	73%	0.727	S	S	*	*			trans	-80.5	151.4	154.7	60	0	0	0	0	114.2
1505	D	29.2	Very low	29.9	Very low	142 Å²	142	126.3 Å²	126.3	76%	0.759	73%	0.725	S	S	*	*				-172.2	142.3	112.2	-71.9	-47	0	0	0	116.5	I1507	D1505-I1507 PolarHBondContact O-N 3.18Å
1506	C	26.9	Very low	29.8	Very low	115 Å²	115	131.7 Å²	131.7	78%	0.777	74%	0.742	S	S	*	*			trans	-94.7	151.3	172.6	-58.3	0	0	0	0	113.4	D1508	C1506-D1508 VanDerWaalsContact C-N 3.26Å; C1506-D1508 PolarHBondContact O-N 3.37Å
1507	I	30.8	Very low	29.7	Very low	149.4 Å²	149.4	131.5 Å²	131.5	77%	0.766	75%	0.749	S	S	*	*			trans	-175	100.9	152.7	-67.6	172.7	0	0	0	110.8	L1475 D1505 M1509	L1475-I1507 HydrophobicContact CD2-CD1 3.71Å; D1505-I1507 PolarHBondContact O-N 3.18Å; I1507-M1509 HydrophobicContact CG2-CE 3.77Å; I1507-M1509 HydrophobicContact CG2-CG 4.44Å
1508	D	25.7	Very low	29.7	Very low	129.8 Å²	129.8	130.5 Å²	130.5	69%	0.694	75%	0.753	S	S	*	*			trans	39.5	139.3	130.8	-165.3	20.8	0	0	0	116.3	C1506 S1510	C1506-D1508 VanDerWaalsContact C-N 3.26Å; C1506-D1508 PolarHBondContact O-N 3.37Å; D1508-S1510 PolarHBondContact O-N 3.23Å; D1508-S1510 PolarHBondContact OD1-N 3.24Å; D1508-S1510 PolarHBondContact OD1-OG 3.25Å
1509	M	28.6	Very low	29.7	Very low	160.2 Å²	160.2	128.7 Å²	128.7	79%	0.789	75%	0.754	S	S	*	*			trans	-156.5	97.6	172.5	-80.9	-66.9	158.8	0	0	115.9	I1507	I1507-M1509 HydrophobicContact CG2-CE 3.77Å; I1507-M1509 HydrophobicContact CG2-CG 4.44Å
1510	S	28.2	Very low	30	Very low	92.4 Å²	92.4	129.1 Å²	129.1	65%	0.646	76%	0.755	S	S	*	*			trans	-55.3	149.6	154	-72.4	0	0	0	0	113.2	D1508 L1512	D1508-S1510 PolarHBondContact O-N 3.23Å; D1508-S1510 PolarHBondContact OD1-N 3.24Å; D1508-S1510 PolarHBondContact OD1-OG 3.25Å; S1510-L1512 PolarHBondContact O-N 2.87Å
1511	P	36	Very low	30.2	Very low	109.8 Å²	109.8	128.8 Å²	128.8	71%	0.713	76%	0.759	S	S	*	*				-115.6	151.9	97.9	34.7	-25.8	0	0	0	115.5	F1053 R1513	F1053-P1511 HydrophobicContact CE2-CG 4.38Å; F1053-P1511 HydrophobicContact CZ-CG 3.99Å; P1511-R1513 PolarHBondContact O-N 3.41Å
1512	L	30.6	Very low	30	Very low	166.6 Å²	166.6	129.8 Å²	129.8	87%	0.872	76%	0.763	S	S	*	*			trans	-100.9	124.1	155.4	-75.9	170.8	0	0	0	116.5	S1510 P1514	S1510-L1512 PolarHBondContact O-N 2.87Å; L1512-P1514 WeakPolarHBondContact O-CD 3.45Å
1513	R	28.9	Very low	30	Very low	230.2 Å²	230.2	131 Å²	131	87%	0.869	77%	0.766	S	S	*	*			trans	-78.4	150.9	164.7	-84.1	-175.7	169.7	-174.1	-3	112.3	P1511	P1511-R1513 PolarHBondContact O-N 3.41Å
1514	P	33.9	Very low	30	Very low	114.8 Å²	114.8	132.8 Å²	132.8	75%	0.745	77%	0.767	S	S	*	*			trans	-105.5	159.1	156.9	28.7	-21.2	0	0	0	113	L1512 F1516	L1512-P1514 WeakPolarHBondContact O-CD 3.45Å; P1514-F1516 HydrophobicContact CB-CD2 4.38Å; P1514-F1516 HydrophobicContact CB-CE2 4.12Å
1515	S	27.9	Very low	30.1	Very low	100.6 Å²	100.6	133.8 Å²	133.8	70%	0.703	77%	0.768	S	S	*	*			trans	-116.1	133.2	-178.8	44.6	0	0	0	0	113.5
1516	F	29.4	Very low	30.2	Very low	203.4 Å²	203.4	134.6 Å²	134.6	89%	0.892	77%	0.765	S	S	*	*			trans	-87.6	139.1	149.5	-71.2	-78.4	0	0	0	114.6	P1514	P1514-F1516 HydrophobicContact CB-CD2 4.38Å; P1514-F1516 HydrophobicContact CB-CE2 4.12Å
1517	S	27.2	Very low	30.5	Very low	114.4 Å²	114.4	135.1 Å²	135.1	80%	0.8	76%	0.76	S	S	*	*			trans	-139.4	147.3	165.6	60.3	0	0	0	0	110.7
1518	S	31.9	Very low	30.7	Very low	112 Å²	112	133.8 Å²	133.8	78%	0.783	75%	0.754	S	S	*	*			trans	-172.6	139.8	154	54.5	0	0	0	0	112.1
1519	S	28.6	Very low	31	Very low	115.4 Å²	115.4	133.8 Å²	133.8	81%	0.807	75%	0.754	S	S	*	*			trans	-173.5	144.5	141.4	-53.1	0	0	0	0	111.9
1520	P	36.9	Very low	31.3	Very low	118.4 Å²	118.4	133.7 Å²	133.7	77%	0.769	76%	0.757	S	S	*	*			trans	-135.6	170.6	145.1	39.4	-22.7	0	0	0	114.7
1521	T	29.6	Very low	31.6	Very low	126.8 Å²	126.8	133.8 Å²	133.8	78%	0.778	76%	0.758	S	S	*	*			trans	176.8	134.6	160.6	-18.2	0	0	0	0	114.4	V1523	T1521-V1523 HydrophobicContact CG2-CG2 4.26Å
1522	T	31.3	Very low	31.4	Very low	118 Å²	118	135.2 Å²	135.2	72%	0.724	76%	0.759	S	S	*	*				-104	134.2	110	-31.7	0	0	0	0	115.3	L1524	T1522-L1524 HydrophobicContact CG2-CD1 4.28Å; T1522-L1524 HydrophobicContact CG2-CD2 4.18Å; T1522-L1524 HydrophobicContact CG2-CG 4.01Å
1523	V	29.6	Very low	31.6	Very low	126.8 Å²	126.8	131.7 Å²	131.7	77%	0.768	75%	0.749	S	S	*	*				-143.7	130.7	125.3	175.4	0	0	0	0	113.5	T1521 V1525	T1521-V1523 HydrophobicContact CG2-CG2 4.26Å; V1523-V1525 HydrophobicContact CG1-CG2 4.4Å
1524	L	28.9	Very low	31.6	Very low	146.4 Å²	146.4	128.9 Å²	128.9	77%	0.766	75%	0.749	S	S	*	*			trans	37.8	145.1	156.1	-76.1	159.6	0	0	0	114.3	T1522	T1522-L1524 HydrophobicContact CG2-CD1 4.28Å; T1522-L1524 HydrophobicContact CG2-CD2 4.18Å; T1522-L1524 HydrophobicContact CG2-CG 4.01Å
1525	V	32.3	Very low	31.5	Very low	117.2 Å²	117.2	126.8 Å²	126.8	71%	0.71	75%	0.748	S	S	*	*				-153.7	135	72.5	152.3	0	0	0	0	109.1	V1523	V1523-V1525 HydrophobicContact CG1-CG2 4.4Å
1526	K	30.8	Very low	31.7	Very low	158.8 Å²	158.8	129.1 Å²	129.1	69%	0.69	75%	0.753	S	S	*	*			trans	62	134.2	150.1	-85.1	-174	147.5	-80.8	0	116.1	D1528	K1526-D1528 IonicContact NZ-OD1 2.87Å; K1526-D1528 PolarHBondContact NZ-OD1 3.18Å; K1526-D1528 IonicContact NZ-OD2 3.25Å; K1526-D1528 PolarHBondContact NZ-OD2 3.26Å
1527	D	33	Very low	32.1	Very low	125.4 Å²	125.4	124.6 Å²	124.6	67%	0.671	74%	0.744	S	S	*	*			cis	-146.4	165.3	-11.4	-81	-34.7	0	0	0	106.4
1528	D	36	Very low	32.1	Very low	122 Å²	122	125.7 Å²	125.7	65%	0.652	74%	0.741	S	S	*	*			cis	-146.8	-153.5	29.5	-128.2	-55.3	0	0	0	110.7	K1526 S1990	K1526-D1528 IonicContact NZ-OD1 2.87Å; K1526-D1528 PolarHBondContact NZ-OD1 3.18Å; K1526-D1528 IonicContact NZ-OD2 3.25Å; K1526-D1528 PolarHBondContact NZ-OD2 3.26Å; D1528-S1990 VanDerWaalsContact OD2-CB 3.24Å; D1528-S1990 WeakPolarHBondContact OD2-CB 3.27Å; D1528-S1990 PolarHBondContact OD2-OG 2.94Å
1529	N	32	Very low	32.2	Very low	129.6 Å²	129.6	128.6 Å²	128.6	69%	0.693	74%	0.742	S	S	*	*			trans	-116.9	163.8	-175.9	-55.8	-75.6	0	0	0	113.7
1530	D	34.8	Very low	32.3	Very low	159 Å²	159	130.4 Å²	130.4	85%	0.85	74%	0.738	S	S	*	*				-168.3	158.4	106.7	-94.4	-34.2	0	0	0	113.9
1531	S	33.9	Very low	31.9	Very low	94 Å²	94	130.2 Å²	130.2	66%	0.657	74%	0.738	S	S	*	*			trans	-125.4	171.5	-144.7	-16.3	0	0	0	0	113.9
1532	D	32.3	Very low	32.2	Very low	138.8 Å²	138.8	129 Å²	129	74%	0.742	73%	0.733	S	S	*	*			trans	119.3	144.6	152.1	-93.8	-32.1	0	0	0	117
1533	S	33.5	Very low	32.2	Very low	92.8 Å²	92.8	126.5 Å²	126.5	65%	0.649	73%	0.73	S	S	*	*			cis	-164.8	153.8	-11.2	-21.1	0	0	0	0	113.9
1534	I	30.2	Very low	32.3	Very low	171.6 Å²	171.6	126.7 Å²	126.7	88%	0.88	73%	0.732	S	S	*	*			trans	100.7	129.6	143.6	-72.4	158.3	0	0	0	114.6
1535	G	32	Very low	32.4	Very low	70.8 Å²	70.8	124.9 Å²	124.9	73%	0.73	73%	0.732	S	S	*	*			trans	161.6	80	168.7	0	0	0	0	0	115.7
1536	N	31	Very low	32.3	Very low	149.8 Å²	149.8	126.8 Å²	126.8	80%	0.801	73%	0.732	S	S	*	*			trans	-91.8	146.1	154.9	-92	9	0	0	0	111.4	D1538	N1536-D1538 PolarHBondContact ND2-OD2 2.63Å
1537	P	37.4	Very low	32.3	Very low	108.2 Å²	108.2	126.2 Å²	126.2	70%	0.703	73%	0.732	S	S	*	*				-122.3	178.6	94.2	38.9	-24.7	0	0	0	113.3
1538	D	28.9	Very low	32.1	Very low	138 Å²	138	130.7 Å²	130.7	74%	0.738	74%	0.74	S	S	*	*			trans	121.8	152.7	143.7	-67.4	-36.5	0	0	0	117.8	N1270 N1536	N1270-D1538 PolarHBondContact ND2-OD1 3.1Å; N1270-D1538 PolarHBondContact OD1-OD1 3Å; N1536-D1538 PolarHBondContact ND2-OD2 2.63Å
1539	E	33.4	Very low	31.7	Very low	172.4 Å²	172.4	129.6 Å²	129.6	81%	0.806	74%	0.741	S	S	*	*			trans	58.8	134.8	166.1	-68.9	-167.3	154.1	0	0	117	N1269	N1269-E1539 WeakPolarHBondContact CA-OE2 3.29Å; N1269-E1539 PolarHBondContact N-OE2 2.95Å
1540	E	30.4	Very low	31.5	Very low	153.2 Å²	153.2	131.6 Å²	131.6	72%	0.716	75%	0.746	S	S	*	*				164.2	143.2	118.4	-99.1	-163.3	150.1	0	0	117.1	L1266 D1267 K1268	L1266-E1540 HydrophobicContact CD2-CB 3.65Å; L1266-E1540 HydrophobicContact CD2-CG 3.32Å; L1266-E1540 WeakPolarHBondContact CD2-OE1 3.48Å; D1267-E1540 VanDerWaalsContact C-OE1 3.24Å; D1267-E1540 WeakPolarHBondContact CA-OE1 3.23Å; D1267-E1540 PolarHBondContact N-OE1 3.06Å; K1268-E1540 WeakPolarHBondContact CA-OE1 3.29Å; K1268-E1540 VanDerWaalsContact CG-OE2 3.24Å; K1268-E1540 WeakPolarHBondContact CG-OE2 3.12Å; K1268-E1540 PolarHBondContact N-OE1 2.92Å; K1268-E1540 IonicContact NZ-OE2 2.81Å; K1268-E1540 PolarHBondContact NZ-OE2 3.33Å
1541	C	29.2	Very low	31.2	Very low	114.4 Å²	114.4	130.8 Å²	130.8	77%	0.773	74%	0.741	S	S	*	*			trans	-131.3	155.5	153.8	-74.7	0	0	0	0	113.2	L1266	L1266-C1541 HydrophobicContact CD2-CB 3.55Å; L1266-C1541 HydrophobicContact CG-CB 4.21Å
1542	P	35.3	Very low	30.8	Very low	102.8 Å²	102.8	132.9 Å²	132.9	67%	0.668	75%	0.745	S	S	*	*			trans	-119.2	164.2	179.5	36.1	-27.9	0	0	0	113.9	T1263 H1264	T1263-P1542 HydrophobicContact CG2-CB 4.42Å; T1263-P1542 HydrophobicContact CG2-CG 4.32Å; H1264-P1542 VanDerWaalsContact CE1-CD 3.41Å; H1264-P1542 WeakPolarHBondContact CE1-CD 3.43Å; H1264-P1542 PolarHBondContact CE1-O 3.2Å; H1264-P1542 WeakPolarHBondContact ND1-CD 3.25Å; H1264-P1542 WeakPolarHBondContact ND1-CG 3.45Å; H1264-P1542 PolarHBondContact NE2-O 2.97Å; H1264-P1542 VanDerWaalsContact NE2-O 3.08Å
1543	G	30.9	Very low	30.7	Very low	65 Å²	65	132.9 Å²	132.9	67%	0.67	75%	0.749	S	S	*	*				167.6	148	122.5	0	0	0	0	0	114.6
1544	T	31.7	Very low	30.4	Very low	131 Å²	131	132.7 Å²	132.7	80%	0.804	75%	0.748	S	S	*	*			trans	165.4	141.7	162.2	51.3	0	0	0	0	113.7
1545	S	30.4	Very low	30.3	Very low	109 Å²	109	132.2 Å²	132.2	76%	0.762	74%	0.742	S	S	*	*			trans	151	165.4	156.6	55.9	0	0	0	0	113.6
1546	E	32	Very low	30.1	Very low	155.2 Å²	155.2	137.2 Å²	137.2	73%	0.725	75%	0.746	S	S	*	*			trans	157.4	143	157.9	-95.3	-125.4	129.1	0	0	113.2	R1548	E1546-R1548 PolarHBondContact O-N 2.61Å
1547	Q	30.6	Very low	30	Very low	146.6 Å²	146.6	137.5 Å²	137.5	69%	0.685	74%	0.74	S	S	*	*			trans	55.3	120.8	160.5	-68.9	-178.2	31.2	0	0	114.7
1548	R	27.5	Very low	29.7	Very low	219.8 Å²	219.8	139.1 Å²	139.1	83%	0.829	74%	0.738	S	S	*	*				102	123.1	86.1	-130.8	176.3	176.7	150.4	-0.2	113.5	E1546	E1546-R1548 PolarHBondContact O-N 2.61Å
1549	C	27.3	Very low	29.8	Very low	100 Å²	100	140 Å²	140	68%	0.676	74%	0.738	S	S	*	*			trans	-145.5	146.8	149.3	-87.5	0	0	0	0	110.6
1550	Q	27.7	Very low	29.6	Very low	172 Å²	172	139.7 Å²	139.7	80%	0.804	73%	0.734	S	S	*	*				109.4	145.1	70.3	-67.7	-178.6	18.5	0	0	113.3
1551	L	28.7	Very low	29.7	Very low	142 Å²	142	138.5 Å²	138.5	74%	0.743	73%	0.732	S	S	*	*				111.8	126.4	119.2	-67.5	156.7	0	0	0	114
1552	N	25.4	Very low	29.8	Very low	137.2 Å²	137.2	137.9 Å²	137.9	73%	0.734	73%	0.729	S	S	*	*				174.9	151	57.5	-91	-22.6	0	0	0	113.9	S1554	N1552-S1554 PolarHBondContact OD1-OG 3.07Å
1553	V	30.4	Very low	29.5	Very low	138.8 Å²	138.8	140 Å²	140	84%	0.841	73%	0.734	S	S	*	*			trans	170.6	109.4	130.8	179.4	0	0	0	0	113.1
1554	S	27	Very low	29.3	Very low	88.4 Å²	88.4	147.6 Å²	147.6	62%	0.618	74%	0.743	S	S	*	*			trans	-67.6	132.6	158.1	54.6	0	0	0	0	116.7	N1552	N1552-S1554 PolarHBondContact OD1-OG 3.07Å
1555	H	29.9	Very low	29.3	Very low	162.6 Å²	162.6	148.3 Å²	148.3	75%	0.753	74%	0.74	S	S	*	*			trans	26.8	129.9	152.2	-89	-77.1	0	0	0	116.4	K1557	H1555-K1557 HydrophobicContact CB-CB 4.42Å; H1555-K1557 VanDerWaalsContact CB-N 3.34Å; H1555-K1557 WeakPolarHBondContact ND1-CB 3Å; H1555-K1557 PolarHBondContact ND1-N 3.14Å
1556	Q	27.3	Very low	29.2	Very low	174.2 Å²	174.2	148.5 Å²	148.5	81%	0.814	74%	0.737	S	S	*	*				158	137.6	117.1	-90.7	177.1	12.3	0	0	113
1557	K	28.6	Very low	29	Very low	156.4 Å²	156.4	147.2 Å²	147.2	68%	0.68	73%	0.734	S	S	*	*				-159.2	143	111.3	-116	-176.8	173.5	-118.3	0	113.5	H1555 Q1559	H1555-K1557 HydrophobicContact CB-CB 4.42Å; H1555-K1557 VanDerWaalsContact CB-N 3.34Å; H1555-K1557 WeakPolarHBondContact ND1-CB 3Å; H1555-K1557 PolarHBondContact ND1-N 3.14Å; K1557-Q1559 PolarHBondContact O-N 3.14Å
1558	E	32.1	Very low	28.9	Very low	141.4 Å²	141.4	148.2 Å²	148.2	66%	0.661	74%	0.736	S	S	*	*			trans	64.1	125	132.6	-93.1	153.9	-173.1	0	0	117.5
1559	Q	30.1	Very low	29	Very low	158.2 Å²	158.2	145 Å²	145	74%	0.739	74%	0.735	S	S	*	*			trans	69.7	149.9	139.2	-59.2	178.4	5.8	0	0	119.6	K1557	K1557-Q1559 PolarHBondContact O-N 3.14Å
1560	F	29.7	Very low	29	Very low	164.6 Å²	164.6	145.1 Å²	145.1	72%	0.722	74%	0.737	S	S	*	*				-156.6	144.5	96.8	-99.1	-87.7	0	0	0	111.9	V1686 N1687 N1688	F1560-V1686 HydrophobicContact CB-CB 3.77Å; F1560-V1686 HydrophobicContact CB-CG1 3.6Å; F1560-V1686 HydrophobicContact CD1-CG1 3.81Å; F1560-V1686 HydrophobicContact CD2-CB 4.44Å; F1560-V1686 HydrophobicContact CD2-CG1 3.88Å; F1560-V1686 HydrophobicContact CE1-CG1 4.44Å; F1560-V1686 HydrophobicContact CG-CB 4.14Å; F1560-V1686 HydrophobicContact CG-CG1 3.5Å; F1560-V1686 VanDerWaalsContact CG-CG1 3.5Å; F1560-N1687 VanDerWaalsContact C-OD1 3.3Å; F1560-N1687 WeakPolarHBondContact O-CA 3.45Å; F1560-N1687 PolarHBondContact O-OD1 3.13Å; F1560-N1687 VanDerWaalsContact O-OD1 3.09Å; F1560-N1688 PolarHBondContact O-N 3.06Å; F1560-N1688 VanDerWaalsContact O-N 3.09Å; F1560-N1688 PolarHBondContact O-OD1 3.29Å
1561	I	31.1	Very low	29	Very low	129.2 Å²	129.2	141.8 Å²	141.8	66%	0.663	73%	0.733	S	S	*	*				-157.3	151.9	88.9	-73.2	177.2	0	0	0	114.2	V1686 N1687	I1561-V1686 HydrophobicContact CB-CG1 4.08Å; I1561-V1686 HydrophobicContact CD1-CB 4.2Å; I1561-V1686 HydrophobicContact CD1-CG1 4.11Å; I1561-V1686 HydrophobicContact CD1-CG2 4.23Å; I1561-V1686 HydrophobicContact CG2-CG1 4.12Å; I1561-N1687 HydrophobicContact CD1-CB 4.38Å; I1561-N1687 HydrophobicContact CG1-CB 4.44Å; I1561-N1687 PolarHBondContact N-OD1 3.18Å
1562	S	31.4	Very low	29	Very low	101.8 Å²	101.8	143 Å²	143	71%	0.712	74%	0.739	S	S	*	*			trans	-124.3	138.8	147.1	-58.4	0	0	0	0	115.2
1563	N	29.2	Very low	29.2	Very low	147.4 Å²	147.4	141.5 Å²	141.5	79%	0.788	74%	0.74	S	S	*	*			trans	63.7	140	140.3	-74.3	-30.8	0	0	0	115.8
1564	R	27.6	Very low	29.4	Very low	223.4 Å²	223.4	140.3 Å²	140.3	84%	0.843	73%	0.734	S	S	*	*				153.7	149	109.7	-108.1	-178.5	-176.8	-171.2	1.3	112.8
1565	I	31.2	Very low	29.5	Very low	145.2 Å²	145.2	142.5 Å²	142.5	75%	0.745	74%	0.744	S	S	*	*			trans	95.5	151.5	147.3	-67	170.1	0	0	0	112.5	D1567	I1565-D1567 PolarHBondContact O-N 3.16Å
1566	V	28.3	Very low	29.5	Very low	114.8 Å²	114.8	139.6 Å²	139.6	70%	0.696	74%	0.743	S	S	*	*			trans	60.9	120	144.2	171.6	0	0	0	0	118.1	K1568	V1566-K1568 VanDerWaalsContact C-N 3.35Å; V1566-K1568 HydrophobicContact CG1-CB 3.46Å; V1566-K1568 VanDerWaalsContact CG1-CB 3.46Å; V1566-K1568 PolarHBondContact O-N 2.97Å; V1566-K1568 VanDerWaalsContact O-N 3.08Å
1567	D	27.1	Very low	29.6	Very low	126.4 Å²	126.4	138.3 Å²	138.3	68%	0.676	74%	0.74	S	S	*	*			trans	72.8	134.6	141.1	-95.2	-0.8	0	0	0	117.1	I1565	I1565-D1567 PolarHBondContact O-N 3.16Å
1568	K	29.4	Very low	29.8	Very low	167.4 Å²	167.4	138.4 Å²	138.4	73%	0.728	74%	0.743	S	S	*	*			trans	120.1	126.8	139	-99.9	166	-173.9	135.6	0	117.1	V1566 S1570	V1566-K1568 VanDerWaalsContact C-N 3.35Å; V1566-K1568 HydrophobicContact CG1-CB 3.46Å; V1566-K1568 VanDerWaalsContact CG1-CB 3.46Å; V1566-K1568 PolarHBondContact O-N 2.97Å; V1566-K1568 VanDerWaalsContact O-N 3.08Å; K1568-S1570 PolarHBondContact O-N 2.79Å
1569	L	28.6	Very low	29.6	Very low	153.4 Å²	153.4	136.6 Å²	136.6	80%	0.803	74%	0.741	S	S	*	*				21.7	118.3	122.9	-81.4	162.4	0	0	0	115.4
1570	S	28.1	Very low	29.9	Very low	103 Å²	103	134.5 Å²	134.5	72%	0.72	74%	0.741	S	S	*	*			trans	101	137.4	135.7	26.1	0	0	0	0	117.2	K1568	K1568-S1570 PolarHBondContact O-N 2.79Å
1571	S	28.8	Very low	29.9	Very low	103 Å²	103	131.6 Å²	131.6	72%	0.72	74%	0.741	S	S	*	*				115.6	145	114.9	64.7	0	0	0	0	114.2
1572	L	28.7	Very low	30.1	Very low	165.4 Å²	165.4	131 Å²	131	87%	0.866	75%	0.746	S	S	*	*				170.8	122.4	92.1	-83.7	162.5	0	0	0	113.7
1573	S	27.9	Very low	30.3	Very low	106.8 Å²	106.8	131.8 Å²	131.8	75%	0.747	75%	0.749	S	S	*	*			trans	-145.7	163.2	139.6	52.9	0	0	0	0	111.7
1574	P	34.7	Very low	30.3	Very low	112.4 Å²	112.4	132.7 Å²	132.7	73%	0.73	75%	0.75	S	S	*	*				-133	168.6	112.4	39	-23.4	0	0	0	115.5
1575	T	29.3	Very low	30.4	Very low	135 Å²	135	129.6 Å²	129.6	83%	0.828	75%	0.749	S	S	*	*			trans	153.7	149.8	145.9	50	0	0	0	0	114.2
1576	S	30.5	Very low	30.3	Very low	102.8 Å²	102.8	127.1 Å²	127.1	72%	0.719	75%	0.745	S	S	*	*			trans	163.8	145.2	136.9	114.9	0	0	0	0	114.8
1577	I	30.2	Very low	30.4	Very low	146.6 Å²	146.6	129.4 Å²	129.4	75%	0.752	75%	0.753	S	S	*	*				85.6	137.7	100.2	-64.6	169.5	0	0	0	115.1
1578	H	31.7	Very low	30.5	Very low	159 Å²	159	127.4 Å²	127.4	74%	0.736	75%	0.753	S	S	*	*				145.3	132.4	107.6	-109.2	-66.6	0	0	0	116.5	L1323	L1323-H1578 WeakPolarHBondContact CD2-O 3.35Å
1579	T	28.2	Very low	30.6	Very low	103.2 Å²	103.2	127 Å²	127	63%	0.633	76%	0.759	S	S	*	*			trans	-56.5	149.1	134.2	55.3	0	0	0	0	114.4	L1323 H1324	L1323-T1579 HydrophobicContact CD2-CG2 4.03Å; H1324-T1579 WeakPolarHBondContact CE1-CB 3.23Å
1580	P	35.7	Very low	30.6	Very low	113.8 Å²	113.8	122.6 Å²	122.6	74%	0.739	75%	0.751	S	S	*	*			trans	-119.9	163.1	140.7	37	-27.8	0	0	0	114.1	H1324	H1324-P1580 VanDerWaalsContact CE1-N 3.32Å; H1324-P1580 PolarHBondContact CE1-O 3.15Å; H1324-P1580 VanDerWaalsContact NE2-CD 3.26Å; H1324-P1580 WeakPolarHBondContact NE2-CD 3.48Å; H1324-P1580 PolarHBondContact NE2-O 3.5Å; H1324-P1580 VanDerWaalsContact NE2-O 3.08Å
1581	S	29.8	Very low	30.7	Very low	102.8 Å²	102.8	125.6 Å²	125.6	72%	0.719	76%	0.758	S	S	*	*			trans	120.8	145.8	137.8	-58.8	0	0	0	0	114.2	H1324	H1324-S1581 PolarHBondContact CE1-N 3.24Å
1582	P	35.8	Very low	30.7	Very low	117.6 Å²	117.6	125.4 Å²	125.4	76%	0.764	76%	0.757	S	S	*	*			trans	-99.8	-178.7	160.7	37.7	-28.8	0	0	0	111.8
1583	P	36.4	Very low	30.8	Very low	118.6 Å²	118.6	122.8 Å²	122.8	77%	0.77	75%	0.748	S	S	*	*			cis	-119.4	175.1	22.9	38.9	-27.8	0	0	0	114.2
1584	M	27.8	Very low	31	Very low	166.6 Å²	166.6	124.2 Å²	124.2	82%	0.821	75%	0.747	S	S	*	*			trans	-138.2	142.8	165.8	-71.3	-151.3	76.2	0	0	112.3
1585	L	30	Very low	30.8	Very low	157.4 Å²	157.4	124.6 Å²	124.6	82%	0.824	74%	0.743	S	S	*	*			trans	168.9	121	135.7	-72.9	172.2	0	0	0	112.4
1586	S	28.7	Very low	31.1	Very low	93.4 Å²	93.4	124.5 Å²	124.5	65%	0.653	74%	0.736	S	S	*	*				93.3	132.6	111.5	131	0	0	0	0	115.5
1587	L	30.3	Very low	31.1	Very low	163.4 Å²	163.4	126.2 Å²	126.2	86%	0.855	74%	0.737	S	S	*	*			trans	94.7	138.6	142	-69.9	127	0	0	0	115.5
1588	A	30.7	Very low	31	Very low	83.6 Å²	83.6	126.4 Å²	126.4	69%	0.691	74%	0.739	S	S	*	*			trans	-133.4	134.7	138	0	0	0	0	0	110.7
1589	D	29.8	Very low	31.3	Very low	158.6 Å²	158.6	123.6 Å²	123.6	85%	0.848	74%	0.735	S	S	*	*			trans	7.8	146.3	145.8	-65.6	-34.5	0	0	0	118.8
1590	G	30.1	Very low	31.4	Very low	61.8 Å²	61.8	124.7 Å²	124.7	64%	0.637	74%	0.741	S	S	*	*			trans	150.4	109.7	164.7	0	0	0	0	0	116.8	K1403 E1404	K1403-G1590 PolarHBondContact NZ-O 3.25Å; E1404-G1590 VanDerWaalsContact CD-N 3.34Å; E1404-G1590 VanDerWaalsContact OE1-C 3.23Å; E1404-G1590 VanDerWaalsContact OE2-C 3.32Å; E1404-G1590 WeakPolarHBondContact OE2-CA 3.31Å; E1404-G1590 PolarHBondContact OE2-N 3.35Å
1591	L	28.8	Very low	31.2	Very low	165.2 Å²	165.2	123.7 Å²	123.7	87%	0.865	74%	0.737	S	S	*	*			trans	72.3	124	138.4	-68.3	179.3	0	0	0	117.5	K1403 E1404 T1593	K1403-L1591 PolarHBondContact NZ-O 3Å; E1404-L1591 VanDerWaalsContact CD-N 3.32Å; E1404-L1591 PolarHBondContact OE1-N 3.43Å; E1404-L1591 VanDerWaalsContact OE1-N 3.17Å; E1404-L1591 PolarHBondContact OE2-N 3.17Å; L1591-T1593 HydrophobicContact CB-CG2 4.03Å; L1591-T1593 HydrophobicContact CD1-CG2 4.18Å; L1591-T1593 HydrophobicContact CD2-CG2 3.77Å; L1591-T1593 HydrophobicContact CG-CG2 4.19Å
1592	S	29.3	Very low	31.2	Very low	99.8 Å²	99.8	125.9 Å²	125.9	70%	0.698	74%	0.74	S	S	*	*			trans	166.6	127.8	146.4	64.7	0	0	0	0	112.4
1593	T	30.5	Very low	31	Very low	109.6 Å²	109.6	126.4 Å²	126.4	67%	0.672	74%	0.737	S	S	*	*				78.4	123.9	61.6	57.7	0	0	0	0	114	L1591	L1591-T1593 HydrophobicContact CB-CG2 4.03Å; L1591-T1593 HydrophobicContact CD1-CG2 4.18Å; L1591-T1593 HydrophobicContact CD2-CG2 3.77Å; L1591-T1593 HydrophobicContact CG-CG2 4.19Å
1594	N	32.6	Very low	30.7	Very low	137.6 Å²	137.6	127.2 Å²	127.2	74%	0.736	73%	0.734	S	S	*	*			trans	105.6	148.3	132.7	-65.9	9	0	0	0	112.1
1595	D	31.4	Very low	30.8	Very low	119.8 Å²	119.8	126.2 Å²	126.2	64%	0.641	73%	0.731	S	S	*	*			cis	-178.9	150.9	8.3	-101.4	-24.5	0	0	0	109.2
1596	I	34	Very low	31	Very low	132.8 Å²	132.8	126 Å²	126	68%	0.681	73%	0.729	S	S	*	*				70.8	127.8	122.7	-74.9	162	0	0	0	114.1
1597	D	30.8	Very low	31.2	Very low	138.4 Å²	138.4	126.6 Å²	126.6	74%	0.74	73%	0.733	S	S	*	*				-166.4	153.7	65.4	-115.9	-21.4	0	0	0	114.8
1598	L	28.9	Very low	31.3	Very low	152 Å²	152	123.3 Å²	123.3	80%	0.796	72%	0.724	S	S	*	*			trans	-100.2	176.8	143.8	-103.1	75	0	0	0	113
1599	P	38.4	Very low	31.3	Very low	100 Å²	100	125.8 Å²	125.8	65%	0.649	73%	0.725	S	S	*	*				-131.6	-166.2	-59.4	39.3	-22.9	0	0	0	113.3
1600	T	30	Very low	31.5	Very low	125.4 Å²	125.4	125.6 Å²	125.6	77%	0.769	72%	0.719	S	S	*	*			trans	87.7	127.8	156.1	20.7	0	0	0	0	118.1
1601	S	31.3	Very low	31.5	Very low	93 Å²	93	128.8 Å²	128.8	65%	0.65	72%	0.721	S	S	*	*				101.1	151.6	101.2	58.3	0	0	0	0	117.1
1602	L	30	Very low	31.6	Very low	149.4 Å²	149.4	127.4 Å²	127.4	78%	0.782	72%	0.715	S	S	*	*			trans	75.8	142.1	143.1	-78.1	125.8	0	0	0	115.6
1603	N	31.7	Very low	31.8	Very low	129 Å²	129	130.2 Å²	130.2	69%	0.69	72%	0.717	S	S	*	*				157.6	158.4	73.8	-92.4	9.7	0	0	0	114.8
1604	D	28.6	Very low	31.8	Very low	133.6 Å²	133.6	131.5 Å²	131.5	71%	0.714	72%	0.72	S	S	*	*			trans	-142.6	163.8	157.8	-96	-37.3	0	0	0	114
1605	I	31.5	Very low	31.7	Very low	146.4 Å²	146.4	129.8 Å²	129.8	75%	0.751	72%	0.719	S	S	*	*			trans	91.3	119.9	150.6	-65	168.7	0	0	0	115.8
1606	I	33.2	Very low	31.6	Very low	152.6 Å²	152.6	131.3 Å²	131.3	78%	0.783	73%	0.727	S	S	*	*				97.4	140.9	104.4	-50.1	-172	0	0	0	116.7
1607	S	32.9	Very low	31.5	Very low	105.6 Å²	105.6	129.7 Å²	129.7	74%	0.738	73%	0.727	S	S	*	*			trans	108.2	128.7	154.2	-60.8	0	0	0	0	117.6
1608	S	33.6	Very low	31.4	Very low	95 Å²	95	129.4 Å²	129.4	66%	0.664	73%	0.726	S	S	*	*				86.2	122.6	104.7	19.3	0	0	0	0	117.6
1609	N	30	Very low	31.4	Very low	136.2 Å²	136.2	128.6 Å²	128.6	73%	0.728	72%	0.722	S	S	*	*				77.8	139.1	128.1	-69	-8.2	0	0	0	121.1
1610	H	33.8	Very low	31	Very low	153.6 Å²	153.6	129.7 Å²	129.7	71%	0.711	73%	0.727	S	S	*	*				111.7	121.2	115.2	-89.3	-50.4	0	0	0	116.2
1611	N	29.4	Very low	31	Very low	129.2 Å²	129.2	130.4 Å²	130.4	69%	0.691	72%	0.724	S	S	*	*				66.8	128.4	121.4	-76	10.1	0	0	0	119.6
1612	N	30.8	Very low	30.8	Very low	136.4 Å²	136.4	129.6 Å²	129.6	73%	0.729	72%	0.719	S	S	*	*			trans	77.6	134.8	141.5	-66.5	-1.6	0	0	0	121.1	N1614	N1612-N1614 PolarHBondContact O-N 3.36Å
1613	H	33.9	Very low	30.7	Very low	159.2 Å²	159.2	130.5 Å²	130.5	74%	0.737	72%	0.717	S	S	*	*			trans	-140.3	134.3	147.1	-92.1	-59.8	0	0	0	115.7
1614	N	30.4	Very low	30.5	Very low	136.2 Å²	136.2	130.5 Å²	130.5	73%	0.728	72%	0.716	S	S	*	*			trans	39	138.4	138.5	-73.4	-0.9	0	0	0	117.8	N1612	N1612-N1614 PolarHBondContact O-N 3.36Å
1615	S	31.6	Very low	30.5	Very low	103 Å²	103	128.2 Å²	128.2	72%	0.72	71%	0.71	S	S	*	*				137	137.7	107.6	6.3	0	0	0	0	113.3
1616	N	28.7	Very low	30.4	Very low	150.4 Å²	150.4	129.4 Å²	129.4	80%	0.804	71%	0.71	S	S	*	*			trans	-2.6	152.5	145.4	-79.7	-1.1	0	0	0	115.6
1617	S	31.5	Very low	30.2	Very low	98.8 Å²	98.8	126.2 Å²	126.2	69%	0.691	70%	0.7	S	S	*	*				131.2	143.1	126.7	50.8	0	0	0	0	112.9
1618	D	30.2	Very low	29.9	Very low	133 Å²	133	128.6 Å²	128.6	71%	0.711	70%	0.7	S	S	*	*				157.4	155.2	71.2	-100.4	-30.7	0	0	0	114.8
1619	N	28.7	Very low	29.8	Very low	135.4 Å²	135.4	132.1 Å²	132.1	72%	0.724	71%	0.705	S	S	*	*			trans	62.2	139.8	158.3	-66	-57.8	0	0	0	117.9
1620	T	30	Very low	29.7	Very low	122 Å²	122	130.1 Å²	130.1	75%	0.748	70%	0.702	S	S	*	*			trans	115.1	125.3	138.8	40	0	0	0	0	115.9
1621	I	29.3	Very low	29.6	Very low	139.8 Å²	139.8	131.6 Å²	131.6	72%	0.717	71%	0.707	S	S	*	*				72.6	108.5	120.8	-68.1	164.2	0	0	0	113.1	N2570	I1621-N2570 HydrophobicContact CG2-CB 3.46Å; I1621-N2570 VanDerWaalsContact CG2-CB 3.46Å
1622	S	27.1	Very low	29.7	Very low	76.4 Å²	76.4	128.7 Å²	128.7	53%	0.534	71%	0.708	S	S	.	*				74.8	145.2	98.9	65.3	0	0	0	0	116.3	S2568 S2569	S1622-S2568 WeakPolarHBondContact CA-O 3.24Å; S1622-S2568 WeakPolarHBondContact CB-O 3.18Å; S1622-S2569 WeakPolarHBondContact CB-O 3.43Å; S1622-S2569 WeakPolarHBondContact CB-OG 3.35Å
1623	F	27.8	Very low	29.7	Very low	168.2 Å²	168.2	131 Å²	131	74%	0.738	71%	0.711	S	S	*	*				-173.2	136.7	77.5	-90.2	-78.5	0	0	0	115.5	S1625 E2567 S2568 S2569	F1623-S1625 PolarHBondContact O-N 2.9Å; F1623-E2567 PolarHBondContact N-OE1 2.37Å; F1623-E2567 VanDerWaalsContact O-CD 3.28Å; F1623-E2567 WeakPolarHBondContact O-CG 2.94Å; F1623-S2568 WeakPolarHBondContact CA-O 3.38Å; F1623-S2569 WeakPolarHBondContact CE1-O 3.22Å
1624	I	28.3	Very low	29.5	Very low	129.4 Å²	129.4	130.3 Å²	130.3	66%	0.664	71%	0.708	S	S	*	*			trans	37.8	117.2	142.6	-62.6	170	0	0	0	117.4	S2568	I1624-S2568 VanDerWaalsContact CG1-CA 3.42Å
1625	S	29.1	Very low	29.5	Very low	84.4 Å²	84.4	129.8 Å²	129.8	59%	0.59	71%	0.705	S	S	*	*			trans	115.2	126.6	136.9	-72	0	0	0	0	116.7	F1623 L2565 S2566	F1623-S1625 PolarHBondContact O-N 2.9Å; S1625-L2565 VanDerWaalsContact CB-CD2 3.49Å; S1625-S2566 WeakPolarHBondContact CA-OG 3.06Å; S1625-S2566 WeakPolarHBondContact CB-OG 3.38Å; S1625-S2566 PolarHBondContact N-OG 3.14Å; S1625-S2566 WeakPolarHBondContact OG-CB 3.39Å; S1625-S2566 PolarHBondContact OG-OG 3.11Å
1626	K	27.8	Very low	29.6	Very low	173.2 Å²	173.2	131.2 Å²	131.2	75%	0.753	71%	0.705	S	S	*	*				82.3	111.4	98.7	-79.4	168.1	-177.9	176.9	0	115.3	D2562 D2563 L2565	K1626-D2562 PolarHBondContact N-OD1 3.13Å; K1626-D2563 VanDerWaalsContact C-OD1 3.26Å; K1626-D2563 VanDerWaalsContact O-OD1 3.05Å; K1626-L2565 HydrophobicContact CG-CD2 4.49Å
1627	S	28.6	Very low	29.7	Very low	83.8 Å²	83.8	130.9 Å²	130.9	59%	0.586	70%	0.703	S	S	*	*				108	135.5	87.7	67.7	0	0	0	0	116.6	D2563	S1627-D2563 PolarHBondContact N-OD1 2.91Å; S1627-D2563 VanDerWaalsContact O-CG 3.3Å
1628	H	28.2	Very low	29.7	Very low	157.6 Å²	157.6	137.1 Å²	137.1	73%	0.73	71%	0.711	S	S	*	*			trans	52	127.5	163.4	-64.5	-81.3	0	0	0	115.8
1629	H	30	Very low	29.8	Very low	167.6 Å²	167.6	136.1 Å²	136.1	78%	0.776	71%	0.712	S	S	*	*				-179.9	142.3	95.6	-88.3	-58	0	0	0	112.1	F1631	H1629-F1631 AromaticContact CE1-CE2 3.85Å; H1629-F1631 AromaticContact ND1-CD2 3.69Å; H1629-F1631 AromaticContact ND1-CE2 3.78Å
1630	S	29	Very low	30.1	Very low	93.6 Å²	93.6	135 Å²	135	66%	0.655	71%	0.712	S	S	*	*			cis	121.4	120.4	42.1	-93.5	0	0	0	0	114.7
1631	F	30.9	Very low	30.4	Very low	185.2 Å²	185.2	134.7 Å²	134.7	81%	0.812	71%	0.712	S	S	*	*			trans	52.4	133.9	132.7	-72.5	-85.2	0	0	0	116.3	H1629	H1629-F1631 AromaticContact CE1-CE2 3.85Å; H1629-F1631 AromaticContact ND1-CD2 3.69Å; H1629-F1631 AromaticContact ND1-CE2 3.78Å
1632	G	30.9	Very low	30.3	Very low	69.4 Å²	69.4	133.5 Å²	133.5	72%	0.715	72%	0.715	S	S	*	*			cis	146.7	130.8	28	0	0	0	0	0	112.6
1633	K	32	Very low	30.2	Very low	184 Å²	184	137.4 Å²	137.4	80%	0.8	73%	0.729	S	S	*	*			cis	-167	143	47.6	-94.4	173.5	179.2	-150.6	0	110.4
1634	E	28.8	Very low	30.2	Very low	144 Å²	144	134.3 Å²	134.3	67%	0.673	73%	0.728	S	S	*	*				39.5	136.9	95.4	-84.8	-165.9	142.6	0	0	115.3
1635	L	32.1	Very low	30.1	Very low	126.4 Å²	126.4	135 Å²	135	66%	0.662	73%	0.732	S	S	*	*				178.5	159.9	99.2	-90.5	171.2	0	0	0	112.4	N1637	L1635-N1637 PolarHBondContact O-N 2.94Å
1636	N	31.9	Very low	30	Very low	133.2 Å²	133.2	140.3 Å²	140.3	71%	0.712	74%	0.741	S	S	*	*			trans	79.8	114.1	157.7	-67.8	-29	0	0	0	117.3
1637	N	31.9	Very low	30.2	Very low	143.6 Å²	143.6	138.2 Å²	138.2	77%	0.768	74%	0.738	S	S	*	*				164	122.6	123	-93.5	-41.6	0	0	0	116	L1635 P1639	L1635-N1637 PolarHBondContact O-N 2.94Å; N1637-P1639 WeakPolarHBondContact O-CD 3.13Å
1638	R	30.7	Very low	30.3	Very low	229.8 Å²	229.8	139.3 Å²	139.3	87%	0.867	75%	0.745	S	S	*	*			trans	15.4	150.6	156.1	-102	-169.3	169.5	-167.4	-2	117.5
1639	P	33.4	Very low	30.4	Very low	111.4 Å²	111.4	134.9 Å²	134.9	72%	0.723	74%	0.743	S	S	*	*			trans	-120.4	-156.8	-158.3	40.5	-22.9	0	0	0	111.4	N1637	N1637-P1639 WeakPolarHBondContact O-CD 3.13Å
1640	P	35.2	Very low	30.4	Very low	112.2 Å²	112.2	134.5 Å²	134.5	73%	0.729	75%	0.746	S	S	*	*				-109.9	-157.9	-87	34.8	-16.5	0	0	0	112.8	C1642	P1640-C1642 PolarHBondContact O-N 3.4Å
1641	P	34.9	Very low	30.5	Very low	115.2 Å²	115.2	137 Å²	137	75%	0.748	75%	0.751	S	S	*	*			trans	-115.5	167	172.9	38.7	-23.7	0	0	0	113.8
1642	C	27	Very low	30.4	Very low	114.6 Å²	114.6	133.9 Å²	133.9	77%	0.774	75%	0.746	S	S	*	*			trans	-163.5	140.1	166.4	-81.6	0	0	0	0	113.2	P1640	P1640-C1642 PolarHBondContact O-N 3.4Å
1643	L	26	Very low	30.3	Very low	158 Å²	158	136.6 Å²	136.6	83%	0.827	75%	0.749	S	S	*	*			trans	67.6	132.4	130.5	-71.6	169.4	0	0	0	117
1644	S	26.5	Very low	30.1	Very low	102.8 Å²	102.8	136.1 Å²	136.1	72%	0.719	75%	0.749	S	S	*	*			trans	73.7	145	141.1	68.4	0	0	0	0	119.2
1645	L	26.5	Very low	30.1	Very low	144 Å²	144	134.1 Å²	134.1	75%	0.754	75%	0.751	S	S	*	*				121.6	145.6	57.4	-93.3	167.5	0	0	0	114
1646	Y	28.6	Very low	30	Very low	197.2 Å²	197.2	137.3 Å²	137.3	77%	0.773	76%	0.76	S	S	*	*			trans	57.6	145.6	162.6	-67.3	-80.4	0	0	0	117.1
1647	D	30.3	Very low	29.9	Very low	129.6 Å²	129.6	135.6 Å²	135.6	69%	0.693	76%	0.758	S	S	*	*			cis	-158.5	169.9	15.9	-123.1	-28.6	0	0	0	113.1
1648	S	31.2	Very low	29.9	Very low	105.4 Å²	105.4	135.5 Å²	135.5	74%	0.737	76%	0.758	S	S	*	*			trans	-89.1	137.3	166	-46	0	0	0	0	113.8
1649	G	29.5	Very low	29.8	Very low	65.8 Å²	65.8	131.7 Å²	131.7	68%	0.678	75%	0.754	S	S	*	*			cis	142	152.3	8.4	0	0	0	0	0	113.6
1650	L	30.2	Very low	29.7	Very low	159.8 Å²	159.8	131.6 Å²	131.6	84%	0.837	76%	0.756	S	S	*	*			trans	129.1	141.1	171.1	-87.5	123.4	0	0	0	111.3
1651	L	31.6	Very low	29.4	Very low	146.2 Å²	146.2	131.3 Å²	131.3	77%	0.765	76%	0.757	S	S	*	*			cis	-155.2	149.7	40.5	-82.5	154.9	0	0	0	111.6
1652	V	28.5	Very low	29.1	Very low	118.4 Å²	118.4	133.2 Å²	133.2	72%	0.718	76%	0.758	S	S	*	*				63.5	104.9	81.4	173.8	0	0	0	0	113.3
1653	V	29.2	Very low	29.2	Very low	127.2 Å²	127.2	134.2 Å²	134.2	77%	0.771	76%	0.755	S	S	*	*			trans	-165.4	126.1	130.1	173.2	0	0	0	0	112.6
1654	H	28.3	Very low	29.3	Very low	173.6 Å²	173.6	131.2 Å²	131.2	80%	0.804	75%	0.747	S	S	*	*			trans	28.4	150	159	-72.5	-90.8	0	0	0	117
1655	S	28.7	Very low	29.6	Very low	100.8 Å²	100.8	133.9 Å²	133.9	71%	0.705	75%	0.753	S	S	*	*				-155.8	150.1	112.1	-45.1	0	0	0	0	112.2
1656	K	29.6	Very low	29.7	Very low	195.2 Å²	195.2	131.7 Å²	131.7	85%	0.849	75%	0.75	S	S	*	*			trans	161.5	151.4	140.5	-84.9	-178.4	179.7	-176	0	113.1
1657	S	30.5	Very low	29.9	Very low	96.4 Å²	96.4	127.3 Å²	127.3	67%	0.674	75%	0.748	S	S	*	*			trans	-160.9	151.6	175.6	48	0	0	0	0	113.4
1658	D	30.9	Very low	29.8	Very low	142.8 Å²	142.8	126.4 Å²	126.4	76%	0.764	75%	0.752	S	S	*	*				-171.7	151.2	123.4	-67.4	-40.7	0	0	0	111.5
1659	D	29.3	Very low	30.1	Very low	149.6 Å²	149.6	126.8 Å²	126.8	80%	0.8	75%	0.752	S	S	*	*				73.1	149.3	117.2	-104.2	-12.1	0	0	0	119.4
1660	S	30.3	Very low	30.1	Very low	109.2 Å²	109.2	128.7 Å²	128.7	76%	0.764	76%	0.755	S	S	*	*			trans	116.6	138.6	148.5	64.2	0	0	0	0	117
1661	S	29.5	Very low	30.1	Very low	105.6 Å²	105.6	126.1 Å²	126.1	74%	0.738	75%	0.75	S	S	*	*			cis	-165.6	150.1	-10.4	65.1	0	0	0	0	114.3
1662	M	29.3	Very low	30.1	Very low	155.6 Å²	155.6	124.1 Å²	124.1	77%	0.767	75%	0.748	S	S	*	*			trans	60.5	129.8	155.1	-61.7	-74.7	129.8	0	0	120.6
1663	N	28.9	Very low	30.2	Very low	134 Å²	134	123.4 Å²	123.4	72%	0.717	75%	0.749	S	S	*	*			trans	92.7	130.9	130.9	-76.6	-11.7	0	0	0	120.7
1664	S	29	Very low	30.3	Very low	95.2 Å²	95.2	122.1 Å²	122.1	67%	0.666	75%	0.745	S	S	*	*				91.5	144.8	117.3	60	0	0	0	0	119.5
1665	L	30.8	Very low	30.3	Very low	160.2 Å²	160.2	120.8 Å²	120.8	84%	0.839	74%	0.744	S	S	*	*			trans	104.8	137.8	133.5	-81.6	155.7	0	0	0	116
1666	S	30.3	Very low	30.4	Very low	98.2 Å²	98.2	120.2 Å²	120.2	69%	0.687	74%	0.74	S	S	*	*				110.8	143.3	108.4	61.1	0	0	0	0	117.5
1667	S	31.5	Very low	30.4	Very low	105 Å²	105	117.5 Å²	117.5	73%	0.734	74%	0.74	S	S	*	*				76.2	119.8	119.3	49.4	0	0	0	0	117.9
1668	S	29	Very low	30.4	Very low	110.2 Å²	110.2	116.8 Å²	116.8	77%	0.771	74%	0.74	S	S	*	*				25.5	166.5	103.1	-48.3	0	0	0	0	115.8
1669	P	37.5	Very low	30.3	Very low	114.2 Å²	114.2	119.1 Å²	119.1	74%	0.742	74%	0.743	S	S	*	*			cis	-125.4	-173.3	-38.2	40.8	-26.5	0	0	0	114.6
1670	S	30.2	Very low	30.3	Very low	105.6 Å²	105.6	115.8 Å²	115.8	74%	0.738	74%	0.737	S	S	*	*			trans	114	141.8	132	52.1	0	0	0	0	118.9
1671	S	29.2	Very low	30.3	Very low	105 Å²	105	116.3 Å²	116.3	73%	0.734	74%	0.735	S	S	*	*				158.3	159	117.5	62.7	0	0	0	0	115.8
1672	S	30.7	Very low	30.2	Very low	103.6 Å²	103.6	117.6 Å²	117.6	72%	0.724	73%	0.733	S	S	*	*			trans	98.1	141.9	145.7	45.7	0	0	0	0	115.4
1673	S	30.7	Very low	30.1	Very low	105.2 Å²	105.2	114.6 Å²	114.6	74%	0.736	73%	0.727	S	S	*	*				63.5	140.4	86.4	64	0	0	0	0	115.5
1674	S	31.1	Very low	30.1	Very low	98.6 Å²	98.6	112.3 Å²	112.3	69%	0.69	72%	0.721	S	S	*	*			cis	150.6	148.3	19.4	14.8	0	0	0	0	113.3
1675	D	29.1	Very low	30.1	Very low	146.2 Å²	146.2	111.9 Å²	111.9	78%	0.782	72%	0.718	S	S	*	*			trans	79.4	156.3	134.9	-78.1	-44.6	0	0	0	119.7
1676	S	30.1	Very low	30.2	Very low	89 Å²	89	108.8 Å²	108.8	62%	0.622	71%	0.706	S	S	*	*			cis	152.5	144.4	-48.3	16.1	0	0	0	0	114.9
1677	T	30.5	Very low	30.1	Very low	137.8 Å²	137.8	109.6 Å²	109.6	85%	0.845	70%	0.702	S	S	*	*			trans	89.5	151.5	147.1	63.8	0	0	0	0	119.1
1678	A	29.3	Very low	29.9	Very low	82.6 Å²	82.6	110.6 Å²	110.6	68%	0.683	70%	0.7	S	S	*	*			cis	150.5	131.7	-41.2	0	0	0	0	0	115
1679	K	30.6	Very low	30	Very low	190.6 Å²	190.6	111.5 Å²	111.5	83%	0.829	70%	0.695	S	S	*	*			trans	83.3	135.8	155.4	-68.6	168.7	179.6	-179.5	0	115.6
1680	A	27.7	Very low	29.5	Very low	80.6 Å²	80.6	113.4 Å²	113.4	67%	0.666	69%	0.694	S	S	*	*			cis	151.3	164.5	29.7	0	0	0	0	0	113.5
1681	V	31.1	Very low	29.4	Very low	118.4 Å²	118.4	112.9 Å²	112.9	72%	0.718	69%	0.689	S	S	*	*			trans	89.2	129.9	168.4	-174.4	0	0	0	0	114.8
1682	D	27.4	Very low	29.5	Very low	132.8 Å²	132.8	113.4 Å²	113.4	71%	0.71	69%	0.688	S	S	*	*				56.5	146.4	113.6	-69.2	-35	0	0	0	117.4
1683	C	27	Very low	29.3	Very low	93.4 Å²	93.4	114.7 Å²	114.7	63%	0.631	68%	0.682	S	S	*	*			cis	-179.4	162.9	49.8	-121.7	0	0	0	0	115.9
1684	S	28.4	Very low	29.3	Very low	86.4 Å²	86.4	116.8 Å²	116.8	60%	0.604	68%	0.68	S	S	*	*			trans	52.6	123.6	148.5	64.6	0	0	0	0	120.9
1685	S	30.1	Very low	29.2	Very low	86.2 Å²	86.2	117.6 Å²	117.6	60%	0.603	67%	0.672	S	S	*	*				74.7	150.2	106.4	-6.6	0	0	0	0	117.2
1686	V	32.4	Very low	29.2	Very low	94.4 Å²	94.4	120.2 Å²	120.2	57%	0.572	67%	0.673	S	S	*	*			cis	-147	0	9.4	176.5	0	0	0	0	111.2	F1560 I1561	F1560-V1686 HydrophobicContact CB-CB 3.77Å; F1560-V1686 HydrophobicContact CB-CG1 3.6Å; F1560-V1686 HydrophobicContact CD1-CG1 3.81Å; F1560-V1686 HydrophobicContact CD2-CB 4.44Å; F1560-V1686 HydrophobicContact CD2-CG1 3.88Å; F1560-V1686 HydrophobicContact CE1-CG1 4.44Å; F1560-V1686 HydrophobicContact CG-CB 4.14Å; F1560-V1686 HydrophobicContact CG-CG1 3.5Å; F1560-V1686 VanDerWaalsContact CG-CG1 3.5Å; I1561-V1686 HydrophobicContact CB-CG1 4.08Å; I1561-V1686 HydrophobicContact CD1-CB 4.2Å; I1561-V1686 HydrophobicContact CD1-CG1 4.11Å; I1561-V1686 HydrophobicContact CD1-CG2 4.23Å; I1561-V1686 HydrophobicContact CG2-CG1 4.12Å
1687	N	28.2	Very low	29.1	Very low	115 Å²	115	122.8 Å²	122.8	62%	0.615	68%	0.675	S	S	*	*				0	139.5	0	-63.9	-13.7	0	0	0	120.3	F1560 I1561	F1560-N1687 VanDerWaalsContact C-OD1 3.3Å; F1560-N1687 WeakPolarHBondContact O-CA 3.45Å; F1560-N1687 PolarHBondContact O-OD1 3.13Å; F1560-N1687 VanDerWaalsContact O-OD1 3.09Å; I1561-N1687 HydrophobicContact CD1-CB 4.38Å; I1561-N1687 HydrophobicContact CG1-CB 4.44Å; I1561-N1687 PolarHBondContact N-OD1 3.18Å
1688	N	28.6	Very low	29.1	Very low	127 Å²	127	124 Å²	124	68%	0.679	68%	0.675	S	S	*	*				-123.9	155.8	114.4	-85.4	-16.1	0	0	0	116.2	F1560	F1560-N1688 PolarHBondContact O-N 3.06Å; F1560-N1688 VanDerWaalsContact O-N 3.09Å; F1560-N1688 PolarHBondContact O-OD1 3.29Å
1689	L	29.2	Very low	29	Very low	129.4 Å²	129.4	123.2 Å²	123.2	68%	0.677	68%	0.675	S	S	*	*				53.1	153.2	65.4	-107	70.2	0	0	0	113.9
1690	H	27.8	Very low	28.8	Very low	154.4 Å²	154.4	120.1 Å²	120.1	72%	0.715	68%	0.676	S	S	*	*			cis	-153.8	162.1	42.3	-152	-118.8	0	0	0	113.3	V1692	H1690-V1692 VanDerWaalsContact CD2-CB 3.49Å; H1690-V1692 WeakPolarHBondContact CD2-CB 3.4Å; H1690-V1692 WeakPolarHBondContact CD2-CG2 3.5Å; H1690-V1692 WeakPolarHBondContact NE2-CB 3.43Å; H1690-V1692 WeakPolarHBondContact NE2-CG2 3.37Å
1691	C	27.4	Very low	28.9	Very low	94.6 Å²	94.6	123.6 Å²	123.6	64%	0.639	68%	0.684	S	S	*	*			trans	-141.6	141.6	169.4	-85.2	0	0	0	0	111.6	H1693	C1691-H1693 HydrophobicContact CB-CB 4.24Å
1692	V	31.2	Very low	28.9	Very low	115.2 Å²	115.2	122.9 Å²	122.9	70%	0.698	68%	0.684	S	S	*	*				-130.5	132.1	123.2	179.8	0	0	0	0	109.9	H1690 H1694	H1690-V1692 VanDerWaalsContact CD2-CB 3.49Å; H1690-V1692 WeakPolarHBondContact CD2-CB 3.4Å; H1690-V1692 WeakPolarHBondContact CD2-CG2 3.5Å; H1690-V1692 WeakPolarHBondContact NE2-CB 3.43Å; H1690-V1692 WeakPolarHBondContact NE2-CG2 3.37Å; V1692-H1694 HydrophobicContact CG1-CB 3.77Å
1693	H	28.3	Very low	29	Very low	130.6 Å²	130.6	123.8 Å²	123.8	61%	0.605	69%	0.689	S	S	*	*				103.8	136	126.6	-159.2	-95.7	0	0	0	114.4	C1691 H1695	C1691-H1693 HydrophobicContact CB-CB 4.24Å; H1693-H1695 AromaticContact CE1-CD2 3.62Å; H1693-H1695 AromaticContact CE1-CE1 3.95Å; H1693-H1695 AromaticContact CE1-CG 3.73Å; H1693-H1695 PolarHBondContact CE1-N 3.46Å; H1693-H1695 AromaticContact CE1-ND1 3.95Å; H1693-H1695 AromaticContact CE1-NE2 3.73Å; H1693-H1695 AromaticContact ND1-CD2 3.09Å; H1693-H1695 PolarHBondContact ND1-CD2 3.47Å; H1693-H1695 AromaticContact ND1-CE1 3.76Å; H1693-H1695 AromaticContact ND1-CG 3.68Å; H1693-H1695 AromaticContact ND1-NE2 3.12Å; H1693-H1695 PolarHBondContact ND1-NE2 3.41Å; H1693-H1695 VanDerWaalsContact ND1-NE2 3.12Å; H1693-H1695 PolarHBondContact NE2-N 3.17Å
1694	H	29.4	Very low	29.1	Very low	149.6 Å²	149.6	125 Å²	125	69%	0.693	70%	0.697	S	S	*	*			trans	111.9	139.4	168.9	-80.3	-73.1	0	0	0	116.3	V1692	V1692-H1694 HydrophobicContact CG1-CB 3.77Å
1695	H	29.4	Very low	29	Very low	115.2 Å²	115.2	132.1 Å²	132.1	53%	0.533	71%	0.711	S	S	.	*			cis	173.7	151.4	5.9	-103.8	-103	0	0	0	112.7	H1693 E1697	H1693-H1695 AromaticContact CE1-CD2 3.62Å; H1693-H1695 AromaticContact CE1-CE1 3.95Å; H1693-H1695 AromaticContact CE1-CG 3.73Å; H1693-H1695 PolarHBondContact CE1-N 3.46Å; H1693-H1695 AromaticContact CE1-ND1 3.95Å; H1693-H1695 AromaticContact CE1-NE2 3.73Å; H1693-H1695 AromaticContact ND1-CD2 3.09Å; H1693-H1695 PolarHBondContact ND1-CD2 3.47Å; H1693-H1695 AromaticContact ND1-CE1 3.76Å; H1693-H1695 AromaticContact ND1-CG 3.68Å; H1693-H1695 AromaticContact ND1-NE2 3.12Å; H1693-H1695 PolarHBondContact ND1-NE2 3.41Å; H1693-H1695 VanDerWaalsContact ND1-NE2 3.12Å; H1693-H1695 PolarHBondContact NE2-N 3.17Å; H1695-E1697 HydrophobicContact CB-CB 4.23Å; H1695-E1697 VanDerWaalsContact CE1-CD 3.5Å; H1695-E1697 IonicContact CE1-OE1 3.24Å; H1695-E1697 PolarHBondContact CE1-OE1 3.17Å; H1695-E1697 IonicContact CE1-OE2 3.44Å; H1695-E1697 PolarHBondContact CE1-OE2 3.18Å; H1695-E1697 IonicContact CG-OE2 3.64Å; H1695-E1697 IonicContact ND1-OE1 2.64Å; H1695-E1697 PolarHBondContact ND1-OE1 2.75Å; H1695-E1697 IonicContact ND1-OE2 3.37Å; H1695-E1697 PolarHBondContact ND1-OE2 3.23Å
1696	Y	28.8	Very low	28.8	Very low	202 Å²	202	132.7 Å²	132.7	79%	0.792	72%	0.715	S	S	*	*			trans	90.2	147.8	139.2	-70.2	-92.9	0	0	0	114.7
1697	E	28.8	Very low	28.7	Very low	142 Å²	142	134.3 Å²	134.3	66%	0.664	73%	0.725	S	S	*	*			cis	159.9	150	-5.7	-108.3	-178	168.2	0	0	113.8	H1695	H1695-E1697 HydrophobicContact CB-CB 4.23Å; H1695-E1697 VanDerWaalsContact CE1-CD 3.5Å; H1695-E1697 IonicContact CE1-OE1 3.24Å; H1695-E1697 PolarHBondContact CE1-OE1 3.17Å; H1695-E1697 IonicContact CE1-OE2 3.44Å; H1695-E1697 PolarHBondContact CE1-OE2 3.18Å; H1695-E1697 IonicContact CG-OE2 3.64Å; H1695-E1697 IonicContact ND1-OE1 2.64Å; H1695-E1697 PolarHBondContact ND1-OE1 2.75Å; H1695-E1697 IonicContact ND1-OE2 3.37Å; H1695-E1697 PolarHBondContact ND1-OE2 3.23Å
1698	L	29.5	Very low	28.6	Very low	163.6 Å²	163.6	135.8 Å²	135.8	86%	0.857	73%	0.733	S	S	*	*			trans	-54.4	149.8	149.8	-71	132.8	0	0	0	115.5
1699	G	28	Very low	28.8	Very low	66.4 Å²	66.4	134.7 Å²	134.7	69%	0.685	73%	0.733	S	S	*	*				152.1	123.9	126	0	0	0	0	0	115.6
1700	C	27.2	Very low	28.7	Very low	125.2 Å²	125.2	133.3 Å²	133.3	85%	0.846	73%	0.734	S	S	*	*				84.4	132.7	121.2	-71.3	0	0	0	0	116.2
1701	N	28.7	Very low	28.6	Very low	153.8 Å²	153.8	131.7 Å²	131.7	82%	0.822	74%	0.735	S	S	*	*			trans	-67.3	130.1	148.4	-67.4	-27.2	0	0	0	116.6
1702	S	31.4	Very low	28.6	Very low	104.6 Å²	104.6	134.7 Å²	134.7	73%	0.731	74%	0.744	S	S	*	*				163.1	126.4	124.9	56.5	0	0	0	0	115.9
1703	N	29.4	Very low	28.4	Very low	150.2 Å²	150.2	134 Å²	134	80%	0.803	74%	0.743	S	S	*	*				-63.8	135.5	112.7	-68.4	-37.9	0	0	0	114.5
1704	C	28.3	Very low	28.4	Very low	120 Å²	120	135.7 Å²	135.7	81%	0.811	75%	0.751	S	S	*	*				152.1	131.9	94.4	-80.5	0	0	0	0	115.4
1705	R	26.7	Very low	28.3	Very low	234 Å²	234	137.4 Å²	137.4	88%	0.883	76%	0.757	S	S	*	*				55.5	142	112.3	-103.6	179.7	170.2	-176.8	-4.1	116.1
1706	S	26.6	Very low	28.2	Very low	99.4 Å²	99.4	140.8 Å²	140.8	70%	0.695	77%	0.77	S	S	*	*			trans	25.9	150.1	139.9	60.2	0	0	0	0	116.7
1707	T	28.7	Very low	28.2	Very low	128.6 Å²	128.6	137.8 Å²	137.8	79%	0.789	77%	0.768	S	S	*	*			cis	-151.2	155.5	47.7	-3.9	0	0	0	0	112
1708	D	26.1	Very low	28.3	Very low	146 Å²	146	135 Å²	135	78%	0.781	76%	0.764	S	S	*	*			trans	-35.6	168.1	162.3	-85.6	-46.8	0	0	0	116.6
1709	P	33.1	Very low	28.4	Very low	104.4 Å²	104.4	133.6 Å²	133.6	68%	0.678	76%	0.758	S	S	*	*			cis	-134.6	171.9	-6.2	41.3	-25.6	0	0	0	116.3
1710	S	27.6	Very low	28.7	Very low	100.2 Å²	100.2	137.7 Å²	137.7	70%	0.701	76%	0.757	S	S	*	*			trans	17.5	144.6	155.9	67.6	0	0	0	0	117.3
1711	T	26.5	Very low	28.9	Very low	119.8 Å²	119.8	135.7 Å²	135.7	74%	0.735	74%	0.744	S	S	*	*			cis	160.6	132.9	41	-1.7	0	0	0	0	114.1
1712	I	27.6	Very low	29	Very low	158.8 Å²	158.8	134.7 Å²	134.7	81%	0.814	73%	0.732	S	S	*	*			trans	-166.6	125.7	142.4	-70	168.7	0	0	0	111.4
1713	S	25.3	Very low	29	Very low	98.6 Å²	98.6	134.1 Å²	134.1	69%	0.69	73%	0.726	S	S	*	*			trans	-134.7	144.2	146.5	51.6	0	0	0	0	112.9
1714	H	29	Very low	29.1	Very low	167.6 Å²	167.6	131.8 Å²	131.8	78%	0.776	71%	0.713	S	S	*	*			trans	-146	123	158.9	-93.3	-81.2	0	0	0	115.7	F1716	H1714-F1716 HydrophobicContact CB-CE2 4.37Å; H1714-F1716 PolarHBondContact O-N 3.15Å
1715	K	26.6	Very low	29.2	Very low	185.8 Å²	185.8	134 Å²	134	81%	0.808	71%	0.706	S	S	*	*			trans	-58.2	134.9	158	-65	174.7	177.1	177.6	0	112.8	N1717	K1715-N1717 PolarHBondContact O-N 3.45Å
1716	F	28.2	Very low	29.4	Very low	186 Å²	186	127.7 Å²	127.7	82%	0.816	69%	0.693	S	S	*	*			trans	-134.5	123.3	147.1	-87.6	-75.9	0	0	0	111.3	H1714 S1718	H1714-F1716 HydrophobicContact CB-CE2 4.37Å; H1714-F1716 PolarHBondContact O-N 3.15Å; F1716-S1718 PolarHBondContact O-N 2.86Å
1717	N	28.7	Very low	29.5	Very low	139.2 Å²	139.2	129.3 Å²	129.3	74%	0.744	69%	0.69	S	S	*	*			trans	-116.3	133	149.9	-95.7	3.9	0	0	0	107.8	K1715 N1719	K1715-N1717 PolarHBondContact O-N 3.45Å; N1717-N1719 VanDerWaalsContact C-N 3.34Å; N1717-N1719 PolarHBondContact O-N 3.41Å; N1717-N1719 VanDerWaalsContact O-N 3.08Å
1718	S	31.1	Very low	29.5	Very low	82.6 Å²	82.6	128.5 Å²	128.5	58%	0.578	68%	0.684	S	S	*	*			trans	-169.4	120.8	149.5	66.1	0	0	0	0	112.6	F1716 F1720	F1716-S1718 PolarHBondContact O-N 2.86Å; S1718-F1720 WeakPolarHBondContact O-CD2 3.4Å; S1718-F1720 PolarHBondContact O-N 3.2Å; S1718-F1720 VanDerWaalsContact O-N 3.15Å; S1718-F1720 WeakPolarHBondContact OG-CE2 3.42Å
1719	N	31	Very low	29.7	Very low	135.2 Å²	135.2	127.5 Å²	127.5	72%	0.723	68%	0.679	S	S	*	*			trans	-89.8	117.9	170.1	-61.7	-16.6	0	0	0	110	N1717	N1717-N1719 VanDerWaalsContact C-N 3.34Å; N1717-N1719 PolarHBondContact O-N 3.41Å; N1717-N1719 VanDerWaalsContact O-N 3.08Å
1720	F	35.2	Very low	29.7	Very low	152.4 Å²	152.4	128.9 Å²	128.9	67%	0.668	68%	0.68	S	S	*	*			trans	-105.2	127.5	139.5	-77.3	-83.2	0	0	0	111.2	L1027 S1718 F1722	L1027-F1720 HydrophobicContact CD2-CE2 4.29Å; L1027-F1720 HydrophobicContact CD2-CZ 4.33Å; S1718-F1720 WeakPolarHBondContact O-CD2 3.4Å; S1718-F1720 PolarHBondContact O-N 3.2Å; S1718-F1720 VanDerWaalsContact O-N 3.15Å; S1718-F1720 WeakPolarHBondContact OG-CE2 3.42Å; F1720-F1722 HydrophobicContact CB-CD2 4.37Å; F1720-F1722 HydrophobicContact CB-CE2 3.94Å
1721	S	31	Very low	29.8	Very low	83 Å²	83	130.7 Å²	130.7	58%	0.58	68%	0.682	S	S	*	*			trans	-146.3	124.7	158.8	-75.7	0	0	0	0	110.4	C1093	C1093-S1721 PolarHBondContact SG-OG 2.69Å
1722	F	30.7	Very low	30.1	Very low	131.4 Å²	131.4	129.7 Å²	129.7	58%	0.576	68%	0.68	S	S	*	*			trans	-152.5	142.8	153.2	-71	-67.9	0	0	0	113	C1024 F1050 V1091 F1720 L1724	C1024-F1722 HydrophobicContact CB-CZ 4.44Å; F1050-F1722 HydrophobicContact CE1-CE1 4.32Å; F1050-F1722 HydrophobicContact CZ-CE1 4.34Å; V1091-F1722 WeakPolarHBondContact CG1-O 3.48Å; F1720-F1722 HydrophobicContact CB-CD2 4.37Å; F1720-F1722 HydrophobicContact CB-CE2 3.94Å; F1722-L1724 PolarHBondContact O-N 3.17Å
1723	P	32.3	Very low	30.2	Very low	92.4 Å²	92.4	129.2 Å²	129.2	60%	0.6	68%	0.679	S	S	*	*			trans	-105.5	145.3	170.3	32.3	-25.2	0	0	0	115	Y1725	P1723-Y1725 HydrophobicContact CB-CD2 4.23Å; P1723-Y1725 HydrophobicContact CB-CE2 3.93Å; P1723-Y1725 HydrophobicContact CG-CD2 4.26Å; P1723-Y1725 HydrophobicContact CG-CE2 4.02Å; P1723-Y1725 WeakPolarHBondContact O-CD2 3.33Å; P1723-Y1725 PolarHBondContact O-N 2.93Å; P1723-Y1725 VanDerWaalsContact O-N 3.12Å
1724	L	30.9	Very low	30.7	Very low	102.2 Å²	102.2	131.1 Å²	131.1	54%	0.535	68%	0.681	S	S	.	*			trans	-39.4	134.4	155.8	-82.2	167.1	0	0	0	115.2	I1075 I1092 F1094 F1722 V1726	I1075-L1724 HydrophobicContact CG2-CD1 4.06Å; I1092-L1724 HydrophobicContact CB-CD1 4.36Å; I1092-L1724 HydrophobicContact CD1-CD1 4.11Å; F1094-L1724 HydrophobicContact CE2-CD1 4.02Å; F1094-L1724 HydrophobicContact CZ-CD1 3.97Å; F1722-L1724 PolarHBondContact O-N 3.17Å; L1724-V1726 HydrophobicContact CD2-CG2 4.46Å; L1724-V1726 PolarHBondContact O-N 3.19Å; L1724-V1726 VanDerWaalsContact O-N 3.12Å
1725	Y	30.1	Very low	30.9	Very low	166.8 Å²	166.8	130.5 Å²	130.5	65%	0.654	68%	0.679	S	S	*	*			trans	-61.5	102.1	173.1	-90.9	-93.3	0	0	0	113	V1054 P1723 E1727	V1054-Y1725 HydrophobicContact CG2-CD2 4.48Å; P1723-Y1725 HydrophobicContact CB-CD2 4.23Å; P1723-Y1725 HydrophobicContact CB-CE2 3.93Å; P1723-Y1725 HydrophobicContact CG-CD2 4.26Å; P1723-Y1725 HydrophobicContact CG-CE2 4.02Å; P1723-Y1725 WeakPolarHBondContact O-CD2 3.33Å; P1723-Y1725 PolarHBondContact O-N 2.93Å; P1723-Y1725 VanDerWaalsContact O-N 3.12Å; Y1725-E1727 VanDerWaalsContact C-N 3.33Å; Y1725-E1727 WeakPolarHBondContact O-CG 3.14Å; Y1725-E1727 PolarHBondContact O-N 2.99Å; Y1725-E1727 VanDerWaalsContact O-N 3.17Å; Y1725-E1727 VanDerWaalsContact O-OE2 3.07Å
1726	V	31.6	Very low	31.2	Very low	100.4 Å²	100.4	127.7 Å²	127.7	61%	0.608	67%	0.673	S	S	*	*			trans	-68.4	96.5	144.2	-177	0	0	0	0	110.9	I1057 L1724 T1728	I1057-V1726 HydrophobicContact CD1-CG1 4.13Å; I1057-V1726 HydrophobicContact CD1-CG2 3.97Å; L1724-V1726 HydrophobicContact CD2-CG2 4.46Å; L1724-V1726 PolarHBondContact O-N 3.19Å; L1724-V1726 VanDerWaalsContact O-N 3.12Å; V1726-T1728 HydrophobicContact CG1-CG2 4.23Å; V1726-T1728 PolarHBondContact O-N 3.05Å; V1726-T1728 VanDerWaalsContact O-N 3.12Å
1727	E	27.9	Very low	31.5	Very low	134 Å²	134	124.2 Å²	124.2	63%	0.626	67%	0.667	S	S	*	*			trans	-95.8	127	159.4	-73.4	-174	133.2	0	0	114.3	Y1725 N1729	Y1725-E1727 VanDerWaalsContact C-N 3.33Å; Y1725-E1727 WeakPolarHBondContact O-CG 3.14Å; Y1725-E1727 PolarHBondContact O-N 2.99Å; Y1725-E1727 VanDerWaalsContact O-N 3.17Å; Y1725-E1727 VanDerWaalsContact O-OE2 3.07Å; E1727-N1729 VanDerWaalsContact C-N 3.28Å; E1727-N1729 PolarHBondContact O-N 3.22Å; E1727-N1729 VanDerWaalsContact O-N 3.15Å; E1727-N1729 PolarHBondContact OE2-ND2 3.17Å
1728	T	29.1	Very low	31.7	Very low	111.2 Å²	111.2	121.9 Å²	121.9	68%	0.682	66%	0.657	S	S	*	*			trans	-72.6	105.1	164.2	50.2	0	0	0	0	112.9	V1726 L1730	V1726-T1728 HydrophobicContact CG1-CG2 4.23Å; V1726-T1728 PolarHBondContact O-N 3.05Å; V1726-T1728 VanDerWaalsContact O-N 3.12Å; T1728-L1730 VanDerWaalsContact C-N 3.28Å; T1728-L1730 PolarHBondContact O-N 3.46Å
1729	N	30.2	Very low	31.6	Very low	125.6 Å²	125.6	123.6 Å²	123.6	67%	0.672	66%	0.66	S	S	*	*			trans	-104.1	125.1	148.1	-80	-7.7	0	0	0	111.9	E1727 D1731	E1727-N1729 VanDerWaalsContact C-N 3.28Å; E1727-N1729 PolarHBondContact O-N 3.22Å; E1727-N1729 VanDerWaalsContact O-N 3.15Å; E1727-N1729 PolarHBondContact OE2-ND2 3.17Å; N1729-D1731 PolarHBondContact O-N 3.21Å
1730	L	32	Very low	31.7	Very low	133 Å²	133	123.2 Å²	123.2	70%	0.696	66%	0.663	S	S	*	*			trans	-85.8	121.6	154.5	-60.6	171.1	0	0	0	109.4	T1728 S1732	T1728-L1730 VanDerWaalsContact C-N 3.28Å; T1728-L1730 PolarHBondContact O-N 3.46Å; L1730-S1732 PolarHBondContact O-N 3.31Å
1731	D	30.8	Very low	31.5	Very low	138.4 Å²	138.4	119 Å²	119	74%	0.74	66%	0.662	S	S	*	*			trans	-101.2	134.7	153.8	-80.4	-36.8	0	0	0	108.3	N1729 D1733	N1729-D1731 PolarHBondContact O-N 3.21Å; D1731-D1733 PolarHBondContact O-N 3.48Å
1732	S	31.9	Very low	31.4	Very low	98.4 Å²	98.4	121.9 Å²	121.9	69%	0.688	67%	0.67	S	S	*	*			trans	-117.3	114.9	176.7	25.9	0	0	0	0	112.3	L1730 D1734	L1730-S1732 PolarHBondContact O-N 3.31Å; S1732-D1734 PolarHBondContact O-N 2.96Å
1733	D	30.7	Very low	31.4	Very low	148.8 Å²	148.8	120.9 Å²	120.9	80%	0.796	68%	0.675	S	S	*	*			trans	-81.3	139.2	169.8	-60	-50.3	0	0	0	113.7	D1731	D1731-D1733 PolarHBondContact O-N 3.48Å
1734	D	34.8	Very low	31.3	Very low	138.2 Å²	138.2	122 Å²	122	74%	0.739	68%	0.68	S	S	*	*			trans	162.1	132	140.2	-90	-23.2	0	0	0	115	S1732	S1732-D1734 PolarHBondContact O-N 2.96Å
1735	E	33.3	Very low	31.3	Very low	156.2 Å²	156.2	122.7 Å²	122.7	73%	0.73	69%	0.689	S	S	*	*			trans	-147	118.1	170.3	-75.7	-91.6	-168	0	0	116.8	V1737 S1766	E1735-V1737 PolarHBondContact O-N 3.07Å; E1735-S1766 PolarHBondContact OE1-N 3.23Å
1736	D	33	Very low	31.3	Very low	127 Å²	127	120.3 Å²	120.3	68%	0.679	69%	0.692	S	S	*	*			trans	-168.9	120.2	168.1	-123.4	-38.4	0	0	0	118.3	V1738	D1736-V1738 PolarHBondContact O-N 3.05Å; D1736-V1738 VanDerWaalsContact OD1-CG2 3.23Å; D1736-V1738 WeakPolarHBondContact OD1-CG2 3.28Å
1737	V	34.1	Very low	31.3	Very low	112.4 Å²	112.4	121.2 Å²	121.2	68%	0.681	70%	0.697	S	S	*	*			trans	-158.3	113.1	151.3	179.5	0	0	0	0	115.4	E1735 T1942	E1735-V1737 PolarHBondContact O-N 3.07Å; V1737-T1942 HydrophobicContact CG2-CG2 4.26Å
1738	V	33.4	Very low	31.4	Very low	90.6 Å²	90.6	120.5 Å²	120.5	55%	0.549	70%	0.702	S	S	.	*			trans	-165.6	138.6	157.5	151.9	0	0	0	0	114.2	D1736 T1942 S1943	D1736-V1738 PolarHBondContact O-N 3.05Å; D1736-V1738 VanDerWaalsContact OD1-CG2 3.23Å; D1736-V1738 WeakPolarHBondContact OD1-CG2 3.28Å; V1738-T1942 HydrophobicContact CG2-CG2 4.03Å; V1738-S1943 WeakPolarHBondContact CG1-OG 3.4Å; V1738-S1943 WeakPolarHBondContact CG2-OG 3.29Å
1739	N	30.3	Very low	31.5	Very low	117.8 Å²	117.8	120.8 Å²	120.8	63%	0.63	70%	0.704	S	S	*	*			cis	-151	154.2	44.7	-107.4	-26.2	0	0	0	115.2
1740	T	33.2	Very low	31.5	Very low	127.6 Å²	127.6	120.5 Å²	120.5	78%	0.783	71%	0.707	S	S	*	*				141	142	108.6	31.1	0	0	0	0	117	S1945	T1740-S1945 WeakPolarHBondContact CG2-OG 3.42Å
1741	G	30.8	Very low	31.5	Very low	63 Å²	63	120 Å²	120	65%	0.649	71%	0.71	S	S	*	*			trans	138.8	120.8	162.7	0	0	0	0	0	117.3
1742	L	29.2	Very low	31.4	Very low	144.8 Å²	144.8	118 Å²	118	76%	0.758	71%	0.707	S	S	*	*			trans	-162.9	147.9	153.4	-105.6	99.6	0	0	0	114.3
1743	T	30.4	Very low	31.4	Very low	109.4 Å²	109.4	119.3 Å²	119.3	67%	0.671	71%	0.71	S	S	*	*				136.5	128.9	128.8	29.8	0	0	0	0	116
1744	T	30.1	Very low	31.3	Very low	116.4 Å²	116.4	118.1 Å²	118.1	71%	0.714	71%	0.708	S	S	*	*				53.3	141.6	112	48.5	0	0	0	0	119
1745	T	30.7	Very low	31.1	Very low	116.4 Å²	116.4	117.2 Å²	117.2	71%	0.714	71%	0.708	S	S	*	*				173.7	151.8	51.7	19	0	0	0	0	113
1746	T	30.6	Very low	31	Very low	117.6 Å²	117.6	114 Å²	114	72%	0.721	71%	0.708	S	S	*	*			trans	21.4	142.8	134.2	58.5	0	0	0	0	118.5
1747	T	30.5	Very low	30.7	Very low	117.4 Å²	117.4	112.6 Å²	112.6	72%	0.72	71%	0.709	S	S	*	*			cis	173.5	145.8	46.1	14.3	0	0	0	0	112.3
1748	T	30.1	Very low	30.6	Very low	119.8 Å²	119.8	114 Å²	114	74%	0.735	71%	0.712	S	S	*	*			trans	42	150.4	154.9	55.6	0	0	0	0	119.5
1749	T	30.9	Very low	30.5	Very low	118 Å²	118	115.2 Å²	115.2	72%	0.724	72%	0.715	S	S	*	*				172.8	144.1	65.1	6.5	0	0	0	0	112.9
1750	T	30.5	Very low	30.6	Very low	119.8 Å²	119.8	120.4 Å²	120.4	74%	0.735	73%	0.726	S	S	*	*			trans	54.2	153.9	145.4	58.5	0	0	0	0	119
1751	T	31.9	Very low	30.4	Very low	121 Å²	121	117.5 Å²	117.5	74%	0.742	72%	0.722	S	S	*	*			cis	148.1	141.9	30.7	32.9	0	0	0	0	112
1752	S	29.3	Very low	30.3	Very low	97.6 Å²	97.6	120.1 Å²	120.1	68%	0.683	73%	0.728	S	S	*	*			cis	148.9	161.8	6.9	57.3	0	0	0	0	114
1753	V	30.4	Very low	30.2	Very low	126.4 Å²	126.4	120.8 Å²	120.8	77%	0.766	73%	0.73	S	S	*	*			trans	112.5	143.5	148.4	176.5	0	0	0	0	112.8	A1756	V1753-A1756 HydrophobicContact CG1-CB 4.17Å
1754	T	29.9	Very low	30.1	Very low	121.8 Å²	121.8	123 Å²	123	75%	0.747	74%	0.737	S	S	*	*			trans	-150.5	156.2	138.3	46.7	0	0	0	0	112.2
1755	T	30.3	Very low	29.9	Very low	120.8 Å²	120.8	121.8 Å²	121.8	74%	0.741	73%	0.733	S	S	*	*				157.3	133.8	60.9	36.2	0	0	0	0	113
1756	A	30.3	Very low	29.8	Very low	88 Å²	88	120.8 Å²	120.8	73%	0.727	73%	0.731	S	S	*	*				86	146.7	59.3	0	0	0	0	0	115.8	V1753	V1753-A1756 HydrophobicContact CG1-CB 4.17Å
1757	S	28.7	Very low	29.7	Very low	98.8 Å²	98.8	122.9 Å²	122.9	69%	0.691	74%	0.737	S	S	*	*			cis	-157.8	150.8	-38	55.3	0	0	0	0	111.1
1758	N	30.8	Very low	29.6	Very low	141.2 Å²	141.2	121.5 Å²	121.5	76%	0.755	73%	0.732	S	S	*	*			trans	109.7	162.4	144.1	-77.2	4.9	0	0	0	113.9
1759	D	31.7	Very low	29.6	Very low	115.4 Å²	115.4	123.6 Å²	123.6	62%	0.617	73%	0.733	S	S	*	*			cis	-162.3	160.1	7.9	-126.8	-54.4	0	0	0	114.1
1760	R	32.5	Very low	29.5	Very low	227 Å²	227	123.4 Å²	123.4	86%	0.857	73%	0.732	S	S	*	*			trans	37.2	145.5	146.5	-65.7	161.9	-174.5	-178	-0.7	115.9
1761	G	29.3	Very low	29.5	Very low	66.6 Å²	66.6	125.3 Å²	125.3	69%	0.687	73%	0.73	S	S	*	*			cis	140	134.7	28	0	0	0	0	0	112.3
1762	C	27.8	Very low	29.3	Very low	117.2 Å²	117.2	126.4 Å²	126.4	79%	0.792	73%	0.73	S	S	*	*			trans	65.3	130.6	156.1	-67.6	0	0	0	0	117
1763	M	26.5	Very low	29.3	Very low	161.2 Å²	161.2	128.2 Å²	128.2	79%	0.794	73%	0.731	S	S	*	*				122.1	132.5	80.5	-74.7	-77.3	160.3	0	0	117.7
1764	L	28.5	Very low	29.3	Very low	154.8 Å²	154.8	131.2 Å²	131.2	81%	0.81	73%	0.729	S	S	*	*			trans	101.5	117.4	142	-73.9	168.8	0	0	0	116.2
1765	S	27.2	Very low	29.2	Very low	91 Å²	91	131.5 Å²	131.5	64%	0.636	72%	0.722	S	S	*	*				108.8	134.9	104.3	21.9	0	0	0	0	116.1
1766	S	27.4	Very low	29.2	Very low	96.2 Å²	96.2	132.5 Å²	132.5	67%	0.673	72%	0.718	S	S	*	*				85	146.6	119.7	60.9	0	0	0	0	118.4	E1735	E1735-S1766 PolarHBondContact OE1-N 3.23Å
1767	L	28.8	Very low	29.1	Very low	160.6 Å²	160.6	134.7 Å²	134.7	84%	0.841	71%	0.713	S	S	*	*			cis	-179.1	166.8	48.4	-103.9	152.5	0	0	0	113.4
1768	S	28.4	Very low	29.1	Very low	89.2 Å²	89.2	137.2 Å²	137.2	62%	0.624	71%	0.714	S	S	*	*			trans	-120.5	165.1	-172.4	52	0	0	0	0	114.4
1769	E	30.1	Very low	29.1	Very low	162.8 Å²	162.8	138.4 Å²	138.4	76%	0.761	72%	0.715	S	S	*	*			trans	142.6	152.1	130.2	-93.8	-176	162.7	0	0	117.9	P1837 I1838 H1839	E1769-P1837 WeakPolarHBondContact OE2-CA 2.92Å; E1769-I1838 HydrophobicContact CB-CG2 3.65Å; E1769-I1838 PolarHBondContact OE1-N 2.91Å; E1769-I1838 PolarHBondContact OE2-N 3.31Å; E1769-H1839 HydrophobicContact CB-CB 4.22Å; E1769-H1839 PolarHBondContact OE1-N 3.13Å
1770	T	29.5	Very low	28.9	Very low	113.2 Å²	113.2	137.9 Å²	137.9	69%	0.694	72%	0.719	S	S	*	*			trans	-107.8	163.1	-173.2	43.2	0	0	0	0	118.3	H1839	T1770-H1839 WeakPolarHBondContact CA-ND1 3.18Å; T1770-H1839 PolarHBondContact N-ND1 3.24Å; T1770-H1839 PolarHBondContact O-CE1 3.25Å; T1770-H1839 PolarHBondContact O-ND1 2.86Å
1771	K	29.4	Very low	28.7	Very low	161.2 Å²	161.2	133.5 Å²	133.5	70%	0.701	71%	0.713	S	S	*	*				143.5	143.6	122.9	-90.5	174	-176.9	158.3	0	117	I1838 H1839 L1840	K1771-I1838 PolarHBondContact NZ-O 2.83Å; K1771-H1839 HydrophobicContact CB-CB 4.09Å; K1771-H1839 WeakPolarHBondContact CB-CD2 3.26Å; K1771-H1839 WeakPolarHBondContact CD-CD2 3.13Å; K1771-H1839 HydrophobicContact CG-CB 4.02Å; K1771-H1839 WeakPolarHBondContact CG-CD2 3.35Å; K1771-H1839 VanDerWaalsContact N-CB 3.28Å; K1771-L1840 CarbonylContact C-O 3.4Å; K1771-L1840 WeakPolarHBondContact CA-O 3.47Å; K1771-L1840 PolarHBondContact N-O 2.72Å
1772	I	28.8	Very low	28.5	Very low	143.6 Å²	143.6	136.9 Å²	136.9	74%	0.736	72%	0.715	S	S	*	*				116.4	143.6	107.1	-66.5	164.6	0	0	0	118	L1840 S1841	I1772-L1840 PolarHBondContact N-O 3.37Å; I1772-S1841 PolarHBondContact O-OG 2.8Å
1773	L	29.8	Very low	28.6	Very low	134.8 Å²	134.8	138.1 Å²	138.1	71%	0.706	71%	0.709	S	S	*	*			trans	107.6	132.5	179.8	-115.8	98.9	0	0	0	117.8	L1840	L1773-L1840 HydrophobicContact CD1-CD1 3.86Å; L1773-L1840 HydrophobicContact CD2-CD1 4.1Å
1774	R	28.9	Very low	28.6	Very low	190.2 Å²	190.2	137.3 Å²	137.3	72%	0.718	71%	0.707	S	S	*	*				86.5	148.6	119.5	-115.4	-175.2	-179	172.3	1.9	117
1775	Q	28.8	Very low	28.5	Very low	128.6 Å²	128.6	135.4 Å²	135.4	60%	0.601	70%	0.696	S	S	*	*			trans	113.8	156.1	-169.2	-105.7	171.8	-44.7	0	0	113.8
1776	Q	29.8	Very low	28.7	Very low	140.8 Å²	140.8	138.1 Å²	138.1	66%	0.658	70%	0.699	S	S	*	*			cis	164.3	138.8	-21.5	-103.2	167.8	-21.1	0	0	113.8
1777	Q	27.3	Very low	28.7	Very low	133.4 Å²	133.4	140.8 Å²	140.8	62%	0.623	70%	0.701	S	S	*	*				68.7	125.8	110.1	-90.8	178.4	-58.2	0	0	120.2
1778	H	30.7	Very low	28.7	Very low	151.6 Å²	151.6	139 Å²	139	70%	0.702	69%	0.692	S	S	*	*			trans	93.1	133.6	141.6	-76.3	-60.2	0	0	0	120.2
1779	Q	29.9	Very low	28.7	Very low	167 Å²	167	140.8 Å²	140.8	78%	0.78	70%	0.695	S	S	*	*			trans	89.1	128.3	140.8	-86.4	173	-7.6	0	0	119.1
1780	C	26.7	Very low	28.8	Very low	104.4 Å²	104.4	138.4 Å²	138.4	71%	0.705	69%	0.687	S	S	*	*				60.7	138.4	128.2	-69.7	0	0	0	0	118.2
1781	N	28	Very low	28.7	Very low	135.8 Å²	135.8	139.4 Å²	139.4	73%	0.726	69%	0.688	S	S	*	*			trans	58.4	121.3	146.6	-58.2	-9.9	0	0	0	118.6	I1171	I1171-N1781 HydrophobicContact CD1-CB 4.34Å; I1171-N1781 HydrophobicContact CG1-CB 4.2Å
1782	N	27.2	Very low	28.8	Very low	137.2 Å²	137.2	137.4 Å²	137.4	73%	0.734	68%	0.683	S	S	*	*				-175.4	148.9	94.4	-92.1	-30.4	0	0	0	113.9	I1171 N1172	I1171-N1782 WeakPolarHBondContact CD1-O 3.4Å; I1171-N1782 HydrophobicContact CG2-CB 4.22Å; I1171-N1782 WeakPolarHBondContact CG2-OD1 3.43Å; N1172-N1782 PolarHBondContact ND2-OD1 3.39Å
1783	H	28.5	Very low	28.8	Very low	143 Å²	143	135.9 Å²	135.9	66%	0.662	68%	0.681	S	S	*	*			trans	116.3	137.9	144.8	-108	-33.2	0	0	0	113.5	I1171	I1171-H1783 HydrophobicContact CB-CB 3.62Å; I1171-H1783 HydrophobicContact CG2-CB 3.6Å; I1171-H1783 PolarHBondContact N-CD2 3.29Å; I1171-H1783 VanDerWaalsContact N-CD2 3.33Å; I1171-H1783 PolarHBondContact N-CE1 2.99Å; I1171-H1783 PolarHBondContact N-NE2 3.2Å; I1171-H1783 VanDerWaalsContact N-NE2 3.16Å; I1171-H1783 PolarHBondContact O-CD2 2.64Å
1784	L	27.2	Very low	28.8	Very low	143 Å²	143	134.8 Å²	134.8	75%	0.749	68%	0.68	S	S	*	*				86.6	126.6	103.2	-132	77.9	0	0	0	112
1785	I	27	Very low	28.7	Very low	115.6 Å²	115.6	131.4 Å²	131.4	59%	0.593	68%	0.681	S	S	*	*				119.7	132.8	87.5	-88.2	167.5	0	0	0	110
1786	Q	29.9	Very low	28.6	Very low	148.6 Å²	148.6	132.4 Å²	132.4	69%	0.694	69%	0.689	S	S	*	*				106.6	143.3	74.6	-99.2	155.3	-2.1	0	0	112.8
1787	Q	28.1	Very low	28.5	Very low	151.8 Å²	151.8	130.9 Å²	130.9	71%	0.709	69%	0.693	S	S	*	*				81	136.7	61.8	-102.7	-178.7	-5.2	0	0	114.3
1788	N	28.4	Very low	28.5	Very low	123.2 Å²	123.2	129.3 Å²	129.3	66%	0.659	70%	0.697	S	S	*	*				122.1	132.8	127.2	-76.6	0.9	0	0	0	112.4	N1790	N1788-N1790 VanDerWaalsContact CG-N 3.27Å; N1788-N1790 PolarHBondContact OD1-N 3.39Å
1789	D	29	Very low	28.3	Very low	126.2 Å²	126.2	130 Å²	130	68%	0.675	70%	0.7	S	S	*	*			cis	-113.7	146.9	49.1	-83.5	-33.6	0	0	0	112.1
1790	N	31.7	Very low	28.2	Very low	113.6 Å²	113.6	129.1 Å²	129.1	61%	0.607	70%	0.699	S	S	*	*			cis	170.2	148.1	42.8	-84	-53.2	0	0	0	112.6	N1788 I1792	N1788-N1790 VanDerWaalsContact CG-N 3.27Å; N1788-N1790 PolarHBondContact OD1-N 3.39Å; N1790-I1792 HydrophobicContact CB-CD1 4.3Å; N1790-I1792 HydrophobicContact CB-CG1 4.15Å; N1790-I1792 WeakPolarHBondContact OD1-CG1 3.49Å
1791	L	28.8	Very low	28.1	Very low	133.6 Å²	133.6	128.8 Å²	128.8	70%	0.699	70%	0.698	S	S	*	*			cis	-89.4	139.3	49.5	-103.2	87.2	0	0	0	115.4	T1793	L1791-T1793 PolarHBondContact O-N 2.72Å
1792	I	30.9	Very low	28	Very low	119.2 Å²	119.2	128.2 Å²	128.2	61%	0.611	70%	0.699	S	S	*	*				86.9	113	123.3	-68.9	171.5	0	0	0	110.6	P1358 P1359 N1790 T1794	P1358-I1792 HydrophobicContact CB-CD1 4.17Å; P1358-I1792 HydrophobicContact CG-CD1 4.08Å; P1359-I1792 WeakPolarHBondContact O-CD1 3.49Å; N1790-I1792 HydrophobicContact CB-CD1 4.3Å; N1790-I1792 HydrophobicContact CB-CG1 4.15Å; N1790-I1792 WeakPolarHBondContact OD1-CG1 3.49Å; I1792-T1794 PolarHBondContact O-N 3.36Å
1793	T	28.3	Very low	27.9	Very low	111.4 Å²	111.4	129.3 Å²	129.3	68%	0.683	70%	0.7	S	S	*	*				68.4	125.9	61.8	43.9	0	0	0	0	114	L1791	L1791-T1793 PolarHBondContact O-N 2.72Å
1794	T	29.5	Very low	27.7	Very low	113.4 Å²	113.4	131.5 Å²	131.5	70%	0.696	70%	0.704	S	S	*	*				-177.4	131.6	101.7	47.3	0	0	0	0	116.3	I1792	I1792-T1794 PolarHBondContact O-N 3.36Å
1795	T	28.1	Very low	27.6	Very low	118.4 Å²	118.4	130.9 Å²	130.9	73%	0.726	70%	0.701	S	S	*	*			trans	55.4	128.3	133.3	20.1	0	0	0	0	122.1
1796	L	26.8	Very low	27.7	Very low	148.8 Å²	148.8	129.9 Å²	129.9	78%	0.779	70%	0.704	S	S	*	*				103.7	145.5	96.4	-82.1	168.5	0	0	0	116.7
1797	C	26.2	Very low	27.6	Very low	109.8 Å²	109.8	128.8 Å²	128.8	74%	0.742	70%	0.702	S	S	*	*			trans	67.3	139.5	140.5	-80.2	0	0	0	0	119.8
1798	S	27.4	Very low	27.6	Very low	100.2 Å²	100.2	125 Å²	125	70%	0.701	70%	0.698	S	S	*	*				112.4	151.6	98.7	-44.8	0	0	0	0	117.2
1799	E	26.1	Very low	27.6	Very low	165.2 Å²	165.2	124.5 Å²	124.5	77%	0.772	70%	0.699	S	S	*	*				-162.1	141.7	125	-83.6	170.2	142.8	0	0	117.1
1800	I	27.7	Very low	27.6	Very low	148.4 Å²	148.4	125.1 Å²	125.1	76%	0.761	70%	0.7	S	S	*	*			trans	104.4	135.8	133.5	-77.8	162.4	0	0	0	116.1
1801	S	25.9	Very low	27.4	Very low	97.8 Å²	97.8	125.3 Å²	125.3	68%	0.684	70%	0.701	S	S	*	*			trans	-154.9	158	164.2	-66.5	0	0	0	0	115.8	H1803	S1801-H1803 PolarHBondContact OG-CD2 3.09Å
1802	V	25.4	Very low	27.3	Very low	123.8 Å²	123.8	123.4 Å²	123.4	75%	0.75	70%	0.696	S	S	*	*			trans	128.2	114.4	137	-179	0	0	0	0	114.5	Y1804	V1802-Y1804 HydrophobicContact CG1-CD2 3.98Å
1803	H	24.6	Very low	27.1	Very low	160 Å²	160	124.1 Å²	124.1	74%	0.741	70%	0.701	S	S	*	*			trans	27.3	134.3	153.3	-73	-87.9	0	0	0	116.9	S1801	S1801-H1803 PolarHBondContact OG-CD2 3.09Å
1804	Y	24.6	Very low	27.2	Very low	189.2 Å²	189.2	128.9 Å²	128.9	74%	0.742	71%	0.706	S	S	*	*				155.8	140	67.4	-116.5	-69.3	0	0	0	114.5	V1802	V1802-Y1804 HydrophobicContact CG1-CD2 3.98Å
1805	L	26.1	Very low	27	Very low	131.4 Å²	131.4	128.6 Å²	128.6	69%	0.688	71%	0.708	S	S	*	*			trans	45.9	146.8	164.4	-67.6	136.7	0	0	0	116.7	D1807	L1805-D1807 WeakPolarHBondContact CD2-OD2 3.14Å
1806	S	28.9	Very low	27.1	Very low	94.2 Å²	94.2	129.5 Å²	129.5	66%	0.659	71%	0.708	S	S	*	*			cis	-155.4	152.4	14.4	-61.2	0	0	0	0	111.1
1807	D	26.8	Very low	27.1	Very low	124.6 Å²	124.6	128.6 Å²	128.6	67%	0.666	70%	0.703	S	S	*	*				-113.4	168	72.8	-84	-75.4	0	0	0	111.8	L1805	L1805-D1807 WeakPolarHBondContact CD2-OD2 3.14Å
1808	A	28.7	Very low	27.2	Very low	73.4 Å²	73.4	131.1 Å²	131.1	61%	0.607	70%	0.701	S	S	*	*			cis	-158.3	-172.4	4.4	0	0	0	0	0	110.5
1809	V	27.8	Very low	27.2	Very low	112.6 Å²	112.6	135 Å²	135	68%	0.682	71%	0.706	S	S	*	*				117.4	130.2	65.4	177.4	0	0	0	0	112.2
1810	I	29.4	Very low	27.3	Very low	137.2 Å²	137.2	137.6 Å²	137.6	70%	0.704	71%	0.708	S	S	*	*			trans	87	113.8	151.8	-56.2	174.2	0	0	0	113.9	N2139	I1810-N2139 WeakPolarHBondContact CG2-ND2 3.17Å
1811	N	27.2	Very low	27.2	Very low	118.4 Å²	118.4	136.5 Å²	136.5	63%	0.633	70%	0.703	S	S	*	*				102.7	149.7	96.4	-121.8	-8.4	0	0	0	115.2	F2138	N1811-F2138 VanDerWaalsContact C-CE1 3.46Å; N1811-F2138 WeakPolarHBondContact O-CE1 3.04Å; N1811-F2138 WeakPolarHBondContact O-CZ 2.99Å
1812	T	27.7	Very low	27.2	Very low	94.4 Å²	94.4	137.8 Å²	137.8	58%	0.579	70%	0.699	S	S	*	*			trans	165.5	136.2	146.4	45.5	0	0	0	0	115.3	R1814 F2138	T1812-R1814 PolarHBondContact O-N 3.17Å; T1812-F2138 WeakPolarHBondContact O-CE1 2.52Å; T1812-F2138 VanDerWaalsContact O-CE2 3.28Å; T1812-F2138 WeakPolarHBondContact O-CE2 3.35Å; T1812-F2138 WeakPolarHBondContact O-CZ 3.44Å
1813	N	26.5	Very low	27.4	Very low	133.8 Å²	133.8	136.9 Å²	136.9	72%	0.716	69%	0.689	S	S	*	*				58.9	126.8	119.8	-70.4	-45.2	0	0	0	116.3	N2137	N1813-N2137 PolarHBondContact ND2-OD1 3.21Å; N1813-N2137 VanDerWaalsContact ND2-OD1 3.07Å
1814	R	28.9	Very low	27.5	Very low	212.2 Å²	212.2	133.2 Å²	133.2	80%	0.801	68%	0.681	S	S	*	*				100.6	132.3	120.1	-87.9	175.4	175.4	179.8	-1.6	115.6	T1812 I1816 L1817	T1812-R1814 PolarHBondContact O-N 3.17Å; R1814-I1816 HydrophobicContact CB-CD1 4.06Å; R1814-I1816 HydrophobicContact CB-CG1 4.22Å; R1814-I1816 VanDerWaalsContact N-CD1 3.35Å; R1814-I1816 PolarHBondContact O-N 2.71Å; R1814-L1817 HydrophobicContact CG-CD1 4.26Å
1815	S	25.9	Very low	27.7	Very low	106 Å²	106	130.6 Å²	130.6	74%	0.741	68%	0.68	S	S	*	*				-94.5	151.2	128.2	48.4	0	0	0	0	110.8
1816	I	31	Very low	27.8	Very low	138.8 Å²	138.8	131.8 Å²	131.8	71%	0.712	68%	0.682	S	S	*	*				163.4	133.7	119.6	-80.4	169.4	0	0	0	113.1	R1814	R1814-I1816 HydrophobicContact CB-CD1 4.06Å; R1814-I1816 HydrophobicContact CB-CG1 4.22Å; R1814-I1816 VanDerWaalsContact N-CD1 3.35Å; R1814-I1816 PolarHBondContact O-N 2.71Å
1817	L	27.3	Very low	27.8	Very low	129 Å²	129	132.2 Å²	132.2	68%	0.675	68%	0.676	S	S	*	*			trans	43.9	154.2	166.3	-73.2	105.1	0	0	0	117.5	R1814	R1814-L1817 HydrophobicContact CG-CD1 4.26Å
1818	F	27.1	Very low	27.9	Very low	163.2 Å²	163.2	134.9 Å²	134.9	72%	0.716	68%	0.677	S	S	*	*				121.6	136.5	72.8	-95.6	-67.1	0	0	0	114.6	R1820	F1818-R1820 HydrophobicContact CD1-CB 4.19Å; F1818-R1820 HydrophobicContact CE1-CB 4.06Å
1819	K	28.3	Very low	27.8	Very low	181.2 Å²	181.2	139.6 Å²	139.6	79%	0.788	68%	0.683	S	S	*	*				50.5	123	113.4	-83.3	175.4	179.2	173.3	0	116.5
1820	R	26.8	Very low	27.9	Very low	219.2 Å²	219.2	140.9 Å²	140.9	83%	0.827	68%	0.682	S	S	*	*				-165	136.5	125.8	-119.5	173.3	-177.8	164.4	1.5	112.5	F1818	F1818-R1820 HydrophobicContact CD1-CB 4.19Å; F1818-R1820 HydrophobicContact CE1-CB 4.06Å
1821	L	26	Very low	27.7	Very low	126.2 Å²	126.2	143.6 Å²	143.6	66%	0.661	68%	0.683	S	S	*	*				65	124.9	114	-72	177.6	0	0	0	115.7	N2473	L1821-N2473 VanDerWaalsContact C-CB 3.45Å; L1821-N2473 VanDerWaalsContact CA-CG 3.48Å; L1821-N2473 VanDerWaalsContact CA-ND2 3.26Å; L1821-N2473 WeakPolarHBondContact CA-ND2 3.48Å; L1821-N2473 PolarHBondContact N-ND2 3.09Å; L1821-N2473 VanDerWaalsContact O-CB 3.31Å; L1821-N2473 WeakPolarHBondContact O-CB 3.38Å
1822	H	27.1	Very low	27.7	Very low	125.6 Å²	125.6	142 Å²	142	58%	0.581	68%	0.682	S	S	*	*			cis	-169.5	150.4	49	-120.5	-65	0	0	0	113	H2140 N2141 Q2142 N2473	H1822-H2140 CarbonylContact C-O 3.52Å; H1822-H2140 VanDerWaalsContact CB-O 3.22Å; H1822-H2140 WeakPolarHBondContact CB-O 3.23Å; H1822-N2141 CarbonylContact O-C 3.35Å; H1822-N2141 VanDerWaalsContact O-CA 3.29Å; H1822-N2141 WeakPolarHBondContact O-CA 3.29Å; H1822-Q2142 WeakPolarHBondContact O-CA 3.46Å; H1822-Q2142 PolarHBondContact O-N 3.18Å; H1822-Q2142 VanDerWaalsContact O-N 3.15Å; H1822-N2473 WeakPolarHBondContact CA-OD1 3.45Å; H1822-N2473 PolarHBondContact N-OD1 2.99Å
1823	N	28.4	Very low	27.6	Very low	104.8 Å²	104.8	147.6 Å²	147.6	56%	0.56	69%	0.692	S	S	*	*			trans	91.7	150	150.7	-75.4	-11.1	0	0	0	114.2	N2139 H2140 N2141	N1823-N2139 HydrophobicContact CB-CB 4.09Å; N1823-N2139 WeakPolarHBondContact CB-OD1 3.47Å; N1823-N2139 WeakPolarHBondContact ND2-CA 3.41Å; N1823-N2139 PolarHBondContact OD1-OD1 3.37Å; N1823-H2140 WeakPolarHBondContact CB-O 3.12Å; N1823-H2140 PolarHBondContact N-O 2.73Å; N1823-N2141 WeakPolarHBondContact O-CA 3.33Å; N1823-N2141 PolarHBondContact O-N 3.02Å; N1823-N2141 PolarHBondContact O-OD1 2.97Å
1824	S	27	Very low	27.7	Very low	81 Å²	81	146.2 Å²	146.2	57%	0.566	69%	0.691	S	S	*	*			cis	155.8	145.7	-0.4	-159.4	0	0	0	0	111.6	N2139 Q2142	S1824-N2139 WeakPolarHBondContact CA-OD1 3.32Å; S1824-N2139 PolarHBondContact N-OD1 3.09Å; S1824-N2139 WeakPolarHBondContact OG-CB 3.3Å; S1824-N2139 PolarHBondContact OG-ND2 2.97Å; S1824-Q2142 PolarHBondContact O-NE2 3.33Å
1825	L	28.6	Very low	27.6	Very low	136 Å²	136	142 Å²	142	71%	0.712	69%	0.689	S	S	*	*			trans	119.4	132.1	137.2	-77.2	148.6	0	0	0	114.5	N1827	L1825-N1827 HydrophobicContact CD2-CB 3.73Å; L1825-N1827 PolarHBondContact O-N 2.81Å
1826	H	28	Very low	27.7	Very low	156.6 Å²	156.6	141.9 Å²	141.9	73%	0.725	69%	0.688	S	S	*	*			trans	-84.2	144.2	143.4	-77.7	-56.6	0	0	0	112.4	T2213	H1826-T2213 PolarHBondContact ND1-OG1 3.37Å; H1826-T2213 VanDerWaalsContact ND1-OG1 3.14Å
1827	N	29	Very low	27.7	Very low	101.6 Å²	101.6	140.5 Å²	140.5	54%	0.543	69%	0.688	S	S	.	*			cis	-143.1	153.1	32.1	-139.7	-13.7	0	0	0	112.9	L1825 D2211 T2212 T2213 T2214	L1825-N1827 HydrophobicContact CD2-CB 3.73Å; L1825-N1827 PolarHBondContact O-N 2.81Å; N1827-D2211 WeakPolarHBondContact CB-O 3.44Å; N1827-D2211 PolarHBondContact ND2-O 3.24Å; N1827-D2211 PolarHBondContact OD1-O 3.48Å; N1827-T2212 WeakPolarHBondContact OD1-CA 3.24Å; N1827-T2213 CarbonylContact O-C 3.52Å; N1827-T2214 WeakPolarHBondContact O-CA 3.23Å; N1827-T2214 VanDerWaalsContact O-CG2 3.23Å; N1827-T2214 WeakPolarHBondContact O-CG2 3.15Å; N1827-T2214 PolarHBondContact O-N 3.48Å; N1827-T2214 VanDerWaalsContact O-N 3.12Å
1828	R	28.2	Very low	27.9	Very low	181 Å²	181	140.2 Å²	140.2	68%	0.683	69%	0.685	S	S	*	*			trans	7.4	136.3	175	-80	172	-172.3	179.7	-2.8	117.1	D2211 T2212 T2213	R1828-D2211 HydrophobicContact CB-CB 4.44Å; R1828-D2211 WeakPolarHBondContact CB-O 3.47Å; R1828-D2211 VanDerWaalsContact CZ-CB 3.41Å; R1828-D2211 IonicContact CZ-OD2 3.38Å; R1828-D2211 PolarHBondContact N-O 3.37Å; R1828-D2211 IonicContact NE-OD2 3.52Å; R1828-D2211 VanDerWaalsContact NH1-CB 3.31Å; R1828-D2211 VanDerWaalsContact NH1-CG 3.34Å; R1828-D2211 IonicContact NH1-OD2 2.72Å; R1828-D2211 PolarHBondContact NH1-OD2 3.12Å; R1828-D2211 IonicContact NH2-OD1 3.64Å; R1828-D2211 IonicContact NH2-OD2 2.71Å; R1828-D2211 PolarHBondContact NH2-OD2 3.33Å; R1828-T2212 VanDerWaalsContact CB-C 3.46Å; R1828-T2212 WeakPolarHBondContact CB-O 2.99Å; R1828-T2212 WeakPolarHBondContact CD-O 3.42Å; R1828-T2212 WeakPolarHBondContact CG-O 3.47Å; R1828-T2212 PolarHBondContact NE-O 3.15Å; R1828-T2212 PolarHBondContact NH2-OG1 2.99Å; R1828-T2213 VanDerWaalsContact CA-O 3.31Å; R1828-T2213 WeakPolarHBondContact CA-O 3.14Å
1829	K	28.4	Very low	28	Very low	171.8 Å²	171.8	139.6 Å²	139.6	75%	0.747	69%	0.685	S	S	*	*				-180	126	77.3	-78	171.9	-176.9	175.1	0	113.7	R1831 T2214 I2215	K1829-R1831 WeakPolarHBondContact CB-O 3.36Å; K1829-T2214 WeakPolarHBondContact CE-O 3.29Å; K1829-I2215 HydrophobicContact CG-CG1 4.28Å
1830	H	28.1	Very low	27.9	Very low	141.2 Å²	141.2	137.2 Å²	137.2	65%	0.654	68%	0.68	S	S	*	*			trans	-98	122.7	132.5	-80.8	-73.2	0	0	0	113.1	W1833	H1830-W1833 AromaticContact CE1-CD2 3.63Å; H1830-W1833 AromaticContact CE1-CE2 3.33Å; H1830-W1833 AromaticContact CE1-CE3 3.97Å; H1830-W1833 AromaticContact CE1-CH2 3.87Å; H1830-W1833 AromaticContact CE1-CZ2 3.5Å; H1830-W1833 AromaticContact CE1-NE1 3.71Å; H1830-W1833 AromaticContact ND1-CD1 3.42Å; H1830-W1833 AromaticContact ND1-CD2 3.39Å; H1830-W1833 AromaticContact ND1-CE2 3.33Å; H1830-W1833 VanDerWaalsContact ND1-CE2 3.33Å; H1830-W1833 AromaticContact ND1-CG 3.54Å; H1830-W1833 AromaticContact ND1-CZ2 3.99Å; H1830-W1833 AromaticContact ND1-NE1 3.3Å; H1830-W1833 PolarHBondContact ND1-NE1 2.88Å
1831	R	26.3	Very low	27.9	Very low	193 Å²	193	130.7 Å²	130.7	73%	0.728	67%	0.668	S	S	*	*			trans	-86.3	128.3	138.1	-79.4	-180	164.9	-161.3	1.5	111.6	K1829 V2465 H2466 I2467 D2468	K1829-R1831 WeakPolarHBondContact CB-O 3.36Å; R1831-V2465 PolarHBondContact NH2-O 2.89Å; R1831-H2466 HydrophobicContact CB-CB 4.38Å; R1831-I2467 HydrophobicContact CB-CB 4.49Å; R1831-I2467 HydrophobicContact CB-CG2 3.51Å; R1831-I2467 WeakPolarHBondContact O-CG2 3.37Å; R1831-D2468 VanDerWaalsContact NH1-N 3.12Å
1832	S	26.1	Very low	28	Very low	85.4 Å²	85.4	129.4 Å²	129.4	60%	0.597	67%	0.67	S	S	*	*				45.6	133.7	107.9	57.1	0	0	0	0	114.1	H2466 I2467	S1832-H2466 PolarHBondContact N-CD2 2.59Å; S1832-I2467 WeakPolarHBondContact OG-CG1 3.28Å
1833	W	25.6	Very low	28.1	Very low	212.4 Å²	212.4	128.1 Å²	128.1	81%	0.805	68%	0.675	S	S	*	*			trans	155.8	165.4	134.1	-89.3	30.4	0	0	0	112.8	H1830 T1835 I1838	H1830-W1833 AromaticContact CE1-CD2 3.63Å; H1830-W1833 AromaticContact CE1-CE2 3.33Å; H1830-W1833 AromaticContact CE1-CE3 3.97Å; H1830-W1833 AromaticContact CE1-CH2 3.87Å; H1830-W1833 AromaticContact CE1-CZ2 3.5Å; H1830-W1833 AromaticContact CE1-NE1 3.71Å; H1830-W1833 AromaticContact ND1-CD1 3.42Å; H1830-W1833 AromaticContact ND1-CD2 3.39Å; H1830-W1833 AromaticContact ND1-CE2 3.33Å; H1830-W1833 VanDerWaalsContact ND1-CE2 3.33Å; H1830-W1833 AromaticContact ND1-CG 3.54Å; H1830-W1833 AromaticContact ND1-CZ2 3.99Å; H1830-W1833 AromaticContact ND1-NE1 3.3Å; H1830-W1833 PolarHBondContact ND1-NE1 2.88Å; W1833-T1835 WeakPolarHBondContact CB-OG1 3.43Å; W1833-T1835 HydrophobicContact CE3-CG2 4.03Å; W1833-T1835 HydrophobicContact CZ3-CG2 4.49Å; W1833-I1838 HydrophobicContact CD2-CD1 4.34Å; W1833-I1838 HydrophobicContact CE3-CD1 3.67Å; W1833-I1838 HydrophobicContact CE3-CG1 4.18Å; W1833-I1838 HydrophobicContact CH2-CD1 3.67Å; W1833-I1838 HydrophobicContact CH2-CG1 3.5Å; W1833-I1838 VanDerWaalsContact CH2-CG1 3.5Å; W1833-I1838 HydrophobicContact CZ2-CD1 4.27Å; W1833-I1838 HydrophobicContact CZ2-CG1 4.45Å; W1833-I1838 HydrophobicContact CZ3-CD1 3.36Å; W1833-I1838 HydrophobicContact CZ3-CG1 3.35Å
1834	P	29.1	Very low	28	Very low	105 Å²	105	128.3 Å²	128.3	68%	0.682	68%	0.683	S	S	*	*			trans	-114.7	153.5	-133.2	31.2	-15.1	0	0	0	114.3
1835	T	27.9	Very low	28.2	Very low	123 Å²	123	133.2 Å²	133.2	76%	0.755	69%	0.694	S	S	*	*			trans	-114.3	127.2	140.6	-8.5	0	0	0	0	113.4	W1833	W1833-T1835 WeakPolarHBondContact CB-OG1 3.43Å; W1833-T1835 HydrophobicContact CE3-CG2 4.03Å; W1833-T1835 HydrophobicContact CZ3-CG2 4.49Å
1836	S	27.3	Very low	28.3	Very low	103.2 Å²	103.2	131.9 Å²	131.9	72%	0.722	70%	0.696	S	S	*	*			trans	144.2	144.9	143	54.8	0	0	0	0	113.9	I1838	S1836-I1838 PolarHBondContact O-N 3.2Å
1837	P	31.5	Very low	28.3	Very low	110.2 Å²	110.2	128.9 Å²	128.9	72%	0.716	70%	0.698	S	S	*	*				-105.3	160.1	-106.3	33.5	-24.9	0	0	0	113	E1769	E1769-P1837 WeakPolarHBondContact OE2-CA 2.92Å
1838	I	30.2	Very low	28.5	Very low	121.8 Å²	121.8	129.7 Å²	129.7	63%	0.625	71%	0.709	S	S	*	*			trans	-70.5	124	155.1	-75.5	147.1	0	0	0	114.6	E1769 K1771 W1833 S1836 L1840	E1769-I1838 HydrophobicContact CB-CG2 3.65Å; E1769-I1838 PolarHBondContact OE1-N 2.91Å; E1769-I1838 PolarHBondContact OE2-N 3.31Å; K1771-I1838 PolarHBondContact NZ-O 2.83Å; W1833-I1838 HydrophobicContact CD2-CD1 4.34Å; W1833-I1838 HydrophobicContact CE3-CD1 3.67Å; W1833-I1838 HydrophobicContact CE3-CG1 4.18Å; W1833-I1838 HydrophobicContact CH2-CD1 3.67Å; W1833-I1838 HydrophobicContact CH2-CG1 3.5Å; W1833-I1838 VanDerWaalsContact CH2-CG1 3.5Å; W1833-I1838 HydrophobicContact CZ2-CD1 4.27Å; W1833-I1838 HydrophobicContact CZ2-CG1 4.45Å; W1833-I1838 HydrophobicContact CZ3-CD1 3.36Å; W1833-I1838 HydrophobicContact CZ3-CG1 3.35Å; S1836-I1838 PolarHBondContact O-N 3.2Å; I1838-L1840 HydrophobicContact CG2-CD2 4.34Å; I1838-L1840 HydrophobicContact CG2-CG 4.24Å
1839	H	29.3	Very low	28.5	Very low	151.2 Å²	151.2	125.9 Å²	125.9	70%	0.7	71%	0.71	S	S	*	*			trans	-146.1	138.4	148.3	-105.9	-110.7	0	0	0	112.8	E1769 T1770 K1771	E1769-H1839 HydrophobicContact CB-CB 4.22Å; E1769-H1839 PolarHBondContact OE1-N 3.13Å; T1770-H1839 WeakPolarHBondContact CA-ND1 3.18Å; T1770-H1839 PolarHBondContact N-ND1 3.24Å; T1770-H1839 PolarHBondContact O-CE1 3.25Å; T1770-H1839 PolarHBondContact O-ND1 2.86Å; K1771-H1839 HydrophobicContact CB-CB 4.09Å; K1771-H1839 WeakPolarHBondContact CB-CD2 3.26Å; K1771-H1839 WeakPolarHBondContact CD-CD2 3.13Å; K1771-H1839 HydrophobicContact CG-CB 4.02Å; K1771-H1839 WeakPolarHBondContact CG-CD2 3.35Å; K1771-H1839 VanDerWaalsContact N-CB 3.28Å
1840	L	27.6	Very low	28.5	Very low	130.2 Å²	130.2	124.6 Å²	124.6	68%	0.682	71%	0.712	S	S	*	*			trans	106.5	119.1	138.8	-82.8	174.5	0	0	0	115	K1771 I1772 L1773 I1838	K1771-L1840 CarbonylContact C-O 3.4Å; K1771-L1840 WeakPolarHBondContact CA-O 3.47Å; K1771-L1840 PolarHBondContact N-O 2.72Å; I1772-L1840 PolarHBondContact N-O 3.37Å; L1773-L1840 HydrophobicContact CD1-CD1 3.86Å; L1773-L1840 HydrophobicContact CD2-CD1 4.1Å; I1838-L1840 HydrophobicContact CG2-CD2 4.34Å; I1838-L1840 HydrophobicContact CG2-CG 4.24Å
1841	S	27.1	Very low	28.6	Very low	84 Å²	84	128 Å²	128	59%	0.587	72%	0.72	S	S	*	*			trans	-141.8	131.7	141.2	54.6	0	0	0	0	116.4	I1772 S1843	I1772-S1841 PolarHBondContact O-OG 2.8Å; S1841-S1843 VanDerWaalsContact C-N 3.33Å; S1841-S1843 PolarHBondContact O-N 3.05Å
1842	S	27.9	Very low	28.6	Very low	98.8 Å²	98.8	127.3 Å²	127.3	69%	0.691	72%	0.722	S	S	*	*			trans	-83.4	138.5	162.9	63.3	0	0	0	0	115.1	C1844 S2493 P2494	S1842-C1844 PolarHBondContact O-N 3.26Å; S1842-S2493 VanDerWaalsContact O-CA 3.3Å; S1842-S2493 WeakPolarHBondContact O-CA 3.06Å; S1842-S2493 WeakPolarHBondContact O-CB 3.22Å; S1842-P2494 WeakPolarHBondContact OG-CA 3.4Å; S1842-P2494 PolarHBondContact OG-O 2.96Å
1843	S	27.6	Very low	28.7	Very low	98.4 Å²	98.4	131.3 Å²	131.3	69%	0.688	73%	0.729	S	S	*	*			trans	-106.9	130.2	153.6	17.8	0	0	0	0	114	S1841 T2492	S1841-S1843 VanDerWaalsContact C-N 3.33Å; S1841-S1843 PolarHBondContact O-N 3.05Å; S1843-T2492 CarbonylContact O-C 3.55Å; S1843-T2492 PolarHBondContact OG-O 3.29Å
1844	C	27.3	Very low	28.8	Very low	108.8 Å²	108.8	128.7 Å²	128.7	74%	0.735	73%	0.726	S	S	*	*			trans	170.5	124.6	154.3	-73.3	0	0	0	0	116.2	S1842 C2491 T2492	S1842-C1844 PolarHBondContact O-N 3.26Å; C1844-C2491 CarbonylContact C-O 3.37Å; C1844-T2492 PolarHBondContact O-N 2.91Å
1845	K	30.8	Very low	28.8	Very low	184 Å²	184	128.9 Å²	128.9	80%	0.8	72%	0.721	S	S	*	*				-177.6	134.7	116.9	-90.5	172.3	-176.5	174.6	0	112.7	C2491	K1845-C2491 PolarHBondContact N-O 2.91Å
1846	S	30	Very low	28.8	Very low	109 Å²	109	129 Å²	129	76%	0.762	72%	0.718	S	S	*	*				72.8	134.5	102.6	52.5	0	0	0	0	117.5
1847	A	28	Very low	28.8	Very low	92.8 Å²	92.8	130.3 Å²	130.3	77%	0.767	72%	0.716	S	S	*	*			trans	-83.2	157.6	154.4	0	0	0	0	0	110.1
1848	P	33.2	Very low	28.7	Very low	118.6 Å²	118.6	135 Å²	135	77%	0.77	72%	0.721	S	S	*	*				-130.2	158.5	78	38.4	-24	0	0	0	114.1
1849	S	29.7	Very low	28.6	Very low	100.6 Å²	100.6	134.8 Å²	134.8	70%	0.703	73%	0.726	S	S	*	*				-17	140.7	125.4	51.1	0	0	0	0	116.2	Y1851	S1849-Y1851 PolarHBondContact O-N 3.36Å
1850	N	28.7	Very low	28.7	Very low	145 Å²	145	134.9 Å²	134.9	78%	0.775	73%	0.73	S	S	*	*			trans	-171	136	130.5	-107.3	-20.4	0	0	0	114.7
1851	Y	28.6	Very low	28.7	Very low	211.8 Å²	211.8	139 Å²	139	83%	0.831	74%	0.736	S	S	*	*			trans	-163.3	151.7	148.1	-92.1	-71.9	0	0	0	114.2	S1849 F1853	S1849-Y1851 PolarHBondContact O-N 3.36Å; Y1851-F1853 HydrophobicContact CD1-CD2 4.01Å; Y1851-F1853 HydrophobicContact CD1-CE2 4.27Å; Y1851-F1853 AromaticContact CE1-CD2 3.77Å; Y1851-F1853 HydrophobicContact CE1-CD2 3.77Å; Y1851-F1853 AromaticContact CE1-CE2 3.55Å; Y1851-F1853 HydrophobicContact CE1-CE2 3.55Å
1852	K	27	Very low	28.8	Very low	179 Å²	179	141.2 Å²	141.2	78%	0.778	74%	0.742	S	S	*	*			trans	-149.2	152.4	-158.3	-159.4	179.7	178.5	-176.5	0	110.9
1853	F	27.4	Very low	28.9	Very low	168.8 Å²	168.8	141.2 Å²	141.2	74%	0.74	74%	0.742	S	S	*	*			trans	116.5	138	174.3	-77.9	-66	0	0	0	112.9	Y1851 N1855	Y1851-F1853 HydrophobicContact CD1-CD2 4.01Å; Y1851-F1853 HydrophobicContact CD1-CE2 4.27Å; Y1851-F1853 AromaticContact CE1-CD2 3.77Å; Y1851-F1853 HydrophobicContact CE1-CD2 3.77Å; Y1851-F1853 AromaticContact CE1-CE2 3.55Å; Y1851-F1853 HydrophobicContact CE1-CE2 3.55Å; F1853-N1855 VanDerWaalsContact C-N 3.26Å; F1853-N1855 PolarHBondContact O-N 2.72Å
1854	Q	29.2	Very low	29	Very low	157.8 Å²	157.8	145.2 Å²	145.2	74%	0.737	75%	0.75	S	S	*	*			cis	-155.9	134.9	16.5	-155.1	174.5	-18.8	0	0	109.4
1855	N	27.5	Very low	29.1	Very low	109 Å²	109	144.9 Å²	144.9	58%	0.583	75%	0.749	S	S	*	*			trans	66.9	171.7	140.9	-84.6	27.4	0	0	0	114.9	F1853	F1853-N1855 VanDerWaalsContact C-N 3.26Å; F1853-N1855 PolarHBondContact O-N 2.72Å
1856	D	29.3	Very low	29	Very low	127 Å²	127	141.4 Å²	141.4	68%	0.679	75%	0.747	S	S	*	*			cis	-158.3	164.2	4.4	-92.4	-42.7	0	0	0	112.5
1857	D	27.1	Very low	29	Very low	128.8 Å²	128.8	141.1 Å²	141.1	69%	0.689	75%	0.745	S	S	*	*			trans	61	150.2	171.8	-99.8	-22	0	0	0	118.6
1858	Y	28.7	Very low	29.1	Very low	208.8 Å²	208.8	141.7 Å²	141.7	82%	0.819	74%	0.744	S	S	*	*			trans	117.8	143.3	136.8	-81.7	-87.7	0	0	0	116.4
1859	T	28.1	Very low	29	Very low	119 Å²	119	141.1 Å²	141.1	73%	0.73	74%	0.742	S	S	*	*			trans	-148.1	147.2	173.7	27.6	0	0	0	0	113.3
1860	I	30.8	Very low	29	Very low	152.6 Å²	152.6	141.5 Å²	141.5	78%	0.783	75%	0.745	S	S	*	*			trans	164.7	118.6	134.9	-68.9	175.1	0	0	0	111.5
1861	R	29	Very low	29.1	Very low	215.6 Å²	215.6	139.4 Å²	139.4	81%	0.814	74%	0.742	S	S	*	*				40.9	149.2	108.3	-83.1	175.9	165.5	172.9	1.3	118.1
1862	D	29.2	Very low	29.2	Very low	131 Å²	131	134 Å²	134	70%	0.701	74%	0.735	S	S	*	*				-176.5	163.3	67.5	-75.5	-48.8	0	0	0	114.7
1863	S	29.1	Very low	29.3	Very low	99.8 Å²	99.8	130.4 Å²	130.4	70%	0.698	73%	0.732	S	S	*	*				120	164.8	124.9	-60.7	0	0	0	0	114.9
1864	E	30.4	Very low	29.6	Very low	182.4 Å²	182.4	127.4 Å²	127.4	85%	0.852	73%	0.73	S	S	*	*			cis	165.9	163.3	48.2	-93	175.1	-162.6	0	0	116.3
1865	S	29	Very low	29.8	Very low	101.4 Å²	101.4	124.8 Å²	124.8	71%	0.709	73%	0.727	S	S	*	*			trans	179.1	142.7	171.2	65.6	0	0	0	0	118
1866	S	28.9	Very low	30	Very low	110.2 Å²	110.2	126.6 Å²	126.6	77%	0.771	74%	0.735	S	S	*	*			trans	64.3	141	154.7	56.5	0	0	0	0	118.9
1867	S	30.4	Very low	30	Very low	102.6 Å²	102.6	127.2 Å²	127.2	72%	0.717	74%	0.737	S	S	*	*			cis	178.1	151	24.8	50.5	0	0	0	0	114.2
1868	S	29.8	Very low	30	Very low	106.8 Å²	106.8	125.5 Å²	125.5	75%	0.747	74%	0.735	S	S	*	*			trans	82.9	149.2	140	60.4	0	0	0	0	119.5
1869	S	30.9	Very low	30	Very low	104.4 Å²	104.4	125.5 Å²	125.5	73%	0.73	73%	0.733	S	S	*	*				113	132.6	128.9	53.4	0	0	0	0	116.8
1870	S	30.7	Very low	30	Very low	109.8 Å²	109.8	123.7 Å²	123.7	77%	0.768	73%	0.73	S	S	*	*				147.3	135.4	115.1	51.4	0	0	0	0	115.4
1871	S	30.5	Very low	30	Very low	101.4 Å²	101.4	121.6 Å²	121.6	71%	0.709	72%	0.724	S	S	*	*			trans	102.2	143	152.4	60.1	0	0	0	0	117.1
1872	S	31.1	Very low	30.1	Very low	97.4 Å²	97.4	117.2 Å²	117.2	68%	0.681	72%	0.717	S	S	*	*				175.8	132.9	57.6	50.1	0	0	0	0	116.2	F2510 D2511	S1872-F2510 VanDerWaalsContact C-CB 3.5Å; S1872-F2510 VanDerWaalsContact O-CD1 3.25Å; S1872-F2510 WeakPolarHBondContact O-CD1 3.2Å; S1872-F2510 WeakPolarHBondContact O-CD2 3.3Å; S1872-F2510 WeakPolarHBondContact O-CE1 2.86Å; S1872-F2510 VanDerWaalsContact O-CG 3.23Å; S1872-F2510 WeakPolarHBondContact O-CG 3.44Å; S1872-D2511 VanDerWaalsContact CA-OD1 3.29Å; S1872-D2511 WeakPolarHBondContact CA-OD1 3.28Å; S1872-D2511 WeakPolarHBondContact CB-OD1 3.24Å
1873	S	28.2	Very low	30.1	Very low	103.6 Å²	103.6	117 Å²	117	72%	0.724	72%	0.716	S	S	*	*			trans	29.6	141.8	147.4	-37	0	0	0	0	117.2	F2510 D2511	S1873-F2510 VanDerWaalsContact O-CA 3.23Å; S1873-F2510 WeakPolarHBondContact O-CA 3.26Å; S1873-F2510 WeakPolarHBondContact O-CB 3.44Å; S1873-F2510 WeakPolarHBondContact O-CD2 3.2Å; S1873-F2510 PolarHBondContact O-N 2.7Å; S1873-D2511 VanDerWaalsContact CA-CB 3.45Å; S1873-D2511 WeakPolarHBondContact CA-OD2 3.24Å; S1873-D2511 VanDerWaalsContact N-CB 3.33Å; S1873-D2511 PolarHBondContact N-OD1 2.84Å; S1873-D2511 PolarHBondContact N-OD2 3.06Å; S1873-D2511 PolarHBondContact O-N 2.86Å; S1873-D2511 PolarHBondContact OG-OD2 3.23Å; S1873-D2511 VanDerWaalsContact OG-OD2 3.12Å
1874	P	34	Very low	30.1	Very low	106.6 Å²	106.6	117.5 Å²	117.5	69%	0.692	72%	0.718	S	S	*	*			trans	-112.2	-168.7	-163.3	41.9	-28.8	0	0	0	111.5	D2511	P1874-D2511 HydrophobicContact CB-CB 3.9Å; P1874-D2511 HydrophobicContact CG-CB 3.73Å
1875	P	33.7	Very low	30	Very low	102.6 Å²	102.6	114.2 Å²	114.2	67%	0.666	71%	0.711	S	S	*	*			cis	-120.7	174.5	20.6	30.8	-15.7	0	0	0	113.9	P2508 D2509	P1875-P2508 CarbonylContact C-O 3.53Å; P1875-P2508 HydrophobicContact CG-CB 4.22Å; P1875-P2508 HydrophobicContact CG-CG 3.74Å; P1875-P2508 WeakPolarHBondContact CG-O 3.27Å; P1875-P2508 CarbonylContact O-C 3.32Å; P1875-P2508 VanDerWaalsContact O-O 3.13Å; P1875-D2509 PolarHBondContact O-N 3.14Å
1876	I	32	Very low	30.2	Very low	146.8 Å²	146.8	114.4 Å²	114.4	75%	0.753	71%	0.709	S	S	*	*				151.9	121.9	107.8	-65.4	169.8	0	0	0	112.8
1877	L	28.7	Very low	30.1	Very low	139.6 Å²	139.6	116.6 Å²	116.6	73%	0.731	71%	0.711	S	S	*	*			trans	23.2	128	153.5	-101.2	107.4	0	0	0	118	R1879 V1912 E2507	L1877-R1879 HydrophobicContact CD2-CB 3.92Å; L1877-R1879 HydrophobicContact CD2-CG 4.19Å; L1877-V1912 HydrophobicContact CG-CG1 4.49Å; L1877-E2507 VanDerWaalsContact C-OE1 3.24Å; L1877-E2507 WeakPolarHBondContact CA-OE1 3.49Å; L1877-E2507 PolarHBondContact N-OE1 2.79Å
1878	C	27.6	Very low	30.2	Very low	93.6 Å²	93.6	117.5 Å²	117.5	63%	0.632	71%	0.713	S	S	*	*			trans	158.7	122.3	142.1	-73	0	0	0	0	115	S1911 V1912 E2507	C1878-S1911 VanDerWaalsContact SG-CA 3.5Å; C1878-V1912 PolarHBondContact SG-N 2.69Å; C1878-E2507 PolarHBondContact N-OE1 3.17Å
1879	R	28.5	Very low	30.1	Very low	208.2 Å²	208.2	116.3 Å²	116.3	79%	0.786	71%	0.71	S	S	*	*				64.8	127.6	100.7	-112	-173.1	-172.2	174.6	4.5	116.7	L1877 H1910 S1911 V1912	L1877-R1879 HydrophobicContact CD2-CB 3.92Å; L1877-R1879 HydrophobicContact CD2-CG 4.19Å; R1879-H1910 PolarHBondContact NH1-O 2.68Å; R1879-H1910 VanDerWaalsContact NH1-O 3.11Å; R1879-S1911 VanDerWaalsContact CB-N 3.3Å; R1879-S1911 VanDerWaalsContact CD-C 3.43Å; R1879-S1911 WeakPolarHBondContact CD-O 3.34Å; R1879-S1911 PolarHBondContact NE-O 3.27Å; R1879-S1911 PolarHBondContact NH1-O 2.79Å; R1879-S1911 VanDerWaalsContact NH1-O 3.15Å; R1879-S1911 PolarHBondContact NH2-O 3.36Å; R1879-S1911 VanDerWaalsContact NH2-O 3.15Å; R1879-V1912 VanDerWaalsContact CZ-O 3.24Å; R1879-V1912 PolarHBondContact NE-O 3.42Å; R1879-V1912 PolarHBondContact NH2-O 3.29Å
1880	A	27.5	Very low	30.3	Very low	80.4 Å²	80.4	117.5 Å²	117.5	66%	0.664	72%	0.715	S	S	*	*				113.7	174.1	74.7	0	0	0	0	0	111.5
1881	V	30.2	Very low	30.1	Very low	109.4 Å²	109.4	117 Å²	117	66%	0.663	71%	0.711	S	S	*	*				-177.3	131.3	58.8	-164.3	0	0	0	0	113.3
1882	N	31.1	Very low	30.2	Very low	122.6 Å²	122.6	119.8 Å²	119.8	66%	0.656	72%	0.718	S	S	*	*			trans	55.8	125.6	139.1	-61.3	-4.3	0	0	0	118.6
1883	N	30.3	Very low	30.1	Very low	127.2 Å²	127.2	122.1 Å²	122.1	68%	0.68	72%	0.721	S	S	*	*				120.9	136	97	-82.8	-2.6	0	0	0	115.5
1884	C	28.1	Very low	30.4	Very low	110.6 Å²	110.6	121.6 Å²	121.6	75%	0.747	72%	0.715	S	S	*	*			trans	-130.3	117.4	150.5	-85	0	0	0	0	114.1
1885	T	28.8	Very low	30.2	Very low	114 Å²	114	125.3 Å²	125.3	70%	0.699	72%	0.721	S	S	*	*			trans	-47.2	174.7	156.5	34.1	0	0	0	0	113.9
1886	P	32.5	Very low	29.9	Very low	104.2 Å²	104.2	126.9 Å²	126.9	68%	0.677	72%	0.723	S	S	*	*			cis	-124.4	-174.3	-35.6	37.5	-21.4	0	0	0	113.7	T1888	P1886-T1888 WeakPolarHBondContact CD-OG1 3.25Å; P1886-T1888 WeakPolarHBondContact CG-OG1 3.3Å; P1886-T1888 PolarHBondContact O-N 2.91Å; P1886-T1888 VanDerWaalsContact O-N 3.12Å
1887	L	28.1	Very low	29.9	Very low	155.8 Å²	155.8	125.5 Å²	125.5	82%	0.816	72%	0.722	S	S	*	*			trans	-151.5	130.8	143.4	-87.4	124.9	0	0	0	112.5
1888	T	32	Very low	30	Very low	123.4 Å²	123.4	124.3 Å²	124.3	76%	0.757	72%	0.721	S	S	*	*				78	136.1	125.1	-11.7	0	0	0	0	115.2	P1886	P1886-T1888 WeakPolarHBondContact CD-OG1 3.25Å; P1886-T1888 WeakPolarHBondContact CG-OG1 3.3Å; P1886-T1888 PolarHBondContact O-N 2.91Å; P1886-T1888 VanDerWaalsContact O-N 3.12Å
1889	A	28.6	Very low	30.1	Very low	81.2 Å²	81.2	125.9 Å²	125.9	67%	0.671	72%	0.723	S	S	*	*			trans	-65.7	152.2	157.4	0	0	0	0	0	112.5	S1891	A1889-S1891 WeakPolarHBondContact O-CB 3.27Å; A1889-S1891 PolarHBondContact O-N 3.27Å; A1889-S1891 PolarHBondContact O-OG 2.85Å
1890	P	33.7	Very low	30.2	Very low	128.2 Å²	128.2	121.9 Å²	121.9	83%	0.832	72%	0.717	S	S	*	*			trans	-105.3	141.4	141.4	35	-28.8	0	0	0	112.7
1891	S	27	Very low	30.4	Very low	100.6 Å²	100.6	125.6 Å²	125.6	70%	0.703	72%	0.721	S	S	*	*			trans	-135.6	125.7	162.9	-19.9	0	0	0	0	114.1	A1889	A1889-S1891 WeakPolarHBondContact O-CB 3.27Å; A1889-S1891 PolarHBondContact O-N 3.27Å; A1889-S1891 PolarHBondContact O-OG 2.85Å
1892	L	32.8	Very low	30.6	Very low	159.8 Å²	159.8	128.6 Å²	128.6	84%	0.837	73%	0.725	S	S	*	*			trans	160.4	123.6	154.4	-73.2	171.8	0	0	0	111.7
1893	I	29.3	Very low	30.4	Very low	145.2 Å²	145.2	127.8 Å²	127.8	75%	0.745	73%	0.729	S	S	*	*				67.2	129.8	56.6	-56	173.5	0	0	0	111.9
1894	P	34.7	Very low	30.8	Very low	94.6 Å²	94.6	127 Å²	127	61%	0.614	73%	0.73	S	S	*	*			cis	-135.2	172	2.8	37.3	-18.9	0	0	0	115.3
1895	F	29.7	Very low	30.9	Very low	183.6 Å²	183.6	128.5 Å²	128.5	81%	0.805	73%	0.73	S	S	*	*			trans	86.7	131.4	138.3	-64.9	-66.2	0	0	0	116.2
1896	N	26.2	Very low	31	Very low	135.2 Å²	135.2	130.6 Å²	130.6	72%	0.723	74%	0.735	S	S	*	*				62.2	122	68.1	-115.3	10.4	0	0	0	115.2
1897	T	32.6	Very low	31	Very low	118.2 Å²	118.2	128.7 Å²	128.7	73%	0.725	74%	0.735	S	S	*	*				-107.3	137	127.7	42.9	0	0	0	0	112.8
1898	T	31	Very low	31	Very low	115.2 Å²	115.2	126.7 Å²	126.7	71%	0.707	73%	0.734	S	S	*	*				85.9	139.9	73.5	29.1	0	0	0	0	115.2
1899	D	29.8	Very low	30.8	Very low	126.4 Å²	126.4	125.4 Å²	125.4	68%	0.676	73%	0.73	S	S	*	*			trans	36.2	127	144.9	-76.7	-26.5	0	0	0	117.4
1900	N	30.9	Very low	30.8	Very low	124.6 Å²	124.6	129.5 Å²	129.5	67%	0.666	74%	0.735	S	S	*	*				125.9	114.3	95.1	-78.5	-49.4	0	0	0	118.1
1901	H	32	Very low	30.5	Very low	158 Å²	158	127.6 Å²	127.6	73%	0.731	72%	0.724	S	S	*	*			trans	65.8	131.3	145.2	-57.7	-54.9	0	0	0	120.9
1902	K	33.1	Very low	30.6	Very low	172.2 Å²	172.2	128.1 Å²	128.1	75%	0.749	72%	0.723	S	S	*	*			trans	131.6	137.5	150.3	-64.9	163.9	166	-167.5	0	116	S1406 L1407 F1408	S1406-K1902 WeakPolarHBondContact CB-O 3.23Å; S1406-K1902 WeakPolarHBondContact O-CE 3.27Å; S1406-K1902 PolarHBondContact O-NZ 2.83Å; S1406-K1902 PolarHBondContact OG-NZ 2.84Å; L1407-K1902 WeakPolarHBondContact O-CB 3.32Å; L1407-K1902 WeakPolarHBondContact O-CE 3.42Å; L1407-K1902 WeakPolarHBondContact O-CG 3.07Å; L1407-K1902 PolarHBondContact O-NZ 2.9Å; F1408-K1902 HydrophobicContact CB-CB 4.43Å; F1408-K1902 HydrophobicContact CB-CG 4.35Å; F1408-K1902 HydrophobicContact CD2-CB 3.9Å
1903	S	27.1	Very low	30.3	Very low	106.2 Å²	106.2	130.1 Å²	130.1	74%	0.743	72%	0.719	S	S	*	*			trans	59.4	164.5	145.9	23	0	0	0	0	116.1
1904	P	37.9	Very low	30.2	Very low	108.8 Å²	108.8	128.7 Å²	128.7	71%	0.706	71%	0.714	S	S	*	*			cis	-126.3	-153.6	-40.3	29.4	-7.4	0	0	0	114.8	F1408	F1408-P1904 WeakPolarHBondContact CE2-O 3.46Å
1905	L	30.8	Very low	30	Very low	142.4 Å²	142.4	130.9 Å²	130.9	75%	0.746	72%	0.716	S	S	*	*			trans	122.4	133.2	166.2	-94.4	105.3	0	0	0	115.1	F1408	F1408-L1905 HydrophobicContact CE1-CB 4.17Å; F1408-L1905 HydrophobicContact CE1-CD2 4.45Å; F1408-L1905 HydrophobicContact CZ-CB 3.76Å
1906	I	32.2	Very low	29.9	Very low	158.8 Å²	158.8	128.5 Å²	128.5	81%	0.814	71%	0.71	S	S	*	*				69.9	136.2	114.2	-70.6	166.1	0	0	0	115.4
1907	G	30.8	Very low	30.1	Very low	65 Å²	65	127.3 Å²	127.3	67%	0.67	70%	0.704	S	S	*	*			cis	158.3	139.7	20.2	0	0	0	0	0	113.5
1908	S	29.3	Very low	30	Very low	112.2 Å²	112.2	129.2 Å²	129.2	79%	0.785	70%	0.704	S	S	*	*			trans	112.1	137.4	131.5	-10.9	0	0	0	0	116.2
1909	S	27.3	Very low	29.7	Very low	96.4 Å²	96.4	128.5 Å²	128.5	67%	0.674	71%	0.705	S	S	*	*				111	134.1	104.6	56	0	0	0	0	117.4
1910	H	29.8	Very low	29.9	Very low	167.2 Å²	167.2	127.6 Å²	127.6	77%	0.774	71%	0.706	S	S	*	*				122.8	141.1	127	-78.7	-61.9	0	0	0	115.9	R1879	R1879-H1910 PolarHBondContact NH1-O 2.68Å; R1879-H1910 VanDerWaalsContact NH1-O 3.11Å
1911	S	26	Very low	29.7	Very low	88.2 Å²	88.2	128.5 Å²	128.5	62%	0.617	71%	0.709	S	S	*	*				91.9	134	64	-145.1	0	0	0	0	116.9	C1878 R1879	C1878-S1911 VanDerWaalsContact SG-CA 3.5Å; R1879-S1911 VanDerWaalsContact CB-N 3.3Å; R1879-S1911 VanDerWaalsContact CD-C 3.43Å; R1879-S1911 WeakPolarHBondContact CD-O 3.34Å; R1879-S1911 PolarHBondContact NE-O 3.27Å; R1879-S1911 PolarHBondContact NH1-O 2.79Å; R1879-S1911 VanDerWaalsContact NH1-O 3.15Å; R1879-S1911 PolarHBondContact NH2-O 3.36Å; R1879-S1911 VanDerWaalsContact NH2-O 3.15Å
1912	V	28.5	Very low	29.8	Very low	112.2 Å²	112.2	126.3 Å²	126.3	68%	0.68	71%	0.71	S	S	*	*			trans	131.1	128.8	151.3	-148.3	0	0	0	0	115.1	L1877 C1878 R1879 N1914	L1877-V1912 HydrophobicContact CG-CG1 4.49Å; C1878-V1912 PolarHBondContact SG-N 2.69Å; R1879-V1912 VanDerWaalsContact CZ-O 3.24Å; R1879-V1912 PolarHBondContact NE-O 3.42Å; R1879-V1912 PolarHBondContact NH2-O 3.29Å; V1912-N1914 PolarHBondContact O-N 2.95Å
1913	R	27.2	Very low	29.8	Very low	200.8 Å²	200.8	123.3 Å²	123.3	76%	0.758	71%	0.708	S	S	*	*				118	144	96.4	-140.5	-177.2	170.2	175.6	0.7	115.5	H2530	R1913-H2530 PolarHBondContact NH2-O 3.31Å
1914	N	28.3	Very low	29.8	Very low	116.2 Å²	116.2	124.1 Å²	124.1	62%	0.621	71%	0.708	S	S	*	*				105.4	154.8	92.6	-98.3	19	0	0	0	115.4	V1912	V1912-N1914 PolarHBondContact O-N 2.95Å
1915	Q	29	Very low	29.3	Very low	140.2 Å²	140.2	125.1 Å²	125.1	66%	0.655	71%	0.706	S	S	*	*			cis	152.5	155.4	10.7	-95.9	171.7	-34.2	0	0	112.7
1916	L	29	Very low	29.2	Very low	133.6 Å²	133.6	125.5 Å²	125.5	70%	0.699	71%	0.708	S	S	*	*			cis	158.1	152.2	29	-100.1	167.3	0	0	0	113.5
1917	N	29.2	Very low	29	Very low	111.2 Å²	111.2	122.9 Å²	122.9	60%	0.595	70%	0.699	S	S	*	*			trans	98.9	136.7	138.5	-77.8	-4	0	0	0	118.7	S2059	N1917-S2059 PolarHBondContact ND2-OG 2.66Å; N1917-S2059 VanDerWaalsContact ND2-OG 3.09Å
1918	H	30.6	Very low	28.8	Very low	156.6 Å²	156.6	126.1 Å²	126.1	73%	0.725	70%	0.701	S	S	*	*			trans	76.2	136.5	140.4	-63.9	-59.3	0	0	0	119.9	I2057 A2058 S2059	H1918-I2057 HydrophobicContact CB-CG2 4.24Å; H1918-I2057 WeakPolarHBondContact O-CD1 3.45Å; H1918-I2057 WeakPolarHBondContact O-CG1 3.35Å; H1918-I2057 WeakPolarHBondContact O-CG2 3.07Å; H1918-A2058 HydrophobicContact CB-CB 3.71Å; H1918-A2058 PolarHBondContact CD2-O 3.32Å; H1918-A2058 VanDerWaalsContact CG-O 3.29Å; H1918-S2059 PolarHBondContact CD2-OG 3.37Å; H1918-S2059 VanDerWaalsContact CD2-OG 3.26Å; H1918-S2059 PolarHBondContact NE2-OG 3.4Å
1919	S	24.8	Very low	28.8	Very low	101.8 Å²	101.8	127.2 Å²	127.2	71%	0.712	70%	0.698	S	S	*	*			trans	-106.7	173.9	158	19.6	0	0	0	0	110.8	L2056	S1919-L2056 WeakPolarHBondContact OG-CD2 3.43Å
1920	P	33.3	Very low	28.9	Very low	107.4 Å²	107.4	128.1 Å²	128.1	70%	0.697	70%	0.699	S	S	*	*			cis	-135.1	153.3	11.6	38.6	-23	0	0	0	116.1
1921	L	27.3	Very low	28.7	Very low	142.2 Å²	142.2	128.7 Å²	128.7	75%	0.745	70%	0.7	S	S	*	*			trans	68.9	151.4	155.8	-82.3	124.6	0	0	0	117.6	L2054 T2055 L2056	L1921-L2054 HydrophobicContact CD1-CD2 4.23Å; L1921-L2054 HydrophobicContact CD2-CD2 3.54Å; L1921-T2055 HydrophobicContact CB-CG2 4.11Å; L1921-T2055 HydrophobicContact CD1-CG2 3.71Å; L1921-T2055 HydrophobicContact CD2-CG2 4.22Å; L1921-T2055 HydrophobicContact CG-CG2 4.21Å; L1921-L2056 HydrophobicContact CB-CD1 4.01Å; L1921-L2056 HydrophobicContact CB-CD2 4.06Å; L1921-L2056 HydrophobicContact CB-CG 4.14Å; L1921-L2056 HydrophobicContact CD1-CD2 4.48Å
1922	P	34.2	Very low	28.8	Very low	113.6 Å²	113.6	129.4 Å²	129.4	74%	0.738	71%	0.705	S	S	*	*			trans	-106.6	-165.8	155	27.1	-12.4	0	0	0	112.6	V1924	P1922-V1924 HydrophobicContact CB-CG2 4.2Å; P1922-V1924 HydrophobicContact CG-CG2 4.17Å
1923	P	33.1	Very low	28.8	Very low	108.6 Å²	108.6	132.4 Å²	132.4	71%	0.705	71%	0.711	S	S	*	*				-122	-172.8	-116.6	41.4	-25.6	0	0	0	113.9
1924	V	27.8	Very low	28.8	Very low	122.8 Å²	122.8	128.7 Å²	128.7	74%	0.744	71%	0.711	S	S	*	*			trans	149.3	127.2	156.7	162.2	0	0	0	0	113.1	P1922	P1922-V1924 HydrophobicContact CB-CG2 4.2Å; P1922-V1924 HydrophobicContact CG-CG2 4.17Å
1925	L	27.8	Very low	28.8	Very low	130.2 Å²	130.2	130.1 Å²	130.1	68%	0.682	72%	0.717	S	S	*	*			cis	103.1	132.6	48.4	-78.6	172.2	0	0	0	113.7
1926	I	27.5	Very low	28.6	Very low	150 Å²	150	130.9 Å²	130.9	77%	0.769	73%	0.725	S	S	*	*				-161.3	129	103.1	-45.7	-179.3	0	0	0	109.6
1927	T	28.4	Very low	28.4	Very low	103.6 Å²	103.6	129.5 Å²	129.5	64%	0.636	73%	0.726	S	S	*	*				-150.6	155.5	61.5	47.2	0	0	0	0	113
1928	N	27.6	Very low	28.6	Very low	132.6 Å²	132.6	129 Å²	129	71%	0.709	73%	0.729	S	S	*	*			trans	-97.6	141.7	144.7	-83.7	26.3	0	0	0	114.8
1929	D	27.3	Very low	28.4	Very low	135.2 Å²	135.2	128.5 Å²	128.5	72%	0.723	73%	0.73	S	S	*	*			trans	-159.2	147.4	131.5	-87.9	-41.9	0	0	0	113.1
1930	V	29.6	Very low	28.5	Very low	116.4 Å²	116.4	132.3 Å²	132.3	71%	0.705	73%	0.734	S	S	*	*				162.2	129.6	98.7	179.6	0	0	0	0	113.6
1931	K	26.2	Very low	28.1	Very low	180.2 Å²	180.2	131.4 Å²	131.4	78%	0.783	73%	0.731	S	S	*	*			trans	30.6	132.5	149.9	-71.2	168.3	-173.6	174.4	0	115.5
1932	S	27.1	Very low	28.2	Very low	102.6 Å²	102.6	130 Å²	130	72%	0.717	73%	0.728	S	S	*	*				167.9	136.1	66	27	0	0	0	0	114.2
1933	E	29.5	Very low	27.9	Very low	175.6 Å²	175.6	128.5 Å²	128.5	82%	0.821	72%	0.72	S	S	*	*			trans	80.9	125.3	161.1	-72.9	175	-165.5	0	0	117.9
1934	T	28	Very low	27.6	Very low	121.8 Å²	121.8	130.6 Å²	130.6	75%	0.747	73%	0.725	S	S	*	*				78.9	91.8	100.5	-38.4	0	0	0	0	117
1935	I	27.3	Very low	27.6	Very low	145.8 Å²	145.8	129.6 Å²	129.6	75%	0.748	72%	0.723	S	S	*	*			trans	104.8	119.5	132	-76.7	166.2	0	0	0	114.3
1936	L	26	Very low	27.6	Very low	157.4 Å²	157.4	127.4 Å²	127.4	82%	0.824	72%	0.724	S	S	*	*			trans	43.4	116.2	144	-74.9	138	0	0	0	117.9
1937	S	24.7	Very low	27.5	Very low	104.2 Å²	104.2	127 Å²	127	73%	0.729	72%	0.718	S	S	*	*			trans	163.8	146.6	137.9	-15.7	0	0	0	0	112.5	I1939	S1937-I1939 PolarHBondContact O-N 3.08Å
1938	P	32.2	Very low	27.4	Very low	99.8 Å²	99.8	131.7 Å²	131.7	65%	0.648	72%	0.724	S	S	*	*				-117.1	156.3	-117.6	36.2	-25.9	0	0	0	114.5	F1940	P1938-F1940 HydrophobicContact CG-CD1 4.24Å; P1938-F1940 HydrophobicContact CG-CD2 4.11Å; P1938-F1940 HydrophobicContact CG-CE1 3.96Å; P1938-F1940 HydrophobicContact CG-CE2 3.8Å; P1938-F1940 HydrophobicContact CG-CG 4.31Å; P1938-F1940 HydrophobicContact CG-CZ 3.72Å; P1938-F1940 PolarHBondContact O-N 2.8Å
1939	I	26.4	Very low	27.4	Very low	147.6 Å²	147.6	131.9 Å²	131.9	76%	0.757	72%	0.724	S	S	*	*			trans	-96.3	109.2	150.3	-60	175.2	0	0	0	112.1	S1937 S1941	S1937-I1939 PolarHBondContact O-N 3.08Å; I1939-S1941 PolarHBondContact O-N 3.47Å
1940	F	26.5	Very low	27.5	Very low	179.8 Å²	179.8	131.6 Å²	131.6	79%	0.789	72%	0.723	S	S	*	*			trans	24.8	125.2	142.7	-84.1	-81	0	0	0	112	P1938 N1965	P1938-F1940 HydrophobicContact CG-CD1 4.24Å; P1938-F1940 HydrophobicContact CG-CD2 4.11Å; P1938-F1940 HydrophobicContact CG-CE1 3.96Å; P1938-F1940 HydrophobicContact CG-CE2 3.8Å; P1938-F1940 HydrophobicContact CG-CG 4.31Å; P1938-F1940 HydrophobicContact CG-CZ 3.72Å; P1938-F1940 PolarHBondContact O-N 2.8Å; F1940-N1965 WeakPolarHBondContact CA-ND2 3.15Å; F1940-N1965 PolarHBondContact N-ND2 2.82Å
1941	S	26.5	Very low	27.5	Very low	89.8 Å²	89.8	132.5 Å²	132.5	63%	0.628	72%	0.719	S	S	*	*				-164.6	163.2	55.6	63.1	0	0	0	0	111.5	I1939 N1965 S1966	I1939-S1941 PolarHBondContact O-N 3.47Å; S1941-N1965 WeakPolarHBondContact O-CB 3.39Å; S1941-S1966 VanDerWaalsContact O-CB 3.32Å; S1941-S1966 WeakPolarHBondContact O-CB 3.47Å
1942	T	27.6	Very low	27.7	Very low	113 Å²	113	131 Å²	131	69%	0.693	71%	0.714	S	S	*	*				-126.5	149.6	61	39.3	0	0	0	0	113.4	V1737 V1738	V1737-T1942 HydrophobicContact CG2-CG2 4.26Å; V1738-T1942 HydrophobicContact CG2-CG2 4.03Å
1943	S	28.1	Very low	27.7	Very low	80.6 Å²	80.6	131.1 Å²	131.1	56%	0.564	71%	0.714	S	S	*	*				-98.7	135	114.7	77.8	0	0	0	0	114.9	V1738 S1945 C1967 E1968	V1738-S1943 WeakPolarHBondContact CG1-OG 3.4Å; V1738-S1943 WeakPolarHBondContact CG2-OG 3.29Å; S1943-S1945 PolarHBondContact O-N 2.97Å; S1943-C1967 CarbonylContact C-O 3.42Å; S1943-C1967 PolarHBondContact N-O 3.27Å; S1943-E1968 PolarHBondContact O-N 3.34Å
1944	L	27.1	Very low	27.6	Very low	153.2 Å²	153.2	129.2 Å²	129.2	80%	0.802	71%	0.709	S	S	*	*				25.7	138.3	97	-109.8	80	0	0	0	114.7	A1946	L1944-A1946 PolarHBondContact O-N 2.76Å
1945	S	27.7	Very low	27.6	Very low	102.6 Å²	102.6	130.4 Å²	130.4	72%	0.717	71%	0.711	S	S	*	*			cis	-145	156.8	23.9	-45.9	0	0	0	0	111	T1740 S1943	T1740-S1945 WeakPolarHBondContact CG2-OG 3.42Å; S1943-S1945 PolarHBondContact O-N 2.97Å
1946	A	27.8	Very low	27.8	Very low	83 Å²	83	129.8 Å²	129.8	69%	0.686	71%	0.708	S	S	*	*				180	148.4	124.7	0	0	0	0	0	114.1	L1944	L1944-A1946 PolarHBondContact O-N 2.76Å
1947	H	26.1	Very low	27.8	Very low	142 Å²	142	129.5 Å²	129.5	66%	0.657	70%	0.702	S	S	*	*				-132.4	148.1	119.5	-138.1	-95.7	0	0	0	112.8	R2184	H1947-R2184 VanDerWaalsContact NE2-CB 3.33Å; H1947-R2184 WeakPolarHBondContact NE2-CB 3.22Å; H1947-R2184 PolarHBondContact NE2-N 3.34Å
1948	W	25.2	Very low	28.2	Very low	201.8 Å²	201.8	129.2 Å²	129.2	76%	0.764	70%	0.698	S	S	*	*			trans	102.7	120.8	155.5	-87.1	57.8	0	0	0	111.2	R2183 R2184	W1948-R2183 VanDerWaalsContact CZ3-NH2 3.34Å; W1948-R2184 VanDerWaalsContact NE1-NH1 3.15Å
1949	I	28.5	Very low	28.2	Very low	136.6 Å²	136.6	129 Å²	129	70%	0.701	70%	0.697	S	S	*	*				155.5	126.4	121.7	-71.8	171.5	0	0	0	110
1950	N	28.7	Very low	28.4	Very low	129.8 Å²	129.8	128.9 Å²	128.9	69%	0.694	70%	0.696	S	S	*	*			cis	-170.2	154.5	38	-138.7	4.4	0	0	0	110.6
1951	H	30.2	Very low	28.5	Very low	134.8 Å²	134.8	127.9 Å²	127.9	62%	0.624	70%	0.698	S	S	*	*			trans	76.4	130.4	159.3	-76	-79.5	0	0	0	115.5	R1473	R1473-H1951 WeakPolarHBondContact CD-CE1 3.21Å; R1473-H1951 WeakPolarHBondContact CD-ND1 3.25Å; R1473-H1951 PolarHBondContact NH1-CD2 2.77Å; R1473-H1951 PolarHBondContact NH1-CE1 3.05Å; R1473-H1951 PolarHBondContact NH1-NE2 3.43Å
1952	H	29.8	Very low	28.6	Very low	149.8 Å²	149.8	130.6 Å²	130.6	69%	0.694	71%	0.705	S	S	*	*			cis	173	151.2	18.2	-89.3	-61.7	0	0	0	111.7	D1954	H1952-D1954 IonicContact CE1-OD1 3.6Å; H1952-D1954 IonicContact CE1-OD2 3.36Å; H1952-D1954 PolarHBondContact CE1-OD2 3.33Å; H1952-D1954 IonicContact CG-OD1 3.99Å; H1952-D1954 IonicContact ND1-OD1 2.85Å; H1952-D1954 PolarHBondContact ND1-OD1 3.45Å; H1952-D1954 IonicContact ND1-OD2 2.71Å; H1952-D1954 PolarHBondContact ND1-OD2 2.92Å; H1952-D1954 VanDerWaalsContact ND1-OD2 3.09Å
1953	C	28.5	Very low	28.9	Very low	104.6 Å²	104.6	130.2 Å²	130.2	71%	0.707	70%	0.704	S	S	*	*			trans	-131.1	176.5	132.8	-81.1	0	0	0	0	110.2
1954	D	27.5	Very low	28.9	Very low	134.4 Å²	134.4	131.2 Å²	131.2	72%	0.719	71%	0.711	S	S	*	*				120.4	157.8	85.1	-64.4	-35	0	0	0	113.3	H1952	H1952-D1954 IonicContact CE1-OD1 3.6Å; H1952-D1954 IonicContact CE1-OD2 3.36Å; H1952-D1954 PolarHBondContact CE1-OD2 3.33Å; H1952-D1954 IonicContact CG-OD1 3.99Å; H1952-D1954 IonicContact ND1-OD1 2.85Å; H1952-D1954 PolarHBondContact ND1-OD1 3.45Å; H1952-D1954 IonicContact ND1-OD2 2.71Å; H1952-D1954 PolarHBondContact ND1-OD2 2.92Å; H1952-D1954 VanDerWaalsContact ND1-OD2 3.09Å
1955	D	28.3	Very low	29.1	Very low	148.8 Å²	148.8	130.3 Å²	130.3	80%	0.796	71%	0.707	S	S	*	*				-172.9	148.8	108.6	-108.8	-20.1	0	0	0	115.1
1956	I	30.3	Very low	29.3	Very low	132.6 Å²	132.6	130 Å²	130	68%	0.68	71%	0.705	S	S	*	*			trans	-160.1	133	162.9	-72.7	177.8	0	0	0	112.7
1957	Q	26.3	Very low	29.3	Very low	150 Å²	150	131 Å²	131	70%	0.701	71%	0.706	S	S	*	*			trans	-132.2	175.7	172.6	-98.7	177.1	-1.8	0	0	112.8
1958	P	33.5	Very low	29.6	Very low	97.6 Å²	97.6	132.3 Å²	132.3	63%	0.634	71%	0.712	S	S	*	*				-114.5	-149.1	-91.9	36.8	-19.5	0	0	0	113.6
1959	P	31.9	Very low	30.1	Very low	96.6 Å²	96.6	128.2 Å²	128.2	63%	0.627	71%	0.71	S	S	*	*			cis	-131.4	179.4	-28.9	28.5	-9.9	0	0	0	116.9
1960	I	29.5	Very low	30.2	Very low	144.6 Å²	144.6	129.8 Å²	129.8	74%	0.742	71%	0.714	S	S	*	*			trans	116.6	126.5	130.3	-76.6	164.3	0	0	0	117.5	L1962	I1960-L1962 HydrophobicContact CB-CD2 4.4Å; I1960-L1962 HydrophobicContact CB-CG 4.46Å; I1960-L1962 HydrophobicContact CD1-CD2 3.94Å; I1960-L1962 HydrophobicContact CG2-CD2 4.23Å; I1960-L1962 HydrophobicContact CG2-CG 4.46Å; I1960-L1962 PolarHBondContact O-N 3.18Å
1961	L	29.9	Very low	30.2	Very low	159.6 Å²	159.6	128.7 Å²	128.7	84%	0.836	72%	0.716	S	S	*	*				178.8	133.9	128.7	-87.1	170.6	0	0	0	115.9	P1963	L1961-P1963 WeakPolarHBondContact O-CD 3.46Å
1962	L	28.2	Very low	30.2	Very low	147 Å²	147	126.6 Å²	126.6	77%	0.77	72%	0.716	S	S	*	*			trans	-75	158.1	177.9	-74.9	163.1	0	0	0	112.7	I1960 S1964	I1960-L1962 HydrophobicContact CB-CD2 4.4Å; I1960-L1962 HydrophobicContact CB-CG 4.46Å; I1960-L1962 HydrophobicContact CD1-CD2 3.94Å; I1960-L1962 HydrophobicContact CG2-CD2 4.23Å; I1960-L1962 HydrophobicContact CG2-CG 4.46Å; I1960-L1962 PolarHBondContact O-N 3.18Å; L1962-S1964 PolarHBondContact O-N 3.4Å
1963	P	34.1	Very low	30.3	Very low	104.4 Å²	104.4	125.9 Å²	125.9	68%	0.678	72%	0.716	S	S	*	*				-117.7	152.3	52.2	35	-20.9	0	0	0	112.9	L1961 N1965	L1961-P1963 WeakPolarHBondContact O-CD 3.46Å; P1963-N1965 PolarHBondContact O-N 3.04Å
1964	S	28.9	Very low	30.5	Very low	101.8 Å²	101.8	128.2 Å²	128.2	71%	0.712	72%	0.721	S	S	*	*			trans	-145.7	135.3	132.5	47.5	0	0	0	0	114.8	L1962	L1962-S1964 PolarHBondContact O-N 3.4Å
1965	N	31.3	Very low	30.7	Very low	133.6 Å²	133.6	125.4 Å²	125.4	71%	0.714	72%	0.717	S	S	*	*			trans	47.4	137.3	167	-54	-22.1	0	0	0	113	F1940 S1941 P1963	F1940-N1965 WeakPolarHBondContact CA-ND2 3.15Å; F1940-N1965 PolarHBondContact N-ND2 2.82Å; S1941-N1965 WeakPolarHBondContact O-CB 3.39Å; P1963-N1965 PolarHBondContact O-N 3.04Å
1966	S	30.1	Very low	30.8	Very low	97 Å²	97	123.7 Å²	123.7	68%	0.678	71%	0.712	S	S	*	*			cis	146.2	141.2	25.9	61	0	0	0	0	110.7	S1941	S1941-S1966 VanDerWaalsContact O-CB 3.32Å; S1941-S1966 WeakPolarHBondContact O-CB 3.47Å
1967	C	28.1	Very low	30.9	Very low	104.2 Å²	104.2	125.4 Å²	125.4	70%	0.704	72%	0.717	S	S	*	*				-152.8	159.1	97.7	-70.7	0	0	0	0	110.7	S1943	S1943-C1967 CarbonylContact C-O 3.42Å; S1943-C1967 PolarHBondContact N-O 3.27Å
1968	E	33	Very low	31	Very low	168.4 Å²	168.4	123.3 Å²	123.3	79%	0.787	71%	0.711	S	S	*	*				163.5	158.6	102.7	-86.5	157.4	-154.4	0	0	113.1	S1943	S1943-E1968 PolarHBondContact O-N 3.34Å
1969	T	35.6	Very low	31	Very low	116.2 Å²	116.2	125.9 Å²	125.9	71%	0.713	72%	0.719	S	S	*	*			cis	-151.4	148.4	21.7	40.9	0	0	0	0	111.8
1970	E	30	Very low	31	Very low	170.2 Å²	170.2	126 Å²	126	80%	0.795	72%	0.717	S	S	*	*				75.1	142.2	82.8	-75.6	-162	-179.7	0	0	114.8
1971	C	29.1	Very low	31	Very low	106 Å²	106	126.3 Å²	126.3	72%	0.716	72%	0.716	S	S	*	*				156.6	138.6	61.8	-101.4	0	0	0	0	115
1972	S	30.4	Very low	31.2	Very low	91 Å²	91	123.6 Å²	123.6	64%	0.636	71%	0.708	S	S	*	*				112.4	145.6	105.9	26.7	0	0	0	0	118.2	K2192	S1972-K2192 PolarHBondContact O-NZ 3.17Å
1973	I	33	Very low	31.5	Very low	136.2 Å²	136.2	121.2 Å²	121.2	70%	0.698	70%	0.7	S	S	*	*				74.1	117.3	128.9	-43.7	168.8	0	0	0	116	A1975	I1973-A1975 VanDerWaalsContact CG2-O 3.3Å; I1973-A1975 WeakPolarHBondContact CG2-O 3.22Å
1974	N	31	Very low	31.3	Very low	152 Å²	152	122.1 Å²	122.1	81%	0.813	70%	0.704	S	S	*	*				146.2	149.3	89.6	-102.7	-5.5	0	0	0	112.5
1975	A	31.9	Very low	31.4	Very low	75.4 Å²	75.4	122 Å²	122	62%	0.623	70%	0.703	S	S	*	*			trans	170.8	160.9	-144.3	0	0	0	0	0	110.5	I1973	I1973-A1975 VanDerWaalsContact CG2-O 3.3Å; I1973-A1975 WeakPolarHBondContact CG2-O 3.22Å
1976	T	31.8	Very low	31.5	Very low	112.8 Å²	112.8	120.5 Å²	120.5	69%	0.692	70%	0.7	S	S	*	*			cis	149.7	150.5	33.1	35.6	0	0	0	0	110.6	N1978 H1981	T1976-N1978 PolarHBondContact O-N 2.82Å; T1976-N1978 VanDerWaalsContact OG1-CB 3.32Å; T1976-N1978 WeakPolarHBondContact OG1-CB 3.48Å; T1976-H1981 CarbonylContact O-C 2.82Å
1977	E	31	Very low	31.5	Very low	168.2 Å²	168.2	126.1 Å²	126.1	79%	0.786	71%	0.708	S	S	*	*				81.8	123.7	125.2	-91	174.6	-170	0	0	112.8
1978	N	29.9	Very low	31.5	Very low	106.6 Å²	106.6	125.9 Å²	125.9	57%	0.57	71%	0.708	S	S	*	*				-149.2	143.3	69.1	-116.3	-17.5	0	0	0	114.2	T1976 T1980 H1981 Q2093	T1976-N1978 PolarHBondContact O-N 2.82Å; T1976-N1978 VanDerWaalsContact OG1-CB 3.32Å; T1976-N1978 WeakPolarHBondContact OG1-CB 3.48Å; N1978-T1980 VanDerWaalsContact C-CA 3.42Å; N1978-T1980 HydrophobicContact CB-CG2 4.37Å; N1978-T1980 PolarHBondContact ND2-N 3.4Å; N1978-T1980 PolarHBondContact ND2-O 3.45Å; N1978-T1980 CarbonylContact O-C 3.06Å; N1978-T1980 WeakPolarHBondContact O-CA 3.24Å; N1978-T1980 PolarHBondContact O-N 2.88Å; N1978-T1980 VanDerWaalsContact O-N 3.17Å; N1978-T1980 WeakPolarHBondContact OD1-CG2 3.43Å; N1978-T1980 PolarHBondContact OD1-N 3.07Å; N1978-H1981 PolarHBondContact O-N 3.41Å; N1978-Q2093 VanDerWaalsContact OD1-CG 3.31Å; N1978-Q2093 WeakPolarHBondContact OD1-CG 3.42Å; N1978-Q2093 PolarHBondContact OD1-NE2 3.07Å; N1978-Q2093 PolarHBondContact OD1-OE1 2.82Å
1979	L	33	Very low	31.4	Very low	152.4 Å²	152.4	122.8 Å²	122.8	80%	0.798	71%	0.705	S	S	*	*			trans	54.3	130.1	133.1	-68.9	149	0	0	0	115.6
1980	T	31.4	Very low	31	Very low	98.2 Å²	98.2	122 Å²	122	60%	0.602	70%	0.704	S	S	*	*			cis	162.1	138.4	49.4	40.8	0	0	0	0	117.8	N1978 S2091 E2092 Q2093	N1978-T1980 VanDerWaalsContact C-CA 3.42Å; N1978-T1980 HydrophobicContact CB-CG2 4.37Å; N1978-T1980 PolarHBondContact ND2-N 3.4Å; N1978-T1980 PolarHBondContact ND2-O 3.45Å; N1978-T1980 CarbonylContact O-C 3.06Å; N1978-T1980 WeakPolarHBondContact O-CA 3.24Å; N1978-T1980 PolarHBondContact O-N 2.88Å; N1978-T1980 VanDerWaalsContact O-N 3.17Å; N1978-T1980 WeakPolarHBondContact OD1-CG2 3.43Å; N1978-T1980 PolarHBondContact OD1-N 3.07Å; T1980-S2091 WeakPolarHBondContact CB-OG 3.32Å; T1980-S2091 VanDerWaalsContact CG2-O 3.23Å; T1980-S2091 WeakPolarHBondContact CG2-O 3.44Å; T1980-S2091 WeakPolarHBondContact OG1-CB 3.06Å; T1980-S2091 PolarHBondContact OG1-OG 2.99Å; T1980-E2092 HydrophobicContact CG2-CB 3.5Å; T1980-Q2093 HydrophobicContact CG2-CG 4.06Å
1981	H	28.7	Very low	31	Very low	152 Å²	152	119.2 Å²	119.2	70%	0.704	70%	0.699	S	S	*	*			trans	102.9	159.3	159.3	-69.9	-77.7	0	0	0	118.2	T1976 N1978 S2091 E2092	T1976-H1981 CarbonylContact O-C 2.82Å; N1978-H1981 PolarHBondContact O-N 3.41Å; H1981-S2091 WeakPolarHBondContact CD2-CA 3.11Å; H1981-S2091 VanDerWaalsContact CD2-CB 3.42Å; H1981-S2091 WeakPolarHBondContact CD2-CB 3.48Å; H1981-E2092 VanDerWaalsContact CA-OE1 3.32Å; H1981-E2092 WeakPolarHBondContact CA-OE1 3.47Å; H1981-E2092 VanDerWaalsContact CD2-CB 3.45Å; H1981-E2092 WeakPolarHBondContact CD2-CB 3.43Å; H1981-E2092 VanDerWaalsContact CD2-CG 3.43Å; H1981-E2092 WeakPolarHBondContact CD2-CG 3.45Å; H1981-E2092 PolarHBondContact CD2-N 3.44Å; H1981-E2092 IonicContact CG-OE1 3.64Å; H1981-E2092 PolarHBondContact N-OE1 2.92Å; H1981-E2092 PolarHBondContact N-OE2 3.34Å; H1981-E2092 PolarHBondContact NE2-N 2.8Å
1982	P	34.3	Very low	31	Very low	103 Å²	103	120.8 Å²	120.8	67%	0.669	70%	0.699	S	S	*	*			trans	-113.3	-163.5	-158.6	31.7	-14.3	0	0	0	113	I2389	P1982-I2389 VanDerWaalsContact O-CD1 3.3Å; P1982-I2389 WeakPolarHBondContact O-CD1 3.16Å
1983	P	34.4	Very low	30.9	Very low	95.4 Å²	95.4	121.1 Å²	121.1	62%	0.619	70%	0.701	S	S	*	*				-117	171.6	-53.3	37.3	-24.6	0	0	0	113.8	E2092 I2389	P1983-E2092 WeakPolarHBondContact CD-OE1 3.25Å; P1983-I2389 CarbonylContact O-C 3.12Å; P1983-I2389 WeakPolarHBondContact O-CB 3.5Å; P1983-I2389 WeakPolarHBondContact O-CG2 2.86Å; P1983-I2389 VanDerWaalsContact O-O 3.04Å
1984	V	30.3	Very low	30.7	Very low	124.4 Å²	124.4	118.8 Å²	118.8	75%	0.754	70%	0.697	S	S	*	*			trans	-163.8	123	138.4	169	0	0	0	0	111.7	S2390	V1984-S2390 VanDerWaalsContact C-OG 3.29Å; V1984-S2390 PolarHBondContact N-OG 3.24Å; V1984-S2390 VanDerWaalsContact N-OG 3.11Å; V1984-S2390 WeakPolarHBondContact O-CB 3.01Å; V1984-S2390 PolarHBondContact O-OG 2.75Å
1985	S	30.1	Very low	30.7	Very low	99.6 Å²	99.6	116.4 Å²	116.4	70%	0.697	69%	0.688	S	S	*	*			trans	-74.5	143.1	142.2	62.3	0	0	0	0	112.4
1986	P	34.9	Very low	30.6	Very low	100.8 Å²	100.8	120.1 Å²	120.1	66%	0.655	69%	0.692	S	S	*	*				-134.4	166.5	82.7	33	-14.7	0	0	0	115	S1988	P1986-S1988 PolarHBondContact O-N 3.16Å
1987	Y	29.5	Very low	30.5	Very low	215.4 Å²	215.4	121 Å²	121	85%	0.845	69%	0.691	S	S	*	*			trans	21.3	135	154.1	-65.8	-72.4	0	0	0	116.2
1988	S	29.1	Very low	30.4	Very low	100.6 Å²	100.6	118.5 Å²	118.5	70%	0.703	68%	0.683	S	S	*	*			cis	-160.5	148.1	11.2	15.6	0	0	0	0	112.3	P1986	P1986-S1988 PolarHBondContact O-N 3.16Å
1989	S	29	Very low	30.5	Very low	102.6 Å²	102.6	120 Å²	120	72%	0.717	69%	0.691	S	S	*	*				89.3	128.9	122.1	66.5	0	0	0	0	116.8	T1991	S1989-T1991 PolarHBondContact O-N 3.17Å
1990	S	29	Very low	30.4	Very low	99 Å²	99	116.4 Å²	116.4	69%	0.692	68%	0.678	S	S	*	*			trans	166.3	145.4	162.5	50.6	0	0	0	0	115.1	D1528	D1528-S1990 VanDerWaalsContact OD2-CB 3.24Å; D1528-S1990 WeakPolarHBondContact OD2-CB 3.27Å; D1528-S1990 PolarHBondContact OD2-OG 2.94Å
1991	T	28.7	Very low	30.5	Very low	111.8 Å²	111.8	117.4 Å²	117.4	69%	0.686	68%	0.68	S	S	*	*			trans	-166.5	160.9	143.3	28.8	0	0	0	0	114.1	S1989 N2024 N2025	S1989-T1991 PolarHBondContact O-N 3.17Å; T1991-N2024 PolarHBondContact O-ND2 2.75Å; T1991-N2024 PolarHBondContact O-OD1 3.25Å; T1991-N2025 WeakPolarHBondContact CA-ND2 3.41Å; T1991-N2025 WeakPolarHBondContact CB-ND2 3.46Å; T1991-N2025 HydrophobicContact CG2-CB 4.03Å; T1991-N2025 WeakPolarHBondContact CG2-ND2 3.05Å
1992	I	29.9	Very low	30.6	Very low	138.6 Å²	138.6	115.6 Å²	115.6	71%	0.711	68%	0.676	S	S	*	*			trans	125.7	124.1	131.3	-67.5	163.6	0	0	0	114.9	N2024 N2025	I1992-N2024 WeakPolarHBondContact CA-OD1 3.35Å; I1992-N2024 PolarHBondContact N-OD1 3.41Å; I1992-N2025 VanDerWaalsContact N-CB 3.29Å; I1992-N2025 VanDerWaalsContact N-CG 3.26Å; I1992-N2025 PolarHBondContact N-ND2 3.41Å; I1992-N2025 WeakPolarHBondContact O-CA 3.19Å; I1992-N2025 WeakPolarHBondContact O-CB 3.4Å; I1992-N2025 PolarHBondContact O-N 3.38Å; I1992-N2025 PolarHBondContact O-OD1 2.86Å
1993	S	28.3	Very low	30.6	Very low	98.8 Å²	98.8	119.1 Å²	119.1	69%	0.691	68%	0.677	S	S	*	*			trans	-175.8	135	136.6	-171.3	0	0	0	0	116.1	N2023 N2024 N2025	S1993-N2023 WeakPolarHBondContact CA-OD1 3.47Å; S1993-N2023 PolarHBondContact N-OD1 2.71Å; S1993-N2024 PolarHBondContact N-OD1 3.32Å; S1993-N2024 CarbonylContact O-C 2.85Å; S1993-N2024 VanDerWaalsContact O-CA 3.29Å; S1993-N2024 WeakPolarHBondContact O-CA 3.37Å; S1993-N2025 PolarHBondContact O-N 2.89Å; S1993-N2025 VanDerWaalsContact O-N 3.16Å
1994	S	29.2	Very low	30.5	Very low	86.8 Å²	86.8	118.2 Å²	118.2	61%	0.607	68%	0.677	S	S	*	*				172.6	148.5	127.1	57	0	0	0	0	116.7	L2021 H2022 N2023	S1994-L2021 WeakPolarHBondContact O-CD2 3.41Å; S1994-H2022 CarbonylContact O-C 3.42Å; S1994-N2023 PolarHBondContact N-OD1 3.21Å; S1994-N2023 PolarHBondContact O-N 2.66Å; S1994-N2023 VanDerWaalsContact O-N 3.09Å
1995	T	30.2	Very low	30.6	Very low	102.6 Å²	102.6	116.9 Å²	116.9	63%	0.629	67%	0.673	S	S	*	*			trans	151	137.1	142.7	50	0	0	0	0	115.2	Q2020 L2021	T1995-Q2020 CarbonylContact O-C 3.32Å; T1995-Q2020 WeakPolarHBondContact O-CA 3.33Å; T1995-Q2020 WeakPolarHBondContact O-CB 2.96Å; T1995-Q2020 VanDerWaalsContact O-O 3.07Å; T1995-Q2020 PolarHBondContact OG1-O 3.02Å; T1995-L2021 WeakPolarHBondContact O-CA 3.17Å; T1995-L2021 PolarHBondContact O-N 3.21Å
1996	H	28.8	Very low	30.7	Very low	151.6 Å²	151.6	117.8 Å²	117.8	70%	0.702	67%	0.67	S	S	*	*			cis	153.8	172.4	21.5	-143.7	-102.9	0	0	0	114.1	Q2020 L2021	H1996-Q2020 HydrophobicContact CB-CB 3.68Å; H1996-Q2020 VanDerWaalsContact CB-CD 3.45Å; H1996-Q2020 HydrophobicContact CB-CG 3.79Å; H1996-Q2020 PolarHBondContact ND1-OE1 3.02Å; H1996-L2021 VanDerWaalsContact CA-CG 3.44Å; H1996-L2021 VanDerWaalsContact O-CB 3.3Å; H1996-L2021 WeakPolarHBondContact O-CB 3.26Å; H1996-L2021 VanDerWaalsContact O-CD1 3.28Å; H1996-L2021 WeakPolarHBondContact O-CD1 3.49Å; H1996-L2021 WeakPolarHBondContact O-CG 3.43Å
1997	I	30.7	Very low	30.7	Very low	133.2 Å²	133.2	120.7 Å²	120.7	68%	0.683	68%	0.675	S	S	*	*			trans	124	114.4	153.3	-64	175.4	0	0	0	111.5	Q2019 Q2020 L2021	I1997-Q2019 VanDerWaalsContact O-CB 3.23Å; I1997-Q2019 WeakPolarHBondContact O-CB 3.43Å; I1997-Q2019 PolarHBondContact O-OE1 2.89Å; I1997-Q2020 WeakPolarHBondContact O-CB 3.38Å; I1997-Q2020 PolarHBondContact O-NE2 3.09Å; I1997-Q2020 VanDerWaalsContact O-NE2 3.09Å; I1997-L2021 VanDerWaalsContact CA-N 3.26Å; I1997-L2021 HydrophobicContact CB-CB 4.44Å; I1997-L2021 HydrophobicContact CG1-CB 3.91Å; I1997-L2021 HydrophobicContact CG1-CD1 4.26Å
1998	D	28.8	Very low	30.7	Very low	114.2 Å²	114.2	114.3 Å²	114.3	61%	0.611	66%	0.662	S	S	*	*				113.7	145	68.5	-127.2	1	0	0	0	114.3	Q2019 Q2020	D1998-Q2019 HydrophobicContact CB-CB 4.1Å; D1998-Q2019 WeakPolarHBondContact OD1-CB 3.29Å; D1998-Q2019 PolarHBondContact OD1-N 3.15Å; D1998-Q2019 VanDerWaalsContact OD2-CA 3.23Å; D1998-Q2019 WeakPolarHBondContact OD2-CA 3.47Å; D1998-Q2019 PolarHBondContact OD2-N 3.21Å; D1998-Q2020 PolarHBondContact OD2-N 2.75Å
1999	L	31.4	Very low	30.7	Very low	139.2 Å²	139.2	115.2 Å²	115.2	73%	0.729	66%	0.663	S	S	*	*			trans	-157.3	149.9	161.9	-88	168.1	0	0	0	114.6	Y1430	Y1430-L1999 CarbonylContact C-O 3.51Å
2000	S	32	Very low	30.7	Very low	76.8 Å²	76.8	116 Å²	116	54%	0.537	66%	0.664	S	S	.	*				-138.6	153	122.3	50.4	0	0	0	0	114.1	S1429 Y1430	S1429-S2000 CarbonylContact C-O 3.46Å; S1429-S2000 WeakPolarHBondContact CA-O 2.84Å; S1429-S2000 PolarHBondContact O-OG 3.06Å; S1429-S2000 VanDerWaalsContact O-OG 3.14Å; Y1430-S2000 WeakPolarHBondContact CA-O 3.29Å; Y1430-S2000 PolarHBondContact N-O 3.15Å
2001	D	33.2	Very low	30.6	Very low	119.4 Å²	119.4	118.5 Å²	118.5	64%	0.639	67%	0.669	S	S	*	*			cis	157.7	137.7	43.6	-100.6	-16.5	0	0	0	111.6	S1427 E1428 S1429	S1427-D2001 WeakPolarHBondContact CA-OD1 3.28Å; S1427-D2001 VanDerWaalsContact CB-OD1 3.28Å; S1427-D2001 WeakPolarHBondContact CB-OD1 3.15Å; E1428-D2001 VanDerWaalsContact C-CA 3.46Å; E1428-D2001 WeakPolarHBondContact CA-OD2 3.5Å; E1428-D2001 PolarHBondContact N-OD1 3.41Å; E1428-D2001 PolarHBondContact N-OD2 3.38Å; E1428-D2001 CarbonylContact O-C 3.48Å; E1428-D2001 WeakPolarHBondContact O-CA 3.07Å; S1429-D2001 VanDerWaalsContact CA-OD2 3.31Å; S1429-D2001 WeakPolarHBondContact CA-OD2 3.1Å
2002	N	31.8	Very low	30.7	Very low	114.2 Å²	114.2	118.7 Å²	118.7	61%	0.611	67%	0.669	S	S	*	*				-163	-177.2	65	-99.1	-75.7	0	0	0	111.9	T1426 S1427 E1428	T1426-N2002 CarbonylContact C-O 3.48Å; T1426-N2002 VanDerWaalsContact C-O 3.32Å; T1426-N2002 CarbonylContact O-C 3.51Å; T1426-N2002 VanDerWaalsContact O-C 3.26Å; S1427-N2002 VanDerWaalsContact N-C 3.27Å; S1427-N2002 PolarHBondContact N-O 3.16Å; S1427-N2002 CarbonylContact O-C 3.52Å; S1427-N2002 WeakPolarHBondContact O-CA 3.39Å; S1427-N2002 PolarHBondContact O-N 2.69Å; E1428-N2002 PolarHBondContact O-N 3.23Å; E1428-N2002 PolarHBondContact O-ND2 2.74Å
2003	Y	33.6	Very low	30.5	Very low	176.8 Å²	176.8	119.2 Å²	119.2	69%	0.693	67%	0.673	S	S	*	*			trans	86.2	142	145.1	-78.1	-92.5	0	0	0	115.9	T1426 S1427 E1428	T1426-Y2003 VanDerWaalsContact CB-CE2 3.47Å; T1426-Y2003 PolarHBondContact O-N 3.06Å; T1426-Y2003 WeakPolarHBondContact OG1-CD1 3.17Å; T1426-Y2003 WeakPolarHBondContact OG1-CD2 3.35Å; T1426-Y2003 WeakPolarHBondContact OG1-CE1 3.41Å; T1426-Y2003 WeakPolarHBondContact OG1-CE2 3.25Å; T1426-Y2003 VanDerWaalsContact OG1-CG 3.24Å; S1427-Y2003 WeakPolarHBondContact O-CD2 3.16Å; S1427-Y2003 VanDerWaalsContact O-CE2 3.22Å; S1427-Y2003 WeakPolarHBondContact O-CE2 3.41Å; E1428-Y2003 HydrophobicContact CG-CE2 4.48Å; E1428-Y2003 VanDerWaalsContact OE1-CE2 3.3Å; E1428-Y2003 WeakPolarHBondContact OE1-CE2 3.36Å; E1428-Y2003 PolarHBondContact OE1-OH 2.57Å
2004	A	32.8	Very low	30.7	Very low	76.6 Å²	76.6	119.9 Å²	119.9	63%	0.633	68%	0.675	S	S	*	*				-150.5	164.3	118.2	0	0	0	0	0	109.7
2005	S	32.3	Very low	30.6	Very low	96 Å²	96	123.7 Å²	123.7	67%	0.671	69%	0.685	S	S	*	*				121.3	140.9	101.7	-152.7	0	0	0	0	112.9
2006	D	32.2	Very low	30.7	Very low	118.4 Å²	118.4	125 Å²	125	63%	0.633	69%	0.693	S	S	*	*			trans	-178.1	147.4	134.5	-76.5	-51.7	0	0	0	117.4	S2437 T2438	D2006-S2437 WeakPolarHBondContact O-CB 3.28Å; D2006-T2438 WeakPolarHBondContact O-CA 3.11Å; D2006-T2438 WeakPolarHBondContact O-CG2 3.36Å; D2006-T2438 PolarHBondContact O-OG1 3.31Å
2007	H	33.3	Very low	30.8	Very low	161.2 Å²	161.2	121.2 Å²	121.2	75%	0.746	70%	0.695	S	S	*	*				109.4	127.5	125.7	-67.7	-35.9	0	0	0	116.3	T2438 V2439	H2007-T2438 CarbonylContact O-C 2.97Å; H2007-T2438 VanDerWaalsContact O-C 3.23Å; H2007-T2438 WeakPolarHBondContact O-CA 3.45Å; H2007-V2439 PolarHBondContact O-N 3.36Å
2008	S	29.9	Very low	30.7	Very low	81.6 Å²	81.6	122.6 Å²	122.6	57%	0.571	70%	0.698	S	S	*	*				-141.9	136.8	121.6	57.1	0	0	0	0	113.5	V2010 L2436 S2437 V2439	S2008-V2010 PolarHBondContact O-N 3.21Å; S2008-L2436 WeakPolarHBondContact O-CD1 3.17Å; S2008-S2437 VanDerWaalsContact N-CA 3.32Å; S2008-S2437 WeakPolarHBondContact OG-CA 3.35Å; S2008-S2437 PolarHBondContact OG-N 3.27Å; S2008-V2439 VanDerWaalsContact CA-CG2 3.5Å
2009	T	30	Very low	30.8	Very low	120 Å²	120	123.1 Å²	123.1	74%	0.736	70%	0.697	S	S	*	*				62.4	134.7	127.6	52.1	0	0	0	0	115.7	V2439	T2009-V2439 HydrophobicContact CG2-CG2 3.78Å; T2009-V2439 WeakPolarHBondContact OG1-CG2 3.26Å
2010	V	27.8	Very low	30.7	Very low	120 Å²	120	122.9 Å²	122.9	73%	0.727	69%	0.692	S	S	*	*			cis	156.6	140.2	32.3	142.7	0	0	0	0	112.4	S2008	S2008-V2010 PolarHBondContact O-N 3.21Å
2011	L	28.4	Very low	30.6	Very low	151.6 Å²	151.6	123.7 Å²	123.7	79%	0.794	69%	0.69	S	S	*	*			trans	43.2	143.7	169.8	-94.1	87	0	0	0	116.4
2012	T	29.7	Very low	30.5	Very low	114.6 Å²	114.6	124.2 Å²	124.2	70%	0.703	69%	0.688	S	S	*	*			cis	-122.7	135.1	16.1	6.9	0	0	0	0	112.6
2013	L	27	Very low	30.4	Very low	149.6 Å²	149.6	123.5 Å²	123.5	78%	0.783	69%	0.685	S	S	*	*				-42.6	143	116.6	-82.9	168.5	0	0	0	112.8	M2015 T2016	L2013-M2015 HydrophobicContact CD2-CG 4.42Å; L2013-T2016 HydrophobicContact CD1-CG2 4.21Å
2014	P	31.6	Very low	30.2	Very low	114.4 Å²	114.4	119.7 Å²	119.7	74%	0.743	68%	0.677	S	S	*	*			trans	-116.6	164.2	169	28	-15.9	0	0	0	113.9
2015	M	27.8	Very low	30	Very low	166.2 Å²	166.2	121 Å²	121	82%	0.819	67%	0.673	S	S	*	*				-153.4	127.1	122.3	-90.9	173	62.6	0	0	110.5	L2013	L2013-M2015 HydrophobicContact CD2-CG 4.42Å
2016	T	31.4	Very low	29.8	Very low	129.2 Å²	129.2	121.6 Å²	121.6	79%	0.793	67%	0.668	S	S	*	*				60	137.4	124.4	50.3	0	0	0	0	113.2	L2013	L2013-T2016 HydrophobicContact CD1-CG2 4.21Å
2017	G	30.5	Very low	29.7	Very low	71.4 Å²	71.4	121.6 Å²	121.6	74%	0.736	67%	0.668	S	S	*	*			cis	168.9	134.5	6.5	0	0	0	0	0	112
2018	E	29.1	Very low	29.5	Very low	162.4 Å²	162.4	119.9 Å²	119.9	76%	0.759	66%	0.664	S	S	*	*				47.6	143.6	109.9	-79.7	-166	150.4	0	0	118.3
2019	Q	31.3	Very low	29.3	Very low	126.2 Å²	126.2	123 Å²	123	59%	0.59	67%	0.671	S	S	*	*				115.2	137.6	84.4	-77.2	174.3	32.6	0	0	116	I1997 D1998	I1997-Q2019 VanDerWaalsContact O-CB 3.23Å; I1997-Q2019 WeakPolarHBondContact O-CB 3.43Å; I1997-Q2019 PolarHBondContact O-OE1 2.89Å; D1998-Q2019 HydrophobicContact CB-CB 4.1Å; D1998-Q2019 WeakPolarHBondContact OD1-CB 3.29Å; D1998-Q2019 PolarHBondContact OD1-N 3.15Å; D1998-Q2019 VanDerWaalsContact OD2-CA 3.23Å; D1998-Q2019 WeakPolarHBondContact OD2-CA 3.47Å; D1998-Q2019 PolarHBondContact OD2-N 3.21Å
2020	Q	29.6	Very low	29.2	Very low	133.8 Å²	133.8	125.3 Å²	125.3	63%	0.625	67%	0.671	S	S	*	*				121	159.4	81.4	-81.6	178.9	39.7	0	0	117.8	T1995 H1996 I1997 D1998	T1995-Q2020 CarbonylContact O-C 3.32Å; T1995-Q2020 WeakPolarHBondContact O-CA 3.33Å; T1995-Q2020 WeakPolarHBondContact O-CB 2.96Å; T1995-Q2020 VanDerWaalsContact O-O 3.07Å; T1995-Q2020 PolarHBondContact OG1-O 3.02Å; H1996-Q2020 HydrophobicContact CB-CB 3.68Å; H1996-Q2020 VanDerWaalsContact CB-CD 3.45Å; H1996-Q2020 HydrophobicContact CB-CG 3.79Å; H1996-Q2020 PolarHBondContact ND1-OE1 3.02Å; I1997-Q2020 WeakPolarHBondContact O-CB 3.38Å; I1997-Q2020 PolarHBondContact O-NE2 3.09Å; I1997-Q2020 VanDerWaalsContact O-NE2 3.09Å; D1998-Q2020 PolarHBondContact OD2-N 2.75Å
2021	L	28.8	Very low	29.1	Very low	93.2 Å²	93.2	123.1 Å²	123.1	49%	0.488	66%	0.66	S	S	.	*				-87	151	98	-95.4	164.7	0	0	0	116.2	S1433 S1994 T1995 H1996 I1997	S1433-L2021 PolarHBondContact OG-O 2.95Å; S1994-L2021 WeakPolarHBondContact O-CD2 3.41Å; T1995-L2021 WeakPolarHBondContact O-CA 3.17Å; T1995-L2021 PolarHBondContact O-N 3.21Å; H1996-L2021 VanDerWaalsContact CA-CG 3.44Å; H1996-L2021 VanDerWaalsContact O-CB 3.3Å; H1996-L2021 WeakPolarHBondContact O-CB 3.26Å; H1996-L2021 VanDerWaalsContact O-CD1 3.28Å; H1996-L2021 WeakPolarHBondContact O-CD1 3.49Å; H1996-L2021 WeakPolarHBondContact O-CG 3.43Å; I1997-L2021 VanDerWaalsContact CA-N 3.26Å; I1997-L2021 HydrophobicContact CB-CB 4.44Å; I1997-L2021 HydrophobicContact CG1-CB 3.91Å; I1997-L2021 HydrophobicContact CG1-CD1 4.26Å
2022	H	31.9	Very low	29	Very low	130 Å²	130	122 Å²	122	60%	0.602	65%	0.654	S	S	*	*				150.7	153.7	96.2	-102	51.9	0	0	0	116.9	I1434 S1994 N2024	I1434-H2022 WeakPolarHBondContact CD1-O 3.22Å; S1994-H2022 CarbonylContact O-C 3.42Å; H2022-N2024 PolarHBondContact O-N 3.41Å
2023	N	29.8	Very low	28.9	Very low	99.4 Å²	99.4	122.3 Å²	122.3	53%	0.532	65%	0.651	S	S	.	*			trans	95.6	143.4	164.3	-97.7	8.3	0	0	0	114.1	S1993 S1994 D2563	S1993-N2023 WeakPolarHBondContact CA-OD1 3.47Å; S1993-N2023 PolarHBondContact N-OD1 2.71Å; S1994-N2023 PolarHBondContact N-OD1 3.21Å; S1994-N2023 PolarHBondContact O-N 2.66Å; S1994-N2023 VanDerWaalsContact O-N 3.09Å; N2023-D2563 VanDerWaalsContact CA-OD2 3.32Å; N2023-D2563 WeakPolarHBondContact CA-OD2 3.43Å
2024	N	29.5	Very low	28.9	Very low	98.6 Å²	98.6	119.4 Å²	119.4	53%	0.527	64%	0.643	S	S	.	*			cis	-156	151.7	33.1	-111.1	-3.6	0	0	0	114.7	T1991 I1992 S1993 H2022 D2563 I2564 L2565	T1991-N2024 PolarHBondContact O-ND2 2.75Å; T1991-N2024 PolarHBondContact O-OD1 3.25Å; I1992-N2024 WeakPolarHBondContact CA-OD1 3.35Å; I1992-N2024 PolarHBondContact N-OD1 3.41Å; S1993-N2024 PolarHBondContact N-OD1 3.32Å; S1993-N2024 CarbonylContact O-C 2.85Å; S1993-N2024 VanDerWaalsContact O-CA 3.29Å; S1993-N2024 WeakPolarHBondContact O-CA 3.37Å; H2022-N2024 PolarHBondContact O-N 3.41Å; N2024-D2563 VanDerWaalsContact C-OD1 3.24Å; N2024-D2563 WeakPolarHBondContact CA-OD1 3.39Å; N2024-D2563 PolarHBondContact N-OD1 3.08Å; N2024-D2563 PolarHBondContact N-OD2 2.74Å; N2024-D2563 CarbonylContact O-C 3.55Å; N2024-I2564 CarbonylContact O-C 3.54Å; N2024-I2564 WeakPolarHBondContact O-CA 3.23Å; N2024-I2564 PolarHBondContact O-N 3.43Å; N2024-L2565 HydrophobicContact CB-CD2 4.28Å; N2024-L2565 HydrophobicContact CB-CG 4.22Å; N2024-L2565 PolarHBondContact O-N 2.83Å
2025	N	28.8	Very low	28.7	Very low	102.2 Å²	102.2	120.2 Å²	120.2	55%	0.547	64%	0.64	S	S	.	*				145.4	131.2	102.8	-112.8	2.1	0	0	0	115.6	T1991 I1992 S1993 T2561 D2562 D2563 I2564 L2565 S2566	T1991-N2025 WeakPolarHBondContact CA-ND2 3.41Å; T1991-N2025 WeakPolarHBondContact CB-ND2 3.46Å; T1991-N2025 HydrophobicContact CG2-CB 4.03Å; T1991-N2025 WeakPolarHBondContact CG2-ND2 3.05Å; I1992-N2025 VanDerWaalsContact N-CB 3.29Å; I1992-N2025 VanDerWaalsContact N-CG 3.26Å; I1992-N2025 PolarHBondContact N-ND2 3.41Å; I1992-N2025 WeakPolarHBondContact O-CA 3.19Å; I1992-N2025 WeakPolarHBondContact O-CB 3.4Å; I1992-N2025 PolarHBondContact O-N 3.38Å; I1992-N2025 PolarHBondContact O-OD1 2.86Å; S1993-N2025 PolarHBondContact O-N 2.89Å; S1993-N2025 VanDerWaalsContact O-N 3.16Å; N2025-T2561 VanDerWaalsContact O-O 3.04Å; N2025-D2562 CarbonylContact O-C 3.52Å; N2025-D2563 VanDerWaalsContact C-N 3.3Å; N2025-D2563 VanDerWaalsContact N-N 3.13Å; N2025-D2563 PolarHBondContact N-OD1 3.07Å; N2025-D2563 PolarHBondContact O-N 3.06Å; N2025-I2564 VanDerWaalsContact CB-O 3.3Å; N2025-I2564 WeakPolarHBondContact CB-O 3.38Å; N2025-I2564 PolarHBondContact ND2-O 2.82Å; N2025-L2565 WeakPolarHBondContact ND2-CA 3.15Å; N2025-S2566 PolarHBondContact ND2-N 3.03Å
2026	N	26.5	Very low	28.7	Very low	109.2 Å²	109.2	119.2 Å²	119.2	58%	0.584	63%	0.633	S	S	*	*			trans	-155.9	158	145.9	-74.8	-38.1	0	0	0	114.2	N2419 N2420 N2421 L2422 T2561 D2562	N2026-N2419 PolarHBondContact ND2-O 3.33Å; N2026-N2419 PolarHBondContact OD1-O 3.38Å; N2026-N2420 WeakPolarHBondContact CB-O 3.46Å; N2026-N2420 PolarHBondContact ND2-O 2.79Å; N2026-N2421 VanDerWaalsContact CB-C 3.4Å; N2026-L2422 WeakPolarHBondContact CA-O 3.35Å; N2026-T2561 WeakPolarHBondContact CB-O 3.24Å; N2026-T2561 CarbonylContact O-C 3.31Å; N2026-D2562 PolarHBondContact O-N 3.25Å
2027	I	31.4	Very low	28.5	Very low	119.8 Å²	119.8	119.3 Å²	119.3	61%	0.614	63%	0.628	S	S	*	*			trans	-170.7	135.4	144.5	-97.9	141.4	0	0	0	110.8	N2421 L2422 S2423 T2556	I2027-N2421 VanDerWaalsContact CG2-OD1 3.24Å; I2027-N2421 WeakPolarHBondContact CG2-OD1 3.12Å; I2027-L2422 HydrophobicContact CG2-CD1 4.04Å; I2027-S2423 CarbonylContact O-C 3.58Å; I2027-S2423 VanDerWaalsContact O-C 3.26Å; I2027-S2423 WeakPolarHBondContact O-CA 3.13Å; I2027-S2423 PolarHBondContact O-N 3.13Å; I2027-S2423 VanDerWaalsContact O-O 3.12Å; I2027-T2556 WeakPolarHBondContact O-CG2 3.46Å
2028	N	29.1	Very low	28.5	Very low	123.8 Å²	123.8	119.5 Å²	119.5	66%	0.662	62%	0.618	S	S	*	*				58.4	131.8	127.8	-79.5	-17.9	0	0	0	115.4	A2424 T2556	N2028-A2424 WeakPolarHBondContact O-CA 3.13Å; N2028-T2556 WeakPolarHBondContact O-CG2 3.21Å
2029	M	26.3	Very low	28.3	Very low	148 Å²	148	120 Å²	120	73%	0.729	62%	0.615	S	S	*	*				67.1	120.9	89.5	-77.7	-105.2	-108.8	0	0	113.6	M2173	M2029-M2173 HydrophobicContact CE-CE 4.4Å; M2029-M2173 HydrophobicContact CE-SD 3.61Å
2030	K	26.9	Very low	28.2	Very low	167.6 Å²	167.6	119.8 Å²	119.8	73%	0.729	62%	0.622	S	S	*	*				141.8	139.6	97.1	-85.4	-179.9	177.4	175.7	0	112.5	D2052	K2030-D2052 WeakPolarHBondContact CE-OD2 3.38Å; K2030-D2052 IonicContact NZ-OD1 3.07Å; K2030-D2052 PolarHBondContact NZ-OD1 3.23Å; K2030-D2052 IonicContact NZ-OD2 2.91Å; K2030-D2052 PolarHBondContact NZ-OD2 3.38Å
2031	S	26.4	Very low	28.2	Very low	73.2 Å²	73.2	120.6 Å²	120.6	51%	0.512	63%	0.63	S	S	.	*			trans	114.3	130.5	139	74.3	0	0	0	0	116.7	D2033 N2426 T2636 N2637	S2031-D2033 WeakPolarHBondContact CB-OD2 3.34Å; S2031-D2033 PolarHBondContact OG-OD2 3.35Å; S2031-N2426 VanDerWaalsContact CA-OD1 3.24Å; S2031-N2426 WeakPolarHBondContact CA-OD1 2.72Å; S2031-N2426 WeakPolarHBondContact CB-OD1 3.25Å; S2031-T2636 CarbonylContact O-C 3.38Å; S2031-T2636 WeakPolarHBondContact O-CA 2.94Å; S2031-N2637 PolarHBondContact O-N 3.36Å
2032	I	26	Very low	28.2	Very low	129.2 Å²	129.2	119.1 Å²	119.1	66%	0.663	64%	0.637	S	S	*	*				70.8	103.3	129.6	-54.4	170.4	0	0	0	113.6	V2425 N2426 N2637	I2032-V2425 VanDerWaalsContact C-CG2 3.42Å; I2032-N2426 VanDerWaalsContact N-CG 3.31Å; I2032-N2426 PolarHBondContact N-ND2 2.82Å; I2032-N2426 VanDerWaalsContact N-ND2 3.18Å; I2032-N2637 VanDerWaalsContact CD1-OD1 3.28Å; I2032-N2637 WeakPolarHBondContact CD1-OD1 3.31Å
2033	D	27	Very low	28	Very low	120.2 Å²	120.2	121.7 Å²	121.7	64%	0.643	65%	0.65	S	S	*	*				96.5	135.4	119.9	-71.9	-40.1	0	0	0	114.9	S2031 V2425 S2635 T2636	S2031-D2033 WeakPolarHBondContact CB-OD2 3.34Å; S2031-D2033 PolarHBondContact OG-OD2 3.35Å; D2033-V2425 HydrophobicContact CB-CB 4.14Å; D2033-V2425 HydrophobicContact CB-CG1 3.93Å; D2033-V2425 HydrophobicContact CB-CG2 3.55Å; D2033-V2425 VanDerWaalsContact OD2-CG2 3.25Å; D2033-V2425 WeakPolarHBondContact OD2-CG2 3.15Å; D2033-S2635 VanDerWaalsContact CB-N 3.34Å; D2033-S2635 VanDerWaalsContact OD2-O 3.1Å; D2033-T2636 PolarHBondContact OD2-N 3.15Å
2034	C	26.7	Very low	28.1	Very low	90 Å²	90	124.2 Å²	124.2	61%	0.608	66%	0.662	S	S	*	*				169.4	149.2	107.1	-68.9	0	0	0	0	113.4	L2054 T2055	C2034-L2054 PolarHBondContact SG-O 3.43Å; C2034-T2055 CarbonylContact C-O 3.54Å; C2034-T2055 VanDerWaalsContact CA-O 3.31Å; C2034-T2055 WeakPolarHBondContact CA-O 3.42Å
2035	I	28.9	Very low	28	Very low	131 Å²	131	126.9 Å²	126.9	67%	0.672	67%	0.674	S	S	*	*				128.4	139.4	103.2	-60.1	165.4	0	0	0	115.3	T2055 N2632 L2633	I2035-T2055 PolarHBondContact N-O 3Å; I2035-N2632 VanDerWaalsContact CG1-O 3.31Å; I2035-N2632 WeakPolarHBondContact CG1-O 3.2Å; I2035-N2632 WeakPolarHBondContact CG2-O 3.27Å; I2035-L2633 CarbonylContact C-O 3.36Å; I2035-L2633 WeakPolarHBondContact CA-O 3.47Å; I2035-L2633 WeakPolarHBondContact CG1-O 3.13Å
2036	E	27.9	Very low	27.8	Very low	145.6 Å²	145.6	127.9 Å²	127.9	68%	0.68	68%	0.679	S	S	*	*			trans	29	128.3	153.2	-88.5	175.9	168.7	0	0	120.2	N2632 L2633	E2036-N2632 VanDerWaalsContact CB-O 3.23Å; E2036-N2632 WeakPolarHBondContact CB-O 2.99Å; E2036-N2632 PolarHBondContact N-O 3.38Å; E2036-N2632 WeakPolarHBondContact OE2-CB 3.25Å; E2036-N2632 PolarHBondContact OE2-ND2 3Å; E2036-L2633 HydrophobicContact CG-CB 3.55Å; E2036-L2633 PolarHBondContact N-O 3.32Å; E2036-L2633 WeakPolarHBondContact OE1-CB 3.23Å; E2036-L2633 WeakPolarHBondContact OE1-CD2 3.34Å
2037	D	26.7	Very low	27.7	Very low	130.2 Å²	130.2	130.7 Å²	130.7	70%	0.696	68%	0.683	S	S	*	*			trans	56.8	112.9	140.1	-92.2	-8.7	0	0	0	120.3
2038	S	29.9	Very low	27.5	Very low	75.4 Å²	75.4	129.9 Å²	129.9	53%	0.527	68%	0.684	S	S	.	*			trans	104.6	120.1	135.8	-67.9	0	0	0	0	116.8	S1458 S1459 V2040 N2537	S1458-S2038 WeakPolarHBondContact O-CB 3.39Å; S1459-S2038 CarbonylContact O-C 3.59Å; S1459-S2038 WeakPolarHBondContact O-CA 3.39Å; S1459-S2038 WeakPolarHBondContact O-CB 2.96Å; S1459-S2038 PolarHBondContact O-OG 2.88Å; S2038-V2040 PolarHBondContact O-N 3.23Å; S2038-N2537 PolarHBondContact O-N 3.42Å; S2038-N2537 PolarHBondContact O-OD1 2.84Å; S2038-N2537 VanDerWaalsContact O-OD1 3.07Å
2039	Y	25.7	Very low	27.4	Very low	173.4 Å²	173.4	129.5 Å²	129.5	68%	0.68	69%	0.686	S	S	*	*			trans	-18	116.1	145.5	-89	-108	0	0	0	116.6	S1458 S1459 N2041	S1458-Y2039 WeakPolarHBondContact O-CB 3.22Å; S1458-Y2039 PolarHBondContact O-N 2.99Å; S1459-Y2039 VanDerWaalsContact C-CD2 3.5Å; S1459-Y2039 WeakPolarHBondContact O-CD2 3.39Å; S1459-Y2039 PolarHBondContact O-N 2.97Å; S1459-Y2039 WeakPolarHBondContact OG-CD1 3.21Å; S1459-Y2039 WeakPolarHBondContact OG-CE1 3.41Å; S1459-Y2039 VanDerWaalsContact OG-CG 3.24Å; Y2039-N2041 WeakPolarHBondContact CD1-O 3.35Å
2040	V	28.2	Very low	27.5	Very low	122.4 Å²	122.4	129.2 Å²	129.2	74%	0.742	69%	0.687	S	S	*	*			trans	-134.6	129	140.2	175	0	0	0	0	110.9	S2038 Q2043 N2537	S2038-V2040 PolarHBondContact O-N 3.23Å; V2040-Q2043 HydrophobicContact CG1-CG 4.35Å; V2040-N2537 VanDerWaalsContact CG2-OD1 3.27Å; V2040-N2537 WeakPolarHBondContact CG2-OD1 3.4Å
2041	N	29	Very low	27.7	Very low	150.4 Å²	150.4	126.7 Å²	126.7	80%	0.804	69%	0.686	S	S	*	*			trans	-51.5	136.6	173.8	-109	-17.9	0	0	0	113.7	Y2039	Y2039-N2041 WeakPolarHBondContact CD1-O 3.35Å
2042	G	29.5	Very low	28	Very low	61.4 Å²	61.4	129.7 Å²	129.7	63%	0.633	70%	0.696	S	S	*	*			trans	168.2	58.4	166.6	0	0	0	0	0	117.2	L2044	G2042-L2044 VanDerWaalsContact C-N 3.31Å; G2042-L2044 VanDerWaalsContact O-CD1 3.28Å; G2042-L2044 WeakPolarHBondContact O-CD1 3.41Å; G2042-L2044 PolarHBondContact O-N 2.93Å
2043	Q	28.8	Very low	28.3	Very low	185 Å²	185	126.6 Å²	126.6	86%	0.864	70%	0.696	S	S	*	*			trans	56.5	122.5	152.5	-56.7	-178	-12.8	0	0	117.3	V2040	V2040-Q2043 HydrophobicContact CG1-CG 4.35Å
2044	L	31.2	Very low	28.3	Very low	152 Å²	152	127.1 Å²	127.1	80%	0.796	70%	0.698	S	S	*	*			trans	-129.4	121.1	163.4	-105.8	89	0	0	0	114	G2042	G2042-L2044 VanDerWaalsContact C-N 3.31Å; G2042-L2044 VanDerWaalsContact O-CD1 3.28Å; G2042-L2044 WeakPolarHBondContact O-CD1 3.41Å; G2042-L2044 PolarHBondContact O-N 2.93Å
2045	M	27	Very low	28.4	Very low	154.2 Å²	154.2	127.8 Å²	127.8	76%	0.76	70%	0.7	S	S	*	*			trans	101	126.1	136.6	-69.2	-65.9	-139	0	0	115.9	Y2047	M2045-Y2047 WeakPolarHBondContact CB-O 3.04Å
2046	N	25.1	Very low	28.3	Very low	124 Å²	124	127.9 Å²	127.9	66%	0.663	70%	0.701	S	S	*	*			trans	148.4	132.9	141.3	-90.5	-12.9	0	0	0	113.6
2047	Y	25.2	Very low	28.2	Very low	168 Å²	168	126.6 Å²	126.6	66%	0.659	70%	0.697	S	S	*	*			trans	70	114.9	154.7	-65.7	-77.3	0	0	0	116.8	M2045 K2542 E2543 F2544 T2547	M2045-Y2047 WeakPolarHBondContact CB-O 3.04Å; Y2047-K2542 CarbonylContact O-C 3.05Å; Y2047-E2543 PolarHBondContact O-N 2.84Å; Y2047-F2544 HydrophobicContact CD2-CB 4.23Å; Y2047-F2544 AromaticContact CD2-CD1 3.95Å; Y2047-F2544 HydrophobicContact CD2-CD1 3.95Å; Y2047-F2544 AromaticContact CD2-CD2 3.37Å; Y2047-F2544 HydrophobicContact CD2-CD2 3.37Å; Y2047-F2544 HydrophobicContact CD2-CE1 4.18Å; Y2047-F2544 AromaticContact CD2-CE2 3.61Å; Y2047-F2544 HydrophobicContact CD2-CE2 3.61Å; Y2047-F2544 AromaticContact CD2-CG 3.55Å; Y2047-F2544 HydrophobicContact CD2-CG 3.55Å; Y2047-F2544 HydrophobicContact CD2-CZ 4.02Å; Y2047-F2544 HydrophobicContact CE2-CB 4.25Å; Y2047-F2544 AromaticContact CE2-CD1 3.22Å; Y2047-F2544 HydrophobicContact CE2-CD1 3.22Å; Y2047-F2544 AromaticContact CE2-CD2 3.51Å; Y2047-F2544 HydrophobicContact CE2-CD2 3.51Å; Y2047-F2544 AromaticContact CE2-CE1 3.29Å; Y2047-F2544 HydrophobicContact CE2-CE1 3.29Å; Y2047-F2544 AromaticContact CE2-CE2 3.54Å; Y2047-F2544 HydrophobicContact CE2-CE2 3.54Å; Y2047-F2544 AromaticContact CE2-CG 3.34Å; Y2047-F2544 HydrophobicContact CE2-CG 3.34Å; Y2047-F2544 AromaticContact CE2-CZ 3.45Å; Y2047-F2544 HydrophobicContact CE2-CZ 3.45Å; Y2047-F2544 VanDerWaalsContact CE2-CZ 3.45Å; Y2047-F2544 HydrophobicContact CG-CD2 4.36Å; Y2047-F2544 HydrophobicContact CG-CG 4.36Å; Y2047-F2544 VanDerWaalsContact CG-N 3.31Å; Y2047-F2544 AromaticContact CZ-CD1 3.56Å; Y2047-F2544 AromaticContact CZ-CE1 3.87Å; Y2047-F2544 AromaticContact CZ-CG 3.92Å; Y2047-T2547 HydrophobicContact CE1-CG2 4.3Å; Y2047-T2547 PolarHBondContact OH-OG1 3.07Å
2048	T	25.6	Very low	28.1	Very low	103.4 Å²	103.4	123.8 Å²	123.8	63%	0.634	69%	0.693	S	S	*	*				44.1	132.7	124	53.7	0	0	0	0	116.2	K2542 E2543 F2544	T2048-K2542 PolarHBondContact OG1-O 3.14Å; T2048-E2543 WeakPolarHBondContact OG1-CA 3.31Å; T2048-E2543 PolarHBondContact OG1-N 3.4Å; T2048-E2543 PolarHBondContact OG1-O 2.96Å; T2048-F2544 PolarHBondContact OG1-N 3.44Å; T2048-F2544 VanDerWaalsContact OG1-N 3.08Å
2049	T	27.5	Very low	27.8	Very low	114.4 Å²	114.4	124.3 Å²	124.3	70%	0.702	70%	0.696	S	S	*	*			trans	33.5	116.5	157.5	52.5	0	0	0	0	115.1	T2051	T2049-T2051 PolarHBondContact O-N 3.29Å
2050	D	27.5	Very low	27.8	Very low	142.6 Å²	142.6	123.5 Å²	123.5	76%	0.763	69%	0.693	S	S	*	*				-123.5	161.5	112.4	-113.4	-17.8	0	0	0	112.7
2051	T	32.8	Very low	27.9	Very low	113.8 Å²	113.8	123.5 Å²	123.5	70%	0.698	69%	0.688	S	S	*	*			trans	10.4	137.1	169.7	45.6	0	0	0	0	115.6	T2049 G2053	T2049-T2051 PolarHBondContact O-N 3.29Å; T2051-G2053 PolarHBondContact O-N 3.04Å; T2051-G2053 VanDerWaalsContact O-N 3.17Å
2052	D	32.9	Very low	28	Very low	137 Å²	137	119.1 Å²	119.1	73%	0.733	68%	0.678	S	S	*	*			trans	-25.5	90.3	158.5	-75.1	-38.4	0	0	0	112.8	K2030 L2054 V2663 P2664	K2030-D2052 WeakPolarHBondContact CE-OD2 3.38Å; K2030-D2052 IonicContact NZ-OD1 3.07Å; K2030-D2052 PolarHBondContact NZ-OD1 3.23Å; K2030-D2052 IonicContact NZ-OD2 2.91Å; K2030-D2052 PolarHBondContact NZ-OD2 3.38Å; D2052-L2054 VanDerWaalsContact C-N 3.3Å; D2052-L2054 PolarHBondContact O-N 3.1Å; D2052-V2663 HydrophobicContact CB-CB 4.5Å; D2052-V2663 HydrophobicContact CB-CG1 3.71Å; D2052-V2663 HydrophobicContact CB-CG2 4.23Å; D2052-V2663 WeakPolarHBondContact O-CB 2.83Å; D2052-V2663 VanDerWaalsContact O-CG1 3.28Å; D2052-V2663 WeakPolarHBondContact O-CG1 3.49Å; D2052-P2664 WeakPolarHBondContact O-CD 3.42Å
2053	G	30.6	Very low	28	Very low	64 Å²	64	123.1 Å²	123.1	66%	0.66	69%	0.685	S	S	*	*			trans	-106.6	66.6	157.6	0	0	0	0	0	113.9	T2051 T2055 P2664	T2051-G2053 PolarHBondContact O-N 3.04Å; T2051-G2053 VanDerWaalsContact O-N 3.17Å; G2053-T2055 PolarHBondContact O-N 3.37Å; G2053-P2664 WeakPolarHBondContact O-CD 3.13Å
2054	L	28.6	Very low	28	Very low	130.2 Å²	130.2	120.3 Å²	120.3	68%	0.682	68%	0.676	S	S	*	*			trans	-42.8	136.2	176.5	-75.5	169.3	0	0	0	113.6	L1921 C2034 D2052 L2056 G2662 P2664	L1921-L2054 HydrophobicContact CD1-CD2 4.23Å; L1921-L2054 HydrophobicContact CD2-CD2 3.54Å; C2034-L2054 PolarHBondContact SG-O 3.43Å; D2052-L2054 VanDerWaalsContact C-N 3.3Å; D2052-L2054 PolarHBondContact O-N 3.1Å; L2054-L2056 PolarHBondContact O-N 3.49Å; L2054-G2662 VanDerWaalsContact CD2-O 3.3Å; L2054-G2662 WeakPolarHBondContact CD2-O 3.32Å; L2054-P2664 VanDerWaalsContact CD1-C 3.48Å; L2054-P2664 WeakPolarHBondContact CD1-O 3.2Å
2055	T	27.6	Very low	28.1	Very low	105.6 Å²	105.6	119.1 Å²	119.1	65%	0.648	67%	0.67	S	S	*	*			trans	-99.1	131.7	141.7	9.5	0	0	0	0	113.9	L1921 C2034 I2035 G2053 I2057	L1921-T2055 HydrophobicContact CB-CG2 4.11Å; L1921-T2055 HydrophobicContact CD1-CG2 3.71Å; L1921-T2055 HydrophobicContact CD2-CG2 4.22Å; L1921-T2055 HydrophobicContact CG-CG2 4.21Å; C2034-T2055 CarbonylContact C-O 3.54Å; C2034-T2055 VanDerWaalsContact CA-O 3.31Å; C2034-T2055 WeakPolarHBondContact CA-O 3.42Å; I2035-T2055 PolarHBondContact N-O 3Å; G2053-T2055 PolarHBondContact O-N 3.37Å; T2055-I2057 HydrophobicContact CG2-CD1 3.69Å; T2055-I2057 HydrophobicContact CG2-CG1 3.83Å; T2055-I2057 PolarHBondContact O-N 2.89Å
2056	L	27.4	Very low	28.3	Very low	133.4 Å²	133.4	116.5 Å²	116.5	70%	0.698	66%	0.663	S	S	*	*			trans	-89.7	131.1	143.4	-82.2	158.3	0	0	0	114.7	S1919 L1921 L2054	S1919-L2056 WeakPolarHBondContact OG-CD2 3.43Å; L1921-L2056 HydrophobicContact CB-CD1 4.01Å; L1921-L2056 HydrophobicContact CB-CD2 4.06Å; L1921-L2056 HydrophobicContact CB-CG 4.14Å; L1921-L2056 HydrophobicContact CD1-CD2 4.48Å; L2054-L2056 PolarHBondContact O-N 3.49Å
2057	I	26.1	Very low	28.6	Very low	117.2 Å²	117.2	116.4 Å²	116.4	60%	0.601	66%	0.662	S	S	*	*			trans	-125.5	139	149.7	-70.1	165.3	0	0	0	111.7	H1918 T2055 S2059 L2522	H1918-I2057 HydrophobicContact CB-CG2 4.24Å; H1918-I2057 WeakPolarHBondContact O-CD1 3.45Å; H1918-I2057 WeakPolarHBondContact O-CG1 3.35Å; H1918-I2057 WeakPolarHBondContact O-CG2 3.07Å; T2055-I2057 HydrophobicContact CG2-CD1 3.69Å; T2055-I2057 HydrophobicContact CG2-CG1 3.83Å; T2055-I2057 PolarHBondContact O-N 2.89Å; I2057-S2059 PolarHBondContact O-N 3.22Å; I2057-L2522 HydrophobicContact CG2-CD1 3.64Å; I2057-L2522 HydrophobicContact CG2-CD2 3.89Å; I2057-L2522 HydrophobicContact CG2-CG 4.48Å
2058	A	24.5	Very low	28.8	Very low	73 Å²	73	115.8 Å²	115.8	60%	0.603	66%	0.663	S	S	*	*			trans	-149.9	135.4	179.2	0	0	0	0	0	110.6	H1918 H2521	H1918-A2058 HydrophobicContact CB-CB 3.71Å; H1918-A2058 PolarHBondContact CD2-O 3.32Å; H1918-A2058 VanDerWaalsContact CG-O 3.29Å; A2058-H2521 PolarHBondContact O-CE1 3.48Å; A2058-H2521 PolarHBondContact O-ND1 3.03Å
2059	S	24.1	Very low	29.2	Very low	84 Å²	84	115.8 Å²	115.8	59%	0.587	67%	0.665	S	S	*	*			trans	152.4	139.1	-174.4	-69.6	0	0	0	0	114.9	N1917 H1918 I2057	N1917-S2059 PolarHBondContact ND2-OG 2.66Å; N1917-S2059 VanDerWaalsContact ND2-OG 3.09Å; H1918-S2059 PolarHBondContact CD2-OG 3.37Å; H1918-S2059 VanDerWaalsContact CD2-OG 3.26Å; H1918-S2059 PolarHBondContact NE2-OG 3.4Å; I2057-S2059 PolarHBondContact O-N 3.22Å
2060	Y	24.9	Very low	29.3	Very low	158.2 Å²	158.2	114.6 Å²	114.6	62%	0.62	66%	0.661	S	S	*	*			trans	70.7	126.1	163.4	-78.1	-83.7	0	0	0	117.8	I2084 H2506 L2522 Q2523 F2524	Y2060-I2084 WeakPolarHBondContact OH-CD1 3.45Å; Y2060-H2506 AromaticContact CZ-NE2 3.8Å; Y2060-H2506 PolarHBondContact OH-NE2 3.34Å; Y2060-H2506 VanDerWaalsContact OH-NE2 3.14Å; Y2060-L2522 HydrophobicContact CD2-CB 3.18Å; Y2060-L2522 HydrophobicContact CD2-CD2 3.28Å; Y2060-L2522 HydrophobicContact CD2-CG 3.71Å; Y2060-L2522 HydrophobicContact CE2-CB 3.67Å; Y2060-L2522 HydrophobicContact CE2-CD2 3.56Å; Y2060-L2522 HydrophobicContact CE2-CG 4.04Å; Y2060-L2522 HydrophobicContact CG-CB 3.66Å; Y2060-L2522 HydrophobicContact CG-CD2 4.45Å; Y2060-L2522 VanDerWaalsContact N-CB 3.25Å; Y2060-Q2523 WeakPolarHBondContact CD1-O 3.18Å; Y2060-Q2523 WeakPolarHBondContact CE1-O 3.43Å; Y2060-F2524 VanDerWaalsContact C-N 3.34Å; Y2060-F2524 HydrophobicContact CD1-CB 3.42Å; Y2060-F2524 VanDerWaalsContact CD1-CB 3.42Å; Y2060-F2524 VanDerWaalsContact CD1-N 3.3Å; Y2060-F2524 HydrophobicContact CE1-CB 4.44Å; Y2060-F2524 HydrophobicContact CG-CB 4.04Å
2061	N	29.1	Very low	29.4	Very low	121.2 Å²	121.2	115.8 Å²	115.8	65%	0.648	66%	0.66	S	S	*	*			trans	165.5	139.5	135.8	-77.7	-15.2	0	0	0	114.2	F2524 E2525	N2061-F2524 VanDerWaalsContact C-N 3.34Å; N2061-F2524 CarbonylContact C-O 3.51Å; N2061-F2524 VanDerWaalsContact CA-C 3.46Å; N2061-F2524 WeakPolarHBondContact CA-O 3.48Å; N2061-F2524 WeakPolarHBondContact OD1-CD2 3.14Å; N2061-E2525 HydrophobicContact CB-CB 4.25Å; N2061-E2525 VanDerWaalsContact CG-CD 3.49Å; N2061-E2525 PolarHBondContact ND2-OE1 3.3Å; N2061-E2525 PolarHBondContact ND2-OE2 3.08Å; N2061-E2525 WeakPolarHBondContact OD1-CB 3.18Å; N2061-E2525 VanDerWaalsContact OD1-CG 3.23Å; N2061-E2525 WeakPolarHBondContact OD1-CG 3.23Å; N2061-E2525 PolarHBondContact OD1-N 2.94Å
2062	G	31.2	Very low	29.3	Very low	57.6 Å²	57.6	114.4 Å²	114.4	59%	0.594	65%	0.654	S	S	*	*				130.4	127.5	91	0	0	0	0	0	112.3	Q2523 F2524	G2062-Q2523 CarbonylContact C-O 2.84Å; G2062-Q2523 WeakPolarHBondContact O-CG 3.49Å; G2062-F2524 VanDerWaalsContact CA-CA 3.47Å; G2062-F2524 WeakPolarHBondContact CA-O 3.07Å; G2062-F2524 PolarHBondContact N-O 2.86Å
2063	D	29.9	Very low	29.2	Very low	145.6 Å²	145.6	114.7 Å²	114.7	78%	0.779	66%	0.655	S	S	*	*				-107.5	156.1	63.4	-63.8	-67.2	0	0	0	111.3	Q2523 F2524 E2525	D2063-Q2523 WeakPolarHBondContact CA-O 3.15Å; D2063-Q2523 PolarHBondContact N-O 3.47Å; D2063-F2524 WeakPolarHBondContact OD1-CA 3.37Å; D2063-E2525 PolarHBondContact OD1-N 3.1Å
2064	D	30	Very low	29.1	Very low	126.6 Å²	126.6	116 Å²	116	68%	0.677	65%	0.654	S	S	*	*				-174.4	140.9	85.4	-136	-2	0	0	0	113	F2524	D2064-F2524 WeakPolarHBondContact OD1-CB 3.1Å; D2064-F2524 WeakPolarHBondContact OD1-CD1 3.21Å
2065	L	33	Very low	29.2	Very low	127 Å²	127	113.3 Å²	113.3	67%	0.665	65%	0.646	S	S	*	*			trans	104.8	136.4	152.4	-71.8	170.9	0	0	0	116.8	D2505	L2065-D2505 CarbonylContact O-C 3.48Å; L2065-D2505 WeakPolarHBondContact O-CA 3.47Å; L2065-D2505 VanDerWaalsContact O-CB 3.31Å; L2065-D2505 WeakPolarHBondContact O-CB 3.4Å; L2065-D2505 PolarHBondContact O-N 3.46Å
2066	V	31.6	Very low	29.4	Very low	100.4 Å²	100.4	115.8 Å²	115.8	61%	0.608	65%	0.648	S	S	*	*			cis	-142.7	137.6	28.7	147	0	0	0	0	112.8	D2505 H2506	V2066-D2505 PolarHBondContact N-O 2.94Å; V2066-D2505 VanDerWaalsContact O-O 3.07Å; V2066-H2506 VanDerWaalsContact C-CB 3.4Å; V2066-H2506 PolarHBondContact O-N 2.59Å
2067	N	30.9	Very low	29.5	Very low	121.4 Å²	121.4	114.8 Å²	114.8	65%	0.649	64%	0.644	S	S	*	*			trans	80.8	133.6	161.8	-74.5	-49.3	0	0	0	116.6	H2506 E2507 P2508	N2067-H2506 CarbonylContact C-O 3.51Å; N2067-H2506 WeakPolarHBondContact CA-O 3.31Å; N2067-H2506 PolarHBondContact N-O 3.13Å; N2067-H2506 VanDerWaalsContact N-O 3.15Å; N2067-E2507 HydrophobicContact CB-CB 4.27Å; N2067-E2507 PolarHBondContact ND2-OE2 2.75Å; N2067-E2507 WeakPolarHBondContact OD1-CB 3.35Å; N2067-E2507 WeakPolarHBondContact OD1-CG 3.21Å; N2067-P2508 WeakPolarHBondContact OD1-CD 3.25Å; N2067-P2508 WeakPolarHBondContact OD1-CG 3.47Å
2068	K	28.3	Very low	29.6	Very low	155.2 Å²	155.2	114.3 Å²	114.3	68%	0.675	64%	0.642	S	S	*	*				-21.7	153.4	91.1	-74.6	166.1	172.8	169.7	0	112	H2506 E2507 P2508	K2068-H2506 PolarHBondContact N-O 3.2Å; K2068-E2507 WeakPolarHBondContact CB-O 3.19Å; K2068-E2507 WeakPolarHBondContact CD-O 3.06Å; K2068-E2507 WeakPolarHBondContact CG-O 3.49Å; K2068-E2507 PolarHBondContact N-O 3.13Å; K2068-P2508 VanDerWaalsContact O-CD 3.25Å; K2068-P2508 WeakPolarHBondContact O-CD 3.43Å
2069	P	34.1	Very low	29.9	Very low	104.2 Å²	104.2	116.7 Å²	116.7	68%	0.677	65%	0.645	S	S	*	*			cis	-137.1	178.2	49.3	40.2	-23.6	0	0	0	115.1
2070	S	29.9	Very low	30.2	Very low	88.8 Å²	88.8	116.9 Å²	116.9	62%	0.621	65%	0.646	S	S	*	*			trans	33	144.7	147	25.4	0	0	0	0	117.4	S2072 D2509	S2070-S2072 PolarHBondContact O-N 3.12Å; S2070-D2509 VanDerWaalsContact CA-OD2 3.29Å; S2070-D2509 WeakPolarHBondContact CA-OD2 3.3Å; S2070-D2509 WeakPolarHBondContact CB-OD2 3.35Å; S2070-D2509 PolarHBondContact N-OD2 3.35Å; S2070-D2509 PolarHBondContact OG-OD2 3.01Å
2071	K	30.3	Very low	30.4	Very low	167.6 Å²	167.6	115.9 Å²	115.9	73%	0.729	65%	0.651	S	S	*	*				99.7	125	118.4	-93.7	-179.5	-179.7	169.6	0	114.8	L2191 F2193	K2071-L2191 CarbonylContact C-O 2.93Å; K2071-L2191 WeakPolarHBondContact CA-O 3.49Å; K2071-L2191 PolarHBondContact N-O 3.02Å; K2071-L2191 PolarHBondContact O-N 3.21Å; K2071-L2191 VanDerWaalsContact O-N 3.08Å; K2071-F2193 HydrophobicContact CB-CD2 4.42Å; K2071-F2193 HydrophobicContact CB-CE2 4.08Å; K2071-F2193 HydrophobicContact CD-CD2 4.05Å; K2071-F2193 HydrophobicContact CD-CE2 3.74Å; K2071-F2193 HydrophobicContact CG-CD2 3.73Å; K2071-F2193 HydrophobicContact CG-CE2 3.71Å
2072	S	29.7	Very low	30.3	Very low	83.4 Å²	83.4	114.3 Å²	114.3	58%	0.583	65%	0.649	S	S	*	*				71.6	137.4	120.5	57.9	0	0	0	0	117.1	S2070 N2190 L2191 K2192 I2680	S2070-S2072 PolarHBondContact O-N 3.12Å; S2072-N2190 CarbonylContact O-C 3.13Å; S2072-N2190 WeakPolarHBondContact O-CA 3.18Å; S2072-L2191 VanDerWaalsContact N-C 3.34Å; S2072-L2191 PolarHBondContact N-O 3.05Å; S2072-L2191 CarbonylContact O-C 3.2Å; S2072-L2191 PolarHBondContact O-N 2.91Å; S2072-K2192 PolarHBondContact O-N 2.64Å; S2072-I2680 CarbonylContact C-O 3.04Å
2073	L	30.6	Very low	30.2	Very low	143.2 Å²	143.2	115.8 Å²	115.8	75%	0.75	65%	0.651	S	S	*	*				-165.7	150.6	101.5	-100.7	117.3	0	0	0	112.8	K2192 I2680	L2073-K2192 VanDerWaalsContact CD2-NZ 3.26Å; L2073-I2680 HydrophobicContact CB-CB 3.92Å; L2073-I2680 HydrophobicContact CB-CG2 3.51Å; L2073-I2680 PolarHBondContact N-O 3.25Å; L2073-I2680 PolarHBondContact O-N 3.3Å
2074	S	29.7	Very low	30.2	Very low	91.6 Å²	91.6	114.2 Å²	114.2	64%	0.641	64%	0.641	S	S	*	*			trans	-131.5	150	154.1	53	0	0	0	0	113.6	I2680 H2695	S2074-I2680 WeakPolarHBondContact O-CD1 3.41Å; S2074-H2695 PolarHBondContact O-CE1 3.15Å
2075	S	30.2	Very low	30.2	Very low	74 Å²	74	113.8 Å²	113.8	52%	0.517	64%	0.638	S	S	.	*			cis	155.2	152.6	29	44	0	0	0	0	112.6	K2192 R2678 I2680	S2075-K2192 VanDerWaalsContact CA-NZ 3.26Å; S2075-R2678 CarbonylContact C-O 3.14Å; S2075-R2678 CarbonylContact O-C 3.06Å; S2075-I2680 WeakPolarHBondContact O-CD1 3.14Å
2076	F	31	Very low	30.1	Very low	158 Å²	158	111.3 Å²	111.3	69%	0.693	63%	0.631	S	S	*	*				-174.1	127.7	55.9	-66.5	-99.2	0	0	0	112.6	R2678	F2076-R2678 PolarHBondContact N-O 3.17Å
2077	D	29.8	Very low	30	Very low	111.6 Å²	111.6	113 Å²	113	60%	0.597	63%	0.632	S	S	*	*				95.1	153.7	80.9	-76.8	-23.5	0	0	0	118.7	E2497	D2077-E2497 PolarHBondContact OD2-N 2.83Å
2078	N	30	Very low	29.9	Very low	107.2 Å²	107.2	112.5 Å²	112.5	57%	0.573	63%	0.629	S	S	*	*			trans	113.2	128.6	143.8	-94.7	-32.2	0	0	0	119.6	H2498 I2499 P2500	N2078-H2498 CarbonylContact C-O 3.21Å; N2078-H2498 WeakPolarHBondContact CA-O 3.27Å; N2078-H2498 WeakPolarHBondContact CB-O 3.41Å; N2078-H2498 WeakPolarHBondContact O-CB 3.49Å; N2078-I2499 CarbonylContact C-O 3.58Å; N2078-I2499 WeakPolarHBondContact ND2-CA 3.15Å; N2078-I2499 PolarHBondContact ND2-O 3.27Å; N2078-I2499 VanDerWaalsContact ND2-O 3.14Å; N2078-I2499 VanDerWaalsContact OD1-C 3.29Å; N2078-I2499 PolarHBondContact OD1-O 3.48Å; N2078-P2500 PolarHBondContact ND2-O 3.43Å; N2078-P2500 WeakPolarHBondContact OD1-CD 3.35Å
2079	N	29.1	Very low	29.9	Very low	124.8 Å²	124.8	109.8 Å²	109.8	67%	0.667	63%	0.63	S	S	*	*			trans	71.1	118	140.7	-83.5	-44.8	0	0	0	119.2	L2199 H2498 I2499	N2079-L2199 WeakPolarHBondContact O-CD1 3.19Å; N2079-H2498 HydrophobicContact CB-CB 3.78Å; N2079-H2498 VanDerWaalsContact CB-CD2 3.49Å; N2079-H2498 WeakPolarHBondContact CB-CD2 3.1Å; N2079-H2498 VanDerWaalsContact ND2-C 3.31Å; N2079-H2498 WeakPolarHBondContact ND2-CB 3.38Å; N2079-H2498 PolarHBondContact ND2-CD2 3.14Å; N2079-H2498 VanDerWaalsContact ND2-CG 3.35Å; N2079-I2499 WeakPolarHBondContact CA-O 3.3Å; N2079-I2499 PolarHBondContact N-O 2.7Å; N2079-I2499 PolarHBondContact ND2-N 3.16Å; N2079-I2499 PolarHBondContact ND2-O 2.71Å
2080	S	30.9	Very low	29.8	Very low	87.2 Å²	87.2	110.2 Å²	110.2	61%	0.61	64%	0.636	S	S	*	*				133.2	121.8	109.4	-39.3	0	0	0	0	117.5	V2502	S2080-V2502 CarbonylContact C-O 3.36Å; S2080-V2502 VanDerWaalsContact C-O 3.31Å
2081	L	29	Very low	29.9	Very low	137.8 Å²	137.8	110.4 Å²	110.4	72%	0.721	64%	0.637	S	S	*	*			trans	79.6	111.3	157.2	-83.7	159.9	0	0	0	121.8	V2502	L2081-V2502 PolarHBondContact N-O 3.41Å
2082	S	27.8	Very low	29.9	Very low	87.6 Å²	87.6	110 Å²	110	61%	0.613	64%	0.637	S	S	*	*			trans	55.6	131	131.7	65.8	0	0	0	0	122.6	S2504 D2505	S2082-S2504 VanDerWaalsContact N-C 3.29Å; S2082-S2504 PolarHBondContact N-O 3.45Å; S2082-S2504 PolarHBondContact O-N 2.76Å; S2082-S2504 VanDerWaalsContact O-N 3.11Å; S2082-D2505 WeakPolarHBondContact CA-O 3.34Å
2083	S	28.4	Very low	30	Very low	89.6 Å²	89.6	113.3 Å²	113.3	63%	0.627	64%	0.644	S	S	*	*				156.7	157.9	127.9	76.7	0	0	0	0	116.1	I2085 D2505	S2083-I2085 PolarHBondContact O-N 3.43Å; S2083-D2505 WeakPolarHBondContact CB-OD1 3.06Å
2084	I	29.3	Very low	29.8	Very low	111.8 Å²	111.8	112.2 Å²	112.2	57%	0.573	64%	0.643	S	S	*	*			trans	-109.6	119.5	130.5	-94.2	171.2	0	0	0	112.4	Y2060 L2103 D2505 H2506	Y2060-I2084 WeakPolarHBondContact OH-CD1 3.45Å; I2084-L2103 CarbonylContact O-C 3.33Å; I2084-L2103 VanDerWaalsContact O-CB 3.28Å; I2084-L2103 WeakPolarHBondContact O-CB 3.39Å; I2084-D2505 WeakPolarHBondContact CA-OD1 3.17Å; I2084-D2505 HydrophobicContact CB-CB 3.96Å; I2084-D2505 HydrophobicContact CD1-CB 3.86Å; I2084-D2505 HydrophobicContact CG1-CB 4.13Å; I2084-D2505 PolarHBondContact N-OD1 3.46Å; I2084-H2506 HydrophobicContact CB-CB 4.42Å; I2084-H2506 WeakPolarHBondContact CD1-CD2 3.23Å; I2084-H2506 WeakPolarHBondContact CD1-NE2 3.13Å; I2084-H2506 HydrophobicContact CG2-CB 4.27Å
2085	I	29.9	Very low	29.7	Very low	116.8 Å²	116.8	113.7 Å²	113.7	60%	0.599	65%	0.648	S	S	*	*				67.6	124	116.6	-63.8	170	0	0	0	116.3	S2083 L2103 S2104 P2105	S2083-I2085 PolarHBondContact O-N 3.43Å; I2085-L2103 CarbonylContact O-C 3.25Å; I2085-L2103 WeakPolarHBondContact O-CA 3.42Å; I2085-L2103 VanDerWaalsContact O-CB 3.22Å; I2085-L2103 WeakPolarHBondContact O-CB 3.08Å; I2085-L2103 WeakPolarHBondContact O-CD2 3.3Å; I2085-S2104 CarbonylContact O-C 3.06Å; I2085-S2104 WeakPolarHBondContact O-CA 3.19Å; I2085-S2104 PolarHBondContact O-N 3.05Å; I2085-S2104 PolarHBondContact O-OG 3.03Å; I2085-P2105 VanDerWaalsContact O-CD 3.3Å; I2085-P2105 WeakPolarHBondContact O-CD 3.47Å
2086	S	30.8	Very low	29.6	Very low	74.8 Å²	74.8	113.8 Å²	113.8	52%	0.523	65%	0.653	S	S	.	*				156.8	152	112.4	-80.1	0	0	0	0	115.2	S2104 P2105	S2086-S2104 VanDerWaalsContact C-OG 3.32Å; S2086-S2104 PolarHBondContact O-OG 3.2Å; S2086-P2105 WeakPolarHBondContact O-CG 3.49Å
2087	Q	29.7	Very low	29.3	Very low	136.8 Å²	136.8	114.7 Å²	114.7	64%	0.639	66%	0.662	S	S	*	*				86.7	143.6	116.6	-71.5	174.5	-78.3	0	0	118.9	I2518 H2520	Q2087-I2518 HydrophobicContact CB-CB 3.97Å; Q2087-I2518 HydrophobicContact CB-CG1 3.55Å; Q2087-I2518 HydrophobicContact CB-CG2 4.1Å; Q2087-I2518 HydrophobicContact CG-CB 4.21Å; Q2087-I2518 HydrophobicContact CG-CG1 4.34Å; Q2087-I2518 HydrophobicContact CG-CG2 4Å; Q2087-H2520 HydrophobicContact CG-CB 4.28Å; Q2087-H2520 VanDerWaalsContact NE2-N 3.2Å; Q2087-H2520 PolarHBondContact NE2-O 2.58Å; Q2087-H2520 VanDerWaalsContact NE2-O 3.08Å
2088	D	29.3	Very low	29.1	Very low	110.4 Å²	110.4	114.8 Å²	114.8	59%	0.59	67%	0.67	S	S	*	*			cis	166	135.6	32.2	-90	-26	0	0	0	116.3	H2519 H2520	D2088-H2519 PolarHBondContact OD2-N 2.81Å; D2088-H2520 PolarHBondContact OD2-N 3.14Å
2089	S	29.4	Very low	29.1	Very low	97.8 Å²	97.8	116.8 Å²	116.8	68%	0.684	68%	0.68	S	S	*	*				64.4	137.8	125.3	30.1	0	0	0	0	120
2090	S	30.9	Very low	28.9	Very low	114.2 Å²	114.2	115.3 Å²	115.3	80%	0.799	68%	0.679	S	S	*	*			trans	112.1	126.8	159.7	62.6	0	0	0	0	114.6
2091	S	32.1	Very low	28.8	Very low	92 Å²	92	118.4 Å²	118.4	64%	0.643	69%	0.689	S	S	*	*			trans	-136.9	134	141.1	56.4	0	0	0	0	112.1	T1980 H1981 Q2093	T1980-S2091 WeakPolarHBondContact CB-OG 3.32Å; T1980-S2091 VanDerWaalsContact CG2-O 3.23Å; T1980-S2091 WeakPolarHBondContact CG2-O 3.44Å; T1980-S2091 WeakPolarHBondContact OG1-CB 3.06Å; T1980-S2091 PolarHBondContact OG1-OG 2.99Å; H1981-S2091 WeakPolarHBondContact CD2-CA 3.11Å; H1981-S2091 VanDerWaalsContact CD2-CB 3.42Å; H1981-S2091 WeakPolarHBondContact CD2-CB 3.48Å; S2091-Q2093 WeakPolarHBondContact O-CG 3.14Å
2092	E	31.3	Very low	28.7	Very low	158.8 Å²	158.8	116.3 Å²	116.3	74%	0.742	69%	0.686	S	S	*	*			trans	-99.6	138.9	167.2	-80.8	-179.1	173.4	0	0	112.2	T1980 H1981 P1983	T1980-E2092 HydrophobicContact CG2-CB 3.5Å; H1981-E2092 VanDerWaalsContact CA-OE1 3.32Å; H1981-E2092 WeakPolarHBondContact CA-OE1 3.47Å; H1981-E2092 VanDerWaalsContact CD2-CB 3.45Å; H1981-E2092 WeakPolarHBondContact CD2-CB 3.43Å; H1981-E2092 VanDerWaalsContact CD2-CG 3.43Å; H1981-E2092 WeakPolarHBondContact CD2-CG 3.45Å; H1981-E2092 PolarHBondContact CD2-N 3.44Å; H1981-E2092 IonicContact CG-OE1 3.64Å; H1981-E2092 PolarHBondContact N-OE1 2.92Å; H1981-E2092 PolarHBondContact N-OE2 3.34Å; H1981-E2092 PolarHBondContact NE2-N 2.8Å; P1983-E2092 WeakPolarHBondContact CD-OE1 3.25Å
2093	Q	31	Very low	28.9	Very low	154.2 Å²	154.2	119.3 Å²	119.3	72%	0.721	69%	0.694	S	S	*	*				106.6	134.6	84.1	-82.9	175.4	25.2	0	0	114.9	N1978 T1980 S2091	N1978-Q2093 VanDerWaalsContact OD1-CG 3.31Å; N1978-Q2093 WeakPolarHBondContact OD1-CG 3.42Å; N1978-Q2093 PolarHBondContact OD1-NE2 3.07Å; N1978-Q2093 PolarHBondContact OD1-OE1 2.82Å; T1980-Q2093 HydrophobicContact CG2-CG 4.06Å; S2091-Q2093 WeakPolarHBondContact O-CG 3.14Å
2094	T	27.1	Very low	28.8	Very low	119.2 Å²	119.2	119.7 Å²	119.7	73%	0.731	70%	0.697	S	S	*	*				32.8	127.8	129.3	-25.2	0	0	0	0	115.9
2095	V	27.3	Very low	29.2	Very low	124 Å²	124	119.4 Å²	119.4	75%	0.752	70%	0.702	S	S	*	*				-166	134.5	95.2	167.3	0	0	0	0	112.7
2096	A	26.8	Very low	29.4	Very low	75 Å²	75	118.5 Å²	118.5	62%	0.62	70%	0.704	S	S	*	*			trans	50.5	142.4	136	0	0	0	0	0	117.6
2097	M	25.5	Very low	29.3	Very low	176.2 Å²	176.2	123.7 Å²	123.7	87%	0.868	72%	0.717	S	S	*	*				-125.5	135.5	107.2	-72.2	172.3	-70.2	0	0	112.8
2098	C	26.2	Very low	29.2	Very low	114.8 Å²	114.8	123.1 Å²	123.1	78%	0.776	72%	0.718	S	S	*	*			trans	174.2	124.9	134.5	-85.5	0	0	0	0	115
2099	L	28.4	Very low	29.2	Very low	149.8 Å²	149.8	125.4 Å²	125.4	78%	0.784	73%	0.725	S	S	*	*			trans	49.6	128.7	154.4	-57.1	170.5	0	0	0	116.5
2100	S	25.7	Very low	29.1	Very low	93.2 Å²	93.2	126.8 Å²	126.8	65%	0.652	73%	0.725	S	S	*	*				92.4	136.5	93	-53.7	0	0	0	0	115.7
2101	D	28.9	Very low	29	Very low	152 Å²	152	125.3 Å²	125.3	81%	0.813	71%	0.714	S	S	*	*			trans	73.9	123.6	142.8	-68.7	-37.1	0	0	0	115
2102	S	27.8	Very low	28.8	Very low	93.6 Å²	93.6	128.2 Å²	128.2	66%	0.655	72%	0.718	S	S	*	*				167.2	145.7	87	63.4	0	0	0	0	111.9
2103	L	30.7	Very low	28.6	Very low	150 Å²	150	126.2 Å²	126.2	79%	0.785	71%	0.712	S	S	*	*			trans	94.2	129.6	159.2	-68.2	151.4	0	0	0	116.1	I2084 I2085	I2084-L2103 CarbonylContact O-C 3.33Å; I2084-L2103 VanDerWaalsContact O-CB 3.28Å; I2084-L2103 WeakPolarHBondContact O-CB 3.39Å; I2085-L2103 CarbonylContact O-C 3.25Å; I2085-L2103 WeakPolarHBondContact O-CA 3.42Å; I2085-L2103 VanDerWaalsContact O-CB 3.22Å; I2085-L2103 WeakPolarHBondContact O-CB 3.08Å; I2085-L2103 WeakPolarHBondContact O-CD2 3.3Å
2104	S	27.2	Very low	28.4	Very low	99 Å²	99	126.6 Å²	126.6	69%	0.692	71%	0.712	S	S	*	*			trans	-166.7	166.7	167.5	-49.4	0	0	0	0	114.3	I2085 S2086	I2085-S2104 CarbonylContact O-C 3.06Å; I2085-S2104 WeakPolarHBondContact O-CA 3.19Å; I2085-S2104 PolarHBondContact O-N 3.05Å; I2085-S2104 PolarHBondContact O-OG 3.03Å; S2086-S2104 VanDerWaalsContact C-OG 3.32Å; S2086-S2104 PolarHBondContact O-OG 3.2Å
2105	P	36.4	Very low	28.4	Very low	104.8 Å²	104.8	128.5 Å²	128.5	68%	0.681	71%	0.71	S	S	*	*			trans	-94.3	-162.6	-161	37.1	-31.9	0	0	0	113.3	I2085 S2086	I2085-P2105 VanDerWaalsContact O-CD 3.3Å; I2085-P2105 WeakPolarHBondContact O-CD 3.47Å; S2086-P2105 WeakPolarHBondContact O-CG 3.49Å
2106	P	35	Very low	28.5	Very low	98.6 Å²	98.6	129.5 Å²	129.5	64%	0.64	71%	0.712	S	S	*	*				-140.1	172.2	106	39.1	-21.2	0	0	0	116.8
2107	F	28.2	Very low	28.6	Very low	182.6 Å²	182.6	128.5 Å²	128.5	80%	0.801	71%	0.709	S	S	*	*			trans	55.3	154.2	156.1	-69.3	-71.3	0	0	0	117.9	R2184	F2107-R2184 PolarHBondContact O-NH2 3.08Å
2108	L	28.6	Very low	28.8	Very low	124.4 Å²	124.4	127.1 Å²	127.1	65%	0.651	71%	0.705	S	S	*	*			cis	-166	170.8	-18.4	-103.6	156.6	0	0	0	110.7
2109	E	28.7	Very low	28.8	Very low	159.6 Å²	159.6	128 Å²	128	75%	0.746	70%	0.702	S	S	*	*				157.6	154.1	114.8	-111.2	141.8	-145.8	0	0	112.1	R2183	E2109-R2183 PolarHBondContact O-NH1 3.35Å
2110	D	28.1	Very low	28.9	Very low	127 Å²	127	129 Å²	129	68%	0.679	70%	0.7	S	S	*	*			trans	-143.1	-172.2	-134.1	-114.8	6.4	0	0	0	114.3	R2183	D2110-R2183 IonicContact OD1-CZ 3.44Å; D2110-R2183 IonicContact OD1-NH1 3.95Å; D2110-R2183 PolarHBondContact OD1-NH1 2.76Å; D2110-R2183 IonicContact OD1-NH2 3.94Å; D2110-R2183 IonicContact OD2-CZ 2.75Å; D2110-R2183 IonicContact OD2-NH1 2.64Å; D2110-R2183 PolarHBondContact OD2-NH1 2.91Å; D2110-R2183 IonicContact OD2-NH2 3.73Å; D2110-R2183 PolarHBondContact OD2-NH2 2.89Å
2111	S	28.4	Very low	29	Very low	81.8 Å²	81.8	129.7 Å²	129.7	57%	0.572	70%	0.701	S	S	*	*			trans	-169.5	176.1	141.3	54.2	0	0	0	0	116.2
2112	Q	27.9	Very low	29.1	Very low	153.4 Å²	153.4	129.1 Å²	129.1	72%	0.717	69%	0.693	S	S	*	*			trans	62.7	133.2	156.4	-72.4	160.3	-13.2	0	0	120
2113	D	26.8	Very low	29.2	Very low	117.4 Å²	117.4	132.6 Å²	132.6	63%	0.628	70%	0.697	S	S	*	*			cis	167.8	141.6	31.2	-80.3	-24.7	0	0	0	114.4
2114	F	26.4	Very low	29.3	Very low	162.6 Å²	162.6	133.4 Å²	133.4	71%	0.713	69%	0.694	S	S	*	*				167.6	142.5	84.4	-108.8	-107.3	0	0	0	117.1
2115	F	26.6	Very low	29.2	Very low	158.8 Å²	158.8	139 Å²	139	70%	0.696	70%	0.7	S	S	*	*			trans	30.6	130.4	144.9	-83.6	-109.5	0	0	0	118.3
2116	N	29.1	Very low	28.8	Very low	144.6 Å²	144.6	138.6 Å²	138.6	77%	0.773	70%	0.699	S	S	*	*				103.9	135.7	107.8	-83.2	-35	0	0	0	115.9
2117	G	30.6	Very low	28.4	Very low	54.6 Å²	54.6	140.1 Å²	140.1	56%	0.563	70%	0.702	S	S	*	*			cis	130.9	123.8	22.8	0	0	0	0	0	116.1	P2178	G2117-P2178 WeakPolarHBondContact O-CD 3.35Å; G2117-P2178 WeakPolarHBondContact O-CG 3.1Å
2118	N	28.1	Very low	28.4	Very low	146.6 Å²	146.6	138.1 Å²	138.1	78%	0.784	70%	0.699	S	S	*	*			trans	45	115.8	134.1	-72.1	-11.9	0	0	0	117.6
2119	N	27.7	Very low	28.5	Very low	134.6 Å²	134.6	138.6 Å²	138.6	72%	0.72	70%	0.702	S	S	*	*				-165.5	146.7	104.8	-90.8	-29	0	0	0	115.2
2120	F	29.3	Very low	28.5	Very low	170 Å²	170	136.9 Å²	136.9	75%	0.746	70%	0.697	S	S	*	*			trans	52.7	116.6	142.7	-82.7	-98.6	0	0	0	121.2	K2124 R2125	F2120-K2124 WeakPolarHBondContact O-CB 3.49Å; F2120-R2125 CarbonylContact C-O 3.57Å
2121	T	28.7	Very low	28.5	Very low	108.4 Å²	108.4	136.3 Å²	136.3	67%	0.665	69%	0.694	S	S	*	*				105.9	139.5	97.4	41.1	0	0	0	0	117	K2124	T2121-K2124 CarbonylContact O-C 2.85Å; T2121-K2124 VanDerWaalsContact O-C 3.24Å; T2121-K2124 WeakPolarHBondContact O-CA 3.32Å; T2121-K2124 WeakPolarHBondContact O-CB 3.48Å; T2121-K2124 PolarHBondContact O-N 3.04Å; T2121-K2124 PolarHBondContact OG1-NZ 3.16Å; T2121-K2124 VanDerWaalsContact OG1-NZ 3.13Å
2122	E	30.4	Very low	28.6	Very low	138.6 Å²	138.6	140.4 Å²	140.4	65%	0.648	70%	0.697	S	S	*	*				136.4	149.1	94.3	-128.5	-140.8	148.2	0	0	115.5	K2124	E2122-K2124 CarbonylContact C-O 3.54Å; E2122-K2124 VanDerWaalsContact C-O 3.25Å; E2122-K2124 VanDerWaalsContact O-CB 3.31Å; E2122-K2124 WeakPolarHBondContact O-CB 3.22Å; E2122-K2124 WeakPolarHBondContact O-CD 3.35Å; E2122-K2124 WeakPolarHBondContact O-CE 3.39Å; E2122-K2124 WeakPolarHBondContact O-CG 2.88Å; E2122-K2124 PolarHBondContact O-N 2.78Å; E2122-K2124 PolarHBondContact O-NZ 3.07Å; E2122-K2124 IonicContact OE2-NZ 2.75Å; E2122-K2124 PolarHBondContact OE2-NZ 3.2Å
2123	K	29.8	Very low	28.6	Very low	168.2 Å²	168.2	138.4 Å²	138.4	73%	0.731	70%	0.695	S	S	*	*			trans	7.7	103.6	161.8	-51.5	-176.3	173	157.6	0	116.2
2124	K	33.3	Very low	28.5	Very low	166.4 Å²	166.4	139.3 Å²	139.3	72%	0.723	70%	0.7	S	S	*	*			trans	115	158.8	168.7	-75.2	169.9	-168.8	166.9	0	110.3	F2120 T2121 E2122	F2120-K2124 WeakPolarHBondContact O-CB 3.49Å; T2121-K2124 CarbonylContact O-C 2.85Å; T2121-K2124 VanDerWaalsContact O-C 3.24Å; T2121-K2124 WeakPolarHBondContact O-CA 3.32Å; T2121-K2124 WeakPolarHBondContact O-CB 3.48Å; T2121-K2124 PolarHBondContact O-N 3.04Å; T2121-K2124 PolarHBondContact OG1-NZ 3.16Å; T2121-K2124 VanDerWaalsContact OG1-NZ 3.13Å; E2122-K2124 CarbonylContact C-O 3.54Å; E2122-K2124 VanDerWaalsContact C-O 3.25Å; E2122-K2124 VanDerWaalsContact O-CB 3.31Å; E2122-K2124 WeakPolarHBondContact O-CB 3.22Å; E2122-K2124 WeakPolarHBondContact O-CD 3.35Å; E2122-K2124 WeakPolarHBondContact O-CE 3.39Å; E2122-K2124 WeakPolarHBondContact O-CG 2.88Å; E2122-K2124 PolarHBondContact O-N 2.78Å; E2122-K2124 PolarHBondContact O-NZ 3.07Å; E2122-K2124 IonicContact OE2-NZ 2.75Å; E2122-K2124 PolarHBondContact OE2-NZ 3.2Å
2125	R	24.9	Very low	28.4	Very low	216.6 Å²	216.6	136.4 Å²	136.4	82%	0.817	70%	0.695	S	S	*	*			cis	-141	150.4	23.5	-133.3	174.6	-178	168.2	-1.7	109.7	F2120	F2120-R2125 CarbonylContact C-O 3.57Å
2126	S	27.4	Very low	28.3	Very low	95.6 Å²	95.6	135.7 Å²	135.7	67%	0.669	69%	0.692	S	S	*	*				108	131	116.7	-129	0	0	0	0	114.8
2127	N	26.5	Very low	28.1	Very low	130.6 Å²	130.6	133.7 Å²	133.7	70%	0.698	68%	0.682	S	S	*	*			trans	73.7	143.1	130.3	-66.4	13.6	0	0	0	119.1
2128	L	29.6	Very low	27.8	Very low	139.4 Å²	139.4	138.1 Å²	138.1	73%	0.73	69%	0.686	S	S	*	*				116.9	135.6	112.4	-85.6	125.3	0	0	0	115
2129	L	29.5	Very low	27.7	Very low	136.8 Å²	136.8	136 Å²	136	72%	0.716	67%	0.674	S	S	*	*				72	128.9	112.3	-71	149.6	0	0	0	116.8
2130	N	29.6	Very low	27.7	Very low	123 Å²	123	135.8 Å²	135.8	66%	0.658	67%	0.669	S	S	*	*				110.8	161.1	88.7	-88.7	16.6	0	0	0	116.6
2131	D	28.5	Very low	27.7	Very low	114.4 Å²	114.4	132.1 Å²	132.1	61%	0.612	66%	0.657	S	S	*	*				-132.7	138.3	104.5	-90.4	-30.3	0	0	0	113.5
2132	R	30.4	Very low	27.6	Very low	167.2 Å²	167.2	133.5 Å²	133.5	63%	0.631	66%	0.656	S	S	*	*			cis	-179.5	138.1	48.8	-111.4	167.8	170.4	151.3	1.8	112.1	M2169	R2132-M2169 PolarHBondContact NH2-SD 2.88Å
2133	T	26.6	Very low	27.4	Very low	111.4 Å²	111.4	133 Å²	133	68%	0.683	66%	0.655	S	S	*	*				34.4	117.4	129	57.5	0	0	0	0	118.1	T2135	T2133-T2135 WeakPolarHBondContact CB-OG1 3.17Å
2134	L	25.4	Very low	27.2	Very low	137.2 Å²	137.2	130.4 Å²	130.4	72%	0.718	65%	0.649	S	S	*	*			trans	-130	111.9	140.6	-85.6	166.6	0	0	0	110.9	F2136	L2134-F2136 HydrophobicContact CD2-CD2 3.64Å; L2134-F2136 HydrophobicContact CD2-CE2 3.57Å
2135	T	24.2	Very low	26.9	Very low	101.6 Å²	101.6	128.3 Å²	128.3	62%	0.623	65%	0.645	S	S	*	*				61.9	104.3	111.1	-30.1	0	0	0	0	113.3	T2133 N2137	T2133-T2135 WeakPolarHBondContact CB-OG1 3.17Å; T2135-N2137 WeakPolarHBondContact CG2-OD1 3.44Å
2136	F	24.4	Very low	26.8	Very low	143.2 Å²	143.2	127.9 Å²	127.9	63%	0.628	64%	0.644	S	S	*	*				-148.3	116.8	126.3	-102.6	-81.8	0	0	0	110.4	L2134 F2138	L2134-F2136 HydrophobicContact CD2-CD2 3.64Å; L2134-F2136 HydrophobicContact CD2-CE2 3.57Å; F2136-F2138 HydrophobicContact CD1-CD2 4.31Å; F2136-F2138 HydrophobicContact CD1-CE1 4.15Å; F2136-F2138 AromaticContact CD1-CE2 3.48Å; F2136-F2138 HydrophobicContact CD1-CE2 3.93Å; F2136-F2138 VanDerWaalsContact CD1-CE2 3.48Å; F2136-F2138 AromaticContact CD1-CZ 3.49Å; F2136-F2138 HydrophobicContact CD1-CZ 3.49Å; F2136-F2138 VanDerWaalsContact CD1-CZ 3.49Å; F2136-F2138 HydrophobicContact CE1-CE1 4.27Å; F2136-F2138 AromaticContact CE1-CE2 3.97Å; F2136-F2138 HydrophobicContact CE1-CE2 4.12Å; F2136-F2138 AromaticContact CE1-CZ 3.57Å; F2136-F2138 HydrophobicContact CE1-CZ 3.57Å; F2136-F2138 HydrophobicContact CG-CE2 4.4Å; F2136-F2138 PolarHBondContact O-N 3.44Å
2137	N	24.1	Very low	26.7	Very low	104.2 Å²	104.2	127.5 Å²	127.5	56%	0.557	64%	0.642	S	S	*	*			trans	-100.1	142.7	142.9	-86.7	-26.5	0	0	0	111.7	N1813 T2135 N2139	N1813-N2137 PolarHBondContact ND2-OD1 3.21Å; N1813-N2137 VanDerWaalsContact ND2-OD1 3.07Å; T2135-N2137 WeakPolarHBondContact CG2-OD1 3.44Å; N2137-N2139 HydrophobicContact CB-CB 4.11Å; N2137-N2139 PolarHBondContact O-N 3.3Å; N2137-N2139 PolarHBondContact O-ND2 2.92Å
2138	F	25.5	Very low	26.7	Very low	146.4 Å²	146.4	128.4 Å²	128.4	64%	0.642	64%	0.642	S	S	*	*			trans	72.6	121.8	142.5	-83.9	-67.6	0	0	0	114.2	N1811 T1812 F2136 H2140	N1811-F2138 VanDerWaalsContact C-CE1 3.46Å; N1811-F2138 WeakPolarHBondContact O-CE1 3.04Å; N1811-F2138 WeakPolarHBondContact O-CZ 2.99Å; T1812-F2138 WeakPolarHBondContact O-CE1 2.52Å; T1812-F2138 VanDerWaalsContact O-CE2 3.28Å; T1812-F2138 WeakPolarHBondContact O-CE2 3.35Å; T1812-F2138 WeakPolarHBondContact O-CZ 3.44Å; F2136-F2138 HydrophobicContact CD1-CD2 4.31Å; F2136-F2138 HydrophobicContact CD1-CE1 4.15Å; F2136-F2138 AromaticContact CD1-CE2 3.48Å; F2136-F2138 HydrophobicContact CD1-CE2 3.93Å; F2136-F2138 VanDerWaalsContact CD1-CE2 3.48Å; F2136-F2138 AromaticContact CD1-CZ 3.49Å; F2136-F2138 HydrophobicContact CD1-CZ 3.49Å; F2136-F2138 VanDerWaalsContact CD1-CZ 3.49Å; F2136-F2138 HydrophobicContact CE1-CE1 4.27Å; F2136-F2138 AromaticContact CE1-CE2 3.97Å; F2136-F2138 HydrophobicContact CE1-CE2 4.12Å; F2136-F2138 AromaticContact CE1-CZ 3.57Å; F2136-F2138 HydrophobicContact CE1-CZ 3.57Å; F2136-F2138 HydrophobicContact CG-CE2 4.4Å; F2136-F2138 PolarHBondContact O-N 3.44Å; F2138-H2140 PolarHBondContact O-N 3.12Å; F2138-H2140 VanDerWaalsContact O-N 3.15Å
2139	N	25.9	Very low	26.6	Very low	101.2 Å²	101.2	128.7 Å²	128.7	54%	0.541	64%	0.639	S	S	.	*			cis	-134.5	138.8	16.8	-95.7	-28.1	0	0	0	111.5	I1810 N1823 S1824 N2137	I1810-N2139 WeakPolarHBondContact CG2-ND2 3.17Å; N1823-N2139 HydrophobicContact CB-CB 4.09Å; N1823-N2139 WeakPolarHBondContact CB-OD1 3.47Å; N1823-N2139 WeakPolarHBondContact ND2-CA 3.41Å; N1823-N2139 PolarHBondContact OD1-OD1 3.37Å; S1824-N2139 WeakPolarHBondContact CA-OD1 3.32Å; S1824-N2139 PolarHBondContact N-OD1 3.09Å; S1824-N2139 WeakPolarHBondContact OG-CB 3.3Å; S1824-N2139 PolarHBondContact OG-ND2 2.97Å; N2137-N2139 HydrophobicContact CB-CB 4.11Å; N2137-N2139 PolarHBondContact O-N 3.3Å; N2137-N2139 PolarHBondContact O-ND2 2.92Å
2140	H	28.1	Very low	26.3	Very low	132.2 Å²	132.2	128.4 Å²	128.4	61%	0.612	64%	0.638	S	S	*	*				173.1	127.8	80.4	-124	50.6	0	0	0	113.4	H1822 N1823 F2138 Q2142	H1822-H2140 CarbonylContact C-O 3.52Å; H1822-H2140 VanDerWaalsContact CB-O 3.22Å; H1822-H2140 WeakPolarHBondContact CB-O 3.23Å; N1823-H2140 WeakPolarHBondContact CB-O 3.12Å; N1823-H2140 PolarHBondContact N-O 2.73Å; F2138-H2140 PolarHBondContact O-N 3.12Å; F2138-H2140 VanDerWaalsContact O-N 3.15Å; H2140-Q2142 PolarHBondContact CD2-NE2 2.83Å; H2140-Q2142 PolarHBondContact NE2-NE2 2.72Å; H2140-Q2142 VanDerWaalsContact NE2-NE2 3.17Å
2141	N	27.8	Very low	26.2	Very low	91.4 Å²	91.4	127 Å²	127	49%	0.489	64%	0.638	S	S	.	*			trans	133.5	139.2	134.6	-84.6	-13.5	0	0	0	116.8	H1822 N1823 T2869 T2870	H1822-N2141 CarbonylContact O-C 3.35Å; H1822-N2141 VanDerWaalsContact O-CA 3.29Å; H1822-N2141 WeakPolarHBondContact O-CA 3.29Å; N1823-N2141 WeakPolarHBondContact O-CA 3.33Å; N1823-N2141 PolarHBondContact O-N 3.02Å; N1823-N2141 PolarHBondContact O-OD1 2.97Å; N2141-T2869 WeakPolarHBondContact CB-O 3.43Å; N2141-T2869 VanDerWaalsContact OD1-CB 3.3Å; N2141-T2869 WeakPolarHBondContact OD1-CB 3.49Å; N2141-T2869 PolarHBondContact OD1-O 3.17Å; N2141-T2869 VanDerWaalsContact OD1-O 3.11Å; N2141-T2869 PolarHBondContact OD1-OG1 3.06Å; N2141-T2870 HydrophobicContact CB-CG2 3.73Å; N2141-T2870 WeakPolarHBondContact O-CG2 3.37Å
2142	Q	27.5	Very low	26	Very low	138.4 Å²	138.4	127.2 Å²	127.2	65%	0.647	64%	0.639	S	S	*	*				101.9	159	79.5	-88.3	164.7	13.7	0	0	114.8	H1822 S1824 H2140 T2869 T2870	H1822-Q2142 WeakPolarHBondContact O-CA 3.46Å; H1822-Q2142 PolarHBondContact O-N 3.18Å; H1822-Q2142 VanDerWaalsContact O-N 3.15Å; S1824-Q2142 PolarHBondContact O-NE2 3.33Å; H2140-Q2142 PolarHBondContact CD2-NE2 2.83Å; H2140-Q2142 PolarHBondContact NE2-NE2 2.72Å; H2140-Q2142 VanDerWaalsContact NE2-NE2 3.17Å; Q2142-T2869 VanDerWaalsContact CD-O 3.31Å; Q2142-T2869 PolarHBondContact NE2-O 3.32Å; Q2142-T2869 VanDerWaalsContact NE2-O 3.14Å; Q2142-T2870 HydrophobicContact CB-CG2 3.38Å; Q2142-T2870 HydrophobicContact CG-CG2 3.83Å; Q2142-T2870 PolarHBondContact OE1-OG1 3.26Å
2143	M	25.3	Very low	25.9	Very low	128.4 Å²	128.4	124.3 Å²	124.3	63%	0.633	64%	0.636	S	S	*	*			trans	86.6	151.1	130.8	-75.5	-40.2	-153.4	0	0	116.1	T2870 C2873	M2143-T2870 HydrophobicContact CG-CG2 3.7Å; M2143-T2870 VanDerWaalsContact SD-CB 3.57Å; M2143-T2870 HydrophobicContact SD-CG2 4.14Å; M2143-T2870 PolarHBondContact SD-OG1 2.88Å; M2143-C2873 VanDerWaalsContact CB-CA 3.48Å; M2143-C2873 HydrophobicContact CB-CB 4.15Å; M2143-C2873 HydrophobicContact CG-CB 4.48Å
2144	D	26	Very low	25.8	Very low	112 Å²	112	124.8 Å²	124.8	60%	0.599	64%	0.635	S	S	*	*			cis	-176.5	150.9	34.9	-107	-17.1	0	0	0	116.6	C2873	D2144-C2873 PolarHBondContact OD2-SG 2.71Å
2145	I	27.4	Very low	25.9	Very low	123.6 Å²	123.6	123 Å²	123	63%	0.634	63%	0.629	S	S	*	*			trans	50.3	123.7	135.3	-70.4	162.1	0	0	0	115.8
2146	Y	23.7	Very low	26.3	Very low	207.6 Å²	207.6	124.9 Å²	124.9	81%	0.814	63%	0.634	S	S	*	*			trans	79.9	147.1	144.2	-76.7	-97.4	0	0	0	118.7
2147	S	25.3	Very low	26.4	Very low	88.2 Å²	88.2	128.7 Å²	128.7	62%	0.617	65%	0.645	S	S	*	*				164.3	146	51.3	-127.6	0	0	0	0	118
2148	H	25.9	Very low	26.5	Very low	149.4 Å²	149.4	128.1 Å²	128.1	69%	0.692	65%	0.649	S	S	*	*			trans	63.6	131.8	145.1	-74.3	-83.9	0	0	0	121.4
2149	H	26.6	Very low	26.5	Very low	144 Å²	144	131.6 Å²	131.6	67%	0.667	66%	0.658	S	S	*	*				85.8	115.4	118	-74.1	-76.7	0	0	0	116.9
2150	N	24	Very low	26.4	Very low	131.2 Å²	131.2	134.3 Å²	134.3	70%	0.702	67%	0.667	S	S	*	*				56.9	133	73.9	-140.2	8.2	0	0	0	114.7
2151	S	27	Very low	26.4	Very low	93.2 Å²	93.2	134.2 Å²	134.2	65%	0.652	68%	0.676	S	S	*	*				157	151.3	99.2	62.6	0	0	0	0	116.7
2152	N	25.6	Very low	26.3	Very low	118.2 Å²	118.2	134.8 Å²	134.8	63%	0.632	69%	0.687	S	S	*	*			trans	53.8	129.3	144.6	-69.7	-9.5	0	0	0	119.3
2153	N	26.4	Very low	26.2	Very low	107 Å²	107	137 Å²	137	57%	0.572	70%	0.697	S	S	*	*				107.5	125.4	111.8	-87.7	-17.2	0	0	0	118.4
2154	N	26.4	Very low	26.3	Very low	122.6 Å²	122.6	135.8 Å²	135.8	66%	0.656	70%	0.699	S	S	*	*				89	130.8	122.8	-85.6	-24.4	0	0	0	118.7
2155	V	27.7	Very low	26.3	Very low	98 Å²	98	135.7 Å²	135.7	59%	0.594	71%	0.707	S	S	*	*				172.7	133.3	101.7	160	0	0	0	0	113.5	R2157	V2155-R2157 PolarHBondContact O-N 2.69Å; V2155-R2157 VanDerWaalsContact O-N 3.1Å
2156	L	32.5	Very low	26.4	Very low	142.4 Å²	142.4	139 Å²	139	75%	0.746	72%	0.716	S	S	*	*				45.2	121.6	122.7	-65.6	167	0	0	0	116.8	S2158	L2156-S2158 PolarHBondContact O-N 3.44Å
2157	R	26.1	Very low	26.6	Very low	223.4 Å²	223.4	136.4 Å²	136.4	84%	0.843	72%	0.715	S	S	*	*			trans	-75.7	137.7	134.9	-90.5	174.2	174	158.1	-1.6	115.3	V2155 T2887	V2155-R2157 PolarHBondContact O-N 2.69Å; V2155-R2157 VanDerWaalsContact O-N 3.1Å; R2157-T2887 PolarHBondContact NH1-OG1 3.29Å
2158	S	25.7	Very low	26.6	Very low	91.4 Å²	91.4	137.5 Å²	137.5	64%	0.639	71%	0.713	S	S	*	*			trans	-127.5	133.8	133.9	161.1	0	0	0	0	114.6	L2156	L2156-S2158 PolarHBondContact O-N 3.44Å
2159	R	24.9	Very low	26.6	Very low	220.8 Å²	220.8	137.1 Å²	137.1	83%	0.833	71%	0.713	S	S	*	*				90.7	145.8	113.2	-86.4	176.9	179.7	-173	0.1	114.8
2160	H	25.3	Very low	26.6	Very low	157 Å²	157	136.7 Å²	136.7	73%	0.727	71%	0.713	S	S	*	*			trans	56	114.8	150	-61.9	-76.8	0	0	0	116.4
2161	T	27.5	Very low	26.6	Very low	130.6 Å²	130.6	137.3 Å²	137.3	80%	0.801	71%	0.714	S	S	*	*				-147.2	139.7	124.5	39.6	0	0	0	0	110
2162	S	26.2	Very low	26.5	Very low	104.4 Å²	104.4	138.2 Å²	138.2	73%	0.73	71%	0.711	S	S	*	*			trans	-126.3	141.5	158.8	45.6	0	0	0	0	111.9	I2168	S2162-I2168 VanDerWaalsContact OG-CD1 3.29Å; S2162-I2168 WeakPolarHBondContact OG-CD1 3.25Å
2163	E	24.7	Very low	26.5	Very low	184.2 Å²	184.2	139.9 Å²	139.9	86%	0.861	72%	0.717	S	S	*	*			trans	-76.1	156.9	159.6	-80.9	-172	147.6	0	0	111.8
2164	P	28	Very low	26.6	Very low	102.2 Å²	102.2	140.2 Å²	140.2	66%	0.664	72%	0.723	S	S	*	*				-115.1	160.2	82.7	25.2	-13.5	0	0	0	114.2	K2166 I2168	P2164-K2166 WeakPolarHBondContact O-CA 3.49Å; P2164-K2166 PolarHBondContact O-N 3.33Å; P2164-I2168 HydrophobicContact CG-CB 4.03Å; P2164-I2168 HydrophobicContact CG-CG1 3.4Å
2165	S	25.1	Very low	26.5	Very low	109.6 Å²	109.6	139.1 Å²	139.1	77%	0.766	72%	0.723	S	S	*	*			trans	-92.7	131	132.3	39.1	0	0	0	0	114.4	I2167	S2165-I2167 PolarHBondContact O-N 3.43Å
2166	K	29.2	Very low	26.3	Very low	193 Å²	193	142.6 Å²	142.6	84%	0.839	73%	0.727	S	S	*	*			trans	-101	122.8	165.4	-71.9	-179.5	179.7	176.8	0	113.4	P2164 I2168	P2164-K2166 WeakPolarHBondContact O-CA 3.49Å; P2164-K2166 PolarHBondContact O-N 3.33Å; K2166-I2168 PolarHBondContact O-N 3.27Å
2167	I	27.4	Very low	25.8	Very low	154.2 Å²	154.2	144.8 Å²	144.8	79%	0.791	73%	0.727	S	S	*	*			trans	-119.7	127.7	165.8	-48.5	176	0	0	0	108.3	S2165 M2169	S2165-I2167 PolarHBondContact O-N 3.43Å; I2167-M2169 PolarHBondContact O-N 2.71Å
2168	I	26.9	Very low	25.9	Very low	111.6 Å²	111.6	138.7 Å²	138.7	57%	0.572	72%	0.716	S	S	*	*			trans	-92.1	124.7	151.4	-57	167.1	0	0	0	108.3	S2162 P2164 K2166 M2170	S2162-I2168 VanDerWaalsContact OG-CD1 3.29Å; S2162-I2168 WeakPolarHBondContact OG-CD1 3.25Å; P2164-I2168 HydrophobicContact CG-CB 4.03Å; P2164-I2168 HydrophobicContact CG-CG1 3.4Å; K2166-I2168 PolarHBondContact O-N 3.27Å; I2168-M2170 HydrophobicContact CG2-CB 4.32Å; I2168-M2170 HydrophobicContact CG2-CE 3.93Å; I2168-M2170 HydrophobicContact CG2-CG 3.72Å; I2168-M2170 HydrophobicContact CG2-SD 3.68Å; I2168-M2170 PolarHBondContact O-N 2.92Å
2169	M	25.9	Very low	26	Very low	140 Å²	140	142.1 Å²	142.1	69%	0.69	72%	0.724	S	S	*	*			trans	-107.9	119.7	150.9	-78.4	-171.1	-72.4	0	0	110.1	R2132 I2167	R2132-M2169 PolarHBondContact NH2-SD 2.88Å; I2167-M2169 PolarHBondContact O-N 2.71Å
2170	M	25.5	Very low	26.1	Very low	136.4 Å²	136.4	134 Å²	134	67%	0.672	71%	0.709	S	S	*	*			trans	-98.3	147.4	172.8	-69.7	178.1	-114.3	0	0	111.8	I2168	I2168-M2170 HydrophobicContact CG2-CB 4.32Å; I2168-M2170 HydrophobicContact CG2-CE 3.93Å; I2168-M2170 HydrophobicContact CG2-CG 3.72Å; I2168-M2170 HydrophobicContact CG2-SD 3.68Å; I2168-M2170 PolarHBondContact O-N 2.92Å
2171	M	25.3	Very low	26.3	Very low	143.4 Å²	143.4	133.5 Å²	133.5	71%	0.706	71%	0.712	S	S	*	*			trans	-118.6	141.7	164.5	-106.8	173.7	136.3	0	0	109.8
2172	D	24.7	Very low	26.2	Very low	111.6 Å²	111.6	132.7 Å²	132.7	60%	0.597	71%	0.71	S	S	*	*			trans	-140.9	143.3	153.4	-87.6	-32.5	0	0	0	112.7	V2174 S2410	D2172-V2174 PolarHBondContact O-N 2.72Å; D2172-V2174 VanDerWaalsContact O-N 3.13Å; D2172-S2410 PolarHBondContact OD1-OG 3.24Å
2173	M	25.5	Very low	26.3	Very low	153.2 Å²	153.2	136.3 Å²	136.3	76%	0.755	71%	0.708	S	S	*	*				-145.7	112	130	-102.3	-155.4	135.9	0	0	112.8	M2029 C2175 Y2176	M2029-M2173 HydrophobicContact CE-CE 4.4Å; M2029-M2173 HydrophobicContact CE-SD 3.61Å; M2173-C2175 PolarHBondContact O-N 3.16Å; M2173-Y2176 HydrophobicContact CE-CE1 4.48Å; M2173-Y2176 VanDerWaalsContact CE-OH 3.25Å; M2173-Y2176 WeakPolarHBondContact CE-OH 3.39Å
2174	V	27.1	Very low	26.5	Very low	114.6 Å²	114.6	135.7 Å²	135.7	70%	0.695	70%	0.698	S	S	*	*			trans	-78.7	119.2	163	178.3	0	0	0	0	111.4	D2172 Y2176	D2172-V2174 PolarHBondContact O-N 2.72Å; D2172-V2174 VanDerWaalsContact O-N 3.13Å; V2174-Y2176 HydrophobicContact CG1-CD2 3.75Å; V2174-Y2176 HydrophobicContact CG1-CE2 4.01Å; V2174-Y2176 WeakPolarHBondContact O-CE2 3.27Å; V2174-Y2176 PolarHBondContact O-N 3.28Å
2175	C	24.2	Very low	26.5	Very low	99.6 Å²	99.6	136.2 Å²	136.2	67%	0.673	70%	0.702	S	S	*	*			trans	-92.4	135.8	163.9	-70.3	0	0	0	0	111.8	M2173 Y2177	M2173-C2175 PolarHBondContact O-N 3.16Å; C2175-Y2177 PolarHBondContact O-N 3.37Å
2176	Y	23.4	Very low	26.7	Very low	172 Å²	172	138 Å²	138	68%	0.675	70%	0.698	S	S	*	*			trans	-115.7	132.6	160.1	-92.3	-94.3	0	0	0	113.1	M2173 V2174 C2413 C2414 M2415	M2173-Y2176 HydrophobicContact CE-CE1 4.48Å; M2173-Y2176 VanDerWaalsContact CE-OH 3.25Å; M2173-Y2176 WeakPolarHBondContact CE-OH 3.39Å; V2174-Y2176 HydrophobicContact CG1-CD2 3.75Å; V2174-Y2176 HydrophobicContact CG1-CE2 4.01Å; V2174-Y2176 WeakPolarHBondContact O-CE2 3.27Å; V2174-Y2176 PolarHBondContact O-N 3.28Å; Y2176-C2413 VanDerWaalsContact CD2-CA 3.44Å; Y2176-C2414 HydrophobicContact CD2-CB 3.47Å; Y2176-C2414 VanDerWaalsContact CD2-CB 3.47Å; Y2176-C2414 HydrophobicContact CG-CB 3.55Å; Y2176-M2415 CarbonylContact C-O 3.52Å; Y2176-M2415 WeakPolarHBondContact CA-O 3.34Å; Y2176-M2415 WeakPolarHBondContact CB-O 3.44Å; Y2176-M2415 HydrophobicContact CD1-CB 3.57Å; Y2176-M2415 HydrophobicContact CD1-CG 3.76Å; Y2176-M2415 HydrophobicContact CD1-SD 3.87Å; Y2176-M2415 HydrophobicContact CE1-SD 4.31Å; Y2176-M2415 HydrophobicContact CG-CB 3.99Å; Y2176-M2415 HydrophobicContact CG-CG 4.46Å
2177	Y	22.5	Very low	26.6	Very low	187.4 Å²	187.4	133.2 Å²	133.2	74%	0.735	69%	0.689	S	S	*	*				-89.3	148.7	128	-106.9	-86.9	0	0	0	112.8	C2175 M2179 C2414 M2415 T2416	C2175-Y2177 PolarHBondContact O-N 3.37Å; Y2177-M2179 VanDerWaalsContact C-N 3.26Å; Y2177-M2179 HydrophobicContact CD1-CG 4.16Å; Y2177-M2179 HydrophobicContact CE1-CE 4.43Å; Y2177-M2179 HydrophobicContact CE1-CG 3.83Å; Y2177-M2179 PolarHBondContact O-N 2.88Å; Y2177-C2414 WeakPolarHBondContact CB-SG 3.4Å; Y2177-C2414 HydrophobicContact CG-CB 4.38Å; Y2177-M2415 PolarHBondContact N-O 3.24Å; Y2177-M2415 VanDerWaalsContact N-O 3.13Å; Y2177-M2415 CarbonylContact O-C 3.51Å; Y2177-M2415 WeakPolarHBondContact O-CA 3.43Å; Y2177-M2415 PolarHBondContact O-N 3.39Å; Y2177-M2415 VanDerWaalsContact O-N 3.16Å; Y2177-T2416 WeakPolarHBondContact O-CA 3.46Å; Y2177-T2416 WeakPolarHBondContact O-CB 3.02Å; Y2177-T2416 PolarHBondContact O-N 3.06Å; Y2177-T2416 PolarHBondContact O-OG1 2.72Å
2178	P	28.2	Very low	26.5	Very low	95 Å²	95	133.7 Å²	133.7	62%	0.617	69%	0.688	S	S	*	*				-108.7	148.3	86.9	30.6	-20.6	0	0	0	115.1	G2117 G2180	G2117-P2178 WeakPolarHBondContact O-CD 3.35Å; G2117-P2178 WeakPolarHBondContact O-CG 3.1Å; P2178-G2180 PolarHBondContact O-N 3.36Å
2179	M	28.8	Very low	26.7	Very low	162.4 Å²	162.4	132.9 Å²	132.9	80%	0.8	69%	0.69	S	S	*	*			trans	-85	132.4	152.5	-79.6	-148.5	170.2	0	0	111.2	Y2177 N2181	Y2177-M2179 VanDerWaalsContact C-N 3.26Å; Y2177-M2179 HydrophobicContact CD1-CG 4.16Å; Y2177-M2179 HydrophobicContact CE1-CE 4.43Å; Y2177-M2179 HydrophobicContact CE1-CG 3.83Å; Y2177-M2179 PolarHBondContact O-N 2.88Å; M2179-N2181 PolarHBondContact O-N 3.43Å
2180	G	26.8	Very low	26.6	Very low	51.8 Å²	51.8	132.9 Å²	132.9	53%	0.534	69%	0.693	S	S	.	*			trans	-143.2	127.2	-178.2	0	0	0	0	0	113.2	P2178	P2178-G2180 PolarHBondContact O-N 3.36Å
2181	N	29	Very low	26.8	Very low	146.4 Å²	146.4	133.7 Å²	133.7	78%	0.783	70%	0.699	S	S	*	*			trans	96.7	108.1	163.5	-79.1	-27.4	0	0	0	117.5	M2179 R2183	M2179-N2181 PolarHBondContact O-N 3.43Å; N2181-R2183 PolarHBondContact O-N 3.04Å
2182	C	26.3	Very low	26.8	Very low	113.4 Å²	113.4	133.4 Å²	133.4	77%	0.766	69%	0.694	S	S	*	*			trans	-160.4	118.8	132.9	-150.8	0	0	0	0	113
2183	R	28.2	Very low	26.7	Very low	180.2 Å²	180.2	136.1 Å²	136.1	68%	0.68	70%	0.701	S	S	*	*			trans	-157.8	121.7	133.7	-88.1	-176.7	172.3	-179.4	0.6	112	W1948 E2109 D2110 N2181	W1948-R2183 VanDerWaalsContact CZ3-NH2 3.34Å; E2109-R2183 PolarHBondContact O-NH1 3.35Å; D2110-R2183 IonicContact OD1-CZ 3.44Å; D2110-R2183 IonicContact OD1-NH1 3.95Å; D2110-R2183 PolarHBondContact OD1-NH1 2.76Å; D2110-R2183 IonicContact OD1-NH2 3.94Å; D2110-R2183 IonicContact OD2-CZ 2.75Å; D2110-R2183 IonicContact OD2-NH1 2.64Å; D2110-R2183 PolarHBondContact OD2-NH1 2.91Å; D2110-R2183 IonicContact OD2-NH2 3.73Å; D2110-R2183 PolarHBondContact OD2-NH2 2.89Å; N2181-R2183 PolarHBondContact O-N 3.04Å
2184	R	27.8	Very low	26.6	Very low	172.6 Å²	172.6	137.6 Å²	137.6	65%	0.651	70%	0.699	S	S	*	*			trans	49.4	106.8	149.4	-101.4	178	171.1	163.3	1.5	117	H1947 W1948 F2107 H2186	H1947-R2184 VanDerWaalsContact NE2-CB 3.33Å; H1947-R2184 WeakPolarHBondContact NE2-CB 3.22Å; H1947-R2184 PolarHBondContact NE2-N 3.34Å; W1948-R2184 VanDerWaalsContact NE1-NH1 3.15Å; F2107-R2184 PolarHBondContact O-NH2 3.08Å; R2184-H2186 PolarHBondContact NE-NE2 3.49Å
2185	C	29.4	Very low	26.5	Very low	111.2 Å²	111.2	137.9 Å²	137.9	75%	0.751	70%	0.701	S	S	*	*				-156.8	135.6	100	-91.3	0	0	0	0	113.6
2186	H	28.4	Very low	26.5	Very low	147.2 Å²	147.2	140.1 Å²	140.1	68%	0.681	71%	0.706	S	S	*	*			trans	-85.4	139.3	167.1	-79.5	-83.5	0	0	0	115.5	R2184	R2184-H2186 PolarHBondContact NE-NE2 3.49Å
2187	S	28.2	Very low	26.6	Very low	93.4 Å²	93.4	136.9 Å²	136.9	65%	0.653	71%	0.709	S	S	*	*			trans	101	127.4	150.7	52.3	0	0	0	0	116.7
2188	H	25.3	Very low	26.8	Very low	163.8 Å²	163.8	135.2 Å²	135.2	76%	0.758	71%	0.712	S	S	*	*			trans	-125.3	163.1	136.8	-84.8	-76.8	0	0	0	110.6
2189	P	30.2	Very low	26.7	Very low	94.8 Å²	94.8	136.9 Å²	136.9	62%	0.616	72%	0.715	S	S	*	*				-114.2	169.3	115.4	38.9	-30.4	0	0	0	114.2
2190	N	24.7	Very low	26.6	Very low	140.8 Å²	140.8	133.3 Å²	133.3	75%	0.753	71%	0.706	S	S	*	*			trans	101	111	157.3	-71.5	-37.1	0	0	0	115.2	S2072	S2072-N2190 CarbonylContact O-C 3.13Å; S2072-N2190 WeakPolarHBondContact O-CA 3.18Å
2191	L	28.3	Very low	26.5	Very low	153.4 Å²	153.4	137.9 Å²	137.9	80%	0.803	71%	0.714	S	S	*	*				-145.9	124.5	124.2	-100.1	165	0	0	0	111.4	K2071 S2072 F2193	K2071-L2191 CarbonylContact C-O 2.93Å; K2071-L2191 WeakPolarHBondContact CA-O 3.49Å; K2071-L2191 PolarHBondContact N-O 3.02Å; K2071-L2191 PolarHBondContact O-N 3.21Å; K2071-L2191 VanDerWaalsContact O-N 3.08Å; S2072-L2191 VanDerWaalsContact N-C 3.34Å; S2072-L2191 PolarHBondContact N-O 3.05Å; S2072-L2191 CarbonylContact O-C 3.2Å; S2072-L2191 PolarHBondContact O-N 2.91Å; L2191-F2193 HydrophobicContact CB-CD2 4.5Å; L2191-F2193 HydrophobicContact CB-CE2 4.13Å; L2191-F2193 HydrophobicContact CD1-CE2 3.97Å; L2191-F2193 HydrophobicContact CD1-CZ 4.26Å; L2191-F2193 HydrophobicContact CD2-CE2 3.95Å; L2191-F2193 HydrophobicContact CD2-CZ 3.86Å; L2191-F2193 HydrophobicContact CG-CE2 4.24Å; L2191-F2193 PolarHBondContact O-N 3.36Å
2192	K	25.3	Very low	26.2	Very low	136.4 Å²	136.4	136.4 Å²	136.4	59%	0.593	71%	0.709	S	S	*	*			trans	-90.9	141.4	-179.3	-90.2	-176.4	-179	168.9	0	111.2	S1972 S2072 L2073 S2075 Y2194	S1972-K2192 PolarHBondContact O-NZ 3.17Å; S2072-K2192 PolarHBondContact O-N 2.64Å; L2073-K2192 VanDerWaalsContact CD2-NZ 3.26Å; S2075-K2192 VanDerWaalsContact CA-NZ 3.26Å; K2192-Y2194 HydrophobicContact CD-CE2 4.46Å; K2192-Y2194 PolarHBondContact O-N 3.15Å
2193	F	23.9	Very low	26.1	Very low	168.4 Å²	168.4	139.8 Å²	139.8	74%	0.739	71%	0.706	S	S	*	*			trans	-88.6	123.3	160.1	-69.4	-68.5	0	0	0	112	K2071 L2191 T2195	K2071-F2193 HydrophobicContact CB-CD2 4.42Å; K2071-F2193 HydrophobicContact CB-CE2 4.08Å; K2071-F2193 HydrophobicContact CD-CD2 4.05Å; K2071-F2193 HydrophobicContact CD-CE2 3.74Å; K2071-F2193 HydrophobicContact CG-CD2 3.73Å; K2071-F2193 HydrophobicContact CG-CE2 3.71Å; L2191-F2193 HydrophobicContact CB-CD2 4.5Å; L2191-F2193 HydrophobicContact CB-CE2 4.13Å; L2191-F2193 HydrophobicContact CD1-CE2 3.97Å; L2191-F2193 HydrophobicContact CD1-CZ 4.26Å; L2191-F2193 HydrophobicContact CD2-CE2 3.95Å; L2191-F2193 HydrophobicContact CD2-CZ 3.86Å; L2191-F2193 HydrophobicContact CG-CE2 4.24Å; L2191-F2193 PolarHBondContact O-N 3.36Å; F2193-T2195 PolarHBondContact O-N 3.09Å
2194	Y	21.9	Very low	25.8	Very low	184 Å²	184	138.5 Å²	138.5	72%	0.722	71%	0.711	S	S	*	*			trans	-103.9	118.8	153.4	-92.9	-80.1	0	0	0	108.5	K2192 N2196	K2192-Y2194 HydrophobicContact CD-CE2 4.46Å; K2192-Y2194 PolarHBondContact O-N 3.15Å; Y2194-N2196 VanDerWaalsContact C-N 3.27Å; Y2194-N2196 PolarHBondContact O-N 3.48Å; Y2194-N2196 VanDerWaalsContact O-N 3.16Å
2195	T	25.1	Very low	25.6	Very low	121 Å²	121	135.4 Å²	135.4	74%	0.742	71%	0.711	S	S	*	*			trans	-135.1	119.5	142.1	51	0	0	0	0	110.9	F2193 S2197	F2193-T2195 PolarHBondContact O-N 3.09Å; T2195-S2197 PolarHBondContact O-N 3.05Å
2196	N	25.5	Very low	25.4	Very low	145.8 Å²	145.8	139.2 Å²	139.2	78%	0.78	71%	0.71	S	S	*	*			trans	-78.1	139.1	171.2	-72.4	-22.3	0	0	0	112.3	Y2194 L2198	Y2194-N2196 VanDerWaalsContact C-N 3.27Å; Y2194-N2196 PolarHBondContact O-N 3.48Å; Y2194-N2196 VanDerWaalsContact O-N 3.16Å; N2196-L2198 PolarHBondContact O-N 3.06Å
2197	S	24.5	Very low	25.2	Very low	104.8 Å²	104.8	140.1 Å²	140.1	73%	0.733	72%	0.715	S	S	*	*			trans	-114.6	125.3	156.2	-66.3	0	0	0	0	111.3	T2195 L2199	T2195-S2197 PolarHBondContact O-N 3.05Å; S2197-L2199 PolarHBondContact O-N 3.26Å
2198	L	26.9	Very low	25	Very low	151.6 Å²	151.6	141.2 Å²	141.2	79%	0.794	71%	0.713	S	S	*	*			trans	-129.5	126	152.3	-74	174.3	0	0	0	110.6	N2196 S2200	N2196-L2198 PolarHBondContact O-N 3.06Å; L2198-S2200 VanDerWaalsContact C-N 3.31Å; L2198-S2200 PolarHBondContact O-N 3.05Å; L2198-S2200 VanDerWaalsContact O-N 3.09Å
2199	L	26	Very low	25	Very low	130.8 Å²	130.8	139.6 Å²	139.6	69%	0.685	71%	0.71	S	S	*	*			trans	-118.2	129.9	151.2	-96.5	169.3	0	0	0	112.9	N2079 S2197 E2201	N2079-L2199 WeakPolarHBondContact O-CD1 3.19Å; S2197-L2199 PolarHBondContact O-N 3.26Å; L2199-E2201 PolarHBondContact O-N 2.92Å
2200	S	25.8	Very low	24.9	Very low	87.4 Å²	87.4	141.2 Å²	141.2	61%	0.611	71%	0.713	S	S	*	*			trans	-111.5	135.3	161.2	58.1	0	0	0	0	113.2	L2198 V2202	L2198-S2200 VanDerWaalsContact C-N 3.31Å; L2198-S2200 PolarHBondContact O-N 3.05Å; L2198-S2200 VanDerWaalsContact O-N 3.09Å; S2200-V2202 PolarHBondContact O-N 2.72Å
2201	E	24.7	Very low	24.9	Very low	149 Å²	149	139.9 Å²	139.9	70%	0.696	71%	0.707	S	S	*	*			trans	-64.8	153.1	176.4	-120.7	-178.1	140.2	0	0	114.8	L2199 R2203	L2199-E2201 PolarHBondContact O-N 2.92Å; E2201-R2203 VanDerWaalsContact C-N 3.29Å; E2201-R2203 HydrophobicContact CG-CG 4.38Å; E2201-R2203 PolarHBondContact O-N 3.26Å; E2201-R2203 IonicContact OE1-CZ 2.66Å; E2201-R2203 IonicContact OE1-NE 2.62Å; E2201-R2203 IonicContact OE1-NH2 3.82Å; E2201-R2203 PolarHBondContact OE1-NH2 3.28Å; E2201-R2203 IonicContact OE2-CZ 2.68Å; E2201-R2203 IonicContact OE2-NE 3.52Å; E2201-R2203 IonicContact OE2-NH2 3.51Å; E2201-R2203 PolarHBondContact OE2-NH2 3.25Å
2202	V	24.1	Very low	24.9	Very low	113.8 Å²	113.8	137.8 Å²	137.8	69%	0.69	70%	0.7	S	S	*	*			trans	-158.6	126.3	130.3	-178.2	0	0	0	0	111.6	S2200 I2204 T3011	S2200-V2202 PolarHBondContact O-N 2.72Å; V2202-I2204 VanDerWaalsContact C-N 3.34Å; V2202-I2204 HydrophobicContact CG1-CG1 4.2Å; V2202-I2204 PolarHBondContact O-N 2.73Å; V2202-T3011 HydrophobicContact CG1-CG2 3.93Å
2203	R	23.7	Very low	24.8	Very low	186 Å²	186	137 Å²	137	70%	0.702	71%	0.707	S	S	*	*			trans	-67.5	137	158.5	-77.2	167.1	-159	151.8	5	112.8	E2201 T2205 S3010 T3011	E2201-R2203 VanDerWaalsContact C-N 3.29Å; E2201-R2203 HydrophobicContact CG-CG 4.38Å; E2201-R2203 PolarHBondContact O-N 3.26Å; E2201-R2203 IonicContact OE1-CZ 2.66Å; E2201-R2203 IonicContact OE1-NE 2.62Å; E2201-R2203 IonicContact OE1-NH2 3.82Å; E2201-R2203 PolarHBondContact OE1-NH2 3.28Å; E2201-R2203 IonicContact OE2-CZ 2.68Å; E2201-R2203 IonicContact OE2-NE 3.52Å; E2201-R2203 IonicContact OE2-NH2 3.51Å; E2201-R2203 PolarHBondContact OE2-NH2 3.25Å; R2203-T2205 PolarHBondContact O-N 2.79Å; R2203-S3010 PolarHBondContact NH2-OG 2.86Å; R2203-T3011 VanDerWaalsContact NH1-CG2 3.26Å; R2203-T3011 PolarHBondContact NH1-OG1 2.71Å
2204	I	22.4	Very low	24.8	Very low	152.8 Å²	152.8	134.5 Å²	134.5	78%	0.784	71%	0.706	S	S	*	*			trans	-89.2	118.7	158.7	-57.7	174.8	0	0	0	108.5	V2202 R2206	V2202-I2204 VanDerWaalsContact C-N 3.34Å; V2202-I2204 HydrophobicContact CG1-CG1 4.2Å; V2202-I2204 PolarHBondContact O-N 2.73Å; I2204-R2206 HydrophobicContact CG2-CB 4.15Å; I2204-R2206 PolarHBondContact O-N 2.78Å
2205	T	23.2	Very low	24.9	Very low	106.2 Å²	106.2	132.8 Å²	132.8	65%	0.652	71%	0.708	S	S	*	*			trans	-104.4	129.4	165.3	12.5	0	0	0	0	109.8	R2203 E2207 R3012	R2203-T2205 PolarHBondContact O-N 2.79Å; T2205-E2207 PolarHBondContact O-N 2.97Å; T2205-R3012 PolarHBondContact OG1-NH1 2.8Å; T2205-R3012 PolarHBondContact OG1-NH2 2.57Å
2206	R	24.6	Very low	24.8	Very low	191.4 Å²	191.4	134.1 Å²	134.1	72%	0.722	71%	0.708	S	S	*	*			trans	-113.2	112.2	179.5	-138	177.9	155.6	-176.8	-7.6	110.6	I2204 D2208 D2209	I2204-R2206 HydrophobicContact CG2-CB 4.15Å; I2204-R2206 PolarHBondContact O-N 2.78Å; R2206-D2208 VanDerWaalsContact C-N 3.25Å; R2206-D2208 WeakPolarHBondContact CD-OD2 3.48Å; R2206-D2208 WeakPolarHBondContact CG-OD1 3.24Å; R2206-D2208 IonicContact CZ-OD1 3.69Å; R2206-D2208 IonicContact CZ-OD2 2.75Å; R2206-D2208 IonicContact NE-OD1 3.56Å; R2206-D2208 PolarHBondContact NE-OD1 3.34Å; R2206-D2208 IonicContact NE-OD2 2.98Å; R2206-D2208 PolarHBondContact NE-OD2 3.02Å; R2206-D2208 VanDerWaalsContact NH2-CG 3.35Å; R2206-D2208 IonicContact NH2-OD1 3.96Å; R2206-D2208 PolarHBondContact NH2-OD1 3.04Å; R2206-D2208 VanDerWaalsContact NH2-OD1 3.09Å; R2206-D2208 IonicContact NH2-OD2 3.4Å; R2206-D2208 PolarHBondContact NH2-OD2 2.94Å; R2206-D2208 VanDerWaalsContact NH2-OD2 3.14Å; R2206-D2208 PolarHBondContact O-N 3.12Å; R2206-D2208 VanDerWaalsContact O-N 3.09Å; R2206-D2209 IonicContact CZ-OD2 2.69Å; R2206-D2209 IonicContact NE-OD2 3.1Å; R2206-D2209 IonicContact NH2-OD2 3.54Å; R2206-D2209 PolarHBondContact NH2-OD2 3.27Å
2207	E	24.2	Very low	24.8	Very low	166.6 Å²	166.6	132.6 Å²	132.6	78%	0.779	71%	0.705	S	S	*	*			trans	-109.1	134.9	143.7	-78.7	175.8	173.4	0	0	106.2	T2205 D2209	T2205-E2207 PolarHBondContact O-N 2.97Å; E2207-D2209 PolarHBondContact O-N 3.35Å
2208	D	23.6	Very low	24.7	Very low	117.4 Å²	117.4	136.2 Å²	136.2	63%	0.628	71%	0.71	S	S	*	*			trans	-116.5	113.8	145.3	-79	-21.4	0	0	0	111	R2206	R2206-D2208 VanDerWaalsContact C-N 3.25Å; R2206-D2208 WeakPolarHBondContact CD-OD2 3.48Å; R2206-D2208 WeakPolarHBondContact CG-OD1 3.24Å; R2206-D2208 IonicContact CZ-OD1 3.69Å; R2206-D2208 IonicContact CZ-OD2 2.75Å; R2206-D2208 IonicContact NE-OD1 3.56Å; R2206-D2208 PolarHBondContact NE-OD1 3.34Å; R2206-D2208 IonicContact NE-OD2 2.98Å; R2206-D2208 PolarHBondContact NE-OD2 3.02Å; R2206-D2208 VanDerWaalsContact NH2-CG 3.35Å; R2206-D2208 IonicContact NH2-OD1 3.96Å; R2206-D2208 PolarHBondContact NH2-OD1 3.04Å; R2206-D2208 VanDerWaalsContact NH2-OD1 3.09Å; R2206-D2208 IonicContact NH2-OD2 3.4Å; R2206-D2208 PolarHBondContact NH2-OD2 2.94Å; R2206-D2208 VanDerWaalsContact NH2-OD2 3.14Å; R2206-D2208 PolarHBondContact O-N 3.12Å; R2206-D2208 VanDerWaalsContact O-N 3.09Å
2209	D	26.1	Very low	24.7	Very low	129.8 Å²	129.8	134.4 Å²	134.4	69%	0.694	71%	0.707	S	S	*	*			trans	-139.2	134.3	167.1	-111.4	-31.2	0	0	0	114.3	R2206 E2207	R2206-D2209 IonicContact CZ-OD2 2.69Å; R2206-D2209 IonicContact NE-OD2 3.1Å; R2206-D2209 IonicContact NH2-OD2 3.54Å; R2206-D2209 PolarHBondContact NH2-OD2 3.27Å; E2207-D2209 PolarHBondContact O-N 3.35Å
2210	N	27.3	Very low	24.5	Very low	127.2 Å²	127.2	132.6 Å²	132.6	68%	0.68	71%	0.712	S	S	*	*			trans	7.4	130.9	165.1	-65.4	-61	0	0	0	118.5
2211	D	25.6	Very low	24.5	Very low	114.8 Å²	114.8	136.9 Å²	136.9	61%	0.614	73%	0.727	S	S	*	*				-163.7	159.3	114.5	-113.2	-37.3	0	0	0	116	N1827 R1828	N1827-D2211 WeakPolarHBondContact CB-O 3.44Å; N1827-D2211 PolarHBondContact ND2-O 3.24Å; N1827-D2211 PolarHBondContact OD1-O 3.48Å; R1828-D2211 HydrophobicContact CB-CB 4.44Å; R1828-D2211 WeakPolarHBondContact CB-O 3.47Å; R1828-D2211 VanDerWaalsContact CZ-CB 3.41Å; R1828-D2211 IonicContact CZ-OD2 3.38Å; R1828-D2211 PolarHBondContact N-O 3.37Å; R1828-D2211 IonicContact NE-OD2 3.52Å; R1828-D2211 VanDerWaalsContact NH1-CB 3.31Å; R1828-D2211 VanDerWaalsContact NH1-CG 3.34Å; R1828-D2211 IonicContact NH1-OD2 2.72Å; R1828-D2211 PolarHBondContact NH1-OD2 3.12Å; R1828-D2211 IonicContact NH2-OD1 3.64Å; R1828-D2211 IonicContact NH2-OD2 2.71Å; R1828-D2211 PolarHBondContact NH2-OD2 3.33Å
2212	T	27.4	Very low	24.5	Very low	108.2 Å²	108.2	133.2 Å²	133.2	66%	0.664	73%	0.728	S	S	*	*			trans	45.8	132.6	168.2	59.7	0	0	0	0	120.1	N1827 R1828	N1827-T2212 WeakPolarHBondContact OD1-CA 3.24Å; R1828-T2212 VanDerWaalsContact CB-C 3.46Å; R1828-T2212 WeakPolarHBondContact CB-O 2.99Å; R1828-T2212 WeakPolarHBondContact CD-O 3.42Å; R1828-T2212 WeakPolarHBondContact CG-O 3.47Å; R1828-T2212 PolarHBondContact NE-O 3.15Å; R1828-T2212 PolarHBondContact NH2-OG1 2.99Å
2213	T	25	Very low	24.4	Very low	119 Å²	119	133.3 Å²	133.3	73%	0.73	73%	0.734	S	S	*	*			trans	106.1	123.3	146.2	32.6	0	0	0	0	117.9	H1826 N1827 R1828	H1826-T2213 PolarHBondContact ND1-OG1 3.37Å; H1826-T2213 VanDerWaalsContact ND1-OG1 3.14Å; N1827-T2213 CarbonylContact O-C 3.52Å; R1828-T2213 VanDerWaalsContact CA-O 3.31Å; R1828-T2213 WeakPolarHBondContact CA-O 3.14Å
2214	T	23.5	Very low	24.7	Very low	117.4 Å²	117.4	129.7 Å²	129.7	72%	0.72	74%	0.735	S	S	*	*			trans	-72.6	134.7	158.2	33	0	0	0	0	116.5	N1827 K1829 I2216	N1827-T2214 WeakPolarHBondContact O-CA 3.23Å; N1827-T2214 VanDerWaalsContact O-CG2 3.23Å; N1827-T2214 WeakPolarHBondContact O-CG2 3.15Å; N1827-T2214 PolarHBondContact O-N 3.48Å; N1827-T2214 VanDerWaalsContact O-N 3.12Å; K1829-T2214 WeakPolarHBondContact CE-O 3.29Å; T2214-I2216 PolarHBondContact O-N 2.92Å
2215	I	22.5	Very low	24.7	Very low	148.8 Å²	148.8	128.7 Å²	128.7	76%	0.763	74%	0.736	S	S	*	*			trans	-74.5	118.5	155.3	-60	173.5	0	0	0	110.8	K1829 T2217	K1829-I2215 HydrophobicContact CG-CG1 4.28Å; I2215-T2217 HydrophobicContact CG2-CG2 4.38Å
2216	I	24.2	Very low	24.7	Very low	146.4 Å²	146.4	127.6 Å²	127.6	75%	0.751	73%	0.733	S	S	*	*			trans	172.9	124.4	134.1	-65.5	171.8	0	0	0	110.7	T2214	T2214-I2216 PolarHBondContact O-N 2.92Å
2217	T	24.6	Very low	24.7	Very low	115.6 Å²	115.6	126.6 Å²	126.6	71%	0.709	74%	0.736	S	S	*	*			trans	-108.5	156.6	149.8	31.2	0	0	0	0	112.4	I2215	I2215-T2217 HydrophobicContact CG2-CG2 4.38Å
2218	Q	23.7	Very low	24.7	Very low	179.4 Å²	179.4	129.7 Å²	129.7	84%	0.838	74%	0.74	S	S	*	*			trans	-148.7	169	140.2	-80.4	174.5	-11	0	0	113
2219	P	26.2	Very low	24.6	Very low	113.6 Å²	113.6	128.7 Å²	128.7	74%	0.738	74%	0.743	S	S	*	*			trans	-122.6	172.2	-148.8	40.5	-28	0	0	0	113.5	L2221	P2219-L2221 PolarHBondContact O-N 3.07Å
2220	A	22.5	Very low	24.6	Very low	94.6 Å²	94.6	127.2 Å²	127.2	78%	0.782	74%	0.742	S	S	*	*			trans	-124	128.4	155.8	0	0	0	0	0	113.1	G2222	A2220-G2222 WeakPolarHBondContact O-CA 2.9Å; A2220-G2222 PolarHBondContact O-N 3.15Å; A2220-G2222 VanDerWaalsContact O-N 3.15Å
2221	L	24.7	Very low	24.6	Very low	176.8 Å²	176.8	127.4 Å²	127.4	93%	0.926	74%	0.742	S	S	*	*			trans	-88.3	131	169.5	-73	117.9	0	0	0	111.2	P2219	P2219-L2221 PolarHBondContact O-N 3.07Å
2222	G	25.3	Very low	24.8	Very low	71.2 Å²	71.2	129.4 Å²	129.4	73%	0.734	75%	0.748	S	S	*	*			trans	-164.4	129	-169.8	0	0	0	0	0	113.8	A2220	A2220-G2222 WeakPolarHBondContact O-CA 2.9Å; A2220-G2222 PolarHBondContact O-N 3.15Å; A2220-G2222 VanDerWaalsContact O-N 3.15Å
2223	S	22.3	Very low	25	Very low	116.2 Å²	116.2	129.2 Å²	129.2	81%	0.813	74%	0.74	S	S	*	*			trans	-46.1	165.4	168	-68.8	0	0	0	0	113.9
2224	P	28.8	Very low	25.2	Very low	111 Å²	111	128.6 Å²	128.6	72%	0.721	73%	0.729	S	S	*	*				-115.2	-174.4	-55	32.6	-20.2	0	0	0	114.7
2225	V	23.5	Very low	25.4	Very low	130.6 Å²	130.6	126.7 Å²	126.7	79%	0.792	72%	0.72	S	S	*	*			trans	-83.3	126.7	159.8	170.4	0	0	0	0	114.3
2226	S	23.1	Very low	25.7	Very low	84.2 Å²	84.2	125.2 Å²	125.2	59%	0.589	71%	0.714	S	S	*	*				134.5	142	109	-108	0	0	0	0	115.6
2227	H	25.1	Very low	25.8	Very low	170.4 Å²	170.4	123.2 Å²	123.2	79%	0.789	71%	0.705	S	S	*	*			trans	77.3	138.3	155.8	-64.4	-55.2	0	0	0	117.2
2228	R	23	Very low	25.9	Very low	231 Å²	231	125.4 Å²	125.4	87%	0.872	70%	0.701	S	S	*	*				-158.4	151.8	96.7	-111.1	-177.9	173.7	173.2	-3	112.8
2229	S	22.9	Very low	26.1	Very low	97.4 Å²	97.4	123.3 Å²	123.3	68%	0.681	70%	0.695	S	S	*	*				146.5	152.9	72.5	47.6	0	0	0	0	113.8
2230	S	25.3	Very low	26.2	Very low	98.2 Å²	98.2	123.4 Å²	123.4	69%	0.687	69%	0.693	S	S	*	*			trans	87.7	134.1	151.8	65.6	0	0	0	0	116.8
2231	L	28.1	Very low	26.5	Very low	129.6 Å²	129.6	126.6 Å²	126.6	68%	0.679	69%	0.689	S	S	*	*				53.6	136.9	117	-70.1	128.7	0	0	0	112.9
2232	E	28.8	Very low	26.6	Very low	158.2 Å²	158.2	123.9 Å²	123.9	74%	0.739	68%	0.68	S	S	*	*				110.5	123.6	64.9	-94.4	164.3	-172.7	0	0	110.6	N2248	E2232-N2248 VanDerWaalsContact CD-ND2 3.33Å; E2232-N2248 PolarHBondContact OE2-ND2 3.41Å
2233	E	31	Very low	26.7	Very low	103.6 Å²	103.6	125 Å²	125	48%	0.484	68%	0.676	S	S	.	*				-131.4	147.3	111.9	-97.1	177.3	169.8	0	0	115.7	D2245 L2246 L2247 N2248	E2233-D2245 WeakPolarHBondContact CA-O 3.39Å; E2233-L2246 VanDerWaalsContact OE1-C 3.26Å; E2233-L2246 VanDerWaalsContact OE1-CB 3.3Å; E2233-L2246 WeakPolarHBondContact OE1-CB 3Å; E2233-L2247 PolarHBondContact OE1-N 3.28Å; E2233-N2248 HydrophobicContact CG-CB 4.38Å; E2233-N2248 VanDerWaalsContact OE2-CB 3.28Å; E2233-N2248 WeakPolarHBondContact OE2-CB 3Å; E2233-N2248 PolarHBondContact OE2-N 2.72Å; E2233-N2248 PolarHBondContact OE2-ND2 2.84Å
2234	Q	30.4	Very low	26.8	Very low	106.8 Å²	106.8	123 Å²	123	50%	0.499	67%	0.667	S	S	.	*				93.1	133.4	92.3	-90.5	176.3	47.2	0	0	115.4	D1496 A2244	D1496-Q2234 WeakPolarHBondContact OD1-CB 3.19Å; Q2234-A2244 CarbonylContact C-O 2.92Å
2235	S	28.3	Very low	26.8	Very low	77.6 Å²	77.6	124 Å²	124	54%	0.543	67%	0.666	S	S	.	*				95.2	157.7	95.7	37.7	0	0	0	0	115.3	K1494 S2243 A2244	K1494-S2235 WeakPolarHBondContact CB-OG 3.27Å; S2235-S2243 CarbonylContact O-C 3.02Å; S2235-A2244 PolarHBondContact N-O 2.73Å; S2235-A2244 PolarHBondContact O-N 2.69Å
2236	D	27	Very low	26.9	Very low	117.6 Å²	117.6	124.6 Å²	124.6	63%	0.629	66%	0.664	S	S	*	*				-116.2	163.3	68.9	-65	-64.9	0	0	0	111	K1494 P2265	K1494-D2236 PolarHBondContact NZ-O 2.75Å; D2236-P2265 HydrophobicContact CB-CG 4.3Å; D2236-P2265 VanDerWaalsContact CG-CG 3.43Å; D2236-P2265 VanDerWaalsContact OD1-CD 3.29Å; D2236-P2265 WeakPolarHBondContact OD1-CD 3.44Å; D2236-P2265 VanDerWaalsContact OD2-CG 3.23Å; D2236-P2265 WeakPolarHBondContact OD2-CG 3.12Å
2237	D	28	Very low	27.1	Very low	103.8 Å²	103.8	127.4 Å²	127.4	56%	0.555	67%	0.672	S	S	*	*				-169.5	154.7	60.2	-139.5	-12.6	0	0	0	112.6	K1494 L2239 S2259 M2263 I2264 P2265	K1494-D2237 WeakPolarHBondContact CE-O 3.37Å; K1494-D2237 VanDerWaalsContact NZ-CB 3.33Å; K1494-D2237 PolarHBondContact NZ-O 3.28Å; D2237-L2239 PolarHBondContact OD1-N 3.3Å; D2237-S2259 PolarHBondContact OD2-N 2.89Å; D2237-S2259 PolarHBondContact OD2-OG 3.46Å; D2237-M2263 HydrophobicContact CB-CE 3.9Å; D2237-M2263 HydrophobicContact CB-CG 3.98Å; D2237-M2263 VanDerWaalsContact OD1-CB 3.26Å; D2237-M2263 WeakPolarHBondContact OD1-CB 3.47Å; D2237-M2263 VanDerWaalsContact OD1-CG 3.25Å; D2237-M2263 WeakPolarHBondContact OD1-CG 3.45Å; D2237-I2264 WeakPolarHBondContact OD1-CA 3.45Å; D2237-I2264 WeakPolarHBondContact OD1-CB 3.31Å; D2237-P2265 WeakPolarHBondContact OD1-CD 3.13Å
2238	Y	25.7	Very low	27.3	Very low	161 Å²	161	125.2 Å²	125.2	63%	0.631	67%	0.666	S	S	*	*			trans	-101.7	124.3	147.4	-107.5	-70.4	0	0	0	115.4	V2240 I2258 P2262 M2263	Y2238-V2240 PolarHBondContact O-N 2.89Å; Y2238-V2240 VanDerWaalsContact O-N 3.12Å; Y2238-I2258 HydrophobicContact CE1-CB 4.43Å; Y2238-I2258 HydrophobicContact CE1-CG1 3.77Å; Y2238-I2258 HydrophobicContact CE2-CB 4.15Å; Y2238-I2258 HydrophobicContact CE2-CG1 4.38Å; Y2238-I2258 HydrophobicContact CE2-CG2 4.04Å; Y2238-I2258 WeakPolarHBondContact OH-CG2 3.4Å; Y2238-P2262 HydrophobicContact CE1-CG 4.31Å; Y2238-P2262 HydrophobicContact CE2-CG 3.79Å; Y2238-M2263 HydrophobicContact CD1-CE 4.12Å; Y2238-M2263 HydrophobicContact CD1-SD 4.41Å; Y2238-M2263 HydrophobicContact CD2-CE 4.45Å; Y2238-M2263 HydrophobicContact CE1-CE 4.19Å; Y2238-M2263 HydrophobicContact CG-CE 4.24Å
2239	L	28.8	Very low	27.5	Very low	135 Å²	135	121.5 Å²	121.5	71%	0.707	66%	0.663	S	S	*	*	S	Bend	trans	55.8	103.8	150.2	-88.8	150.9	0	0	0	116.6	D2237 P2262 M2263	D2237-L2239 PolarHBondContact OD1-N 3.3Å; L2239-P2262 WeakPolarHBondContact CA-O 3.25Å; L2239-P2262 HydrophobicContact CG-CG 4.11Å; L2239-P2262 VanDerWaalsContact CG-O 3.27Å; L2239-P2262 WeakPolarHBondContact CG-O 3.26Å; L2239-M2263 HydrophobicContact CB-SD 3.71Å; L2239-M2263 HydrophobicContact CD1-SD 3.9Å; L2239-M2263 HydrophobicContact CG-SD 4.33Å; L2239-M2263 PolarHBondContact N-SD 2.72Å
2240	V	27.8	Very low	27.9	Very low	115.8 Å²	115.8	121.7 Å²	121.7	70%	0.702	66%	0.662	S	S	*	*				57.1	108.7	128.3	-179.5	0	0	0	0	116	Y2238 V2242	Y2238-V2240 PolarHBondContact O-N 2.89Å; Y2238-V2240 VanDerWaalsContact O-N 3.12Å; V2240-V2242 HydrophobicContact CG1-CG2 4.23Å
2241	K	29.4	Very low	28	Very low	161.8 Å²	161.8	123 Å²	123	70%	0.703	66%	0.66	S	S	*	*				112.4	112.1	115.1	-101.6	-179.3	-179.9	-178.6	0	113.4	E3061	K2241-E3061 WeakPolarHBondContact CD-OE1 3.13Å; K2241-E3061 IonicContact NZ-OE1 3.96Å; K2241-E3061 PolarHBondContact NZ-OE1 3.44Å; K2241-E3061 VanDerWaalsContact NZ-OE1 3.11Å; K2241-E3061 IonicContact NZ-OE2 3.29Å; K2241-E3061 PolarHBondContact NZ-OE2 3.27Å
2242	V	26.8	Very low	27.9	Very low	120.4 Å²	120.4	124.4 Å²	124.4	73%	0.73	66%	0.661	S	S	*	*				118.5	134.2	93.9	149.1	0	0	0	0	114	V2240	V2240-V2242 HydrophobicContact CG1-CG2 4.23Å
2243	S	26.7	Very low	27.9	Very low	93.8 Å²	93.8	120.3 Å²	120.3	66%	0.656	65%	0.65	S	S	*	*			trans	67.2	141.6	157.7	-20.5	0	0	0	0	118.7	S2235	S2235-S2243 CarbonylContact O-C 3.02Å
2244	A	25.5	Very low	27.8	Very low	74.8 Å²	74.8	123.3 Å²	123.3	62%	0.618	66%	0.664	S	S	*	*				118.3	148.8	54.4	0	0	0	0	0	115.8	Q2234 S2235	Q2234-A2244 CarbonylContact C-O 2.92Å; S2235-A2244 PolarHBondContact N-O 2.73Å; S2235-A2244 PolarHBondContact O-N 2.69Å
2245	D	26.9	Very low	27.6	Very low	132 Å²	132	123.2 Å²	123.2	71%	0.706	67%	0.667	S	S	*	*				87.2	134.1	120.1	-84.7	-16.3	0	0	0	116.7	E2233	E2233-D2245 WeakPolarHBondContact CA-O 3.39Å
2246	L	26.9	Very low	27.6	Very low	143 Å²	143	126.2 Å²	126.2	75%	0.749	68%	0.676	S	S	*	*			trans	152.2	153.3	132.1	-90.9	167.9	0	0	0	114.2	E2233 N2248	E2233-L2246 VanDerWaalsContact OE1-C 3.26Å; E2233-L2246 VanDerWaalsContact OE1-CB 3.3Å; E2233-L2246 WeakPolarHBondContact OE1-CB 3Å; L2246-N2248 PolarHBondContact O-N 3.19Å
2247	L	27.9	Very low	27.5	Very low	144.6 Å²	144.6	125.9 Å²	125.9	76%	0.757	67%	0.674	S	S	*	*			trans	-49.9	123.5	-177.3	-64.1	166.7	0	0	0	115	E2233	E2233-L2247 PolarHBondContact OE1-N 3.28Å
2248	N	28.1	Very low	27.5	Very low	123.6 Å²	123.6	126.7 Å²	126.7	66%	0.661	68%	0.677	S	S	*	*				-161.9	130	99.7	-100.3	-33.6	0	0	0	113.7	E2232 E2233 L2246	E2232-N2248 VanDerWaalsContact CD-ND2 3.33Å; E2232-N2248 PolarHBondContact OE2-ND2 3.41Å; E2233-N2248 HydrophobicContact CG-CB 4.38Å; E2233-N2248 VanDerWaalsContact OE2-CB 3.28Å; E2233-N2248 WeakPolarHBondContact OE2-CB 3Å; E2233-N2248 PolarHBondContact OE2-N 2.72Å; E2233-N2248 PolarHBondContact OE2-ND2 2.84Å; L2246-N2248 PolarHBondContact O-N 3.19Å
2249	L	27	Very low	27.5	Very low	153.6 Å²	153.6	123 Å²	123	80%	0.804	67%	0.674	S	S	*	*			trans	-0.4	154.1	157.7	-67.2	135.6	0	0	0	116.3
2250	P	31.9	Very low	27.3	Very low	101.4 Å²	101.4	122.6 Å²	122.6	66%	0.658	67%	0.673	S	S	*	*			cis	-127.8	170.9	-23.2	36.3	-20.7	0	0	0	115.3	F3002	P2250-F3002 HydrophobicContact CB-CD2 4.5Å
2251	L	27.1	Very low	27.2	Very low	124.4 Å²	124.4	125.4 Å²	125.4	65%	0.651	68%	0.678	S	S	*	*			trans	130.7	121.4	138.9	-72	168.8	0	0	0	116.2	Q2269 Q2270 Y2271 G3000 N3001	L2251-Q2269 CarbonylContact O-C 3.45Å; L2251-Q2269 VanDerWaalsContact O-CA 3.25Å; L2251-Q2269 WeakPolarHBondContact O-CA 3.28Å; L2251-Q2269 WeakPolarHBondContact O-CB 3.45Å; L2251-Q2270 CarbonylContact C-O 3.26Å; L2251-Q2270 WeakPolarHBondContact CB-O 3.16Å; L2251-Q2270 PolarHBondContact O-N 3.18Å; L2251-Y2271 HydrophobicContact CB-CD2 3.81Å; L2251-Y2271 HydrophobicContact CB-CG 4.24Å; L2251-Y2271 HydrophobicContact CD1-CD2 4.01Å; L2251-Y2271 HydrophobicContact CD1-CG 3.91Å; L2251-Y2271 HydrophobicContact CD2-CD2 3.93Å; L2251-Y2271 HydrophobicContact CD2-CE2 4.07Å; L2251-Y2271 HydrophobicContact CG-CD2 4.13Å; L2251-Y2271 HydrophobicContact CG-CG 4.5Å; L2251-G3000 CarbonylContact O-C 3.55Å; L2251-G3000 WeakPolarHBondContact O-CA 3.03Å; L2251-N3001 CarbonylContact C-O 3.44Å; L2251-N3001 VanDerWaalsContact CA-O 3.26Å; L2251-N3001 WeakPolarHBondContact CA-O 3.07Å; L2251-N3001 PolarHBondContact N-O 2.76Å; L2251-N3001 PolarHBondContact O-N 2.8Å
2252	F	26.8	Very low	27.2	Very low	159.4 Å²	159.4	122.1 Å²	122.1	70%	0.699	67%	0.674	S	S	*	*			trans	36.1	129.2	162.1	-66.7	-86.9	0	0	0	125	Q2269 Q2270 Y2271 G3000 N3001 F3002	F2252-Q2269 VanDerWaalsContact C-CB 3.42Å; F2252-Q2270 WeakPolarHBondContact CA-O 3.34Å; F2252-Q2270 PolarHBondContact N-O 2.77Å; F2252-Q2270 VanDerWaalsContact O-CA 3.27Å; F2252-Q2270 WeakPolarHBondContact O-CA 2.78Å; F2252-Q2270 WeakPolarHBondContact O-CB 3.12Å; F2252-Q2270 WeakPolarHBondContact O-CG 3.38Å; F2252-Q2270 PolarHBondContact O-N 3.07Å; F2252-Y2271 HydrophobicContact CB-CD2 4.07Å; F2252-Y2271 HydrophobicContact CB-CE2 4.2Å; F2252-Y2271 HydrophobicContact CD2-CD2 4.24Å; F2252-Y2271 AromaticContact CD2-CE2 3.82Å; F2252-Y2271 HydrophobicContact CD2-CE2 3.82Å; F2252-Y2271 HydrophobicContact CG-CE2 4.27Å; F2252-G3000 CarbonylContact O-C 3.25Å; F2252-N3001 PolarHBondContact N-O 2.81Å; F2252-N3001 CarbonylContact O-C 3.4Å; F2252-N3001 WeakPolarHBondContact O-CA 3.43Å; F2252-N3001 PolarHBondContact O-N 2.93Å; F2252-N3001 VanDerWaalsContact O-N 3.08Å; F2252-F3002 CarbonylContact C-O 3.58Å; F2252-F3002 WeakPolarHBondContact CA-O 3.02Å; F2252-F3002 PolarHBondContact N-O 3.01Å; F2252-F3002 PolarHBondContact O-N 3.1Å
2253	S	27.4	Very low	27.2	Very low	72.6 Å²	72.6	123.4 Å²	123.4	51%	0.508	67%	0.674	S	S	.	*				124	144.3	92.4	71.4	0	0	0	0	117	S2268 Q2269 Q2270 F3002	S2253-S2268 WeakPolarHBondContact O-CB 3.39Å; S2253-Q2269 VanDerWaalsContact N-CB 3.33Å; S2253-Q2269 VanDerWaalsContact N-CG 3.27Å; S2253-Q2269 VanDerWaalsContact N-NE2 3.13Å; S2253-Q2269 VanDerWaalsContact O-CA 3.31Å; S2253-Q2269 WeakPolarHBondContact O-CA 3.25Å; S2253-Q2270 PolarHBondContact OG-NE2 3.31Å; S2253-Q2270 PolarHBondContact OG-OE1 2.98Å; S2253-F3002 PolarHBondContact N-O 3.11Å
2254	E	29	Very low	27.2	Very low	167.2 Å²	167.2	125.6 Å²	125.6	78%	0.781	68%	0.677	S	S	*	*			trans	-150	149.2	155.9	-96.3	159.8	148.6	0	0	114.9
2255	N	27.1	Very low	27.2	Very low	104.4 Å²	104.4	126.7 Å²	126.7	56%	0.558	68%	0.677	S	S	*	*				76.5	130	103.9	-111.4	1.2	0	0	0	117.5
2256	I	28.5	Very low	27.1	Very low	140.8 Å²	140.8	126.3 Å²	126.3	72%	0.722	68%	0.679	S	S	*	*				172.2	137.4	114.5	-72.1	161.8	0	0	0	116.1	I2258	I2256-I2258 HydrophobicContact CG2-CD1 4.41Å; I2256-I2258 HydrophobicContact CG2-CG1 4.17Å
2257	N	24.9	Very low	27.2	Very low	110.2 Å²	110.2	124.4 Å²	124.4	59%	0.589	68%	0.678	S	S	*	*			trans	23.5	133.3	158.6	-101.8	-4.5	0	0	0	120.2
2258	I	27.2	Very low	27.2	Very low	120.4 Å²	120.4	121.9 Å²	121.9	62%	0.617	67%	0.673	S	S	*	*			trans	117.5	118.7	140.2	-60.6	173.6	0	0	0	114.8	Y2238 I2256	Y2238-I2258 HydrophobicContact CE1-CB 4.43Å; Y2238-I2258 HydrophobicContact CE1-CG1 3.77Å; Y2238-I2258 HydrophobicContact CE2-CB 4.15Å; Y2238-I2258 HydrophobicContact CE2-CG1 4.38Å; Y2238-I2258 HydrophobicContact CE2-CG2 4.04Å; Y2238-I2258 WeakPolarHBondContact OH-CG2 3.4Å; I2256-I2258 HydrophobicContact CG2-CD1 4.41Å; I2256-I2258 HydrophobicContact CG2-CG1 4.17Å
2259	S	25.3	Very low	27.3	Very low	82.8 Å²	82.8	123 Å²	123	58%	0.579	67%	0.674	S	S	*	*			trans	173.4	138.6	150.3	93.9	0	0	0	0	117.7	D2237	D2237-S2259 PolarHBondContact OD2-N 2.89Å; D2237-S2259 PolarHBondContact OD2-OG 3.46Å
2260	N	25.2	Very low	27.4	Very low	128.4 Å²	128.4	121.7 Å²	121.7	69%	0.687	66%	0.663	S	S	*	*				116.4	137.3	104.2	-80.1	-35.6	0	0	0	119.1	N3018 L3019	N2260-N3018 CarbonylContact C-O 3.28Å; N2260-L3019 WeakPolarHBondContact O-CB 3.46Å
2261	Q	26.2	Very low	27	Very low	173 Å²	173	126.4 Å²	126.4	81%	0.808	67%	0.67	S	S	*	*			trans	74.4	146.7	151.6	-72.6	-176	-2.7	0	0	119	N3018 L3019	Q2261-N3018 PolarHBondContact N-O 3.1Å; Q2261-L3019 WeakPolarHBondContact O-CB 3.3Å; Q2261-L3019 WeakPolarHBondContact O-CD1 3.4Å
2262	P	28.1	Very low	27	Very low	93.6 Å²	93.6	125.5 Å²	125.5	61%	0.608	66%	0.662	S	S	*	*			trans	-116.9	156.3	-171.1	38.4	-31.4	0	0	0	115.8	Y2238 L2239	Y2238-P2262 HydrophobicContact CE1-CG 4.31Å; Y2238-P2262 HydrophobicContact CE2-CG 3.79Å; L2239-P2262 WeakPolarHBondContact CA-O 3.25Å; L2239-P2262 HydrophobicContact CG-CG 4.11Å; L2239-P2262 VanDerWaalsContact CG-O 3.27Å; L2239-P2262 WeakPolarHBondContact CG-O 3.26Å
2263	M	26.7	Very low	27	Very low	147.4 Å²	147.4	121.9 Å²	121.9	73%	0.726	66%	0.656	S	S	*	*			trans	-163.7	127.7	148.8	-83.8	169.9	75.4	0	0	110	D2237 Y2238 L2239	D2237-M2263 HydrophobicContact CB-CE 3.9Å; D2237-M2263 HydrophobicContact CB-CG 3.98Å; D2237-M2263 VanDerWaalsContact OD1-CB 3.26Å; D2237-M2263 WeakPolarHBondContact OD1-CB 3.47Å; D2237-M2263 VanDerWaalsContact OD1-CG 3.25Å; D2237-M2263 WeakPolarHBondContact OD1-CG 3.45Å; Y2238-M2263 HydrophobicContact CD1-CE 4.12Å; Y2238-M2263 HydrophobicContact CD1-SD 4.41Å; Y2238-M2263 HydrophobicContact CD2-CE 4.45Å; Y2238-M2263 HydrophobicContact CE1-CE 4.19Å; Y2238-M2263 HydrophobicContact CG-CE 4.24Å; L2239-M2263 HydrophobicContact CB-SD 3.71Å; L2239-M2263 HydrophobicContact CD1-SD 3.9Å; L2239-M2263 HydrophobicContact CG-SD 4.33Å; L2239-M2263 PolarHBondContact N-SD 2.72Å
2264	I	26.7	Very low	26.9	Very low	140.4 Å²	140.4	124 Å²	124	72%	0.72	66%	0.661	S	S	*	*				71.6	138.8	70.5	-49	174.8	0	0	0	112.6	D2237	D2237-I2264 WeakPolarHBondContact OD1-CA 3.45Å; D2237-I2264 WeakPolarHBondContact OD1-CB 3.31Å
2265	P	26.9	Very low	26.7	Very low	96.8 Å²	96.8	119.9 Å²	119.9	63%	0.629	65%	0.651	S	S	*	*			trans	-117.3	172.6	-151.4	36	-22.6	0	0	0	115.4	D2236 D2237	D2236-P2265 HydrophobicContact CB-CG 4.3Å; D2236-P2265 VanDerWaalsContact CG-CG 3.43Å; D2236-P2265 VanDerWaalsContact OD1-CD 3.29Å; D2236-P2265 WeakPolarHBondContact OD1-CD 3.44Å; D2236-P2265 VanDerWaalsContact OD2-CG 3.23Å; D2236-P2265 WeakPolarHBondContact OD2-CG 3.12Å; D2237-P2265 WeakPolarHBondContact OD1-CD 3.13Å
2266	V	24.9	Very low	26.7	Very low	124.6 Å²	124.6	119.6 Å²	119.6	76%	0.755	66%	0.656	S	S	*	*				154.3	130.8	127.2	-173.5	0	0	0	0	114.6
2267	S	28.2	Very low	26.7	Very low	103.6 Å²	103.6	117.1 Å²	117.1	72%	0.724	65%	0.648	S	S	*	*			trans	29.8	135.6	153	59.3	0	0	0	0	117.6
2268	S	27.6	Very low	26.8	Very low	91.2 Å²	91.2	116.4 Å²	116.4	64%	0.638	65%	0.648	S	S	*	*			trans	-147.4	151.5	160.2	54.9	0	0	0	0	112.5	S2253	S2253-S2268 WeakPolarHBondContact O-CB 3.39Å
2269	Q	29.7	Very low	26.9	Very low	146.6 Å²	146.6	115.9 Å²	115.9	69%	0.685	65%	0.652	S	S	*	*				177.6	141	126.6	-79.4	180	-13.6	0	0	110.3	L2251 F2252 S2253 L3079	L2251-Q2269 CarbonylContact O-C 3.45Å; L2251-Q2269 VanDerWaalsContact O-CA 3.25Å; L2251-Q2269 WeakPolarHBondContact O-CA 3.28Å; L2251-Q2269 WeakPolarHBondContact O-CB 3.45Å; F2252-Q2269 VanDerWaalsContact C-CB 3.42Å; S2253-Q2269 VanDerWaalsContact N-CB 3.33Å; S2253-Q2269 VanDerWaalsContact N-CG 3.27Å; S2253-Q2269 VanDerWaalsContact N-NE2 3.13Å; S2253-Q2269 VanDerWaalsContact O-CA 3.31Å; S2253-Q2269 WeakPolarHBondContact O-CA 3.25Å; Q2269-L3079 HydrophobicContact CB-CD2 4.03Å
2270	Q	29.3	Very low	27	Very low	126 Å²	126	117.1 Å²	117.1	59%	0.589	66%	0.66	S	S	*	*				171.5	152.4	63	-85.9	168.1	-17	0	0	112.9	L2251 F2252 S2253	L2251-Q2270 CarbonylContact C-O 3.26Å; L2251-Q2270 WeakPolarHBondContact CB-O 3.16Å; L2251-Q2270 PolarHBondContact O-N 3.18Å; F2252-Q2270 WeakPolarHBondContact CA-O 3.34Å; F2252-Q2270 PolarHBondContact N-O 2.77Å; F2252-Q2270 VanDerWaalsContact O-CA 3.27Å; F2252-Q2270 WeakPolarHBondContact O-CA 2.78Å; F2252-Q2270 WeakPolarHBondContact O-CB 3.12Å; F2252-Q2270 WeakPolarHBondContact O-CG 3.38Å; F2252-Q2270 PolarHBondContact O-N 3.07Å; S2253-Q2270 PolarHBondContact OG-NE2 3.31Å; S2253-Q2270 PolarHBondContact OG-OE1 2.98Å
2271	Y	24.6	Very low	27.1	Very low	200.8 Å²	200.8	116.6 Å²	116.6	79%	0.787	66%	0.664	S	S	*	*			trans	161.2	149.8	140.7	-100.2	-92	0	0	0	112.5	L2251 F2252	L2251-Y2271 HydrophobicContact CB-CD2 3.81Å; L2251-Y2271 HydrophobicContact CB-CG 4.24Å; L2251-Y2271 HydrophobicContact CD1-CD2 4.01Å; L2251-Y2271 HydrophobicContact CD1-CG 3.91Å; L2251-Y2271 HydrophobicContact CD2-CD2 3.93Å; L2251-Y2271 HydrophobicContact CD2-CE2 4.07Å; L2251-Y2271 HydrophobicContact CG-CD2 4.13Å; L2251-Y2271 HydrophobicContact CG-CG 4.5Å; F2252-Y2271 HydrophobicContact CB-CD2 4.07Å; F2252-Y2271 HydrophobicContact CB-CE2 4.2Å; F2252-Y2271 HydrophobicContact CD2-CD2 4.24Å; F2252-Y2271 AromaticContact CD2-CE2 3.82Å; F2252-Y2271 HydrophobicContact CD2-CE2 3.82Å; F2252-Y2271 HydrophobicContact CG-CE2 4.27Å
2272	E	25.8	Very low	27.2	Very low	106.2 Å²	106.2	115 Å²	115	50%	0.496	66%	0.66	S	S	.	*			trans	-136.5	141.5	177.7	-106.6	177.1	130.8	0	0	114	P2348 N2349 S3082 Y3083	E2272-P2348 HydrophobicContact CB-CB 4.15Å; E2272-P2348 HydrophobicContact CB-CG 3.65Å; E2272-P2348 HydrophobicContact CG-CG 4.13Å; E2272-P2348 VanDerWaalsContact OE2-CG 3.28Å; E2272-P2348 WeakPolarHBondContact OE2-CG 3.4Å; E2272-N2349 PolarHBondContact OE1-ND2 2.72Å; E2272-S3082 VanDerWaalsContact OE2-CB 3.3Å; E2272-S3082 WeakPolarHBondContact OE2-CB 3.35Å; E2272-Y3083 PolarHBondContact OE1-OH 3.39Å; E2272-Y3083 WeakPolarHBondContact OE2-CE2 3.43Å; E2272-Y3083 PolarHBondContact OE2-OH 3.19Å
2273	S	27	Very low	27.1	Very low	82.2 Å²	82.2	118 Å²	118	58%	0.575	67%	0.67	S	S	*	*				169.9	140.2	117.4	60.5	0	0	0	0	114.3	T2278 N2349	S2273-T2278 WeakPolarHBondContact O-CG2 3.17Å; S2273-T2278 PolarHBondContact O-OG1 3.18Å; S2273-N2349 PolarHBondContact OG-ND2 2.72Å
2274	L	25	Very low	27.1	Very low	116.8 Å²	116.8	115.9 Å²	115.9	61%	0.612	67%	0.669	S	S	*	*			trans	156.9	126.6	134.5	-135.9	81.2	0	0	0	113.7	N2349 C3084	L2274-N2349 PolarHBondContact O-ND2 2.86Å; L2274-N2349 PolarHBondContact O-OD1 2.86Å; L2274-C3084 HydrophobicContact CD1-CB 3.76Å; L2274-C3084 HydrophobicContact CG-CB 3.95Å
2275	S	25	Very low	27.1	Very low	81.2 Å²	81.2	116 Å²	116	57%	0.568	67%	0.671	S	S	*	*			trans	-177.9	145.9	151.2	-79.5	0	0	0	0	114.2	N2938 P2939 S2940	S2275-N2938 CarbonylContact O-C 3.42Å; S2275-N2938 VanDerWaalsContact O-C 3.24Å; S2275-P2939 CarbonylContact O-C 3.24Å; S2275-P2939 WeakPolarHBondContact O-CA 3.02Å; S2275-P2939 VanDerWaalsContact O-N 3.07Å; S2275-S2940 PolarHBondContact O-N 2.85Å
2276	C	28.2	Very low	27	Very low	98.6 Å²	98.6	116.6 Å²	116.6	67%	0.666	68%	0.676	S	S	*	*			trans	102.4	119.4	133.7	-67.2	0	0	0	0	116	C2937 S2940	C2276-C2937 WeakPolarHBondContact CB-O 3.37Å; C2276-C2937 PolarHBondContact SG-O 3.04Å; C2276-S2940 PolarHBondContact O-N 3.39Å; C2276-S2940 VanDerWaalsContact O-N 3.16Å; C2276-S2940 PolarHBondContact O-OG 2.75Å
2277	T	28.7	Very low	27	Very low	88.2 Å²	88.2	115.3 Å²	115.3	54%	0.541	67%	0.672	S	S	.	*				155.1	131.1	60.4	0.5	0	0	0	0	112.8	C2937 N2938 P2939 S2940	T2277-C2937 HydrophobicContact CG2-CB 4.42Å; T2277-N2938 HydrophobicContact CG2-CB 4.29Å; T2277-P2939 VanDerWaalsContact OG1-CA 3.3Å; T2277-P2939 WeakPolarHBondContact OG1-CA 3.35Å; T2277-P2939 VanDerWaalsContact OG1-CB 3.28Å; T2277-P2939 WeakPolarHBondContact OG1-CB 3.17Å; T2277-S2940 PolarHBondContact OG1-OG 3.42Å
2278	T	26	Very low	27	Very low	96.4 Å²	96.4	118.4 Å²	118.4	59%	0.591	68%	0.675	S	S	*	*			trans	-70.3	156.3	139.4	46.8	0	0	0	0	114.1	S2273 Y2935	S2273-T2278 WeakPolarHBondContact O-CG2 3.17Å; S2273-T2278 PolarHBondContact O-OG1 3.18Å; T2278-Y2935 HydrophobicContact CG2-CD1 3.56Å; T2278-Y2935 HydrophobicContact CG2-CE1 3.37Å; T2278-Y2935 WeakPolarHBondContact OG1-CD1 3.36Å
2279	P	30.6	Very low	26.9	Very low	110 Å²	110	118.9 Å²	118.9	71%	0.714	68%	0.679	S	S	*	*				-118.5	147	126.1	36.2	-23.5	0	0	0	113.7	Y2935	P2279-Y2935 VanDerWaalsContact CD-CE2 3.49Å; P2279-Y2935 HydrophobicContact CG-CD2 4.33Å; P2279-Y2935 HydrophobicContact CG-CE2 3.76Å
2280	S	25.8	Very low	27.1	Very low	107 Å²	107	116.9 Å²	116.9	75%	0.748	68%	0.678	S	S	*	*			trans	-171.5	149.5	146	-27.9	0	0	0	0	112.2	I2282	S2280-I2282 VanDerWaalsContact OG-CD1 3.31Å; S2280-I2282 WeakPolarHBondContact OG-CD1 3.32Å
2281	P	29	Very low	27	Very low	117.6 Å²	117.6	116.1 Å²	116.1	76%	0.764	68%	0.682	S	S	*	*				-111	176.5	112	27.9	-15.1	0	0	0	112.8
2282	I	27.7	Very low	27.2	Very low	140.8 Å²	140.8	112.6 Å²	112.6	72%	0.722	68%	0.676	S	S	*	*				112.7	119.2	70	-59.4	174.4	0	0	0	113.4	S2280	S2280-I2282 VanDerWaalsContact OG-CD1 3.31Å; S2280-I2282 WeakPolarHBondContact OG-CD1 3.32Å
2283	L	25.5	Very low	27.3	Very low	156.4 Å²	156.4	113.1 Å²	113.1	82%	0.819	68%	0.681	S	S	*	*				6.3	146.4	123	-63.6	164.6	0	0	0	115.2
2284	S	26.6	Very low	27.5	Very low	101.6 Å²	101.6	115.7 Å²	115.7	71%	0.71	68%	0.682	S	S	*	*				-173.3	141.4	54.6	176.3	0	0	0	0	113.6
2285	L	27.2	Very low	27.6	Very low	144.2 Å²	144.2	115.9 Å²	115.9	76%	0.755	68%	0.683	S	S	*	*			trans	12.4	140.1	161.5	-74.9	76.1	0	0	0	120.9
2286	C	24.7	Very low	27.7	Very low	109.4 Å²	109.4	116.2 Å²	116.2	74%	0.739	69%	0.685	S	S	*	*			trans	67.9	112.8	138.7	-66.9	0	0	0	0	121
2287	S	25	Very low	27.8	Very low	96.4 Å²	96.4	115.1 Å²	115.1	67%	0.674	68%	0.679	S	S	*	*				83.2	149.7	115.2	69.6	0	0	0	0	117.3
2288	H	27.7	Very low	27.9	Very low	168.6 Å²	168.6	120.8 Å²	120.8	78%	0.781	69%	0.692	S	S	*	*			trans	93.6	135.5	178.5	-58.1	-73.5	0	0	0	115.4	I2327	H2288-I2327 PolarHBondContact O-N 3.09Å
2289	S	26	Very low	28.1	Very low	101.8 Å²	101.8	120.9 Å²	120.9	71%	0.712	69%	0.692	S	S	*	*			trans	-88.7	166.7	144.6	-71.6	0	0	0	0	112.3	E2326 I2327	S2289-E2326 VanDerWaalsContact C-C 3.41Å; S2289-E2326 CarbonylContact C-O 2.72Å; S2289-E2326 VanDerWaalsContact C-O 3.31Å; S2289-I2327 CarbonylContact C-O 3.07Å; S2289-I2327 VanDerWaalsContact CA-N 3.27Å
2290	P	33	Very low	28.1	Very low	105 Å²	105	121.4 Å²	121.4	68%	0.682	69%	0.693	S	S	*	*			trans	-114.7	149.9	-135.4	27.5	-13	0	0	0	114.5	N2325 E2326 N2421	P2290-N2325 CarbonylContact C-O 2.62Å; P2290-N2325 VanDerWaalsContact C-O 3.31Å; P2290-N2325 WeakPolarHBondContact CA-O 3.34Å; P2290-E2326 CarbonylContact C-O 3.6Å; P2290-E2326 VanDerWaalsContact CA-C 3.42Å; P2290-E2326 WeakPolarHBondContact CA-O 3.14Å; P2290-N2421 WeakPolarHBondContact O-CB 2.96Å; P2290-N2421 PolarHBondContact O-ND2 2.93Å
2291	V	27.1	Very low	28.4	Very low	109 Å²	109	121.8 Å²	121.8	66%	0.661	69%	0.687	S	S	*	*			trans	22.9	122.2	151.7	-164.3	0	0	0	0	112.7	D2293 N2325 E2326	V2291-D2293 HydrophobicContact CG1-CB 4.14Å; V2291-N2325 PolarHBondContact N-O 3.11Å; V2291-N2325 CarbonylContact O-C 3.26Å; V2291-E2326 HydrophobicContact CB-CB 3.94Å; V2291-E2326 HydrophobicContact CG2-CB 4.47Å; V2291-E2326 PolarHBondContact N-O 2.6Å; V2291-E2326 VanDerWaalsContact N-O 3.11Å; V2291-E2326 VanDerWaalsContact O-CB 3.31Å; V2291-E2326 WeakPolarHBondContact O-CB 3.04Å; V2291-E2326 VanDerWaalsContact O-CG 3.24Å; V2291-E2326 WeakPolarHBondContact O-CG 3.37Å
2292	I	28.8	Very low	28.4	Very low	128 Å²	128	124.7 Å²	124.7	66%	0.656	69%	0.687	S	S	*	*				156.5	123.3	107	-80.2	168.5	0	0	0	111.3	K2294 N2420	I2292-K2294 PolarHBondContact O-N 2.94Å; I2292-N2420 VanDerWaalsContact O-CB 3.31Å; I2292-N2420 WeakPolarHBondContact O-CB 3.42Å; I2292-N2420 PolarHBondContact O-ND2 3.44Å
2293	D	28.8	Very low	28.6	Very low	115 Å²	115	121.7 Å²	121.7	62%	0.615	68%	0.684	S	S	*	*				58.1	129.9	122.2	-112	-9	0	0	0	115.8	V2291 S2296	V2291-D2293 HydrophobicContact CG1-CB 4.14Å; D2293-S2296 PolarHBondContact O-N 3.04Å
2294	K	30.9	Very low	28.9	Very low	136.8 Å²	136.8	120 Å²	120	60%	0.595	68%	0.679	S	S	*	*				-169.4	124.8	122	-79.7	168.3	-179.1	155.6	0	115.2	I2292 S2306 N2307	I2292-K2294 PolarHBondContact O-N 2.94Å; K2294-S2306 VanDerWaalsContact CE-C 3.41Å; K2294-S2306 VanDerWaalsContact CE-CB 3.43Å; K2294-S2306 WeakPolarHBondContact CE-OG 3.22Å; K2294-S2306 VanDerWaalsContact NZ-C 3.34Å; K2294-S2306 PolarHBondContact NZ-O 2.68Å; K2294-S2306 PolarHBondContact NZ-OG 2.87Å; K2294-N2307 VanDerWaalsContact CE-CA 3.48Å; K2294-N2307 PolarHBondContact NZ-OD1 3.07Å
2295	L	27.1	Very low	29.1	Very low	122 Å²	122	121.4 Å²	121.4	64%	0.639	68%	0.679	S	S	*	*				3.1	147.7	94.7	-77.2	132.8	0	0	0	116.4	S2297 T3135	L2295-S2297 PolarHBondContact O-N 3.06Å; L2295-T3135 HydrophobicContact CD2-CG2 3.41Å; L2295-T3135 VanDerWaalsContact CD2-CG2 3.41Å; L2295-T3135 HydrophobicContact CG-CG2 3.83Å
2296	S	27.2	Very low	29.3	Very low	87.2 Å²	87.2	117.9 Å²	117.9	61%	0.61	67%	0.666	S	S	*	*			trans	101.6	123.6	145.3	-76.8	0	0	0	0	114.8	D2293 T3135	D2293-S2296 PolarHBondContact O-N 3.04Å; S2296-T3135 WeakPolarHBondContact CA-OG1 3.39Å; S2296-T3135 PolarHBondContact N-OG1 3.37Å
2297	S	30.8	Very low	29.7	Very low	74.8 Å²	74.8	118.9 Å²	118.9	52%	0.523	67%	0.665	S	S	.	*			trans	-123.2	116.5	138.4	59.7	0	0	0	0	114.5	L2295	L2295-S2297 PolarHBondContact O-N 3.06Å
2298	Y	29.9	Very low	29.9	Very low	209.2 Å²	209.2	121.7 Å²	121.7	82%	0.82	67%	0.667	S	S	*	*			trans	75.7	138.1	131.7	-87.7	-104.4	0	0	0	113.2
2299	V	30.7	Very low	30.3	Very low	97.6 Å²	97.6	118.2 Å²	118.2	59%	0.592	66%	0.659	S	S	*	*			cis	169.5	125.9	37.8	175.4	0	0	0	0	110.3	A2303 D3099 F3100	V2299-A2303 VanDerWaalsContact CG2-N 3.31Å; V2299-D3099 WeakPolarHBondContact CG2-O 3.17Å; V2299-F3100 CarbonylContact C-O 3.24Å; V2299-F3100 WeakPolarHBondContact CA-O 3.48Å; V2299-F3100 HydrophobicContact CG1-CB 3.69Å
2300	V	31.3	Very low	30.5	Very low	121.4 Å²	121.4	118.2 Å²	118.2	74%	0.736	66%	0.659	S	S	*	*	S	Bend		-87.8	125.5	112.5	166.4	0	0	0	0	111.8	F3100 L3101	V2300-F3100 CarbonylContact C-O 2.65Å; V2300-F3100 PolarHBondContact N-O 3.5Å; V2300-F3100 CarbonylContact O-C 3.28Å; V2300-L3101 PolarHBondContact O-N 3.04Å
2301	D	30.8	Very low	30.3	Very low	114.8 Å²	114.8	120.6 Å²	120.6	61%	0.614	66%	0.659	S	S	*	*			cis	173.3	132.6	23.5	-96.2	-28.7	0	0	0	115.5	L3101 S3102	D2301-L3101 PolarHBondContact O-N 2.66Å; D2301-S3102 PolarHBondContact O-OG 3.17Å
2302	K	30.4	Very low	30.4	Very low	178.2 Å²	178.2	121.6 Å²	121.6	78%	0.775	66%	0.659	S	S	*	*			trans	148.9	130.4	138.5	-85.7	168.8	-176.3	153.8	0	116.3	F3100	K2302-F3100 WeakPolarHBondContact O-CD1 3.1Å; K2302-F3100 VanDerWaalsContact O-CE1 3.26Å; K2302-F3100 WeakPolarHBondContact O-CE1 2.92Å
2303	A	30.5	Very low	30.3	Very low	78.8 Å²	78.8	122.7 Å²	122.7	65%	0.651	67%	0.666	S	S	*	*			trans	-113.1	0	136.1	0	0	0	0	0	117	V2299 P3138	V2299-A2303 VanDerWaalsContact CG2-N 3.31Å; A2303-P3138 CarbonylContact C-O 3.46Å; A2303-P3138 VanDerWaalsContact C-O 3.24Å; A2303-P3138 HydrophobicContact CB-CB 3.78Å; A2303-P3138 HydrophobicContact CB-CG 3.15Å; A2303-P3138 CarbonylContact O-C 3.52Å; A2303-P3138 WeakPolarHBondContact O-CA 3.04Å; A2303-P3138 WeakPolarHBondContact O-CB 3.22Å; A2303-P3138 WeakPolarHBondContact O-CD 3.2Å; A2303-P3138 VanDerWaalsContact O-CG 3.22Å; A2303-P3138 WeakPolarHBondContact O-CG 3.46Å
2304	V	33	Very low	30.3	Very low	120.4 Å²	120.4	122.3 Å²	122.3	73%	0.73	67%	0.672	S	S	*	*				0	122.4	0	167.7	0	0	0	0	116.9	S2306 I3137 P3138 Y3139	V2304-S2306 PolarHBondContact O-N 2.61Å; V2304-I3137 CarbonylContact C-O 2.82Å; V2304-I3137 WeakPolarHBondContact CA-O 3.46Å; V2304-I3137 PolarHBondContact N-O 2.93Å; V2304-P3138 VanDerWaalsContact C-CB 3.46Å; V2304-P3138 HydrophobicContact CB-CB 3.29Å; V2304-P3138 HydrophobicContact CB-CG 3.17Å; V2304-P3138 HydrophobicContact CG1-CB 4.39Å; V2304-P3138 HydrophobicContact CG2-CB 4.4Å; V2304-P3138 HydrophobicContact CG2-CG 3.42Å; V2304-P3138 VanDerWaalsContact CG2-CG 3.42Å; V2304-Y3139 VanDerWaalsContact O-CB 3.27Å; V2304-Y3139 WeakPolarHBondContact O-CB 3.31Å
2305	D	30.8	Very low	30.6	Very low	131 Å²	131	121.3 Å²	121.3	70%	0.701	68%	0.68	S	S	*	*			trans	30.7	151.2	150.9	-83.5	-54.3	0	0	0	119.9	I3137 Y3139	D2305-I3137 PolarHBondContact N-O 3.43Å; D2305-Y3139 VanDerWaalsContact C-CD1 3.46Å; D2305-Y3139 VanDerWaalsContact C-CE1 3.45Å; D2305-Y3139 WeakPolarHBondContact O-CD1 3.41Å; D2305-Y3139 WeakPolarHBondContact O-CE1 3.38Å
2306	S	31.5	Very low	30.6	Very low	70.4 Å²	70.4	121.1 Å²	121.1	49%	0.492	69%	0.688	S	S	.	*			trans	-173.9	141.9	169.4	65.5	0	0	0	0	116.2	K2294 V2304 T3096	K2294-S2306 VanDerWaalsContact CE-C 3.41Å; K2294-S2306 VanDerWaalsContact CE-CB 3.43Å; K2294-S2306 WeakPolarHBondContact CE-OG 3.22Å; K2294-S2306 VanDerWaalsContact NZ-C 3.34Å; K2294-S2306 PolarHBondContact NZ-O 2.68Å; K2294-S2306 PolarHBondContact NZ-OG 2.87Å; V2304-S2306 PolarHBondContact O-N 2.61Å; S2306-T3096 WeakPolarHBondContact OG-CG2 3.49Å
2307	N	32.4	Very low	30.9	Very low	131 Å²	131	122.2 Å²	122.2	70%	0.701	70%	0.696	S	S	*	*			trans	163.9	152.4	142.5	-86.7	-38.6	0	0	0	116.1	K2294 Q3094	K2294-N2307 VanDerWaalsContact CE-CA 3.48Å; K2294-N2307 PolarHBondContact NZ-OD1 3.07Å; N2307-Q3094 PolarHBondContact OD1-OE1 2.91Å
2308	H	29.7	Very low	30.9	Very low	155.2 Å²	155.2	123.3 Å²	123.3	72%	0.719	70%	0.704	S	S	*	*			trans	122.3	155.5	153.4	-93.7	-57.6	0	0	0	117.4	Q3094	H2308-Q3094 PolarHBondContact CD2-OE1 2.89Å; H2308-Q3094 VanDerWaalsContact NE2-CD 3.28Å; H2308-Q3094 WeakPolarHBondContact NE2-CG 3.45Å; H2308-Q3094 PolarHBondContact NE2-OE1 3.23Å
2309	P	35.4	Very low	30.9	Very low	95.6 Å²	95.6	117.8 Å²	117.8	62%	0.621	70%	0.696	S	S	*	*			trans	-117.6	167.7	-143.6	37.8	-25.7	0	0	0	114.2	L2371 Q3094	P2309-L2371 HydrophobicContact CB-CD2 3.58Å; P2309-L2371 HydrophobicContact CG-CD2 3.76Å; P2309-Q3094 VanDerWaalsContact CD-NE2 3.31Å
2310	S	29.4	Very low	30.8	Very low	101.4 Å²	101.4	117.4 Å²	117.4	71%	0.709	70%	0.698	S	S	*	*			trans	158.1	118.9	146.7	-68.9	0	0	0	0	115.7
2311	K	29.2	Very low	30.6	Very low	154.8 Å²	154.8	116.5 Å²	116.5	67%	0.673	70%	0.696	S	S	*	*				52.8	123.6	115.6	-65	-174.1	178.3	-175.7	0	117.9	P2350 L2351 E2352	K2311-P2350 WeakPolarHBondContact CA-O 3.17Å; K2311-L2351 WeakPolarHBondContact CD-O 3.31Å; K2311-L2351 WeakPolarHBondContact CE-O 3.07Å; K2311-L2351 WeakPolarHBondContact CG-O 3.27Å; K2311-E2352 VanDerWaalsContact CE-O 3.31Å; K2311-E2352 WeakPolarHBondContact CE-O 3.24Å; K2311-E2352 PolarHBondContact NZ-O 3.42Å
2312	L	29	Very low	30.6	Very low	129.4 Å²	129.4	116.1 Å²	116.1	68%	0.677	70%	0.702	S	S	*	*				147.4	157.5	62.1	-99	164.4	0	0	0	114.8	L2351	L2312-L2351 WeakPolarHBondContact CD1-O 3.45Å
2313	L	28.1	Very low	30.8	Very low	151.8 Å²	151.8	113 Å²	113	80%	0.795	70%	0.7	S	S	*	*			trans	128.4	135.7	155.5	-78.7	157	0	0	0	119.1
2314	S	28.7	Very low	30.7	Very low	105.6 Å²	105.6	113.7 Å²	113.7	74%	0.738	71%	0.705	S	S	*	*			trans	106.4	158.3	145.7	-60.2	0	0	0	0	118.1
2315	P	36	Very low	30.5	Very low	117.4 Å²	117.4	114.4 Å²	114.4	76%	0.762	71%	0.705	S	S	*	*			trans	-132.3	166.7	-166.8	39	-22.8	0	0	0	116.5
2316	S	28	Very low	30.4	Very low	117 Å²	117	114.9 Å²	114.9	82%	0.818	70%	0.703	S	S	*	*			trans	155.6	147.2	151.8	-68.8	0	0	0	0	115.8
2317	S	32.3	Very low	30.3	Very low	111 Å²	111	117.9 Å²	117.9	78%	0.776	71%	0.712	S	S	*	*			trans	-178.6	141.9	146.3	-19.9	0	0	0	0	115
2318	S	32.6	Very low	30.5	Very low	98 Å²	98	115.8 Å²	115.8	69%	0.685	71%	0.708	S	S	*	*			trans	54.5	152.2	140.5	53.7	0	0	0	0	119.7	N2338 N2339	S2318-N2338 WeakPolarHBondContact CB-O 3.23Å; S2318-N2338 PolarHBondContact OG-N 3.38Å; S2318-N2338 PolarHBondContact OG-O 2.76Å; S2318-N2339 VanDerWaalsContact C-OD1 3.28Å
2319	S	29.3	Very low	30.3	Very low	93.2 Å²	93.2	113.9 Å²	113.9	65%	0.652	71%	0.707	S	S	*	*			cis	159.6	164.3	12.3	64.6	0	0	0	0	115.8	I2335 S2336 P2337 N2338 N2339	S2319-I2335 CarbonylContact O-C 3.35Å; S2319-S2336 WeakPolarHBondContact O-CA 3.35Å; S2319-P2337 WeakPolarHBondContact O-CD 2.96Å; S2319-N2338 WeakPolarHBondContact CA-O 3.09Å; S2319-N2338 WeakPolarHBondContact CB-O 3.12Å; S2319-N2339 VanDerWaalsContact CA-OD1 3.27Å; S2319-N2339 WeakPolarHBondContact CA-OD1 3.44Å; S2319-N2339 PolarHBondContact N-OD1 3.05Å
2320	S	28.9	Very low	30	Very low	89.8 Å²	89.8	117.6 Å²	117.6	63%	0.628	71%	0.714	S	S	*	*			trans	83.4	134	162.6	69.1	0	0	0	0	119.5	I2335 N2338 N2339 P2340	S2320-I2335 CarbonylContact C-O 3.36Å; S2320-I2335 VanDerWaalsContact CA-O 3.24Å; S2320-I2335 WeakPolarHBondContact CA-O 3.27Å; S2320-N2338 VanDerWaalsContact CA-O 3.28Å; S2320-N2338 WeakPolarHBondContact CA-O 3.07Å; S2320-N2338 WeakPolarHBondContact CB-O 3.5Å; S2320-N2338 WeakPolarHBondContact OG-CB 3.2Å; S2320-N2338 PolarHBondContact OG-ND2 2.68Å; S2320-N2338 PolarHBondContact OG-O 3.19Å; S2320-N2339 VanDerWaalsContact CA-C 3.42Å; S2320-P2340 CarbonylContact C-O 3.54Å; S2320-P2340 PolarHBondContact N-O 3.27Å
2321	C	26.7	Very low	29.9	Very low	102 Å²	102	119.7 Å²	119.7	69%	0.689	71%	0.712	S	S	*	*				143.4	127.3	107.7	-86.7	0	0	0	0	118	I2334 I2335 N2338 N2339 P2340	C2321-I2334 CarbonylContact O-C 2.96Å; C2321-I2334 WeakPolarHBondContact O-CA 3.32Å; C2321-I2334 PolarHBondContact O-N 2.81Å; C2321-I2335 CarbonylContact C-O 3.38Å; C2321-I2335 PolarHBondContact N-O 3.09Å; C2321-I2335 PolarHBondContact O-N 3.16Å; C2321-N2338 PolarHBondContact N-ND2 3.4Å; C2321-N2339 VanDerWaalsContact N-C 3.31Å; C2321-N2339 PolarHBondContact N-O 2.98Å; C2321-P2340 PolarHBondContact N-O 3.3Å
2322	S	29.6	Very low	30	Very low	106.8 Å²	106.8	116.9 Å²	116.9	75%	0.747	71%	0.712	S	S	*	*			trans	44.5	156.7	144	-53.1	0	0	0	0	118.3
2323	P	35.1	Very low	29.9	Very low	113 Å²	113	115 Å²	115	73%	0.734	71%	0.71	S	S	*	*			cis	-130.3	170.3	-19.4	41	-25.4	0	0	0	114.9
2324	A	28.6	Very low	30	Very low	92.2 Å²	92.2	114.3 Å²	114.3	76%	0.762	71%	0.705	S	S	*	*				88.4	119.2	112	0	0	0	0	0	117.5
2325	N	28.7	Very low	29.9	Very low	135.2 Å²	135.2	116.4 Å²	116.4	72%	0.723	71%	0.706	S	S	*	*			trans	-157.9	156.3	161.3	-100.2	6.2	0	0	0	115.9	P2290 V2291	P2290-N2325 CarbonylContact C-O 2.62Å; P2290-N2325 VanDerWaalsContact C-O 3.31Å; P2290-N2325 WeakPolarHBondContact CA-O 3.34Å; V2291-N2325 PolarHBondContact N-O 3.11Å; V2291-N2325 CarbonylContact O-C 3.26Å
2326	E	29.8	Very low	29.5	Very low	142.4 Å²	142.4	114.9 Å²	114.9	67%	0.665	70%	0.699	S	S	*	*				110.9	143.1	109.2	-86.4	179.1	-153.3	0	0	121.2	S2289 P2290 V2291	S2289-E2326 VanDerWaalsContact C-C 3.41Å; S2289-E2326 CarbonylContact C-O 2.72Å; S2289-E2326 VanDerWaalsContact C-O 3.31Å; P2290-E2326 CarbonylContact C-O 3.6Å; P2290-E2326 VanDerWaalsContact CA-C 3.42Å; P2290-E2326 WeakPolarHBondContact CA-O 3.14Å; V2291-E2326 HydrophobicContact CB-CB 3.94Å; V2291-E2326 HydrophobicContact CG2-CB 4.47Å; V2291-E2326 PolarHBondContact N-O 2.6Å; V2291-E2326 VanDerWaalsContact N-O 3.11Å; V2291-E2326 VanDerWaalsContact O-CB 3.31Å; V2291-E2326 WeakPolarHBondContact O-CB 3.04Å; V2291-E2326 VanDerWaalsContact O-CG 3.24Å; V2291-E2326 WeakPolarHBondContact O-CG 3.37Å
2327	I	28.9	Very low	29.8	Very low	132.8 Å²	132.8	114.1 Å²	114.1	68%	0.681	69%	0.691	S	S	*	*			trans	29.5	149.8	130.4	-65.8	151	0	0	0	115.4	H2288 S2289	H2288-I2327 PolarHBondContact O-N 3.09Å; S2289-I2327 CarbonylContact C-O 3.07Å; S2289-I2327 VanDerWaalsContact CA-N 3.27Å
2328	S	35.4	Very low	29.6	Very low	86.2 Å²	86.2	115 Å²	115	60%	0.603	69%	0.687	S	S	*	*				138.7	146.5	114.5	44.2	0	0	0	0	114.5	K3186	S2328-K3186 PolarHBondContact OG-NZ 3.23Å
2329	V	27.4	Very low	29.4	Very low	116.6 Å²	116.6	116.8 Å²	116.8	71%	0.707	69%	0.689	S	S	*	*			trans	68.2	133.5	144.1	-173	0	0	0	0	114.8
2330	F	28.3	Very low	29.5	Very low	173.6 Å²	173.6	117.1 Å²	117.1	76%	0.761	69%	0.688	S	S	*	*			trans	103.4	139.3	163.7	-77	-69.6	0	0	0	114.7
2331	Q	28.2	Very low	29.4	Very low	145.4 Å²	145.4	118.7 Å²	118.7	68%	0.679	69%	0.694	S	S	*	*				87	130.8	64.9	-96	178.4	-12.7	0	0	114.6
2332	S	29.6	Very low	29.4	Very low	95.6 Å²	95.6	118.2 Å²	118.2	67%	0.669	69%	0.692	S	S	*	*				155.9	137.6	93.5	48.6	0	0	0	0	113.3
2333	S	27.7	Very low	29.3	Very low	89.4 Å²	89.4	120.3 Å²	120.3	63%	0.625	69%	0.694	S	S	*	*			cis	113.9	160.6	35.5	-16.1	0	0	0	0	113.1
2334	I	29.2	Very low	28.7	Very low	136.8 Å²	136.8	124.2 Å²	124.2	70%	0.702	70%	0.696	S	S	*	*			cis	-165.7	141.6	21.8	-81.9	152.7	0	0	0	110.6	C2321	C2321-I2334 CarbonylContact O-C 2.96Å; C2321-I2334 WeakPolarHBondContact O-CA 3.32Å; C2321-I2334 PolarHBondContact O-N 2.81Å
2335	I	28.3	Very low	28.7	Very low	149 Å²	149	126.1 Å²	126.1	76%	0.764	69%	0.693	S	S	*	*				169.4	131.7	119.5	-49.6	171.8	0	0	0	111.6	S2319 S2320 C2321	S2319-I2335 CarbonylContact O-C 3.35Å; S2320-I2335 CarbonylContact C-O 3.36Å; S2320-I2335 VanDerWaalsContact CA-O 3.24Å; S2320-I2335 WeakPolarHBondContact CA-O 3.27Å; C2321-I2335 CarbonylContact C-O 3.38Å; C2321-I2335 PolarHBondContact N-O 3.09Å; C2321-I2335 PolarHBondContact O-N 3.16Å
2336	S	27.8	Very low	28.7	Very low	86.2 Å²	86.2	124.7 Å²	124.7	60%	0.603	69%	0.694	S	S	*	*			cis	165.2	148.3	34.5	-161	0	0	0	0	113.5	S2319	S2319-S2336 WeakPolarHBondContact O-CA 3.35Å
2337	P	33	Very low	28.4	Very low	100.6 Å²	100.6	121.9 Å²	121.9	65%	0.653	70%	0.695	S	S	*	*				-126.2	171	-98.1	38.7	-22.5	0	0	0	114.2	S2319	S2319-P2337 WeakPolarHBondContact O-CD 2.96Å
2338	N	29.4	Very low	28.5	Very low	130.6 Å²	130.6	120.4 Å²	120.4	70%	0.698	69%	0.693	S	S	*	*				111.3	145	100	-84.6	-7.9	0	0	0	116.5	S2318 S2319 S2320 C2321	S2318-N2338 WeakPolarHBondContact CB-O 3.23Å; S2318-N2338 PolarHBondContact OG-N 3.38Å; S2318-N2338 PolarHBondContact OG-O 2.76Å; S2319-N2338 WeakPolarHBondContact CA-O 3.09Å; S2319-N2338 WeakPolarHBondContact CB-O 3.12Å; S2320-N2338 VanDerWaalsContact CA-O 3.28Å; S2320-N2338 WeakPolarHBondContact CA-O 3.07Å; S2320-N2338 WeakPolarHBondContact CB-O 3.5Å; S2320-N2338 WeakPolarHBondContact OG-CB 3.2Å; S2320-N2338 PolarHBondContact OG-ND2 2.68Å; S2320-N2338 PolarHBondContact OG-O 3.19Å; C2321-N2338 PolarHBondContact N-ND2 3.4Å
2339	N	27	Very low	28.2	Very low	135.8 Å²	135.8	122.9 Å²	122.9	73%	0.726	70%	0.7	S	S	*	*			trans	-95.2	167.5	147.3	-111.5	-0.9	0	0	0	114.1	S2318 S2319 S2320 C2321	S2318-N2339 VanDerWaalsContact C-OD1 3.28Å; S2319-N2339 VanDerWaalsContact CA-OD1 3.27Å; S2319-N2339 WeakPolarHBondContact CA-OD1 3.44Å; S2319-N2339 PolarHBondContact N-OD1 3.05Å; S2320-N2339 VanDerWaalsContact CA-C 3.42Å; C2321-N2339 VanDerWaalsContact N-C 3.31Å; C2321-N2339 PolarHBondContact N-O 2.98Å
2340	P	31.6	Very low	28.4	Very low	98.2 Å²	98.2	121.6 Å²	121.6	64%	0.638	69%	0.694	S	S	*	*			cis	-137.2	-170.6	2.6	37.5	-17.5	0	0	0	115.1	S2320 C2321	S2320-P2340 CarbonylContact C-O 3.54Å; S2320-P2340 PolarHBondContact N-O 3.27Å; C2321-P2340 PolarHBondContact N-O 3.3Å
2341	V	26.1	Very low	28.4	Very low	123.8 Å²	123.8	119.9 Å²	119.9	75%	0.75	69%	0.693	S	S	*	*			trans	68.5	134	148.6	171.4	0	0	0	0	117.1
2342	S	27.1	Very low	28.2	Very low	92.6 Å²	92.6	120.2 Å²	120.2	65%	0.648	69%	0.694	S	S	*	*			cis	105.6	133.9	30.3	70	0	0	0	0	116.7
2343	L	27.5	Very low	28	Very low	149.6 Å²	149.6	122 Å²	122	78%	0.783	70%	0.695	S	S	*	*				168.8	147.7	121.5	-83.1	151.4	0	0	0	113.8	D2345	L2343-D2345 PolarHBondContact O-N 2.93Å; L2343-D2345 VanDerWaalsContact O-N 3.07Å
2344	Y	24	Very low	27.9	Very low	196.4 Å²	196.4	123.1 Å²	123.1	77%	0.77	70%	0.701	S	S	*	*			trans	14.5	136.2	169.3	-79.3	-97.8	0	0	0	114.4	S2346 A2347 P2348	Y2344-S2346 VanDerWaalsContact CD1-O 3.23Å; Y2344-S2346 WeakPolarHBondContact CD1-O 3.42Å; Y2344-S2346 WeakPolarHBondContact CE1-O 3.05Å; Y2344-A2347 VanDerWaalsContact O-CA 3.25Å; Y2344-A2347 WeakPolarHBondContact O-CA 3.26Å; Y2344-A2347 WeakPolarHBondContact O-CB 3.09Å; Y2344-A2347 PolarHBondContact O-N 3.27Å; Y2344-A2347 VanDerWaalsContact O-N 3.12Å; Y2344-P2348 HydrophobicContact CD1-CB 4.45Å
2345	D	28.6	Very low	27.7	Very low	130.4 Å²	130.4	121.3 Å²	121.3	70%	0.697	70%	0.7	S	S	*	*			cis	-164.2	153.4	41.8	-135.5	-27.7	0	0	0	113.3	L2343 A2347	L2343-D2345 PolarHBondContact O-N 2.93Å; L2343-D2345 VanDerWaalsContact O-N 3.07Å; D2345-A2347 HydrophobicContact CB-CB 4.35Å; D2345-A2347 PolarHBondContact OD1-N 2.96Å
2346	S	27.3	Very low	27.6	Very low	107.4 Å²	107.4	119.9 Å²	119.9	75%	0.751	70%	0.699	S	S	*	*				-2.5	112.8	106.9	-62.2	0	0	0	0	119.4	Y2344	Y2344-S2346 VanDerWaalsContact CD1-O 3.23Å; Y2344-S2346 WeakPolarHBondContact CD1-O 3.42Å; Y2344-S2346 WeakPolarHBondContact CE1-O 3.05Å
2347	A	24.6	Very low	27.5	Very low	82 Å²	82	121.2 Å²	121.2	68%	0.678	70%	0.703	S	S	*	*			trans	-118.7	157.1	131.2	0	0	0	0	0	112.9	Y2344 D2345	Y2344-A2347 VanDerWaalsContact O-CA 3.25Å; Y2344-A2347 WeakPolarHBondContact O-CA 3.26Å; Y2344-A2347 WeakPolarHBondContact O-CB 3.09Å; Y2344-A2347 PolarHBondContact O-N 3.27Å; Y2344-A2347 VanDerWaalsContact O-N 3.12Å; D2345-A2347 HydrophobicContact CB-CB 4.35Å; D2345-A2347 PolarHBondContact OD1-N 2.96Å
2348	P	31.1	Very low	27.1	Very low	101.2 Å²	101.2	121.2 Å²	121.2	66%	0.657	71%	0.706	S	S	*	*				-118.7	164.7	-73.3	36.6	-23.8	0	0	0	114.5	E2272 Y2344	E2272-P2348 HydrophobicContact CB-CB 4.15Å; E2272-P2348 HydrophobicContact CB-CG 3.65Å; E2272-P2348 HydrophobicContact CG-CG 4.13Å; E2272-P2348 VanDerWaalsContact OE2-CG 3.28Å; E2272-P2348 WeakPolarHBondContact OE2-CG 3.4Å; Y2344-P2348 HydrophobicContact CD1-CB 4.45Å
2349	N	27.4	Very low	27.1	Very low	139.4 Å²	139.4	120.3 Å²	120.3	75%	0.745	71%	0.705	S	S	*	*			trans	-21.6	151.9	140.8	-82.3	-26.1	0	0	0	114.4	E2272 S2273 L2274	E2272-N2349 PolarHBondContact OE1-ND2 2.72Å; S2273-N2349 PolarHBondContact OG-ND2 2.72Å; L2274-N2349 PolarHBondContact O-ND2 2.86Å; L2274-N2349 PolarHBondContact O-OD1 2.86Å
2350	P	32.9	Very low	27.1	Very low	89.8 Å²	89.8	120 Å²	120	58%	0.583	71%	0.709	S	S	*	*			cis	-129.7	175.2	30.6	39.7	-24.5	0	0	0	114.8	K2311	K2311-P2350 WeakPolarHBondContact CA-O 3.17Å
2351	L	27	Very low	26.8	Very low	138 Å²	138	121.1 Å²	121.1	72%	0.723	71%	0.713	S	S	*	*			trans	79.8	127.3	154.1	-83.5	162.5	0	0	0	118	K2311 L2312	K2311-L2351 WeakPolarHBondContact CD-O 3.31Å; K2311-L2351 WeakPolarHBondContact CE-O 3.07Å; K2311-L2351 WeakPolarHBondContact CG-O 3.27Å; L2312-L2351 WeakPolarHBondContact CD1-O 3.45Å
2352	E	25.5	Very low	26.7	Very low	152.4 Å²	152.4	120.6 Å²	120.6	71%	0.712	71%	0.711	S	S	*	*				23.3	140.4	127.8	-79	-175.8	142.9	0	0	117.8	K2311	K2311-E2352 VanDerWaalsContact CE-O 3.31Å; K2311-E2352 WeakPolarHBondContact CE-O 3.24Å; K2311-E2352 PolarHBondContact NZ-O 3.42Å
2353	I	24.9	Very low	26.6	Very low	132.6 Å²	132.6	121.6 Å²	121.6	68%	0.68	71%	0.713	S	S	*	*			trans	107	136.8	130.3	-72.8	164.5	0	0	0	114
2354	C	25.1	Very low	26.6	Very low	112.8 Å²	112.8	120.2 Å²	120.2	76%	0.762	71%	0.71	S	S	*	*			trans	73.9	127	153.8	-83	0	0	0	0	116.7
2355	S	24.9	Very low	26.7	Very low	98.4 Å²	98.4	115.2 Å²	115.2	69%	0.688	70%	0.704	S	S	*	*				-179.5	133.1	76.6	-72.7	0	0	0	0	115.1
2356	T	25.7	Very low	26.5	Very low	119.4 Å²	119.4	113.8 Å²	113.8	73%	0.733	70%	0.704	S	S	*	*			trans	58.5	148.5	153.2	54	0	0	0	0	118.8
2357	T	26.5	Very low	26.4	Very low	113.6 Å²	113.6	113.9 Å²	113.9	70%	0.697	70%	0.7	S	S	*	*			trans	78.8	118	152	50.2	0	0	0	0	116.6	T2359 T2362 V2363	T2357-T2359 HydrophobicContact CG2-CG2 4.42Å; T2357-T2362 HydrophobicContact CG2-CG2 4.11Å; T2357-V2363 HydrophobicContact CG2-CG1 3.53Å
2358	S	25.7	Very low	26.5	Very low	101.2 Å²	101.2	115.2 Å²	115.2	71%	0.708	70%	0.699	S	S	*	*				157.6	138.3	77	-60.4	0	0	0	0	116.2
2359	T	28.6	Very low	26.2	Very low	110.6 Å²	110.6	116.2 Å²	116.2	68%	0.679	70%	0.699	S	S	*	*				88	139.4	104.5	39.9	0	0	0	0	115.6	T2357 V2361 T2362	T2357-T2359 HydrophobicContact CG2-CG2 4.42Å; T2359-V2361 HydrophobicContact CG2-CG2 4.27Å; T2359-T2362 HydrophobicContact CG2-CG2 3.6Å
2360	T	26.5	Very low	26.2	Very low	131 Å²	131	114.6 Å²	114.6	80%	0.804	69%	0.694	S	S	*	*				160.2	133.2	71	34.4	0	0	0	0	113.3
2361	V	25.2	Very low	25.8	Very low	121.2 Å²	121.2	117 Å²	117	74%	0.735	70%	0.702	S	S	*	*			trans	-160.1	137	144.5	148.8	0	0	0	0	108.1	T2359	T2359-V2361 HydrophobicContact CG2-CG2 4.27Å
2362	T	25.4	Very low	25.6	Very low	112.4 Å²	112.4	114.6 Å²	114.6	69%	0.69	70%	0.697	S	S	*	*			cis	-176.2	149.1	7.5	30.4	0	0	0	0	109.1	T2357 T2359	T2357-T2362 HydrophobicContact CG2-CG2 4.11Å; T2359-T2362 HydrophobicContact CG2-CG2 3.6Å
2363	V	24.5	Very low	25.5	Very low	114.2 Å²	114.2	116.8 Å²	116.8	69%	0.692	70%	0.7	S	S	*	*				-143.2	137.4	94.8	-147.8	0	0	0	0	108.2	T2357	T2357-V2363 HydrophobicContact CG2-CG1 3.53Å
2364	T	27.1	Very low	25.5	Very low	119.2 Å²	119.2	117 Å²	117	73%	0.731	70%	0.701	S	S	*	*				169.6	134.4	100.2	34.5	0	0	0	0	112.5
2365	S	25.1	Very low	25.6	Very low	91.2 Å²	91.2	118 Å²	118	64%	0.638	70%	0.699	S	S	*	*				64.7	136.4	50.5	75.2	0	0	0	0	114.7
2366	C	26.1	Very low	25.7	Very low	102.2 Å²	102.2	117.8 Å²	117.8	69%	0.691	70%	0.697	S	S	*	*				-165	163.4	56.7	-97.9	0	0	0	0	112.2	T2368	C2366-T2368 PolarHBondContact O-N 3Å
2367	T	25	Very low	25.8	Very low	109.8 Å²	109.8	117.2 Å²	117.2	67%	0.674	69%	0.694	S	S	*	*				115.7	143.8	58.3	51.3	0	0	0	0	113.4	F2944	T2367-F2944 PolarHBondContact OG1-O 3.03Å
2368	T	25.9	Very low	25.9	Very low	107.6 Å²	107.6	119.2 Å²	119.2	66%	0.66	70%	0.695	S	S	*	*			trans	150.1	162.3	142.4	37.3	0	0	0	0	114.1	C2366 P2943 F2944 T2945	C2366-T2368 PolarHBondContact O-N 3Å; T2368-P2943 HydrophobicContact CG2-CB 3.69Å; T2368-F2944 WeakPolarHBondContact CG2-O 3.48Å; T2368-T2945 HydrophobicContact CG2-CG2 4.47Å; T2368-T2945 VanDerWaalsContact OG1-CA 3.3Å; T2368-T2945 WeakPolarHBondContact OG1-CA 3.16Å; T2368-T2945 WeakPolarHBondContact OG1-CG2 3.33Å
2369	D	25.4	Very low	26.1	Very low	123.2 Å²	123.2	120.3 Å²	120.3	66%	0.659	70%	0.698	S	S	*	*				-139.6	171.2	90.1	-97.4	-37.9	0	0	0	114.7	T2945	D2369-T2945 HydrophobicContact CB-CG2 4.49Å; D2369-T2945 WeakPolarHBondContact OD2-CB 3.44Å; D2369-T2945 WeakPolarHBondContact OD2-CG2 3.44Å; D2369-T2945 PolarHBondContact OD2-OG1 3.21Å
2370	T	26.1	Very low	26.2	Very low	105.6 Å²	105.6	120 Å²	120	65%	0.648	70%	0.7	S	S	*	*			trans	-88.8	151.3	135.1	24.1	0	0	0	0	116.7
2371	L	25	Very low	26.3	Very low	141.4 Å²	141.4	118.6 Å²	118.6	74%	0.74	70%	0.696	S	S	*	*			trans	30.3	145.8	150.7	-86.5	131.5	0	0	0	118.5	P2309	P2309-L2371 HydrophobicContact CB-CD2 3.58Å; P2309-L2371 HydrophobicContact CG-CD2 3.76Å
2372	S	22.4	Very low	26.5	Very low	87 Å²	87	120.7 Å²	120.7	61%	0.608	70%	0.695	S	S	*	*			trans	9.2	138.6	150.4	64.4	0	0	0	0	117.8
2373	Y	24.7	Very low	26.7	Very low	198.4 Å²	198.4	120.3 Å²	120.3	78%	0.778	69%	0.694	S	S	*	*			trans	-171.6	139.7	147.6	-93.4	-80.9	0	0	0	109.8	N2375 T2377	Y2373-N2375 PolarHBondContact O-N 3.4Å; Y2373-T2377 HydrophobicContact CE1-CG2 4.2Å; Y2373-T2377 VanDerWaalsContact OH-CG2 3.25Å; Y2373-T2377 WeakPolarHBondContact OH-CG2 2.91Å
2374	L	25	Very low	26.9	Very low	136 Å²	136	121.5 Å²	121.5	71%	0.712	70%	0.696	S	S	*	*			cis	-144.3	140	-8	-115.1	135.4	0	0	0	108.1
2375	N	26.9	Very low	26.8	Very low	135.4 Å²	135.4	121.8 Å²	121.8	72%	0.724	69%	0.693	S	S	*	*			trans	110	132.7	141.8	-75.2	-31	0	0	0	114.8	Y2373 K2382	Y2373-N2375 PolarHBondContact O-N 3.4Å; N2375-K2382 PolarHBondContact OD1-NZ 3.04Å
2376	S	27.2	Very low	27.1	Very low	92.8 Å²	92.8	123.9 Å²	123.9	65%	0.649	70%	0.696	S	S	*	*			cis	159.5	126.5	43.4	161.1	0	0	0	0	113.3	K2382	S2376-K2382 PolarHBondContact O-NZ 2.82Å
2377	T	27.2	Very low	27.2	Very low	106.6 Å²	106.6	126.3 Å²	126.3	65%	0.654	70%	0.697	S	S	*	*			trans	-18.6	133.8	141.5	45.4	0	0	0	0	114.4	Y2373 K2382	Y2373-T2377 HydrophobicContact CE1-CG2 4.2Å; Y2373-T2377 VanDerWaalsContact OH-CG2 3.25Å; Y2373-T2377 WeakPolarHBondContact OH-CG2 2.91Å; T2377-K2382 HydrophobicContact CG2-CD 4.49Å
2378	Q	29.3	Very low	27.4	Very low	156.6 Å²	156.6	127.6 Å²	127.6	73%	0.732	70%	0.7	S	S	*	*				108.7	138	99	-80.8	176.6	-10.4	0	0	114.1
2379	T	29.6	Very low	27.6	Very low	123 Å²	123	128.1 Å²	128.1	76%	0.755	70%	0.698	S	S	*	*			trans	-98.5	145	133.4	43.8	0	0	0	0	114.7
2380	S	29.8	Very low	27.6	Very low	104.4 Å²	104.4	126.1 Å²	126.1	73%	0.73	69%	0.693	S	S	*	*			trans	116	138.2	148.2	80.8	0	0	0	0	114.3
2381	S	29.9	Very low	27.7	Very low	102 Å²	102	128.5 Å²	128.5	71%	0.713	70%	0.695	S	S	*	*				48.2	126.8	123.7	60.8	0	0	0	0	116.3
2382	K	27.9	Very low	28.3	Very low	165 Å²	165	126.6 Å²	126.6	72%	0.717	69%	0.691	S	S	*	*				32.8	156.3	107.7	-90.2	-168	174	-177.2	0	112.8	N2375 S2376 T2377 E2923	N2375-K2382 PolarHBondContact OD1-NZ 3.04Å; S2376-K2382 PolarHBondContact O-NZ 2.82Å; T2377-K2382 HydrophobicContact CG2-CD 4.49Å; K2382-E2923 PolarHBondContact NZ-O 3.21Å
2383	P	30.7	Very low	28.6	Very low	104.2 Å²	104.2	129.3 Å²	129.3	68%	0.677	69%	0.694	S	S	*	*			cis	-136	-174.6	-10.1	41.8	-25.2	0	0	0	115.1
2384	L	27.6	Very low	29	Very low	139 Å²	139	126.8 Å²	126.8	73%	0.728	69%	0.689	S	S	*	*			trans	48.1	133.5	162.3	-77.7	93.8	0	0	0	117.5	I2386	L2384-I2386 HydrophobicContact CD2-CD1 3.99Å
2385	D	26.4	Very low	29.4	Very low	126.4 Å²	126.4	127.3 Å²	127.3	68%	0.676	69%	0.688	S	S	*	*				70.9	144.4	67.9	-157.7	14.6	0	0	0	113.8	Q2387	D2385-Q2387 PolarHBondContact OD1-N 3.48Å; D2385-Q2387 PolarHBondContact OD2-NE2 3.42Å
2386	I	30.5	Very low	29.8	Very low	135.4 Å²	135.4	126.9 Å²	126.9	69%	0.694	69%	0.685	S	S	*	*			trans	167	122.1	151.8	-74.3	170	0	0	0	110.1	L2384	L2384-I2386 HydrophobicContact CD2-CD1 3.99Å
2387	Q	29.2	Very low	30	Very low	153.4 Å²	153.4	125.5 Å²	125.5	72%	0.717	69%	0.685	S	S	*	*			trans	92.1	132.6	146.6	-72.7	178.7	24.9	0	0	113.5	D2385	D2385-Q2387 PolarHBondContact OD1-N 3.48Å; D2385-Q2387 PolarHBondContact OD2-NE2 3.42Å
2388	N	28.6	Very low	30.1	Very low	136 Å²	136	129.2 Å²	129.2	73%	0.727	69%	0.692	S	S	*	*				73.9	158.4	107.8	-96.7	-18.4	0	0	0	113.9
2389	I	29.4	Very low	30.1	Very low	119 Å²	119	126.7 Å²	126.7	61%	0.61	69%	0.688	S	S	*	*				123.2	130.3	122.7	-57.7	149.6	0	0	0	113.1	P1982 P1983 C2904 G2905 M2906	P1982-I2389 VanDerWaalsContact O-CD1 3.3Å; P1982-I2389 WeakPolarHBondContact O-CD1 3.16Å; P1983-I2389 CarbonylContact O-C 3.12Å; P1983-I2389 WeakPolarHBondContact O-CB 3.5Å; P1983-I2389 WeakPolarHBondContact O-CG2 2.86Å; P1983-I2389 VanDerWaalsContact O-O 3.04Å; I2389-C2904 VanDerWaalsContact CG2-CA 3.44Å; I2389-G2905 CarbonylContact C-O 2.98Å; I2389-G2905 WeakPolarHBondContact CA-O 3.23Å; I2389-G2905 WeakPolarHBondContact CB-O 3.44Å; I2389-G2905 VanDerWaalsContact CG1-O 3.3Å; I2389-G2905 WeakPolarHBondContact CG1-O 3.37Å; I2389-G2905 WeakPolarHBondContact CG2-O 3.24Å; I2389-M2906 HydrophobicContact CG1-CG 4.33Å
2390	S	27.1	Very low	30.1	Very low	80.2 Å²	80.2	126.1 Å²	126.1	56%	0.561	68%	0.684	S	S	*	*				159.7	155.8	99.7	63	0	0	0	0	117.3	V1984 G2905	V1984-S2390 VanDerWaalsContact C-OG 3.29Å; V1984-S2390 PolarHBondContact N-OG 3.24Å; V1984-S2390 VanDerWaalsContact N-OG 3.11Å; V1984-S2390 WeakPolarHBondContact O-CB 3.01Å; V1984-S2390 PolarHBondContact O-OG 2.75Å; S2390-G2905 CarbonylContact C-O 3.58Å; S2390-G2905 WeakPolarHBondContact CA-O 3.44Å; S2390-G2905 PolarHBondContact N-O 3.49Å
2391	F	27.5	Very low	30.1	Very low	156.2 Å²	156.2	128.2 Å²	128.2	69%	0.685	69%	0.686	S	S	*	*			trans	-122.6	170.6	174.1	-78.3	-66.2	0	0	0	109.2	M2906 D2907	F2391-M2906 VanDerWaalsContact CD2-C 3.46Å; F2391-M2906 WeakPolarHBondContact CD2-O 3.49Å; F2391-M2906 WeakPolarHBondContact CE2-O 3.5Å; F2391-D2907 HydrophobicContact CD1-CB 3.79Å; F2391-D2907 HydrophobicContact CD2-CB 4.36Å; F2391-D2907 HydrophobicContact CE1-CB 3.45Å; F2391-D2907 VanDerWaalsContact CE1-CB 3.45Å; F2391-D2907 WeakPolarHBondContact CE1-OD1 3.39Å; F2391-D2907 HydrophobicContact CE2-CB 4.04Å; F2391-D2907 HydrophobicContact CG-CB 4.27Å; F2391-D2907 HydrophobicContact CZ-CB 3.58Å; F2391-D2907 VanDerWaalsContact CZ-CG 3.44Å; F2391-D2907 WeakPolarHBondContact CZ-OD1 2.88Å
2392	P	36.6	Very low	30.2	Very low	102 Å²	102	127.6 Å²	127.6	66%	0.662	68%	0.682	S	S	*	*			cis	-123.7	166	15.4	29.6	-11.9	0	0	0	112.7	T3248	P2392-T3248 HydrophobicContact CG-CG2 4.31Å
2393	E	29.6	Very low	30.4	Very low	142.6 Å²	142.6	126.9 Å²	126.9	67%	0.666	69%	0.686	S	S	*	*				-120.6	145.1	127.3	-73.1	-179.9	139.7	0	0	114.7	V2399 T3248	E2393-V2399 HydrophobicContact CB-CG2 3.84Å; E2393-V2399 HydrophobicContact CG-CG1 4.32Å; E2393-V2399 HydrophobicContact CG-CG2 3.96Å; E2393-V2399 VanDerWaalsContact OE1-CG1 3.23Å; E2393-V2399 WeakPolarHBondContact OE1-CG1 3.3Å; E2393-T3248 PolarHBondContact O-OG1 2.81Å
2394	E	33.5	Very low	30.3	Very low	147.2 Å²	147.2	127.7 Å²	127.7	69%	0.688	69%	0.69	S	S	*	*				-166.9	166.2	124.9	-101.4	-166.6	172.3	0	0	114.6	P3245 P3247 T3248	E2394-P3245 WeakPolarHBondContact OE1-CG 3.13Å; E2394-P3247 HydrophobicContact CB-CB 4.27Å; E2394-P3247 WeakPolarHBondContact OE2-CA 3.16Å; E2394-T3248 WeakPolarHBondContact CG-OG1 3.36Å
2395	E	33.7	Very low	30.3	Very low	146.6 Å²	146.6	129 Å²	129	69%	0.685	69%	0.691	S	S	*	*			trans	-157.5	157.2	-144.7	-92.7	-143.6	125.6	0	0	116.3
2396	I	34	Very low	30.3	Very low	126.4 Å²	126.4	129.4 Å²	129.4	65%	0.648	69%	0.693	S	S	*	*			trans	28	138.9	133.1	-43.2	163.5	0	0	0	118.6	F2398 V2399	I2396-F2398 HydrophobicContact CG2-CD2 4.25Å; I2396-F2398 HydrophobicContact CG2-CE2 3.54Å; I2396-F2398 HydrophobicContact CG2-CZ 4.17Å; I2396-F2398 WeakPolarHBondContact O-CA 3.31Å; I2396-V2399 WeakPolarHBondContact CD1-O 3.24Å; I2396-V2399 PolarHBondContact O-N 3.18Å
2397	G	32.8	Very low	30	Very low	63.8 Å²	63.8	128 Å²	128	66%	0.658	70%	0.695	S	S	*	*				-174.5	121	124	0	0	0	0	0	116.5
2398	F	29	Very low	29.8	Very low	184.8 Å²	184.8	127 Å²	127	81%	0.811	70%	0.699	S	S	*	*			trans	75.7	135.6	167.6	-72.1	-81	0	0	0	118.6	I2396	I2396-F2398 HydrophobicContact CG2-CD2 4.25Å; I2396-F2398 HydrophobicContact CG2-CE2 3.54Å; I2396-F2398 HydrophobicContact CG2-CZ 4.17Å; I2396-F2398 WeakPolarHBondContact O-CA 3.31Å
2399	V	29.6	Very low	29.7	Very low	104 Å²	104	125.8 Å²	125.8	63%	0.63	70%	0.696	S	S	*	*				80.8	120.8	112.3	165.4	0	0	0	0	117	E2393 I2396	E2393-V2399 HydrophobicContact CB-CG2 3.84Å; E2393-V2399 HydrophobicContact CG-CG1 4.32Å; E2393-V2399 HydrophobicContact CG-CG2 3.96Å; E2393-V2399 VanDerWaalsContact OE1-CG1 3.23Å; E2393-V2399 WeakPolarHBondContact OE1-CG1 3.3Å; I2396-V2399 WeakPolarHBondContact CD1-O 3.24Å; I2396-V2399 PolarHBondContact O-N 3.18Å
2400	T	29.3	Very low	29.5	Very low	110.4 Å²	110.4	124.3 Å²	124.3	68%	0.677	70%	0.697	S	S	*	*				-150.7	144.9	77.3	45	0	0	0	0	116.7
2401	D	30.2	Very low	29.4	Very low	146.75 Å²	146.75	125.6 Å²	125.6	79%	0.785	71%	0.706	S	S	*	*				127.2	143.3	127.5	-94	-20.3	0	0	0	117.6
2402	S	30.3	Very low	29.3	Very low	89.25 Å²	89.25	124 Å²	124	62%	0.624	71%	0.709	S	S	*	*				116	128.9	98.5	-32.1	0	0	0	0	115.3
2403	N	32.2	Very low	28.8	Very low	150.5 Å²	150.5	123.9 Å²	123.9	81%	0.805	71%	0.71	S	S	*	*				130.7	125.1	104.4	-77.6	-45.9	0	0	0	117.8
2404	V	29.3	Very low	28.5	Very low	122.75 Å²	122.75	121.4 Å²	121.4	74%	0.744	71%	0.707	S	S	*	*				73.5	118.4	127.7	175.6	0	0	0	0	114.3
2405	H	28.3	Very low	28.1	Very low	164.5 Å²	164.5	121.3 Å²	121.3	76%	0.762	71%	0.708	S	S	*	*				-103.1	149.6	92.2	-102.6	-87	0	0	0	113.3
2406	L	25.7	Very low	27.7	Very low	135.75 Å²	135.75	119.4 Å²	119.4	71%	0.711	71%	0.707	S	S	*	*				35.8	140.1	93.3	-82.8	161.7	0	0	0	114	V2408	L2406-V2408 HydrophobicContact CD2-CB 4.21Å; L2406-V2408 HydrophobicContact CD2-CG2 3.45Å; L2406-V2408 VanDerWaalsContact CD2-CG2 3.45Å
2407	S	23.8	Very low	27.2	Very low	106.5 Å²	106.5	122.3 Å²	122.3	75%	0.745	71%	0.711	S	S	*	*				-162.1	130.2	90.3	-81.3	0	0	0	0	112.8
2408	V	25.7	Very low	27	Very low	131.5 Å²	131.5	124.8 Å²	124.8	80%	0.797	72%	0.716	S	S	*	*			trans	-96.9	141.2	164.1	173.7	0	0	0	0	109.6	L2406	L2406-V2408 HydrophobicContact CD2-CB 4.21Å; L2406-V2408 HydrophobicContact CD2-CG2 3.45Å; L2406-V2408 VanDerWaalsContact CD2-CG2 3.45Å
2409	V	27	Very low	27	Very low	110.75 Å²	110.75	121.2 Å²	121.2	67%	0.671	71%	0.705	S	S	*	*			trans	155.5	122.7	145.9	-179	0	0	0	0	112.2
2410	S	23.4	Very low	27	Very low	88.5 Å²	88.5	121.3 Å²	121.3	62%	0.619	70%	0.702	S	S	*	*			trans	-2.6	151	155	67.4	0	0	0	0	116.3	D2172 T2412	D2172-S2410 PolarHBondContact OD1-OG 3.24Å; S2410-T2412 PolarHBondContact O-N 3.29Å; S2410-T2412 PolarHBondContact OG-OG1 3.25Å
2411	S	26.5	Very low	26.9	Very low	107.5 Å²	107.5	121.3 Å²	121.3	75%	0.752	70%	0.698	S	S	*	*				-141.6	153.3	85.1	51.8	0	0	0	0	111.4
2412	T	24.7	Very low	26.8	Very low	122.5 Å²	122.5	120.7 Å²	120.7	75%	0.752	69%	0.694	S	S	*	*			trans	-120	143.4	149.1	32	0	0	0	0	113.8	S2410	S2410-T2412 PolarHBondContact O-N 3.29Å; S2410-T2412 PolarHBondContact OG-OG1 3.25Å
2413	C	25.2	Very low	26.7	Very low	99.75 Å²	99.75	120.5 Å²	120.5	67%	0.674	69%	0.692	S	S	*	*			trans	-147.1	131.2	135.4	-157	0	0	0	0	112.2	Y2176	Y2176-C2413 VanDerWaalsContact CD2-CA 3.44Å
2414	C	24.8	Very low	26.6	Very low	89.5 Å²	89.5	116.4 Å²	116.4	61%	0.605	68%	0.68	S	S	*	*				121.8	119.3	123.8	-55.1	0	0	0	0	114.5	Y2176 Y2177	Y2176-C2414 HydrophobicContact CD2-CB 3.47Å; Y2176-C2414 VanDerWaalsContact CD2-CB 3.47Å; Y2176-C2414 HydrophobicContact CG-CB 3.55Å; Y2177-C2414 WeakPolarHBondContact CB-SG 3.4Å; Y2177-C2414 HydrophobicContact CG-CB 4.38Å
2415	M	25.2	Very low	26.6	Very low	145 Å²	145	115 Å²	115	71%	0.714	67%	0.671	S	S	*	*			cis	94.3	124.3	31.8	-91.9	-89.6	178.5	0	0	116	Y2176 Y2177 Y2417	Y2176-M2415 CarbonylContact C-O 3.52Å; Y2176-M2415 WeakPolarHBondContact CA-O 3.34Å; Y2176-M2415 WeakPolarHBondContact CB-O 3.44Å; Y2176-M2415 HydrophobicContact CD1-CB 3.57Å; Y2176-M2415 HydrophobicContact CD1-CG 3.76Å; Y2176-M2415 HydrophobicContact CD1-SD 3.87Å; Y2176-M2415 HydrophobicContact CE1-SD 4.31Å; Y2176-M2415 HydrophobicContact CG-CB 3.99Å; Y2176-M2415 HydrophobicContact CG-CG 4.46Å; Y2177-M2415 PolarHBondContact N-O 3.24Å; Y2177-M2415 VanDerWaalsContact N-O 3.13Å; Y2177-M2415 CarbonylContact O-C 3.51Å; Y2177-M2415 WeakPolarHBondContact O-CA 3.43Å; Y2177-M2415 PolarHBondContact O-N 3.39Å; Y2177-M2415 VanDerWaalsContact O-N 3.16Å; M2415-Y2417 HydrophobicContact CE-CE2 4.37Å; M2415-Y2417 HydrophobicContact SD-CD2 3.83Å; M2415-Y2417 HydrophobicContact SD-CE2 3.9Å
2416	T	25	Very low	26.6	Very low	107 Å²	107	112.6 Å²	112.6	66%	0.656	66%	0.664	S	S	*	*			trans	163.3	121.8	143.6	28.4	0	0	0	0	115.1	Y2177	Y2177-T2416 WeakPolarHBondContact O-CA 3.46Å; Y2177-T2416 WeakPolarHBondContact O-CB 3.02Å; Y2177-T2416 PolarHBondContact O-N 3.06Å; Y2177-T2416 PolarHBondContact O-OG1 2.72Å
2417	Y	22.8	Very low	26.9	Very low	186.5 Å²	186.5	110.7 Å²	110.7	73%	0.731	66%	0.662	S	S	*	*			trans	-76.4	155.6	162.5	-74.4	-68.6	0	0	0	112.7	M2415 N2419	M2415-Y2417 HydrophobicContact CE-CE2 4.37Å; M2415-Y2417 HydrophobicContact SD-CD2 3.83Å; M2415-Y2417 HydrophobicContact SD-CE2 3.9Å; Y2417-N2419 WeakPolarHBondContact CD1-OD1 3.38Å
2418	P	29.2	Very low	27.1	Very low	117.5 Å²	117.5	113.2 Å²	113.2	76%	0.763	67%	0.666	S	S	*	*			cis	-113.2	-176.4	49.2	23.6	-7.5	0	0	0	116.2
2419	N	27.9	Very low	27.3	Very low	108.75 Å²	108.75	111.8 Å²	111.8	58%	0.582	66%	0.662	S	S	*	*			trans	168.9	147.4	-133.6	-86.2	15.8	0	0	0	112.6	N2026 Y2417 S2588	N2026-N2419 PolarHBondContact ND2-O 3.33Å; N2026-N2419 PolarHBondContact OD1-O 3.38Å; Y2417-N2419 WeakPolarHBondContact CD1-OD1 3.38Å; N2419-S2588 WeakPolarHBondContact O-CB 3.45Å
2420	N	29.4	Very low	27.3	Very low	107 Å²	107	114.3 Å²	114.3	57%	0.572	67%	0.671	S	S	*	*				-171.6	140.2	53.1	-85.1	-26.9	0	0	0	112.5	N2026 I2292 L2422 Y2587	N2026-N2420 WeakPolarHBondContact CB-O 3.46Å; N2026-N2420 PolarHBondContact ND2-O 2.79Å; I2292-N2420 VanDerWaalsContact O-CB 3.31Å; I2292-N2420 WeakPolarHBondContact O-CB 3.42Å; I2292-N2420 PolarHBondContact O-ND2 3.44Å; N2420-L2422 PolarHBondContact O-N 2.85Å; N2420-L2422 VanDerWaalsContact O-N 3.15Å; N2420-Y2587 HydrophobicContact CB-CD1 3.36Å; N2420-Y2587 HydrophobicContact CB-CE1 3.87Å; N2420-Y2587 HydrophobicContact CB-CG 4.08Å
2421	N	28.5	Very low	27.5	Very low	110 Å²	110	118.4 Å²	118.4	59%	0.588	68%	0.68	S	S	*	*			trans	2.8	129.6	143.2	-92.2	-24.6	0	0	0	114.9	N2026 I2027 P2290 Y2587	N2026-N2421 VanDerWaalsContact CB-C 3.4Å; I2027-N2421 VanDerWaalsContact CG2-OD1 3.24Å; I2027-N2421 WeakPolarHBondContact CG2-OD1 3.12Å; P2290-N2421 WeakPolarHBondContact O-CB 2.96Å; P2290-N2421 PolarHBondContact O-ND2 2.93Å; N2421-Y2587 HydrophobicContact CB-CD2 4.27Å; N2421-Y2587 HydrophobicContact CB-CE2 4.1Å; N2421-Y2587 PolarHBondContact ND2-OH 2.88Å
2422	L	27.7	Very low	27.6	Very low	133.25 Å²	133.25	118 Å²	118	70%	0.698	68%	0.678	S	S	*	*				-95.4	140.7	116.7	-126.8	62.1	0	0	0	110.3	N2026 I2027 N2420 A2424	N2026-L2422 WeakPolarHBondContact CA-O 3.35Å; I2027-L2422 HydrophobicContact CG2-CD1 4.04Å; N2420-L2422 PolarHBondContact O-N 2.85Å; N2420-L2422 VanDerWaalsContact O-N 3.15Å; L2422-A2424 PolarHBondContact O-N 3.41Å
2423	S	28.5	Very low	27.7	Very low	84.75 Å²	84.75	118.2 Å²	118.2	59%	0.593	68%	0.678	S	S	*	*			cis	-144.8	156	18.2	13.9	0	0	0	0	112.1	I2027	I2027-S2423 CarbonylContact O-C 3.58Å; I2027-S2423 VanDerWaalsContact O-C 3.26Å; I2027-S2423 WeakPolarHBondContact O-CA 3.13Å; I2027-S2423 PolarHBondContact O-N 3.13Å; I2027-S2423 VanDerWaalsContact O-O 3.12Å
2424	A	29.7	Very low	27.8	Very low	66 Å²	66	120.7 Å²	120.7	55%	0.545	68%	0.684	S	S	.	*			trans	-142.6	144.1	162.3	0	0	0	0	0	115.3	N2028 L2422	N2028-A2424 WeakPolarHBondContact O-CA 3.13Å; L2422-A2424 PolarHBondContact O-N 3.41Å
2425	V	29.1	Very low	28.1	Very low	93.25 Å²	93.25	121.3 Å²	121.3	57%	0.565	69%	0.686	S	S	*	*				139.5	133.3	97.1	161	0	0	0	0	115.4	I2032 D2033	I2032-V2425 VanDerWaalsContact C-CG2 3.42Å; D2033-V2425 HydrophobicContact CB-CB 4.14Å; D2033-V2425 HydrophobicContact CB-CG1 3.93Å; D2033-V2425 HydrophobicContact CB-CG2 3.55Å; D2033-V2425 VanDerWaalsContact OD2-CG2 3.25Å; D2033-V2425 WeakPolarHBondContact OD2-CG2 3.15Å
2426	N	28.8	Very low	28.2	Very low	114 Å²	114	121.3 Å²	121.3	61%	0.61	69%	0.689	S	S	*	*			trans	9.4	154.4	161.2	-66.6	-25.8	0	0	0	117.7	S2031 I2032	S2031-N2426 VanDerWaalsContact CA-OD1 3.24Å; S2031-N2426 WeakPolarHBondContact CA-OD1 2.72Å; S2031-N2426 WeakPolarHBondContact CB-OD1 3.25Å; I2032-N2426 VanDerWaalsContact N-CG 3.31Å; I2032-N2426 PolarHBondContact N-ND2 2.82Å; I2032-N2426 VanDerWaalsContact N-ND2 3.18Å
2427	S	32.1	Very low	28.4	Very low	96 Å²	96	120.6 Å²	120.6	67%	0.671	69%	0.688	S	S	*	*				138.5	143.3	84.8	42.6	0	0	0	0	117.4
2428	L	27.9	Very low	28.7	Very low	157.75 Å²	157.75	117.6 Å²	117.6	83%	0.826	69%	0.689	S	S	*	*				-98.4	158.8	62.8	-62.7	110.8	0	0	0	114.1
2429	S	29.3	Very low	28.5	Very low	103.5 Å²	103.5	117 Å²	117	72%	0.724	68%	0.683	S	S	*	*			trans	-132.1	152.4	154.6	34.4	0	0	0	0	111.6
2430	L	27.6	Very low	28.4	Very low	161.25 Å²	161.25	118.5 Å²	118.5	84%	0.844	69%	0.691	S	S	*	*			trans	-111.2	122.4	160.2	-115.3	89.5	0	0	0	114.4
2431	E	28.4	Very low	28.3	Very low	176 Å²	176	120.5 Å²	120.5	82%	0.822	70%	0.701	S	S	*	*			trans	96.9	156.3	141.6	-83.8	-170.4	171.3	0	0	113.4
2432	S	27	Very low	28.2	Very low	99 Å²	99	119.8 Å²	119.8	69%	0.692	71%	0.705	S	S	*	*				-150.4	165.8	-96.1	62.6	0	0	0	0	114.5	I2434	S2432-I2434 PolarHBondContact O-N 3.21Å
2433	T	27.3	Very low	28.2	Very low	125.5 Å²	125.5	120.3 Å²	120.3	77%	0.77	71%	0.707	S	S	*	*			trans	-159.2	125.2	153.8	38.5	0	0	0	0	113.6
2434	I	26.7	Very low	28.1	Very low	153.25 Å²	153.25	123.1 Å²	123.1	79%	0.786	71%	0.714	S	S	*	*				21.2	139.7	103.9	-37.7	168.9	0	0	0	115	S2432 L2436	S2432-I2434 PolarHBondContact O-N 3.21Å; I2434-L2436 HydrophobicContact CG2-CB 4.35Å
2435	P	32.3	Very low	28.1	Very low	101 Å²	101	124.3 Å²	124.3	66%	0.656	72%	0.718	S	S	*	*				-134.5	166.5	88	34.5	-17.2	0	0	0	117.6
2436	L	27.8	Very low	28.1	Very low	146.75 Å²	146.75	127 Å²	127	77%	0.768	73%	0.73	S	S	*	*			trans	71.6	120	133.9	-105.3	75.7	0	0	0	119	S2008 I2434	S2008-L2436 WeakPolarHBondContact O-CD1 3.17Å; I2434-L2436 HydrophobicContact CG2-CB 4.35Å
2437	S	28.9	Very low	28.1	Very low	92.5 Å²	92.5	124.8 Å²	124.8	65%	0.647	73%	0.734	S	S	*	*				164	140.8	100	31.4	0	0	0	0	115.1	D2006 S2008	D2006-S2437 WeakPolarHBondContact O-CB 3.28Å; S2008-S2437 VanDerWaalsContact N-CA 3.32Å; S2008-S2437 WeakPolarHBondContact OG-CA 3.35Å; S2008-S2437 PolarHBondContact OG-N 3.27Å
2438	T	28.5	Very low	27.8	Very low	122 Å²	122	127.6 Å²	127.6	75%	0.748	74%	0.74	S	S	*	*			trans	143.6	139.1	139.9	-1.4	0	0	0	0	117.2	D2006 H2007	D2006-T2438 WeakPolarHBondContact O-CA 3.11Å; D2006-T2438 WeakPolarHBondContact O-CG2 3.36Å; D2006-T2438 PolarHBondContact O-OG1 3.31Å; H2007-T2438 CarbonylContact O-C 2.97Å; H2007-T2438 VanDerWaalsContact O-C 3.23Å; H2007-T2438 WeakPolarHBondContact O-CA 3.45Å
2439	V	25.3	Very low	27.6	Very low	105.75 Å²	105.75	127.1 Å²	127.1	64%	0.641	74%	0.737	S	S	*	*			trans	101	116.5	166.8	-148.9	0	0	0	0	116.3	H2007 S2008 T2009	H2007-V2439 PolarHBondContact O-N 3.36Å; S2008-V2439 VanDerWaalsContact CA-CG2 3.5Å; T2009-V2439 HydrophobicContact CG2-CG2 3.78Å; T2009-V2439 WeakPolarHBondContact OG1-CG2 3.26Å
2440	N	26.6	Very low	27.3	Very low	141 Å²	141	127.9 Å²	127.9	75%	0.754	74%	0.741	S	S	*	*			trans	108.6	139.9	150.3	-79.1	-31.1	0	0	0	114.8
2441	L	27.2	Very low	27.2	Very low	147.75 Å²	147.75	125.2 Å²	125.2	77%	0.774	74%	0.736	S	S	*	*				134.2	120.2	59.9	-128	84.8	0	0	0	113.8
2442	S	26	Very low	26.9	Very low	95.25 Å²	95.25	122.3 Å²	122.3	67%	0.666	73%	0.73	S	S	*	*				136.2	129.9	127.9	6.8	0	0	0	0	118
2443	L	26.3	Very low	26.8	Very low	144 Å²	144	125.1 Å²	125.1	75%	0.754	74%	0.735	S	S	*	*				48.4	121.7	113.1	-67.9	153.4	0	0	0	116.3
2444	I	27.9	Very low	26.8	Very low	143 Å²	143	123.2 Å²	123.2	73%	0.733	73%	0.732	S	S	*	*				65.9	125.1	92.9	-72.7	167.3	0	0	0	112.9
2445	S	28.5	Very low	26.9	Very low	90.75 Å²	90.75	122.3 Å²	122.3	64%	0.635	73%	0.729	S	S	*	*			cis	-179.6	173.2	41.2	80.2	0	0	0	0	112.8
2446	D	29.3	Very low	26.7	Very low	151 Å²	151	123.3 Å²	123.3	81%	0.807	73%	0.727	S	S	*	*			trans	13.6	134.8	137.2	-65.8	-57.1	0	0	0	116.2
2447	G	28.2	Very low	26.8	Very low	68.25 Å²	68.25	120.6 Å²	120.6	70%	0.704	72%	0.721	S	S	*	*				145.5	118.1	120.4	0	0	0	0	0	112.5
2448	I	26.3	Very low	26.7	Very low	155.25 Å²	155.25	123.1 Å²	123.1	80%	0.796	73%	0.727	S	S	*	*				88	124.2	94.4	-60.7	171.9	0	0	0	111.9	C2450	I2448-C2450 PolarHBondContact O-N 2.82Å
2449	I	24.7	Very low	26.6	Very low	147.25 Å²	147.25	122 Å²	122	76%	0.755	72%	0.724	S	S	*	*				174.9	140.4	103.9	-94.9	170.2	0	0	0	112.2	S2451	I2449-S2451 PolarHBondContact O-OG 2.83Å
2450	C	23	Very low	26.7	Very low	118.75 Å²	118.75	123.2 Å²	123.2	80%	0.802	73%	0.732	S	S	*	*			trans	30.9	137.8	167.7	-59.2	0	0	0	0	116.4	I2448	I2448-C2450 PolarHBondContact O-N 2.82Å
2451	S	23.8	Very low	26.6	Very low	105.5 Å²	105.5	122.4 Å²	122.4	74%	0.738	73%	0.732	S	S	*	*				-168.4	141.1	93.4	-17.7	0	0	0	0	112.4	I2449	I2449-S2451 PolarHBondContact O-OG 2.83Å
2452	V	23.8	Very low	26.5	Very low	115.75 Å²	115.75	120.8 Å²	120.8	70%	0.702	73%	0.729	S	S	*	*				70.8	115.8	126.7	-177.1	0	0	0	0	116.1	I2456	V2452-I2456 HydrophobicContact CG1-CD1 3.52Å; V2452-I2456 HydrophobicContact CG1-CG1 3.64Å
2453	I	25.1	Very low	26.4	Very low	157.5 Å²	157.5	122.4 Å²	122.4	81%	0.808	74%	0.735	S	S	*	*				62	114.8	126.3	-56.6	166.1	0	0	0	115.6
2454	A	27	Very low	26.3	Very low	85 Å²	85	122.5 Å²	122.5	70%	0.702	74%	0.736	S	S	*	*				138.3	149.3	94.6	0	0	0	0	0	113.8
2455	N	27.9	Very low	26.1	Very low	134.25 Å²	134.25	121.3 Å²	121.3	72%	0.718	74%	0.735	S	S	*	*			cis	-137.5	143.6	48.4	-107.1	-13.2	0	0	0	110.1
2456	I	28.9	Very low	25.9	Very low	121.75 Å²	121.75	123.4 Å²	123.4	62%	0.624	73%	0.734	S	S	*	*				42.9	118.4	103.2	-53.3	172.4	0	0	0	113.2	V2452	V2452-I2456 HydrophobicContact CG1-CD1 3.52Å; V2452-I2456 HydrophobicContact CG1-CG1 3.64Å
2457	S	28.7	Very low	25.8	Very low	91.25 Å²	91.25	121.4 Å²	121.4	64%	0.638	72%	0.723	S	S	*	*			cis	-162.3	150.1	48.9	48.8	0	0	0	0	111.3
2458	N	27.3	Very low	25.6	Very low	144.25 Å²	144.25	123.5 Å²	123.5	77%	0.771	72%	0.718	S	S	*	*				-149.5	155.5	69.7	-90.4	-3.2	0	0	0	111.8
2459	S	27.1	Very low	25.6	Very low	98.25 Å²	98.25	120.5 Å²	120.5	69%	0.687	71%	0.706	S	S	*	*			cis	-153	152.1	38.4	59.9	0	0	0	0	111.6
2460	V	27.7	Very low	25.6	Very low	131 Å²	131	117.8 Å²	117.8	79%	0.794	70%	0.697	S	S	*	*			cis	-179.2	137.1	10.4	144	0	0	0	0	111.3
2461	T	23.8	Very low	25.8	Very low	125.5 Å²	125.5	121 Å²	121	77%	0.77	69%	0.692	S	S	*	*			trans	-61.8	152.4	154.2	-25	0	0	0	0	113.8
2462	T	24.3	Very low	25.8	Very low	113.5 Å²	113.5	121.5 Å²	121.5	70%	0.696	69%	0.686	S	S	*	*			trans	-20.4	133.9	172.8	52.7	0	0	0	0	118
2463	T	24.8	Very low	25.9	Very low	129.25 Å²	129.25	121.5 Å²	121.5	79%	0.793	68%	0.683	S	S	*	*			trans	-145.6	143.2	140.9	29.8	0	0	0	0	112.5
2464	N	23	Very low	25.9	Very low	146.25 Å²	146.25	117.8 Å²	117.8	78%	0.782	67%	0.671	S	S	*	*			trans	56.4	129.1	154.5	-61.7	-14.5	0	0	0	115.8
2465	V	24.9	Very low	25.9	Very low	117.75 Å²	117.75	118.6 Å²	118.6	71%	0.714	67%	0.667	S	S	*	*				173.5	142.6	107.3	160.2	0	0	0	0	110.5	R1831 I2467	R1831-V2465 PolarHBondContact NH2-O 2.89Å; V2465-I2467 HydrophobicContact CG1-CD1 4.18Å; V2465-I2467 HydrophobicContact CG1-CG1 3.75Å
2466	H	24.4	Very low	26	Very low	133.75 Å²	133.75	118.7 Å²	118.7	62%	0.619	67%	0.667	S	S	*	*			trans	146.3	167.2	134.9	-90.7	-46.7	0	0	0	111.7	R1831 S1832 D2468	R1831-H2466 HydrophobicContact CB-CB 4.38Å; S1832-H2466 PolarHBondContact N-CD2 2.59Å; H2466-D2468 IonicContact CE1-OD1 2.76Å; H2466-D2468 PolarHBondContact CE1-OD1 3.09Å; H2466-D2468 IonicContact CE1-OD2 3.74Å; H2466-D2468 IonicContact ND1-OD1 3.62Å; H2466-D2468 PolarHBondContact ND1-OD1 3.1Å; H2466-D2468 IonicContact ND1-OD2 3.69Å
2467	I	26	Very low	26	Very low	110.25 Å²	110.25	117.6 Å²	117.6	57%	0.565	67%	0.67	S	S	*	*			cis	142.8	126.4	27.4	-41.3	167.6	0	0	0	112	R1831 S1832 V2465 E2553 D2554 K2555	R1831-I2467 HydrophobicContact CB-CB 4.49Å; R1831-I2467 HydrophobicContact CB-CG2 3.51Å; R1831-I2467 WeakPolarHBondContact O-CG2 3.37Å; S1832-I2467 WeakPolarHBondContact OG-CG1 3.28Å; V2465-I2467 HydrophobicContact CG1-CD1 4.18Å; V2465-I2467 HydrophobicContact CG1-CG1 3.75Å; I2467-E2553 HydrophobicContact CB-CG 3.98Å; I2467-E2553 HydrophobicContact CD1-CG 3.62Å; I2467-E2553 HydrophobicContact CG1-CG 3.91Å; I2467-E2553 HydrophobicContact CG2-CG 4.35Å; I2467-D2554 CarbonylContact O-C 3.19Å; I2467-D2554 WeakPolarHBondContact O-CA 3.47Å; I2467-K2555 PolarHBondContact O-N 2.87Å; I2467-K2555 VanDerWaalsContact O-N 3.1Å
2468	D	24.8	Very low	26	Very low	112.25 Å²	112.25	120.9 Å²	120.9	60%	0.6	68%	0.676	S	S	*	*				-160	155.2	54	-131.1	-14.5	0	0	0	113	R1831 H2466 K2555 T2556	R1831-D2468 VanDerWaalsContact NH1-N 3.12Å; H2466-D2468 IonicContact CE1-OD1 2.76Å; H2466-D2468 PolarHBondContact CE1-OD1 3.09Å; H2466-D2468 IonicContact CE1-OD2 3.74Å; H2466-D2468 IonicContact ND1-OD1 3.62Å; H2466-D2468 PolarHBondContact ND1-OD1 3.1Å; H2466-D2468 IonicContact ND1-OD2 3.69Å; D2468-K2555 VanDerWaalsContact N-N 3.17Å; D2468-K2555 VanDerWaalsContact O-CA 3.22Å; D2468-K2555 WeakPolarHBondContact O-CA 3.2Å; D2468-T2556 PolarHBondContact O-N 3.02Å; D2468-T2556 VanDerWaalsContact O-N 3.15Å
2469	V	26.2	Very low	25.9	Very low	91.25 Å²	91.25	121.1 Å²	121.1	55%	0.553	67%	0.672	S	S	*	*			trans	35.2	101.4	140.2	178.4	0	0	0	0	117.4	R2471 T2556 Y2814	V2469-R2471 PolarHBondContact O-N 2.98Å; V2469-T2556 CarbonylContact C-O 2.8Å; V2469-T2556 WeakPolarHBondContact CA-OG1 3.34Å; V2469-T2556 PolarHBondContact N-OG1 3.35Å; V2469-T2556 VanDerWaalsContact N-OG1 3.07Å; V2469-Y2814 WeakPolarHBondContact CG1-O 3.34Å
2470	T	25.3	Very low	25.8	Very low	90.5 Å²	90.5	121.4 Å²	121.4	56%	0.555	67%	0.674	S	S	*	*			trans	-19.3	143.1	144.5	52.7	0	0	0	0	116.9	T2556 N2815	T2470-T2556 PolarHBondContact N-O 3.28Å; T2470-T2556 PolarHBondContact N-OG1 3.5Å; T2470-T2556 VanDerWaalsContact N-OG1 3.11Å; T2470-N2815 VanDerWaalsContact O-CA 3.31Å; T2470-N2815 WeakPolarHBondContact O-CA 3.47Å; T2470-N2815 PolarHBondContact O-N 2.93Å
2471	R	26	Very low	25.7	Very low	187.25 Å²	187.25	119.8 Å²	119.8	71%	0.707	67%	0.668	S	S	*	*			trans	90.5	116.4	139.6	-159.1	-179.6	-157.8	135.8	2.1	115.2	V2469 T2810 N2815	V2469-R2471 PolarHBondContact O-N 2.98Å; R2471-T2810 PolarHBondContact NE-OG1 2.85Å; R2471-T2810 VanDerWaalsContact NH2-CG2 3.34Å; R2471-T2810 PolarHBondContact NH2-OG1 2.96Å; R2471-N2815 VanDerWaalsContact C-CG 3.46Å; R2471-N2815 WeakPolarHBondContact O-CB 3.35Å; R2471-N2815 PolarHBondContact O-ND2 2.75Å; R2471-N2815 PolarHBondContact O-OD1 3.34Å
2472	N	25.1	Very low	25.9	Very low	114.5 Å²	114.5	119.2 Å²	119.2	61%	0.612	67%	0.666	S	S	*	*			trans	46.7	117.4	149.8	-55.9	5.3	0	0	0	117.2	N2815	N2472-N2815 PolarHBondContact N-OD1 2.92Å; N2472-N2815 PolarHBondContact O-ND2 2.9Å; N2472-N2815 PolarHBondContact O-OD1 2.74Å
2473	N	26.2	Very low	25.9	Very low	116.5 Å²	116.5	117.9 Å²	117.9	62%	0.623	66%	0.662	S	S	*	*				-166	150.9	77.3	-97.6	-41.4	0	0	0	112.1	L1821 H1822	L1821-N2473 VanDerWaalsContact C-CB 3.45Å; L1821-N2473 VanDerWaalsContact CA-CG 3.48Å; L1821-N2473 VanDerWaalsContact CA-ND2 3.26Å; L1821-N2473 WeakPolarHBondContact CA-ND2 3.48Å; L1821-N2473 PolarHBondContact N-ND2 3.09Å; L1821-N2473 VanDerWaalsContact O-CB 3.31Å; L1821-N2473 WeakPolarHBondContact O-CB 3.38Å; H1822-N2473 WeakPolarHBondContact CA-OD1 3.45Å; H1822-N2473 PolarHBondContact N-OD1 2.99Å
2474	S	24.9	Very low	26.2	Very low	80.5 Å²	80.5	120.8 Å²	120.8	56%	0.563	66%	0.664	S	S	*	*				140.3	142	122	66.4	0	0	0	0	113.9	N2476	S2474-N2476 PolarHBondContact O-N 3.11Å; S2474-N2476 VanDerWaalsContact O-N 3.13Å
2475	T	26.8	Very low	26.4	Very low	100 Å²	100	120.2 Å²	120.2	61%	0.613	66%	0.661	S	S	*	*			trans	-121.4	120.1	140.6	48.3	0	0	0	0	114.1	S2477	T2475-S2477 PolarHBondContact O-N 3.05Å; T2475-S2477 VanDerWaalsContact O-N 3.07Å
2476	N	28.9	Very low	26.6	Very low	137.5 Å²	137.5	121.6 Å²	121.6	74%	0.735	66%	0.659	S	S	*	*			trans	145.2	115.3	139.2	-88.1	-25.3	0	0	0	112.5	S2474 Q2478	S2474-N2476 PolarHBondContact O-N 3.11Å; S2474-N2476 VanDerWaalsContact O-N 3.13Å; N2476-Q2478 PolarHBondContact O-N 3.11Å
2477	S	29.2	Very low	26.7	Very low	98.25 Å²	98.25	124.4 Å²	124.4	69%	0.687	67%	0.666	S	S	*	*			trans	47	132.3	143.9	65.5	0	0	0	0	113.3	T2475	T2475-S2477 PolarHBondContact O-N 3.05Å; T2475-S2477 VanDerWaalsContact O-N 3.07Å
2478	Q	29.1	Very low	26.9	Very low	160.75 Å²	160.75	125.2 Å²	125.2	75%	0.751	67%	0.671	S	S	*	*			cis	-146.5	136.4	37.1	-118.7	173.1	21.4	0	0	111	N2476	N2476-Q2478 PolarHBondContact O-N 3.11Å
2479	H	24.8	Very low	27.2	Very low	149 Å²	149	123.8 Å²	123.8	69%	0.69	67%	0.669	S	S	*	*			trans	61.9	94.6	162.2	-68.1	-62.5	0	0	0	117.7
2480	S	25.7	Very low	27.3	Very low	103.75 Å²	103.75	126.6 Å²	126.6	73%	0.726	68%	0.677	S	S	*	*				139.6	127.3	118	-66.2	0	0	0	0	111.3
2481	S	26.3	Very low	27.3	Very low	96.75 Å²	96.75	126.9 Å²	126.9	68%	0.677	68%	0.681	S	S	*	*			cis	149.6	133.2	4.7	-5.7	0	0	0	0	112	S2483 S2822	S2481-S2483 PolarHBondContact O-N 3.36Å; S2481-S2822 WeakPolarHBondContact CB-OG 2.98Å; S2481-S2822 PolarHBondContact OG-OG 3.2Å
2482	P	26.4	Very low	27.4	Very low	113 Å²	113	123.1 Å²	123.1	73%	0.734	68%	0.679	S	S	*	*				-112.9	150	-125.9	27.4	-13.6	0	0	0	113.2
2483	S	26.1	Very low	27.5	Very low	86 Å²	86	122.2 Å²	122.2	60%	0.601	68%	0.681	S	S	*	*			trans	159.8	141.2	140.7	62.7	0	0	0	0	113	S2481	S2481-S2483 PolarHBondContact O-N 3.36Å
2484	K	29.3	Very low	27.8	Very low	190.75 Å²	190.75	121.3 Å²	121.3	83%	0.829	68%	0.682	S	S	*	*			trans	111.6	138.6	152.9	-83.6	179.3	178.3	179	0	112.2	Q2486	K2484-Q2486 PolarHBondContact O-N 2.86Å
2485	N	28.4	Very low	28.2	Very low	134 Å²	134	124.2 Å²	124.2	72%	0.717	69%	0.687	S	S	*	*				-55.9	138	111.9	-96.5	-14.3	0	0	0	110.8
2486	Q	29.4	Very low	28.2	Very low	146.25 Å²	146.25	128.6 Å²	128.6	68%	0.683	69%	0.692	S	S	*	*			trans	-118.7	145.8	130.1	-85.7	165	-37.8	0	0	115.1	K2484 L2488	K2484-Q2486 PolarHBondContact O-N 2.86Å; Q2486-L2488 HydrophobicContact CB-CD1 4.05Å; Q2486-L2488 HydrophobicContact CB-CG 4.29Å; Q2486-L2488 HydrophobicContact CG-CD1 3.81Å; Q2486-L2488 HydrophobicContact CG-CG 4.01Å
2487	Y	25.7	Very low	28.1	Very low	193.5 Å²	193.5	127.5 Å²	127.5	76%	0.759	68%	0.682	S	S	*	*			trans	-90.7	132.4	156.1	-87.9	-89.9	0	0	0	113.5
2488	L	30.2	Very low	28.1	Very low	127.5 Å²	127.5	129.6 Å²	129.6	67%	0.668	68%	0.681	S	S	*	*			trans	72.8	120.2	140.6	-66.4	146.8	0	0	0	116.4	Q2486 E2490	Q2486-L2488 HydrophobicContact CB-CD1 4.05Å; Q2486-L2488 HydrophobicContact CB-CG 4.29Å; Q2486-L2488 HydrophobicContact CG-CD1 3.81Å; Q2486-L2488 HydrophobicContact CG-CG 4.01Å; L2488-E2490 WeakPolarHBondContact CD2-OE2 3.31Å
2489	S	30.6	Very low	28	Very low	82 Å²	82	127.1 Å²	127.1	57%	0.573	67%	0.672	S	S	*	*				139.8	143.4	54.8	-86.7	0	0	0	0	115.5
2490	E	28.8	Very low	28.5	Very low	150.75 Å²	150.75	123.7 Å²	123.7	70%	0.704	66%	0.663	S	S	*	*				133.1	138.7	53.2	-96.7	162.8	133.7	0	0	115.4	L2488	L2488-E2490 WeakPolarHBondContact CD2-OE2 3.31Å
2491	C	24.8	Very low	28.5	Very low	95.75 Å²	95.75	126 Å²	126	65%	0.647	67%	0.666	S	S	*	*			trans	67.4	119.9	143.1	-63.2	0	0	0	0	118.7	C1844 K1845	C1844-C2491 CarbonylContact C-O 3.37Å; K1845-C2491 PolarHBondContact N-O 2.91Å
2492	T	30	Very low	28.6	Very low	107.5 Å²	107.5	127.3 Å²	127.3	66%	0.66	67%	0.669	S	S	*	*			cis	173	136.3	42	28.4	0	0	0	0	112.2	S1843 C1844 E2706 S2707	S1843-T2492 CarbonylContact O-C 3.55Å; S1843-T2492 PolarHBondContact OG-O 3.29Å; C1844-T2492 PolarHBondContact O-N 2.91Å; T2492-E2706 CarbonylContact C-O 3.28Å; T2492-E2706 WeakPolarHBondContact CA-O 3.06Å; T2492-E2706 WeakPolarHBondContact CB-O 3.42Å; T2492-E2706 HydrophobicContact CG2-CB 3.93Å; T2492-E2706 WeakPolarHBondContact CG2-O 3.07Å; T2492-S2707 CarbonylContact C-O 2.96Å; T2492-S2707 WeakPolarHBondContact CB-O 3.49Å; T2492-S2707 WeakPolarHBondContact CG2-OG 3.28Å; T2492-S2707 VanDerWaalsContact O-O 3.07Å; T2492-S2707 PolarHBondContact OG1-O 3.26Å; T2492-S2707 PolarHBondContact OG1-OG 2.69Å
2493	S	25.3	Very low	28.7	Very low	95.25 Å²	95.25	125.6 Å²	125.6	67%	0.666	67%	0.665	S	S	*	*			trans	-92.2	155	152.4	-2.4	0	0	0	0	115.2	S1842 E2706	S1842-S2493 VanDerWaalsContact O-CA 3.3Å; S1842-S2493 WeakPolarHBondContact O-CA 3.06Å; S1842-S2493 WeakPolarHBondContact O-CB 3.22Å; S2493-E2706 WeakPolarHBondContact CA-O 3.1Å; S2493-E2706 VanDerWaalsContact CB-C 3.49Å; S2493-E2706 WeakPolarHBondContact CB-O 3.42Å; S2493-E2706 PolarHBondContact N-O 2.81Å; S2493-E2706 PolarHBondContact OG-N 2.59Å; S2493-E2706 PolarHBondContact OG-O 3.48Å
2494	P	34	Very low	28.8	Very low	98.75 Å²	98.75	125.8 Å²	125.8	64%	0.641	67%	0.666	S	S	*	*				-125.7	-177.8	71.6	38.9	-25.3	0	0	0	113.6	S1842	S1842-P2494 WeakPolarHBondContact OG-CA 3.4Å; S1842-P2494 PolarHBondContact OG-O 2.96Å
2495	E	32	Very low	28.7	Very low	140.75 Å²	140.75	121.8 Å²	121.8	66%	0.658	65%	0.654	S	S	*	*			trans	66.6	124.7	154	-69.8	-177.6	156	0	0	120.6
2496	R	28.1	Very low	28.8	Very low	193 Å²	193	121.4 Å²	121.4	73%	0.728	65%	0.647	S	S	*	*				166.6	123.1	94.2	-84	170.7	161.1	160.8	-3.5	114.9
2497	E	27	Very low	28.8	Very low	113.5 Å²	113.5	120.7 Å²	120.7	53%	0.53	64%	0.644	S	S	.	*				76.4	134.3	109.8	-59.5	-171.3	147.5	0	0	116	D2077	D2077-E2497 PolarHBondContact OD2-N 2.83Å
2498	H	29.4	Very low	29.1	Very low	142.25 Å²	142.25	115.1 Å²	115.1	66%	0.659	63%	0.631	S	S	*	*			trans	-152.1	153	173	-86.3	-39.1	0	0	0	113.7	N2078 N2079	N2078-H2498 CarbonylContact C-O 3.21Å; N2078-H2498 WeakPolarHBondContact CA-O 3.27Å; N2078-H2498 WeakPolarHBondContact CB-O 3.41Å; N2078-H2498 WeakPolarHBondContact O-CB 3.49Å; N2079-H2498 HydrophobicContact CB-CB 3.78Å; N2079-H2498 VanDerWaalsContact CB-CD2 3.49Å; N2079-H2498 WeakPolarHBondContact CB-CD2 3.1Å; N2079-H2498 VanDerWaalsContact ND2-C 3.31Å; N2079-H2498 WeakPolarHBondContact ND2-CB 3.38Å; N2079-H2498 PolarHBondContact ND2-CD2 3.14Å; N2079-H2498 VanDerWaalsContact ND2-CG 3.35Å
2499	I	26.8	Very low	28.9	Very low	108.25 Å²	108.25	114.3 Å²	114.3	56%	0.555	63%	0.628	S	S	*	*			trans	-73.7	-173.8	147.1	-78.7	165.8	0	0	0	113.1	N2078 N2079 I2501	N2078-I2499 CarbonylContact C-O 3.58Å; N2078-I2499 WeakPolarHBondContact ND2-CA 3.15Å; N2078-I2499 PolarHBondContact ND2-O 3.27Å; N2078-I2499 VanDerWaalsContact ND2-O 3.14Å; N2078-I2499 VanDerWaalsContact OD1-C 3.29Å; N2078-I2499 PolarHBondContact OD1-O 3.48Å; N2079-I2499 WeakPolarHBondContact CA-O 3.3Å; N2079-I2499 PolarHBondContact N-O 2.7Å; N2079-I2499 PolarHBondContact ND2-N 3.16Å; N2079-I2499 PolarHBondContact ND2-O 2.71Å; I2499-I2501 HydrophobicContact CD1-CD1 3.97Å; I2499-I2501 HydrophobicContact CD1-CG1 4.44Å
2500	P	34.9	Very low	28.8	Very low	79 Å²	79	117.3 Å²	117.3	51%	0.513	63%	0.631	S	S	.	*				-126.9	-171.7	-82.2	40.1	-21.1	0	0	0	115	N2078 V2502	N2078-P2500 PolarHBondContact ND2-O 3.43Å; N2078-P2500 WeakPolarHBondContact OD1-CD 3.35Å; P2500-V2502 HydrophobicContact CG-CB 3.94Å
2501	I	26	Very low	28.8	Very low	152.5 Å²	152.5	115.6 Å²	115.6	78%	0.782	63%	0.627	S	S	*	*			trans	94.4	102.5	156.3	-35.8	177.1	0	0	0	115.8	I2499	I2499-I2501 HydrophobicContact CD1-CD1 3.97Å; I2499-I2501 HydrophobicContact CD1-CG1 4.44Å
2502	V	27.9	Very low	29	Very low	122 Å²	122	115.4 Å²	115.4	74%	0.739	63%	0.626	S	S	*	*				134.2	144.5	110.2	167.4	0	0	0	0	114.5	S2080 L2081 P2500	S2080-V2502 CarbonylContact C-O 3.36Å; S2080-V2502 VanDerWaalsContact C-O 3.31Å; L2081-V2502 PolarHBondContact N-O 3.41Å; P2500-V2502 HydrophobicContact CG-CB 3.94Å
2503	A	28.6	Very low	29.1	Very low	78.5 Å²	78.5	115.5 Å²	115.5	65%	0.649	63%	0.626	S	S	*	*			trans	55.2	149.7	169.7	0	0	0	0	0	116.2
2504	S	27.5	Very low	29.3	Very low	89.25 Å²	89.25	117.5 Å²	117.5	62%	0.624	63%	0.626	S	S	*	*			cis	132.9	155	19	-83.4	0	0	0	0	114.7	S2082	S2082-S2504 VanDerWaalsContact N-C 3.29Å; S2082-S2504 PolarHBondContact N-O 3.45Å; S2082-S2504 PolarHBondContact O-N 2.76Å; S2082-S2504 VanDerWaalsContact O-N 3.11Å
2505	D	27	Very low	29.1	Very low	106.75 Å²	106.75	119.4 Å²	119.4	57%	0.571	63%	0.629	S	S	*	*				149.5	156.9	95.5	-64.1	-35.8	0	0	0	116.5	L2065 V2066 S2082 S2083 I2084	L2065-D2505 CarbonylContact O-C 3.48Å; L2065-D2505 WeakPolarHBondContact O-CA 3.47Å; L2065-D2505 VanDerWaalsContact O-CB 3.31Å; L2065-D2505 WeakPolarHBondContact O-CB 3.4Å; L2065-D2505 PolarHBondContact O-N 3.46Å; V2066-D2505 PolarHBondContact N-O 2.94Å; V2066-D2505 VanDerWaalsContact O-O 3.07Å; S2082-D2505 WeakPolarHBondContact CA-O 3.34Å; S2083-D2505 WeakPolarHBondContact CB-OD1 3.06Å; I2084-D2505 WeakPolarHBondContact CA-OD1 3.17Å; I2084-D2505 HydrophobicContact CB-CB 3.96Å; I2084-D2505 HydrophobicContact CD1-CB 3.86Å; I2084-D2505 HydrophobicContact CG1-CB 4.13Å; I2084-D2505 PolarHBondContact N-OD1 3.46Å
2506	H	30.4	Very low	29.1	Very low	125.75 Å²	125.75	117.9 Å²	117.9	58%	0.582	63%	0.63	S	S	*	*			trans	69.8	139.1	148.8	-75.6	-75.6	0	0	0	117.2	Y2060 V2066 N2067 K2068 I2084	Y2060-H2506 AromaticContact CZ-NE2 3.8Å; Y2060-H2506 PolarHBondContact OH-NE2 3.34Å; Y2060-H2506 VanDerWaalsContact OH-NE2 3.14Å; V2066-H2506 VanDerWaalsContact C-CB 3.4Å; V2066-H2506 PolarHBondContact O-N 2.59Å; N2067-H2506 CarbonylContact C-O 3.51Å; N2067-H2506 WeakPolarHBondContact CA-O 3.31Å; N2067-H2506 PolarHBondContact N-O 3.13Å; N2067-H2506 VanDerWaalsContact N-O 3.15Å; K2068-H2506 PolarHBondContact N-O 3.2Å; I2084-H2506 HydrophobicContact CB-CB 4.42Å; I2084-H2506 WeakPolarHBondContact CD1-CD2 3.23Å; I2084-H2506 WeakPolarHBondContact CD1-NE2 3.13Å; I2084-H2506 HydrophobicContact CG2-CB 4.27Å
2507	E	29.2	Very low	29.2	Very low	132 Å²	132	114.8 Å²	114.8	62%	0.617	62%	0.624	S	S	*	*				-28	161	119.9	-115.1	166.4	-179.6	0	0	116	L1877 C1878 N2067 K2068	L1877-E2507 VanDerWaalsContact C-OE1 3.24Å; L1877-E2507 WeakPolarHBondContact CA-OE1 3.49Å; L1877-E2507 PolarHBondContact N-OE1 2.79Å; C1878-E2507 PolarHBondContact N-OE1 3.17Å; N2067-E2507 HydrophobicContact CB-CB 4.27Å; N2067-E2507 PolarHBondContact ND2-OE2 2.75Å; N2067-E2507 WeakPolarHBondContact OD1-CB 3.35Å; N2067-E2507 WeakPolarHBondContact OD1-CG 3.21Å; K2068-E2507 WeakPolarHBondContact CB-O 3.19Å; K2068-E2507 WeakPolarHBondContact CD-O 3.06Å; K2068-E2507 WeakPolarHBondContact CG-O 3.49Å; K2068-E2507 PolarHBondContact N-O 3.13Å
2508	P	32.4	Very low	29.3	Very low	76 Å²	76	114.1 Å²	114.1	49%	0.494	62%	0.623	S	S	.	*			cis	-123.7	178.2	12.4	38.5	-19.5	0	0	0	116.4	P1875 N2067 K2068	P1875-P2508 CarbonylContact C-O 3.53Å; P1875-P2508 HydrophobicContact CG-CB 4.22Å; P1875-P2508 HydrophobicContact CG-CG 3.74Å; P1875-P2508 WeakPolarHBondContact CG-O 3.27Å; P1875-P2508 CarbonylContact O-C 3.32Å; P1875-P2508 VanDerWaalsContact O-O 3.13Å; N2067-P2508 WeakPolarHBondContact OD1-CD 3.25Å; N2067-P2508 WeakPolarHBondContact OD1-CG 3.47Å; K2068-P2508 VanDerWaalsContact O-CD 3.25Å; K2068-P2508 WeakPolarHBondContact O-CD 3.43Å
2509	D	26.9	Very low	29.3	Very low	109.75 Å²	109.75	113.4 Å²	113.4	59%	0.587	62%	0.619	S	S	*	*				134.6	168.8	119.5	-107.6	-21	0	0	0	117.8	P1875 S2070	P1875-D2509 PolarHBondContact O-N 3.14Å; S2070-D2509 VanDerWaalsContact CA-OD2 3.29Å; S2070-D2509 WeakPolarHBondContact CA-OD2 3.3Å; S2070-D2509 WeakPolarHBondContact CB-OD2 3.35Å; S2070-D2509 PolarHBondContact N-OD2 3.35Å; S2070-D2509 PolarHBondContact OG-OD2 3.01Å
2510	F	28.3	Very low	29.4	Very low	147 Å²	147	114 Å²	114	65%	0.645	62%	0.619	S	S	*	*			trans	144.9	141	170	-67.4	-87.2	0	0	0	118.2	S1872 S1873 H2517	S1872-F2510 VanDerWaalsContact C-CB 3.5Å; S1872-F2510 VanDerWaalsContact O-CD1 3.25Å; S1872-F2510 WeakPolarHBondContact O-CD1 3.2Å; S1872-F2510 WeakPolarHBondContact O-CD2 3.3Å; S1872-F2510 WeakPolarHBondContact O-CE1 2.86Å; S1872-F2510 VanDerWaalsContact O-CG 3.23Å; S1872-F2510 WeakPolarHBondContact O-CG 3.44Å; S1873-F2510 VanDerWaalsContact O-CA 3.23Å; S1873-F2510 WeakPolarHBondContact O-CA 3.26Å; S1873-F2510 WeakPolarHBondContact O-CB 3.44Å; S1873-F2510 WeakPolarHBondContact O-CD2 3.2Å; S1873-F2510 PolarHBondContact O-N 2.7Å; F2510-H2517 AromaticContact CE2-CE1 3.62Å; F2510-H2517 AromaticContact CE2-NE2 3.5Å; F2510-H2517 AromaticContact CZ-CE1 3.58Å; F2510-H2517 AromaticContact CZ-NE2 3.33Å; F2510-H2517 VanDerWaalsContact CZ-NE2 3.33Å; F2510-H2517 WeakPolarHBondContact CZ-NE2 3.43Å
2511	D	28.6	Very low	29.2	Very low	114.5 Å²	114.5	115.9 Å²	115.9	61%	0.612	62%	0.621	S	S	*	*				26.7	134.1	127.9	-99.9	-11.9	0	0	0	120.2	S1872 S1873 P1874	S1872-D2511 VanDerWaalsContact CA-OD1 3.29Å; S1872-D2511 WeakPolarHBondContact CA-OD1 3.28Å; S1872-D2511 WeakPolarHBondContact CB-OD1 3.24Å; S1873-D2511 VanDerWaalsContact CA-CB 3.45Å; S1873-D2511 WeakPolarHBondContact CA-OD2 3.24Å; S1873-D2511 VanDerWaalsContact N-CB 3.33Å; S1873-D2511 PolarHBondContact N-OD1 2.84Å; S1873-D2511 PolarHBondContact N-OD2 3.06Å; S1873-D2511 PolarHBondContact O-N 2.86Å; S1873-D2511 PolarHBondContact OG-OD2 3.23Å; S1873-D2511 VanDerWaalsContact OG-OD2 3.12Å; P1874-D2511 HydrophobicContact CB-CB 3.9Å; P1874-D2511 HydrophobicContact CG-CB 3.73Å
2512	S	29.5	Very low	29.3	Very low	91.25 Å²	91.25	112.6 Å²	112.6	64%	0.638	61%	0.605	S	S	*	*			trans	41.1	112.8	141.7	47.2	0	0	0	0	119
2513	T	31.3	Very low	29.4	Very low	108.5 Å²	108.5	112.6 Å²	112.6	67%	0.666	60%	0.597	S	S	*	*				-161.1	138.6	116	32.9	0	0	0	0	113.7	S2782 E2783 C2784	T2513-S2782 CarbonylContact O-C 3.13Å; T2513-S2782 VanDerWaalsContact O-C 3.28Å; T2513-S2782 VanDerWaalsContact O-CA 3.22Å; T2513-S2782 WeakPolarHBondContact O-CA 3.42Å; T2513-E2783 PolarHBondContact O-N 2.66Å; T2513-E2783 VanDerWaalsContact OG1-CA 3.29Å; T2513-E2783 WeakPolarHBondContact OG1-CA 3.14Å; T2513-E2783 PolarHBondContact OG1-N 2.99Å; T2513-E2783 PolarHBondContact OG1-O 2.81Å; T2513-C2784 VanDerWaalsContact OG1-CA 3.26Å; T2513-C2784 WeakPolarHBondContact OG1-CA 3.21Å; T2513-C2784 PolarHBondContact OG1-N 3.03Å
2514	E	29.5	Very low	29.5	Very low	138.5 Å²	138.5	114.9 Å²	114.9	65%	0.647	59%	0.592	S	S	*	*				76.6	133.5	125.3	-79.1	-156.9	159.8	0	0	118.2	T2516 H2517 S2782 E2783	E2514-T2516 WeakPolarHBondContact OE1-CA 3.49Å; E2514-T2516 PolarHBondContact OE1-N 3.46Å; E2514-T2516 WeakPolarHBondContact OE2-CA 3Å; E2514-T2516 PolarHBondContact OE2-N 3.22Å; E2514-H2517 PolarHBondContact OE1-N 2.83Å; E2514-S2782 VanDerWaalsContact CB-O 3.31Å; E2514-S2782 WeakPolarHBondContact CB-O 3.18Å; E2514-E2783 VanDerWaalsContact CB-O 3.3Å; E2514-E2783 WeakPolarHBondContact CB-O 3.38Å
2515	L	29.3	Very low	29.7	Very low	137.75 Å²	137.75	117.2 Å²	117.2	72%	0.721	59%	0.593	S	S	*	*			trans	75.7	112	140.6	-93.1	164.7	0	0	0	118.8	I2539	L2515-I2539 HydrophobicContact CD1-CG2 3.99Å; L2515-I2539 HydrophobicContact CD2-CD1 4.48Å; L2515-I2539 HydrophobicContact CD2-CG2 4.04Å; L2515-I2539 HydrophobicContact CG-CG2 4.24Å
2516	T	33	Very low	29.8	Very low	109 Å²	109	116.8 Å²	116.8	67%	0.669	59%	0.591	S	S	*	*			trans	63.9	124.7	153	60.4	0	0	0	0	118.7	E2514	E2514-T2516 WeakPolarHBondContact OE1-CA 3.49Å; E2514-T2516 PolarHBondContact OE1-N 3.46Å; E2514-T2516 WeakPolarHBondContact OE2-CA 3Å; E2514-T2516 PolarHBondContact OE2-N 3.22Å
2517	H	28.9	Very low	29.7	Very low	129.75 Å²	129.75	116.6 Å²	116.6	60%	0.601	59%	0.594	S	S	*	*				-114.1	134	62.4	-96.9	-40.3	0	0	0	114.2	F2510 E2514 H2519	F2510-H2517 AromaticContact CE2-CE1 3.62Å; F2510-H2517 AromaticContact CE2-NE2 3.5Å; F2510-H2517 AromaticContact CZ-CE1 3.58Å; F2510-H2517 AromaticContact CZ-NE2 3.33Å; F2510-H2517 VanDerWaalsContact CZ-NE2 3.33Å; F2510-H2517 WeakPolarHBondContact CZ-NE2 3.43Å; E2514-H2517 PolarHBondContact OE1-N 2.83Å; H2517-H2519 AromaticContact CE1-CD2 3.99Å; H2517-H2519 AromaticContact CE1-NE2 3.45Å; H2517-H2519 PolarHBondContact CE1-NE2 2.84Å; H2517-H2519 AromaticContact ND1-CD2 3.24Å; H2517-H2519 PolarHBondContact ND1-CD2 3.28Å; H2517-H2519 AromaticContact ND1-NE2 3.17Å; H2517-H2519 PolarHBondContact ND1-NE2 3.4Å; H2517-H2519 VanDerWaalsContact ND1-NE2 3.17Å
2518	I	29.6	Very low	29.8	Very low	98.5 Å²	98.5	116 Å²	116	51%	0.505	60%	0.595	S	S	.	*				70.4	109.1	116.8	-58.6	156.5	0	0	0	113.5	Q2087	Q2087-I2518 HydrophobicContact CB-CB 3.97Å; Q2087-I2518 HydrophobicContact CB-CG1 3.55Å; Q2087-I2518 HydrophobicContact CB-CG2 4.1Å; Q2087-I2518 HydrophobicContact CG-CB 4.21Å; Q2087-I2518 HydrophobicContact CG-CG1 4.34Å; Q2087-I2518 HydrophobicContact CG-CG2 4Å
2519	H	29.5	Very low	29.7	Very low	127.25 Å²	127.25	121.6 Å²	121.6	59%	0.589	61%	0.607	S	S	*	*				-179.7	106.8	104.7	-98.3	-80.3	0	0	0	113.3	D2088 H2517 H2521	D2088-H2519 PolarHBondContact OD2-N 2.81Å; H2517-H2519 AromaticContact CE1-CD2 3.99Å; H2517-H2519 AromaticContact CE1-NE2 3.45Å; H2517-H2519 PolarHBondContact CE1-NE2 2.84Å; H2517-H2519 AromaticContact ND1-CD2 3.24Å; H2517-H2519 PolarHBondContact ND1-CD2 3.28Å; H2517-H2519 AromaticContact ND1-NE2 3.17Å; H2517-H2519 PolarHBondContact ND1-NE2 3.4Å; H2517-H2519 VanDerWaalsContact ND1-NE2 3.17Å; H2519-H2521 PolarHBondContact O-CD2 3Å
2520	H	29.4	Very low	29.9	Very low	120 Å²	120	122.8 Å²	122.8	56%	0.556	61%	0.608	S	S	*	*				55.5	118.7	119.1	-98.5	-97.7	0	0	0	114.2	Q2087 D2088 L2522 I2672	Q2087-H2520 HydrophobicContact CG-CB 4.28Å; Q2087-H2520 VanDerWaalsContact NE2-N 3.2Å; Q2087-H2520 PolarHBondContact NE2-O 2.58Å; Q2087-H2520 VanDerWaalsContact NE2-O 3.08Å; D2088-H2520 PolarHBondContact OD2-N 3.14Å; H2520-L2522 VanDerWaalsContact ND1-CD1 3.25Å; H2520-L2522 WeakPolarHBondContact ND1-CD1 3.31Å; H2520-L2522 WeakPolarHBondContact ND1-CG 3.35Å; H2520-I2672 PolarHBondContact NE2-N 3.22Å
2521	H	29.8	Very low	30.1	Very low	118.5 Å²	118.5	121.5 Å²	121.5	55%	0.549	61%	0.608	S	S	.	*				-150.3	123.5	125.1	-119.2	-92.4	0	0	0	111.9	A2058 H2519	A2058-H2521 PolarHBondContact O-CE1 3.48Å; A2058-H2521 PolarHBondContact O-ND1 3.03Å; H2519-H2521 PolarHBondContact O-CD2 3Å
2522	L	29.5	Very low	30.1	Very low	84.25 Å²	84.25	124.4 Å²	124.4	44%	0.441	61%	0.612	S	S	.	*			trans	59.9	115.8	131.8	-57.1	165.2	0	0	0	120	I2057 Y2060 H2520 F2524	I2057-L2522 HydrophobicContact CG2-CD1 3.64Å; I2057-L2522 HydrophobicContact CG2-CD2 3.89Å; I2057-L2522 HydrophobicContact CG2-CG 4.48Å; Y2060-L2522 HydrophobicContact CD2-CB 3.18Å; Y2060-L2522 HydrophobicContact CD2-CD2 3.28Å; Y2060-L2522 HydrophobicContact CD2-CG 3.71Å; Y2060-L2522 HydrophobicContact CE2-CB 3.67Å; Y2060-L2522 HydrophobicContact CE2-CD2 3.56Å; Y2060-L2522 HydrophobicContact CE2-CG 4.04Å; Y2060-L2522 HydrophobicContact CG-CB 3.66Å; Y2060-L2522 HydrophobicContact CG-CD2 4.45Å; Y2060-L2522 VanDerWaalsContact N-CB 3.25Å; H2520-L2522 VanDerWaalsContact ND1-CD1 3.25Å; H2520-L2522 WeakPolarHBondContact ND1-CD1 3.31Å; H2520-L2522 WeakPolarHBondContact ND1-CG 3.35Å; L2522-F2524 HydrophobicContact CD2-CE2 4.05Å
2523	Q	30.1	Very low	30.2	Very low	122.5 Å²	122.5	125.8 Å²	125.8	57%	0.572	61%	0.611	S	S	*	*				-178.8	124.6	122.4	-112.3	155.9	31	0	0	114.5	Y2060 G2062 D2063 L2634	Y2060-Q2523 WeakPolarHBondContact CD1-O 3.18Å; Y2060-Q2523 WeakPolarHBondContact CE1-O 3.43Å; G2062-Q2523 CarbonylContact C-O 2.84Å; G2062-Q2523 WeakPolarHBondContact O-CG 3.49Å; D2063-Q2523 WeakPolarHBondContact CA-O 3.15Å; D2063-Q2523 PolarHBondContact N-O 3.47Å; Q2523-L2634 WeakPolarHBondContact O-CD1 3.15Å
2524	F	29.7	Very low	30.1	Very low	125.25 Å²	125.25	127.7 Å²	127.7	55%	0.549	62%	0.617	S	S	.	*				175.2	150.7	125.5	-94	-61.3	0	0	0	113	Y2060 N2061 G2062 D2063 D2064 L2522 N2526 L2633 L2634 S2635	Y2060-F2524 VanDerWaalsContact C-N 3.34Å; Y2060-F2524 HydrophobicContact CD1-CB 3.42Å; Y2060-F2524 VanDerWaalsContact CD1-CB 3.42Å; Y2060-F2524 VanDerWaalsContact CD1-N 3.3Å; Y2060-F2524 HydrophobicContact CE1-CB 4.44Å; Y2060-F2524 HydrophobicContact CG-CB 4.04Å; N2061-F2524 VanDerWaalsContact C-N 3.34Å; N2061-F2524 CarbonylContact C-O 3.51Å; N2061-F2524 VanDerWaalsContact CA-C 3.46Å; N2061-F2524 WeakPolarHBondContact CA-O 3.48Å; N2061-F2524 WeakPolarHBondContact OD1-CD2 3.14Å; G2062-F2524 VanDerWaalsContact CA-CA 3.47Å; G2062-F2524 WeakPolarHBondContact CA-O 3.07Å; G2062-F2524 PolarHBondContact N-O 2.86Å; D2063-F2524 WeakPolarHBondContact OD1-CA 3.37Å; D2064-F2524 WeakPolarHBondContact OD1-CB 3.1Å; D2064-F2524 WeakPolarHBondContact OD1-CD1 3.21Å; L2522-F2524 HydrophobicContact CD2-CE2 4.05Å; F2524-N2526 VanDerWaalsContact CE1-OD1 3.29Å; F2524-N2526 WeakPolarHBondContact CE1-OD1 3.12Å; F2524-N2526 WeakPolarHBondContact CZ-OD1 3.49Å; F2524-L2633 HydrophobicContact CB-CD2 4.23Å; F2524-L2633 HydrophobicContact CD2-CD2 3.98Å; F2524-L2633 HydrophobicContact CG-CD2 4.48Å; F2524-L2634 HydrophobicContact CB-CD1 4.09Å; F2524-S2635 PolarHBondContact O-OG 3.43Å
2525	E	32.2	Very low	30.2	Very low	138.5 Å²	138.5	126.2 Å²	126.2	65%	0.647	61%	0.613	S	S	*	*				148.5	125.5	84.6	-112.3	175.1	-157.4	0	0	116.5	N2061 D2063 S2635	N2061-E2525 HydrophobicContact CB-CB 4.25Å; N2061-E2525 VanDerWaalsContact CG-CD 3.49Å; N2061-E2525 PolarHBondContact ND2-OE1 3.3Å; N2061-E2525 PolarHBondContact ND2-OE2 3.08Å; N2061-E2525 WeakPolarHBondContact OD1-CB 3.18Å; N2061-E2525 VanDerWaalsContact OD1-CG 3.23Å; N2061-E2525 WeakPolarHBondContact OD1-CG 3.23Å; N2061-E2525 PolarHBondContact OD1-N 2.94Å; D2063-E2525 PolarHBondContact OD1-N 3.1Å; E2525-S2635 WeakPolarHBondContact O-CB 3.32Å; E2525-S2635 PolarHBondContact O-OG 2.84Å
2526	N	28.4	Very low	30.3	Very low	97.5 Å²	97.5	127 Å²	127	52%	0.521	61%	0.611	S	S	.	*				65.6	131.6	115.3	-71.9	-31.3	0	0	0	120	F2524 Y2807 N2808	F2524-N2526 VanDerWaalsContact CE1-OD1 3.29Å; F2524-N2526 WeakPolarHBondContact CE1-OD1 3.12Å; F2524-N2526 WeakPolarHBondContact CZ-OD1 3.49Å; N2526-Y2807 CarbonylContact C-O 2.97Å; N2526-Y2807 VanDerWaalsContact C-O 3.28Å; N2526-N2808 VanDerWaalsContact C-CB 3.48Å; N2526-N2808 WeakPolarHBondContact O-CB 3.28Å; N2526-N2808 PolarHBondContact O-ND2 2.91Å
2527	N	28.9	Very low	30.3	Very low	122.75 Å²	122.75	127.2 Å²	127.2	66%	0.656	61%	0.608	S	S	*	*				163	143.2	85.1	-93.7	-46.3	0	0	0	115.8	Y2807 N2808	N2527-Y2807 HydrophobicContact CB-CD1 4.44Å; N2527-Y2807 HydrophobicContact CB-CE1 4.37Å; N2527-Y2807 PolarHBondContact N-O 3.31Å; N2527-Y2807 CarbonylContact O-C 3.06Å; N2527-Y2807 WeakPolarHBondContact O-CA 2.82Å; N2527-Y2807 WeakPolarHBondContact O-CD1 3.38Å; N2527-Y2807 VanDerWaalsContact O-O 3.12Å; N2527-N2808 HydrophobicContact CB-CB 4.37Å; N2527-N2808 WeakPolarHBondContact CB-ND2 3.45Å; N2527-N2808 WeakPolarHBondContact O-CA 3.48Å; N2527-N2808 WeakPolarHBondContact O-CB 3.18Å; N2527-N2808 VanDerWaalsContact O-CG 3.3Å; N2527-N2808 PolarHBondContact O-N 3.46Å; N2527-N2808 VanDerWaalsContact O-N 3.16Å; N2527-N2808 PolarHBondContact O-OD1 2.76Å
2528	N	30.4	Very low	30.3	Very low	119.25 Å²	119.25	126.5 Å²	126.5	64%	0.638	61%	0.613	S	S	*	*			trans	127.3	107.8	163.1	-73.4	-52.8	0	0	0	113.8	Y2807	N2528-Y2807 WeakPolarHBondContact CA-OH 3.2Å; N2528-Y2807 HydrophobicContact CB-CD1 2.3Å; N2528-Y2807 HydrophobicContact CB-CD2 2.29Å; N2528-Y2807 HydrophobicContact CB-CE1 2.29Å; N2528-Y2807 HydrophobicContact CB-CE2 2.29Å; N2528-Y2807 HydrophobicContact CB-CG 2.32Å; N2528-Y2807 WeakPolarHBondContact CB-OH 3.01Å; N2528-Y2807 WeakPolarHBondContact ND2-CD1 3.04Å; N2528-Y2807 VanDerWaalsContact ND2-CE1 3.35Å; N2528-Y2807 WeakPolarHBondContact ND2-CE1 3.3Å; N2528-Y2807 WeakPolarHBondContact O-CE2 3.16Å; N2528-Y2807 PolarHBondContact O-OH 3.43Å; N2528-Y2807 WeakPolarHBondContact OD1-CB 3.26Å; N2528-Y2807 WeakPolarHBondContact OD1-CD1 3.27Å
2529	R	31	Very low	30.4	Very low	194.25 Å²	194.25	127.3 Å²	127.3	73%	0.733	62%	0.617	S	S	*	*				152.2	136.8	115	-80.5	-178.1	173.8	170.4	-2.5	115.1	S2805 Y2807	R2529-S2805 WeakPolarHBondContact CG-OG 3.42Å; R2529-Y2807 HydrophobicContact CB-CD2 4.35Å; R2529-Y2807 HydrophobicContact CB-CE2 3.88Å; R2529-Y2807 HydrophobicContact CG-CD2 4.08Å; R2529-Y2807 HydrophobicContact CG-CE2 3.62Å
2530	H	31.4	Very low	30.6	Very low	134.5 Å²	134.5	128.1 Å²	128.1	62%	0.623	62%	0.624	S	S	*	*				56.8	146	98	-77.3	-16.7	0	0	0	115.1	R1913 Y2532 E2804 S2805	R1913-H2530 PolarHBondContact NH2-O 3.31Å; H2530-Y2532 PolarHBondContact O-N 2.64Å; H2530-E2804 IonicContact CE1-OE1 3.61Å; H2530-E2804 IonicContact CE1-OE2 3.11Å; H2530-E2804 IonicContact CG-OE1 2.65Å; H2530-E2804 IonicContact ND1-OE1 2.87Å; H2530-E2804 PolarHBondContact ND1-OE1 3.18Å; H2530-E2804 IonicContact ND1-OE2 3.51Å; H2530-E2804 PolarHBondContact ND1-OE2 3.13Å; H2530-S2805 VanDerWaalsContact C-CB 3.43Å; H2530-S2805 VanDerWaalsContact O-CB 3.27Å; H2530-S2805 WeakPolarHBondContact O-CB 2.91Å
2531	D	31.9	Very low	30.7	Very low	118.5 Å²	118.5	128 Å²	128	63%	0.634	63%	0.632	S	S	*	*			cis	-139.2	157.5	9.5	-108.1	-59.1	0	0	0	111.5	N2803	D2531-N2803 PolarHBondContact O-ND2 2.81Å
2532	Y	29.5	Very low	30.8	Very low	176 Å²	176	129.5 Å²	129.5	69%	0.69	64%	0.637	S	S	*	*			trans	-23.9	150.4	150.8	-102.2	-104.3	0	0	0	117.4	H2530 P2801 I2802 N2803 E2804	H2530-Y2532 PolarHBondContact O-N 2.64Å; Y2532-P2801 VanDerWaalsContact CD1-C 3.43Å; Y2532-P2801 HydrophobicContact CD1-CB 3.85Å; Y2532-P2801 HydrophobicContact CD1-CG 4.26Å; Y2532-P2801 HydrophobicContact CE1-CB 4.11Å; Y2532-P2801 HydrophobicContact CE1-CG 4.36Å; Y2532-P2801 WeakPolarHBondContact CE1-O 3.44Å; Y2532-P2801 VanDerWaalsContact CZ-C 3.47Å; Y2532-P2801 PolarHBondContact OH-O 2.86Å; Y2532-P2801 VanDerWaalsContact OH-O 3.07Å; Y2532-I2802 HydrophobicContact CD1-CB 2.32Å; Y2532-I2802 HydrophobicContact CD1-CD1 4.11Å; Y2532-I2802 HydrophobicContact CD1-CG1 2.6Å; Y2532-I2802 HydrophobicContact CD1-CG2 3.73Å; Y2532-I2802 HydrophobicContact CD2-CB 2.32Å; Y2532-I2802 HydrophobicContact CD2-CG1 3.68Å; Y2532-I2802 HydrophobicContact CD2-CG2 2.6Å; Y2532-I2802 HydrophobicContact CE1-CB 2.3Å; Y2532-I2802 HydrophobicContact CE1-CD1 4.17Å; Y2532-I2802 HydrophobicContact CE1-CG1 2.93Å; Y2532-I2802 HydrophobicContact CE1-CG2 3.9Å; Y2532-I2802 HydrophobicContact CE2-CB 2.3Å; Y2532-I2802 HydrophobicContact CE2-CG1 3.93Å; Y2532-I2802 HydrophobicContact CE2-CG2 2.83Å; Y2532-I2802 VanDerWaalsContact CE2-O 3.32Å; Y2532-I2802 WeakPolarHBondContact CE2-O 3.39Å; Y2532-I2802 HydrophobicContact CG-CB 2.31Å; Y2532-I2802 HydrophobicContact CG-CD1 4.48Å; Y2532-I2802 HydrophobicContact CG-CG1 3Å; Y2532-I2802 HydrophobicContact CG-CG2 3.09Å; Y2532-I2802 VanDerWaalsContact CG-N 3.33Å; Y2532-I2802 VanDerWaalsContact CZ-O 3.26Å; Y2532-I2802 WeakPolarHBondContact OH-CA 3.3Å; Y2532-I2802 PolarHBondContact OH-O 2.93Å; Y2532-N2803 VanDerWaalsContact C-CB 3.44Å; Y2532-N2803 VanDerWaalsContact CA-CB 3.43Å; Y2532-N2803 HydrophobicContact CD2-CB 3.62Å; Y2532-N2803 HydrophobicContact CG-CB 4.18Å; Y2532-N2803 PolarHBondContact O-ND2 3.21Å; Y2532-E2804 HydrophobicContact CD2-CB 4.33Å; Y2532-E2804 HydrophobicContact CD2-CG 4.49Å
2533	I	31.2	Very low	30.9	Very low	121 Å²	121	131.5 Å²	131.5	62%	0.621	64%	0.644	S	S	*	*				-89.6	132.1	116.8	-67.9	172.1	0	0	0	112.4	N2535 P2801 N2803	I2533-N2535 HydrophobicContact CG2-CB 4.06Å; I2533-N2535 PolarHBondContact O-N 2.9Å; I2533-P2801 HydrophobicContact CB-CB 3.83Å; I2533-P2801 HydrophobicContact CG2-CB 4.12Å; I2533-N2803 HydrophobicContact CG1-CB 3.64Å
2534	D	28.9	Very low	30.8	Very low	149 Å²	149	132.6 Å²	132.6	80%	0.797	65%	0.647	S	S	*	*			trans	-104.2	132.3	152	-163.8	21.9	0	0	0	109.3
2535	N	32.2	Very low	30.9	Very low	105.25 Å²	105.25	133.9 Å²	133.9	56%	0.563	65%	0.653	S	S	*	*			trans	-154.6	120.5	-163.2	-129	-23.5	0	0	0	110.7	I2533 N2537	I2533-N2535 HydrophobicContact CG2-CB 4.06Å; I2533-N2535 PolarHBondContact O-N 2.9Å; N2535-N2537 PolarHBondContact O-N 3.16Å
2536	K	31.9	Very low	30.8	Very low	155.5 Å²	155.5	133.8 Å²	133.8	68%	0.676	65%	0.652	S	S	*	*			trans	24.1	123.7	149.3	-73.8	174	-175	154.6	0	115.4
2537	N	31.3	Very low	30.8	Very low	112.25 Å²	112.25	133.1 Å²	133.1	60%	0.6	65%	0.652	S	S	*	*			trans	37.6	123.1	130.5	-61.3	4.6	0	0	0	116.3	S2038 V2040 N2535 I2539	S2038-N2537 PolarHBondContact O-N 3.42Å; S2038-N2537 PolarHBondContact O-OD1 2.84Å; S2038-N2537 VanDerWaalsContact O-OD1 3.07Å; V2040-N2537 VanDerWaalsContact CG2-OD1 3.27Å; V2040-N2537 WeakPolarHBondContact CG2-OD1 3.4Å; N2535-N2537 PolarHBondContact O-N 3.16Å; N2537-I2539 PolarHBondContact O-N 3.42Å
2538	T	30.4	Very low	31.1	Very low	115.5 Å²	115.5	131.1 Å²	131.1	71%	0.709	65%	0.646	S	S	*	*				-158	128.5	69.9	7.3	0	0	0	0	111.8
2539	I	31.9	Very low	31.1	Very low	115.5 Å²	115.5	132.6 Å²	132.6	59%	0.592	65%	0.653	S	S	*	*			trans	64.8	114.4	132.3	-64.3	165.5	0	0	0	113.3	L2515 N2537 T2541	L2515-I2539 HydrophobicContact CD1-CG2 3.99Å; L2515-I2539 HydrophobicContact CD2-CD1 4.48Å; L2515-I2539 HydrophobicContact CD2-CG2 4.04Å; L2515-I2539 HydrophobicContact CG-CG2 4.24Å; N2537-I2539 PolarHBondContact O-N 3.42Å; I2539-T2541 HydrophobicContact CG2-CG2 4.43Å; I2539-T2541 WeakPolarHBondContact CG2-OG1 3.13Å
2540	I	32.8	Very low	31.1	Very low	145.25 Å²	145.25	127.7 Å²	127.7	75%	0.745	65%	0.648	S	S	*	*				106.8	121.7	109.7	-55.2	155	0	0	0	112.5	K2542	I2540-K2542 PolarHBondContact O-N 3.5Å; I2540-K2542 VanDerWaalsContact O-N 3.16Å
2541	T	31.6	Very low	31.2	Very low	117 Å²	117	127.5 Å²	127.5	72%	0.718	65%	0.652	S	S	*	*			trans	-146.8	125.1	137.4	40.9	0	0	0	0	112.9	I2539	I2539-T2541 HydrophobicContact CG2-CG2 4.43Å; I2539-T2541 WeakPolarHBondContact CG2-OG1 3.13Å
2542	K	31.5	Very low	31.3	Very low	149.25 Å²	149.25	129 Å²	129	65%	0.649	65%	0.654	S	S	*	*				48.4	128.9	124.2	-83.6	178.5	165.7	-97.2	0	117.2	Y2047 T2048 I2540	Y2047-K2542 CarbonylContact O-C 3.05Å; T2048-K2542 PolarHBondContact OG1-O 3.14Å; I2540-K2542 PolarHBondContact O-N 3.5Å; I2540-K2542 VanDerWaalsContact O-N 3.16Å
2543	E	30.9	Very low	31.4	Very low	127 Å²	127	127.4 Å²	127.4	59%	0.593	65%	0.653	S	S	*	*				88.4	116.5	92.6	-86.1	168.8	176.2	0	0	118.1	Y2047 T2048	Y2047-E2543 PolarHBondContact O-N 2.84Å; T2048-E2543 WeakPolarHBondContact OG1-CA 3.31Å; T2048-E2543 PolarHBondContact OG1-N 3.4Å; T2048-E2543 PolarHBondContact OG1-O 2.96Å
2544	F	29.1	Very low	31.4	Very low	144.75 Å²	144.75	127.2 Å²	127.2	64%	0.635	65%	0.653	S	S	*	*			trans	61.4	135	143.6	-64.4	-70.5	0	0	0	119.1	Y2047 T2048	Y2047-F2544 HydrophobicContact CD2-CB 4.23Å; Y2047-F2544 AromaticContact CD2-CD1 3.95Å; Y2047-F2544 HydrophobicContact CD2-CD1 3.95Å; Y2047-F2544 AromaticContact CD2-CD2 3.37Å; Y2047-F2544 HydrophobicContact CD2-CD2 3.37Å; Y2047-F2544 HydrophobicContact CD2-CE1 4.18Å; Y2047-F2544 AromaticContact CD2-CE2 3.61Å; Y2047-F2544 HydrophobicContact CD2-CE2 3.61Å; Y2047-F2544 AromaticContact CD2-CG 3.55Å; Y2047-F2544 HydrophobicContact CD2-CG 3.55Å; Y2047-F2544 HydrophobicContact CD2-CZ 4.02Å; Y2047-F2544 HydrophobicContact CE2-CB 4.25Å; Y2047-F2544 AromaticContact CE2-CD1 3.22Å; Y2047-F2544 HydrophobicContact CE2-CD1 3.22Å; Y2047-F2544 AromaticContact CE2-CD2 3.51Å; Y2047-F2544 HydrophobicContact CE2-CD2 3.51Å; Y2047-F2544 AromaticContact CE2-CE1 3.29Å; Y2047-F2544 HydrophobicContact CE2-CE1 3.29Å; Y2047-F2544 AromaticContact CE2-CE2 3.54Å; Y2047-F2544 HydrophobicContact CE2-CE2 3.54Å; Y2047-F2544 AromaticContact CE2-CG 3.34Å; Y2047-F2544 HydrophobicContact CE2-CG 3.34Å; Y2047-F2544 AromaticContact CE2-CZ 3.45Å; Y2047-F2544 HydrophobicContact CE2-CZ 3.45Å; Y2047-F2544 VanDerWaalsContact CE2-CZ 3.45Å; Y2047-F2544 HydrophobicContact CG-CD2 4.36Å; Y2047-F2544 HydrophobicContact CG-CG 4.36Å; Y2047-F2544 VanDerWaalsContact CG-N 3.31Å; Y2047-F2544 AromaticContact CZ-CD1 3.56Å; Y2047-F2544 AromaticContact CZ-CE1 3.87Å; Y2047-F2544 AromaticContact CZ-CG 3.92Å; T2048-F2544 PolarHBondContact OG1-N 3.44Å; T2048-F2544 VanDerWaalsContact OG1-N 3.08Å
2545	F	30.8	Very low	31.6	Very low	153.25 Å²	153.25	126.8 Å²	126.8	67%	0.672	65%	0.645	S	S	*	*			cis	-150.4	158.6	41.9	-87	-67.5	0	0	0	110.7
2546	H	30.2	Very low	31.6	Very low	136 Å²	136	126.4 Å²	126.4	63%	0.63	65%	0.646	S	S	*	*			cis	-159	130.6	40.5	-81.3	-72.7	0	0	0	116.1	I2595	H2546-I2595 HydrophobicContact CB-CG2 3.77Å; H2546-I2595 WeakPolarHBondContact O-CB 3.21Å; H2546-I2595 WeakPolarHBondContact O-CD1 3.13Å; H2546-I2595 WeakPolarHBondContact O-CG2 3.2Å
2547	T	29.8	Very low	31.5	Very low	84.25 Å²	84.25	124.2 Å²	124.2	52%	0.517	64%	0.641	S	S	.	*			trans	-77.8	172.9	148.2	37.5	0	0	0	0	111.1	Y2047	Y2047-T2547 HydrophobicContact CE1-CG2 4.3Å; Y2047-T2547 PolarHBondContact OH-OG1 3.07Å
2548	P	35.4	Very low	31.8	Very low	80.75 Å²	80.75	124.1 Å²	124.1	52%	0.524	64%	0.64	S	S	.	*			cis	-120.3	170.3	27	34.8	-23.6	0	0	0	114.1	E2553	P2548-E2553 HydrophobicContact CG-CG 4.48Å
2549	L	29.9	Very low	31.8	Very low	150.75 Å²	150.75	121.5 Å²	121.5	79%	0.789	63%	0.626	S	S	*	*				137.2	146.6	106.7	-81.1	166	0	0	0	112.3
2550	S	31.5	Very low	31.8	Very low	90 Å²	90	120.7 Å²	120.7	63%	0.629	62%	0.623	S	S	*	*			cis	172.4	133.8	-18.5	73.7	0	0	0	0	111.1
2551	N	32.7	Very low	31.9	Very low	131.5 Å²	131.5	117.9 Å²	117.9	70%	0.703	61%	0.613	S	S	*	*				-164.9	144.2	118.8	-73.3	-30.5	0	0	0	115.9
2552	H	34.4	Very low	32	Very low	149 Å²	149	117.6 Å²	117.6	69%	0.69	61%	0.607	S	S	*	*			trans	9.2	127.3	160.8	-76.8	-97.4	0	0	0	120.5
2553	E	30.7	Very low	32	Very low	143.25 Å²	143.25	115 Å²	115	67%	0.669	60%	0.6	S	S	*	*			trans	53.5	128.8	133.8	-69.3	163.7	-156.4	0	0	118.1	I2467 P2548	I2467-E2553 HydrophobicContact CB-CG 3.98Å; I2467-E2553 HydrophobicContact CD1-CG 3.62Å; I2467-E2553 HydrophobicContact CG1-CG 3.91Å; I2467-E2553 HydrophobicContact CG2-CG 4.35Å; P2548-E2553 HydrophobicContact CG-CG 4.48Å
2554	D	31.2	Very low	32.2	Very low	116 Å²	116	114.5 Å²	114.5	62%	0.62	60%	0.6	S	S	*	*				-179.6	131.9	59.1	-126.8	-1.6	0	0	0	112.6	I2467	I2467-D2554 CarbonylContact O-C 3.19Å; I2467-D2554 WeakPolarHBondContact O-CA 3.47Å
2555	K	32.8	Very low	32.4	Very low	141 Å²	141	113.9 Å²	113.9	61%	0.613	60%	0.603	S	S	*	*			trans	131.7	127.5	143.2	-97.9	163.2	-170.1	88.3	0	117.1	I2467 D2468 L2557	I2467-K2555 PolarHBondContact O-N 2.87Å; I2467-K2555 VanDerWaalsContact O-N 3.1Å; D2468-K2555 VanDerWaalsContact N-N 3.17Å; D2468-K2555 VanDerWaalsContact O-CA 3.22Å; D2468-K2555 WeakPolarHBondContact O-CA 3.2Å; K2555-L2557 HydrophobicContact CD-CD1 4.48Å; K2555-L2557 HydrophobicContact CG-CD1 4.41Å; K2555-L2557 PolarHBondContact O-N 3.15Å
2556	T	32.1	Very low	32.4	Very low	96.75 Å²	96.75	110.5 Å²	110.5	59%	0.594	60%	0.598	S	S	*	*			trans	-5.8	131.6	142.4	17	0	0	0	0	115.6	I2027 N2028 D2468 V2469 T2470	I2027-T2556 WeakPolarHBondContact O-CG2 3.46Å; N2028-T2556 WeakPolarHBondContact O-CG2 3.21Å; D2468-T2556 PolarHBondContact O-N 3.02Å; D2468-T2556 VanDerWaalsContact O-N 3.15Å; V2469-T2556 CarbonylContact C-O 2.8Å; V2469-T2556 WeakPolarHBondContact CA-OG1 3.34Å; V2469-T2556 PolarHBondContact N-OG1 3.35Å; V2469-T2556 VanDerWaalsContact N-OG1 3.07Å; T2470-T2556 PolarHBondContact N-O 3.28Å; T2470-T2556 PolarHBondContact N-OG1 3.5Å; T2470-T2556 VanDerWaalsContact N-OG1 3.11Å
2557	L	31.4	Very low	32.6	Very low	108.5 Å²	108.5	112 Å²	112	57%	0.568	61%	0.605	S	S	*	*			trans	108.4	146.3	150.8	-73.6	160.2	0	0	0	115.1	K2555 C2559	K2555-L2557 HydrophobicContact CD-CD1 4.48Å; K2555-L2557 HydrophobicContact CG-CD1 4.41Å; K2555-L2557 PolarHBondContact O-N 3.15Å; L2557-C2559 WeakPolarHBondContact CB-O 3.42Å; L2557-C2559 WeakPolarHBondContact CD1-O 3.38Å
2558	L	35.9	Very low	32.7	Very low	110.5 Å²	110.5	112.7 Å²	112.7	58%	0.579	61%	0.613	S	S	*	*			trans	67.3	113.4	149.4	-100	110.7	0	0	0	116.2	S2817	L2558-S2817 WeakPolarHBondContact CD1-O 3.32Å; L2558-S2817 WeakPolarHBondContact CG-O 3.03Å
2559	C	31.9	Very low	32.5	Very low	62.25 Å²	62.25	112.8 Å²	112.8	42%	0.421	62%	0.616	S	S	.	*			trans	-106.4	145	-176.7	-85.1	0	0	0	0	116	L2557 L2819 F2820	L2557-C2559 WeakPolarHBondContact CB-O 3.42Å; L2557-C2559 WeakPolarHBondContact CD1-O 3.38Å; C2559-L2819 VanDerWaalsContact CB-N 3.34Å; C2559-L2819 PolarHBondContact SG-N 3.47Å; C2559-F2820 HydrophobicContact CB-CD2 3.91Å; C2559-F2820 HydrophobicContact CB-CE2 4.37Å; C2559-F2820 HydrophobicContact CB-CG 4.42Å; C2559-F2820 WeakPolarHBondContact SG-CD2 3.04Å
2560	D	31.8	Very low	32.4	Very low	98 Å²	98	111.1 Å²	111.1	52%	0.524	61%	0.608	S	S	.	*				89.8	140.4	112.5	-74.3	-44.5	0	0	0	114.3	F2820	D2560-F2820 HydrophobicContact CB-CD1 3.75Å; D2560-F2820 HydrophobicContact CB-CD2 3.88Å; D2560-F2820 HydrophobicContact CB-CE1 3.45Å; D2560-F2820 VanDerWaalsContact CB-CE1 3.45Å; D2560-F2820 HydrophobicContact CB-CE2 3.57Å; D2560-F2820 HydrophobicContact CB-CG 3.95Å; D2560-F2820 HydrophobicContact CB-CZ 3.34Å; D2560-F2820 WeakPolarHBondContact O-CA 3.07Å; D2560-F2820 PolarHBondContact O-N 3.37Å; D2560-F2820 WeakPolarHBondContact OD2-CE2 3.03Å; D2560-F2820 WeakPolarHBondContact OD2-CZ 2.96Å
2561	T	35.4	Very low	32.4	Very low	87 Å²	87	115.8 Å²	115.8	53%	0.534	62%	0.617	S	S	.	*				138.2	122.5	109.7	7.1	0	0	0	0	114.6	N2025 N2026 F2820 N2821 S2822	N2025-T2561 VanDerWaalsContact O-O 3.04Å; N2026-T2561 WeakPolarHBondContact CB-O 3.24Å; N2026-T2561 CarbonylContact O-C 3.31Å; T2561-F2820 HydrophobicContact CG2-CD1 3.81Å; T2561-F2820 HydrophobicContact CG2-CE1 4.03Å; T2561-F2820 WeakPolarHBondContact OG1-CA 3.14Å; T2561-F2820 WeakPolarHBondContact OG1-CD1 3.24Å; T2561-N2821 WeakPolarHBondContact OG1-CA 3.32Å; T2561-N2821 PolarHBondContact OG1-N 3.38Å; T2561-S2822 PolarHBondContact OG1-N 2.97Å
2562	D	33.1	Very low	32.2	Very low	109.75 Å²	109.75	115.5 Å²	115.5	59%	0.587	62%	0.62	S	S	*	*				34.2	164.4	119.6	-89.3	-47.5	0	0	0	113.8	K1626 N2025 N2026 I2564	K1626-D2562 PolarHBondContact N-OD1 3.13Å; N2025-D2562 CarbonylContact O-C 3.52Å; N2026-D2562 PolarHBondContact O-N 3.25Å; D2562-I2564 PolarHBondContact O-N 3.21Å
2563	D	31.2	Very low	31.9	Very low	95 Å²	95	113.6 Å²	113.6	51%	0.508	62%	0.623	S	S	.	*			trans	88.6	116.9	160	-74.8	-18.3	0	0	0	117.8	K1626 S1627 N2023 N2024 N2025 T2823	K1626-D2563 VanDerWaalsContact C-OD1 3.26Å; K1626-D2563 VanDerWaalsContact O-OD1 3.05Å; S1627-D2563 PolarHBondContact N-OD1 2.91Å; S1627-D2563 VanDerWaalsContact O-CG 3.3Å; N2023-D2563 VanDerWaalsContact CA-OD2 3.32Å; N2023-D2563 WeakPolarHBondContact CA-OD2 3.43Å; N2024-D2563 VanDerWaalsContact C-OD1 3.24Å; N2024-D2563 WeakPolarHBondContact CA-OD1 3.39Å; N2024-D2563 PolarHBondContact N-OD1 3.08Å; N2024-D2563 PolarHBondContact N-OD2 2.74Å; N2024-D2563 CarbonylContact O-C 3.55Å; N2025-D2563 VanDerWaalsContact C-N 3.3Å; N2025-D2563 VanDerWaalsContact N-N 3.13Å; N2025-D2563 PolarHBondContact N-OD1 3.07Å; N2025-D2563 PolarHBondContact O-N 3.06Å; D2563-T2823 HydrophobicContact CB-CG2 3.59Å
2564	I	34	Very low	32.3	Very low	117 Å²	117	111.5 Å²	111.5	60%	0.6	62%	0.623	S	S	*	*				-157.6	124.7	64	-80.8	155.7	0	0	0	111.1	N2024 N2025 D2562	N2024-I2564 CarbonylContact O-C 3.54Å; N2024-I2564 WeakPolarHBondContact O-CA 3.23Å; N2024-I2564 PolarHBondContact O-N 3.43Å; N2025-I2564 VanDerWaalsContact CB-O 3.3Å; N2025-I2564 WeakPolarHBondContact CB-O 3.38Å; N2025-I2564 PolarHBondContact ND2-O 2.82Å; D2562-I2564 PolarHBondContact O-N 3.21Å
2565	L	33.3	Very low	32.3	Very low	130.5 Å²	130.5	112.8 Å²	112.8	68%	0.683	63%	0.629	S	S	*	*			trans	20.2	135.5	157.2	-60.3	166.6	0	0	0	119.7	S1625 K1626 N2024 N2025 E2567	S1625-L2565 VanDerWaalsContact CB-CD2 3.49Å; K1626-L2565 HydrophobicContact CG-CD2 4.49Å; N2024-L2565 HydrophobicContact CB-CD2 4.28Å; N2024-L2565 HydrophobicContact CB-CG 4.22Å; N2024-L2565 PolarHBondContact O-N 2.83Å; N2025-L2565 WeakPolarHBondContact ND2-CA 3.15Å; L2565-E2567 PolarHBondContact O-N 3.22Å
2566	S	32	Very low	32.2	Very low	81.75 Å²	81.75	111.6 Å²	111.6	57%	0.572	63%	0.634	S	S	*	*			trans	-175.5	134.4	132.1	-80.4	0	0	0	0	111.7	S1625 N2025	S1625-S2566 WeakPolarHBondContact CA-OG 3.06Å; S1625-S2566 WeakPolarHBondContact CB-OG 3.38Å; S1625-S2566 PolarHBondContact N-OG 3.14Å; S1625-S2566 WeakPolarHBondContact OG-CB 3.39Å; S1625-S2566 PolarHBondContact OG-OG 3.11Å; N2025-S2566 PolarHBondContact ND2-N 3.03Å
2567	E	33.6	Very low	32	Very low	168.25 Å²	168.25	113.5 Å²	113.5	79%	0.786	64%	0.64	S	S	*	*			trans	62.4	130	130.1	-80.6	175.8	154.3	0	0	119	F1623 L2565	F1623-E2567 PolarHBondContact N-OE1 2.37Å; F1623-E2567 VanDerWaalsContact O-CD 3.28Å; F1623-E2567 WeakPolarHBondContact O-CG 2.94Å; L2565-E2567 PolarHBondContact O-N 3.22Å
2568	S	31.8	Very low	32	Very low	98.5 Å²	98.5	115.9 Å²	115.9	69%	0.689	65%	0.649	S	S	*	*			trans	-168.8	137.6	158.5	58.9	0	0	0	0	115.7	S1622 F1623 I1624	S1622-S2568 WeakPolarHBondContact CA-O 3.24Å; S1622-S2568 WeakPolarHBondContact CB-O 3.18Å; F1623-S2568 WeakPolarHBondContact CA-O 3.38Å; I1624-S2568 VanDerWaalsContact CG1-CA 3.42Å
2569	S	31.8	Very low	31.8	Very low	83.5 Å²	83.5	117.7 Å²	117.7	58%	0.584	66%	0.658	S	S	*	*			trans	130.3	136.2	147.5	51.9	0	0	0	0	117	S1622 F1623	S1622-S2569 WeakPolarHBondContact CB-O 3.43Å; S1622-S2569 WeakPolarHBondContact CB-OG 3.35Å; F1623-S2569 WeakPolarHBondContact CE1-O 3.22Å
2570	N	28.6	Very low	31.9	Very low	115.25 Å²	115.25	120.2 Å²	120.2	62%	0.616	67%	0.671	S	S	*	*			trans	119.9	147.4	145.6	-74.4	-16.9	0	0	0	116.9	I1621	I1621-N2570 HydrophobicContact CG2-CB 3.46Å; I1621-N2570 VanDerWaalsContact CG2-CB 3.46Å
2571	F	30.9	Very low	31.9	Very low	188.5 Å²	188.5	120.9 Å²	120.9	83%	0.827	68%	0.683	S	S	*	*				150.7	136.8	92.5	-87.3	-84.1	0	0	0	115.7
2572	V	28.5	Very low	31.7	Very low	126 Å²	126	119.5 Å²	119.5	76%	0.764	69%	0.685	S	S	*	*			trans	87.3	129.5	149.6	-178.1	0	0	0	0	115.2
2573	S	27.9	Very low	31.6	Very low	107.5 Å²	107.5	118.7 Å²	118.7	75%	0.752	69%	0.688	S	S	*	*			trans	-83.6	173.2	174.3	-26.2	0	0	0	0	113.6
2574	P	39.3	Very low	31.6	Very low	101 Å²	101	119.3 Å²	119.3	66%	0.656	70%	0.696	S	S	*	*			cis	-130.7	-164.9	-9	38.1	-19.4	0	0	0	113.8
2575	D	30.1	Very low	31.5	Very low	142.25 Å²	142.25	121.5 Å²	121.5	76%	0.761	70%	0.703	S	S	*	*			trans	50.7	118.6	152.2	-67.8	-24.4	0	0	0	117.4
2576	T	31.8	Very low	31.4	Very low	115.75 Å²	115.75	119.6 Å²	119.6	71%	0.71	70%	0.701	S	S	*	*			trans	126	132	135.2	29.9	0	0	0	0	116	C2581 G2582	T2576-C2581 CarbonylContact O-C 3.23Å; T2576-C2581 PolarHBondContact O-N 3.48Å; T2576-C2581 WeakPolarHBondContact OG1-CB 3.37Å; T2576-G2582 PolarHBondContact O-N 3.31Å; T2576-G2582 VanDerWaalsContact O-N 3.08Å
2577	D	28.6	Very low	31.4	Very low	136.75 Å²	136.75	124.4 Å²	124.4	73%	0.731	71%	0.707	S	S	*	*			trans	-4.8	136.1	147.2	-90.9	-27	0	0	0	116.3	V2580 C2581	D2577-V2580 CarbonylContact C-O 3.54Å; D2577-V2580 VanDerWaalsContact C-O 3.22Å; D2577-V2580 CarbonylContact O-C 3.38Å; D2577-V2580 VanDerWaalsContact O-C 3.32Å; D2577-C2581 PolarHBondContact O-N 3.47Å
2578	Q	31	Very low	31.3	Very low	159.5 Å²	159.5	120.9 Å²	120.9	75%	0.745	70%	0.701	S	S	*	*				96.3	136.5	128.4	-93.2	-178.3	45.4	0	0	117.7	V2580	Q2578-V2580 CarbonylContact C-O 2.91Å; Q2578-V2580 WeakPolarHBondContact CA-O 3.46Å; Q2578-V2580 PolarHBondContact N-O 3.15Å
2579	L	31.3	Very low	31.5	Very low	146.75 Å²	146.75	121.5 Å²	121.5	77%	0.768	71%	0.706	S	S	*	*				62.8	102.5	122.8	-58.5	171.8	0	0	0	119.3
2580	V	33.3	Very low	31.6	Very low	116 Å²	116	122.5 Å²	122.5	70%	0.703	71%	0.713	S	S	*	*			cis	94.3	133.4	43.2	149.3	0	0	0	0	112.5	D2577 Q2578	D2577-V2580 CarbonylContact C-O 3.54Å; D2577-V2580 VanDerWaalsContact C-O 3.22Å; D2577-V2580 CarbonylContact O-C 3.38Å; D2577-V2580 VanDerWaalsContact O-C 3.32Å; Q2578-V2580 CarbonylContact C-O 2.91Å; Q2578-V2580 WeakPolarHBondContact CA-O 3.46Å; Q2578-V2580 PolarHBondContact N-O 3.15Å
2581	C	31.8	Very low	31.8	Very low	112.25 Å²	112.25	123 Å²	123	76%	0.758	72%	0.72	S	S	*	*				135.5	123.9	72.7	-94.7	0	0	0	0	116.6	T2576 D2577	T2576-C2581 CarbonylContact O-C 3.23Å; T2576-C2581 PolarHBondContact O-N 3.48Å; T2576-C2581 WeakPolarHBondContact OG1-CB 3.37Å; D2577-C2581 PolarHBondContact O-N 3.47Å
2582	G	30.9	Very low	31.9	Very low	57 Å²	57	121.2 Å²	121.2	59%	0.588	72%	0.718	S	S	*	*				156.4	155	83.5	0	0	0	0	0	113	T2576 T2829	T2576-G2582 PolarHBondContact O-N 3.31Å; T2576-G2582 VanDerWaalsContact O-N 3.08Å; G2582-T2829 WeakPolarHBondContact CA-OG1 3.02Å
2583	S	31.7	Very low	32.2	Very low	92.75 Å²	92.75	120.1 Å²	120.1	65%	0.649	72%	0.716	S	S	*	*			trans	125.1	135.5	167.9	-50	0	0	0	0	112.4	T2829	S2583-T2829 PolarHBondContact N-OG1 3.42Å; S2583-T2829 WeakPolarHBondContact O-CG2 3.4Å
2584	T	31.1	Very low	32.3	Very low	109.25 Å²	109.25	122.1 Å²	122.1	67%	0.67	72%	0.718	S	S	*	*			cis	140.1	159.6	44.4	43.8	0	0	0	0	115.3
2585	H	31.6	Very low	32	Very low	163 Å²	163	122.9 Å²	122.9	76%	0.755	72%	0.716	S	S	*	*				50.6	161.4	126.2	-49.3	-77.7	0	0	0	117.2
2586	S	31.4	Very low	32	Very low	90 Å²	90	123.1 Å²	123.1	63%	0.629	72%	0.716	S	S	*	*			cis	-163.1	157.5	40.5	-102.2	0	0	0	0	112
2587	Y	31.7	Very low	31.9	Very low	182 Å²	182	122.9 Å²	122.9	71%	0.714	71%	0.711	S	S	*	*			trans	137	145.4	154.8	-52	-76.1	0	0	0	113.8	N2420 N2421	N2420-Y2587 HydrophobicContact CB-CD1 3.36Å; N2420-Y2587 HydrophobicContact CB-CE1 3.87Å; N2420-Y2587 HydrophobicContact CB-CG 4.08Å; N2421-Y2587 HydrophobicContact CB-CD2 4.27Å; N2421-Y2587 HydrophobicContact CB-CE2 4.1Å; N2421-Y2587 PolarHBondContact ND2-OH 2.88Å
2588	S	31.9	Very low	32	Very low	94.75 Å²	94.75	124.6 Å²	124.6	66%	0.663	71%	0.714	S	S	*	*			cis	171.9	131	9.7	33.4	0	0	0	0	110.8	N2419 S2590	N2419-S2588 WeakPolarHBondContact O-CB 3.45Å; S2588-S2590 WeakPolarHBondContact CA-OG 3.49Å; S2588-S2590 WeakPolarHBondContact CB-OG 3.38Å
2589	S	36.8	Very low	32.2	Very low	112 Å²	112	121.2 Å²	121.2	78%	0.783	71%	0.708	S	S	*	*				-173.9	137.3	116.3	46.8	0	0	0	0	112.9
2590	S	33.9	Very low	32.2	Very low	104 Å²	104	120.4 Å²	120.4	73%	0.727	71%	0.705	S	S	*	*			cis	144.7	170.2	24.7	59.6	0	0	0	0	115.8	S2588 L2592	S2588-S2590 WeakPolarHBondContact CA-OG 3.49Å; S2588-S2590 WeakPolarHBondContact CB-OG 3.38Å; S2590-L2592 PolarHBondContact O-N 2.75Å
2591	V	31.2	Very low	32.1	Very low	126 Å²	126	119.5 Å²	119.5	76%	0.764	70%	0.704	S	S	*	*			trans	53.4	125.8	-177.8	-167.6	0	0	0	0	114
2592	L	34.1	Very low	31.8	Very low	150.5 Å²	150.5	119.3 Å²	119.3	79%	0.788	70%	0.699	S	S	*	*				-172.1	150.9	109.4	-89.7	156.7	0	0	0	114.1	S2590	S2590-L2592 PolarHBondContact O-N 2.75Å
2593	S	34.7	Very low	31.7	Very low	103.75 Å²	103.75	123.3 Å²	123.3	73%	0.726	71%	0.705	S	S	*	*			trans	115.5	130.7	167.8	-57.3	0	0	0	0	114.6	I2595	S2593-I2595 VanDerWaalsContact C-N 3.31Å; S2593-I2595 PolarHBondContact O-N 2.62Å
2594	N	29.9	Very low	31.5	Very low	148.25 Å²	148.25	124.6 Å²	124.6	79%	0.793	71%	0.709	S	S	*	*			trans	-76.2	121	159.4	-101.8	-5.9	0	0	0	112.8
2595	I	32.4	Very low	31.3	Very low	119.25 Å²	119.25	125.1 Å²	125.1	61%	0.612	71%	0.712	S	S	*	*				-169.2	121.9	96.6	-71.7	170.9	0	0	0	114.1	H2546 S2593	H2546-I2595 HydrophobicContact CB-CG2 3.77Å; H2546-I2595 WeakPolarHBondContact O-CB 3.21Å; H2546-I2595 WeakPolarHBondContact O-CD1 3.13Å; H2546-I2595 WeakPolarHBondContact O-CG2 3.2Å; S2593-I2595 VanDerWaalsContact C-N 3.31Å; S2593-I2595 PolarHBondContact O-N 2.62Å
2596	L	31.3	Very low	31.1	Very low	145 Å²	145	122.2 Å²	122.2	76%	0.759	71%	0.71	S	S	*	*			trans	66.8	153.3	150.7	-69.9	172.6	0	0	0	118
2597	D	30.2	Very low	31.1	Very low	112 Å²	112	122.8 Å²	122.8	60%	0.599	71%	0.714	S	S	*	*				138.9	160.2	54.5	-121.8	-5.9	0	0	0	115.1	S2599 D2600	D2597-S2599 WeakPolarHBondContact CB-O 3.1Å; D2597-S2599 VanDerWaalsContact CG-C 3.44Å; D2597-S2599 PolarHBondContact OD1-N 3.09Å; D2597-S2599 VanDerWaalsContact OD2-CA 3.3Å; D2597-S2599 WeakPolarHBondContact OD2-CA 2.97Å; D2597-S2599 PolarHBondContact OD2-N 2.85Å; D2597-S2599 VanDerWaalsContact OD2-O 3.05Å; D2597-S2599 PolarHBondContact OD2-OG 2.71Å; D2597-D2600 WeakPolarHBondContact O-CA 3.09Å; D2597-D2600 PolarHBondContact O-N 2.72Å
2598	Q	30.6	Very low	31	Very low	171.75 Å²	171.75	120.4 Å²	120.4	80%	0.803	72%	0.719	S	S	*	*			trans	-61.1	114.5	149.8	-93.5	176.3	46.4	0	0	113.4
2599	S	34.3	Very low	30.7	Very low	89.75 Å²	89.75	120.2 Å²	120.2	63%	0.628	72%	0.722	S	S	*	*				118.7	96.7	99.9	-6.6	0	0	0	0	116.6	D2597	D2597-S2599 WeakPolarHBondContact CB-O 3.1Å; D2597-S2599 VanDerWaalsContact CG-C 3.44Å; D2597-S2599 PolarHBondContact OD1-N 3.09Å; D2597-S2599 VanDerWaalsContact OD2-CA 3.3Å; D2597-S2599 WeakPolarHBondContact OD2-CA 2.97Å; D2597-S2599 PolarHBondContact OD2-N 2.85Å; D2597-S2599 VanDerWaalsContact OD2-O 3.05Å; D2597-S2599 PolarHBondContact OD2-OG 2.71Å
2600	D	31.7	Very low	30.4	Very low	129.25 Å²	129.25	122.4 Å²	122.4	69%	0.691	72%	0.724	S	S	*	*			trans	83.2	157.8	132.5	-104.8	-14.6	0	0	0	115.6	D2597	D2597-D2600 WeakPolarHBondContact O-CA 3.09Å; D2597-D2600 PolarHBondContact O-N 2.72Å
2601	S	30.2	Very low	30	Very low	97 Å²	97	123.3 Å²	123.3	68%	0.678	73%	0.725	S	S	*	*			trans	-118.4	102.5	-168.2	30.1	0	0	0	0	117.5	I2603	S2601-I2603 PolarHBondContact O-N 3.07Å
2602	V	26.5	Very low	29.8	Very low	108.667 Å²	108.667	122.7 Å²	122.7	66%	0.659	72%	0.722	S	S	*	*			trans	-58.2	133.6	165.9	164.4	0	0	0	0	117.6
2603	I	28.4	Very low	29.4	Very low	141.333 Å²	141.333	121.5 Å²	121.5	73%	0.725	72%	0.721	S	S	*	*			trans	101.4	108	157.3	-69	179.2	0	0	0	114.9	S2601	S2601-I2603 PolarHBondContact O-N 3.07Å
2604	V	27	Very low	29	Very low	119.333 Å²	119.333	122.1 Å²	122.1	72%	0.723	72%	0.72	S	S	*	*				72.2	118.2	90.2	169.6	0	0	0	0	114.7
2605	T	27.8	Very low	28.9	Very low	119.667 Å²	119.667	121.3 Å²	121.3	73%	0.734	72%	0.721	S	S	*	*			cis	-149.2	152	38.5	26.9	0	0	0	0	116.3
2606	S	28.2	Very low	28.6	Very low	101 Å²	101	122.4 Å²	122.4	71%	0.706	73%	0.727	S	S	*	*			trans	39.5	137.8	141.4	67.7	0	0	0	0	119.7
2607	S	30	Very low	28.5	Very low	104 Å²	104	122.3 Å²	122.3	73%	0.727	73%	0.727	S	S	*	*			trans	92.7	129.6	144.4	58.2	0	0	0	0	116.9
2608	T	29.8	Very low	28.3	Very low	131.333 Å²	131.333	123.6 Å²	123.6	81%	0.806	73%	0.734	S	S	*	*				111.8	113	80.3	44.4	0	0	0	0	117.3
2609	A	26.5	Very low	28.3	Very low	89.6667 Å²	89.6667	121.6 Å²	121.6	74%	0.741	73%	0.734	S	S	*	*			trans	76.8	159	132.4	0	0	0	0	0	120.3
2610	I	29.2	Very low	28.1	Very low	158.333 Å²	158.333	123.8 Å²	123.8	81%	0.812	74%	0.738	S	S	*	*			trans	91.3	129.5	149.4	-57	163.9	0	0	0	112.3
2611	T	26.6	Very low	27.9	Very low	122.667 Å²	122.667	126.3 Å²	126.3	75%	0.753	74%	0.743	S	S	*	*				-118.2	148.9	61.9	-36.9	0	0	0	0	113.5
2612	T	26.2	Very low	27.7	Very low	114.667 Å²	114.667	126.4 Å²	126.4	70%	0.703	74%	0.74	S	S	*	*			trans	43.5	114.7	166.1	37	0	0	0	0	117.5
2613	T	26.9	Very low	27.9	Very low	125.667 Å²	125.667	127.7 Å²	127.7	77%	0.771	74%	0.744	S	S	*	*				83	116.7	115.3	55.4	0	0	0	0	116.2
2614	T	24.9	Very low	28	Very low	115.333 Å²	115.333	127.3 Å²	127.3	71%	0.708	74%	0.743	S	S	*	*			trans	177.4	154	138.1	46.7	0	0	0	0	115
2615	T	28.6	Very low	28.1	Very low	132.333 Å²	132.333	128.8 Å²	128.8	81%	0.812	75%	0.746	S	S	*	*			trans	103.1	124	163.5	58.2	0	0	0	0	114.8
2616	I	25.7	Very low	28.2	Very low	141 Å²	141	127.7 Å²	127.7	72%	0.723	74%	0.743	S	S	*	*			cis	-159	141	-2.4	-72.1	165.3	0	0	0	110.3
2617	N	29.1	Very low	28.1	Very low	144.333 Å²	144.333	132.6 Å²	132.6	77%	0.772	75%	0.751	S	S	*	*			trans	166.9	141	144.9	-95.1	-27.5	0	0	0	111.4
2618	N	26.9	Very low	27.8	Very low	139 Å²	139	132.4 Å²	132.4	74%	0.743	75%	0.751	S	S	*	*				93.7	99.5	56.4	-85.1	-9.8	0	0	0	115
2619	T	30.3	Very low	27.6	Very low	129 Å²	129	131.6 Å²	131.6	79%	0.791	75%	0.749	S	S	*	*			trans	-128.7	133.8	143.7	42.9	0	0	0	0	109.9
2620	N	29.8	Very low	27.4	Very low	136 Å²	136	133.9 Å²	133.9	73%	0.727	75%	0.749	S	S	*	*				-173.2	130.8	122	-85.8	-20.8	0	0	0	114.9
2621	F	26.2	Very low	27.3	Very low	181.333 Å²	181.333	132.7 Å²	132.7	80%	0.795	74%	0.741	S	S	*	*			trans	49.4	124.9	142.3	-75.4	-94.8	0	0	0	121.9
2622	T	27.1	Very low	27.3	Very low	100.333 Å²	100.333	131.3 Å²	131.3	62%	0.616	73%	0.729	S	S	*	*			cis	159.2	142.9	15	11.2	0	0	0	0	114.4
2623	N	30.9	Very low	27.5	Very low	136.333 Å²	136.333	130.8 Å²	130.8	73%	0.729	72%	0.722	S	S	*	*			trans	61.2	118.4	153.3	-59.6	-8.2	0	0	0	118.3
2624	N	30.7	Very low	27.7	Very low	132.667 Å²	132.667	130.4 Å²	130.4	71%	0.709	71%	0.714	S	S	*	*				97	140.8	50.4	-77.7	-11.7	0	0	0	113.7
2625	L	28.1	Very low	28	Very low	150.667 Å²	150.667	128.4 Å²	128.4	79%	0.789	71%	0.705	S	S	*	*			cis	176.3	155.6	10.6	-119.5	107.9	0	0	0	111.4
2626	S	31.4	Very low	28	Very low	96 Å²	96	126.2 Å²	126.2	67%	0.671	69%	0.691	S	S	*	*			trans	-115.9	152.4	166.6	56.1	0	0	0	0	113
2627	K	25	Very low	28	Very low	203 Å²	203	125 Å²	125	88%	0.883	69%	0.686	S	S	*	*			trans	75	161.4	153.3	-87.5	179.4	179.7	-178.1	0	116.8
2628	S	24.6	Very low	27.9	Very low	101.667 Å²	101.667	127.2 Å²	127.2	71%	0.711	69%	0.685	S	S	*	*			trans	-145.3	152.9	150.3	49.4	0	0	0	0	116
2629	C	24.6	Very low	28.2	Very low	113.333 Å²	113.333	125.5 Å²	125.5	77%	0.766	68%	0.684	S	S	*	*			trans	37	139.7	143.3	-55.3	0	0	0	0	115.7
2630	D	23.3	Very low	28.3	Very low	138.333 Å²	138.333	122.6 Å²	122.6	74%	0.74	68%	0.68	S	S	*	*				163.9	140.9	121.2	-99.8	-25.9	0	0	0	113.2
2631	M	25.4	Very low	28.1	Very low	133.333 Å²	133.333	124.8 Å²	124.8	66%	0.657	69%	0.686	S	S	*	*				58.8	121.5	123.9	-59.5	-77.9	-83.5	0	0	115.1	L2633	M2631-L2633 HydrophobicContact CE-CD1 3.98Å
2632	N	26.8	Very low	28.3	Very low	93 Å²	93	123.1 Å²	123.1	50%	0.497	68%	0.684	S	S	.	*				175.9	154.7	66.8	-92.8	-9	0	0	0	114	I2035 E2036 L2634	I2035-N2632 VanDerWaalsContact CG1-O 3.31Å; I2035-N2632 WeakPolarHBondContact CG1-O 3.2Å; I2035-N2632 WeakPolarHBondContact CG2-O 3.27Å; E2036-N2632 VanDerWaalsContact CB-O 3.23Å; E2036-N2632 WeakPolarHBondContact CB-O 2.99Å; E2036-N2632 PolarHBondContact N-O 3.38Å; E2036-N2632 WeakPolarHBondContact OE2-CB 3.25Å; E2036-N2632 PolarHBondContact OE2-ND2 3Å; N2632-L2634 HydrophobicContact CB-CD1 4.29Å
2633	L	31	Very low	28.5	Very low	105 Å²	105	123 Å²	123	55%	0.55	69%	0.688	S	S	.	*				70.5	133.7	60.1	-101.5	115.8	0	0	0	113.8	I2035 E2036 F2524 M2631	I2035-L2633 CarbonylContact C-O 3.36Å; I2035-L2633 WeakPolarHBondContact CA-O 3.47Å; I2035-L2633 WeakPolarHBondContact CG1-O 3.13Å; E2036-L2633 HydrophobicContact CG-CB 3.55Å; E2036-L2633 PolarHBondContact N-O 3.32Å; E2036-L2633 WeakPolarHBondContact OE1-CB 3.23Å; E2036-L2633 WeakPolarHBondContact OE1-CD2 3.34Å; F2524-L2633 HydrophobicContact CB-CD2 4.23Å; F2524-L2633 HydrophobicContact CD2-CD2 3.98Å; F2524-L2633 HydrophobicContact CG-CD2 4.48Å; M2631-L2633 HydrophobicContact CE-CD1 3.98Å
2634	L	31.1	Very low	28.7	Very low	117 Å²	117	123.4 Å²	123.4	61%	0.613	69%	0.69	S	S	*	*			trans	106.6	144	135.1	-78.6	166.4	0	0	0	112.3	Q2523 F2524 N2632	Q2523-L2634 WeakPolarHBondContact O-CD1 3.15Å; F2524-L2634 HydrophobicContact CB-CD1 4.09Å; N2632-L2634 HydrophobicContact CB-CD1 4.29Å
2635	S	30.6	Very low	29	Very low	73 Å²	73	123.5 Å²	123.5	51%	0.51	69%	0.69	S	S	.	*			cis	-176.1	137.5	35.8	28.7	0	0	0	0	115.1	D2033 F2524 E2525	D2033-S2635 VanDerWaalsContact CB-N 3.34Å; D2033-S2635 VanDerWaalsContact OD2-O 3.1Å; F2524-S2635 PolarHBondContact O-OG 3.43Å; E2525-S2635 WeakPolarHBondContact O-CB 3.32Å; E2525-S2635 PolarHBondContact O-OG 2.84Å
2636	T	29.1	Very low	29.2	Very low	85.6667 Å²	85.6667	121.1 Å²	121.1	53%	0.526	68%	0.683	S	S	.	*				53.4	130.4	87.1	46.7	0	0	0	0	117.7	S2031 D2033	S2031-T2636 CarbonylContact O-C 3.38Å; S2031-T2636 WeakPolarHBondContact O-CA 2.94Å; D2033-T2636 PolarHBondContact OD2-N 3.15Å
2637	N	26	Very low	28.9	Very low	115 Å²	115	123.9 Å²	123.9	62%	0.615	69%	0.69	S	S	*	*				92.7	131.4	114.8	-79	-14.1	0	0	0	117.7	S2031 I2032	S2031-N2637 PolarHBondContact O-N 3.36Å; I2032-N2637 VanDerWaalsContact CD1-OD1 3.28Å; I2032-N2637 WeakPolarHBondContact CD1-OD1 3.31Å
2638	Y	27.8	Very low	29.3	Very low	192 Å²	192	121.7 Å²	121.7	75%	0.753	69%	0.686	S	S	*	*			trans	84.2	138.6	133.6	-79.4	-103	0	0	0	116.8	P2806	Y2638-P2806 WeakPolarHBondContact CD2-O 2.96Å
2639	S	32.6	Very low	29.5	Very low	102 Å²	102	121.3 Å²	121.3	71%	0.713	68%	0.683	S	S	*	*			cis	165.7	145.1	1.1	58.7	0	0	0	0	113.9
2640	G	31.9	Very low	29.5	Very low	69 Å²	69	123.3 Å²	123.3	71%	0.711	68%	0.683	S	S	*	*				116.3	123.6	124.9	0	0	0	0	0	112.9
2641	Q	26.7	Very low	29.8	Very low	182 Å²	182	124.6 Å²	124.6	85%	0.85	69%	0.685	S	S	*	*				-64.8	144.1	52.1	-68.3	-173.9	-4	0	0	112.2
2642	L	30.4	Very low	29.8	Very low	146 Å²	146	124.1 Å²	124.1	76%	0.764	69%	0.689	S	S	*	*			cis	-124.9	149.3	42.6	-83.6	143	0	0	0	113.9	N2644	L2642-N2644 VanDerWaalsContact C-N 3.28Å; L2642-N2644 PolarHBondContact O-N 2.9Å; L2642-N2644 PolarHBondContact O-ND2 3.45Å
2643	S	30.7	Very low	29.7	Very low	98.3333 Å²	98.3333	129.3 Å²	129.3	69%	0.688	71%	0.708	S	S	*	*			trans	-28.1	129	162.1	61.9	0	0	0	0	113.1	L2645	S2643-L2645 VanDerWaalsContact C-N 3.32Å; S2643-L2645 PolarHBondContact OG-N 3.48Å
2644	N	35.5	Very low	29.6	Very low	143.667 Å²	143.667	129.1 Å²	129.1	77%	0.768	71%	0.712	S	S	*	*			cis	-131	105.4	4.8	-102.3	-7.8	0	0	0	114.1	L2642	L2642-N2644 VanDerWaalsContact C-N 3.28Å; L2642-N2644 PolarHBondContact O-N 2.9Å; L2642-N2644 PolarHBondContact O-ND2 3.45Å
2645	L	35.6	Very low	29.4	Very low	135.667 Å²	135.667	129.6 Å²	129.6	71%	0.71	72%	0.72	S	S	*	*			trans	89.3	147.7	147.5	-81.7	102	0	0	0	116.4	S2643	S2643-L2645 VanDerWaalsContact C-N 3.32Å; S2643-L2645 PolarHBondContact OG-N 3.48Å
2646	P	33.6	Very low	29.2	Very low	100.333 Å²	100.333	132 Å²	132	65%	0.652	73%	0.732	S	S	*	*				-122.9	166.2	-63.3	37.7	-26	0	0	0	114.6
2647	L	25.8	Very low	29.1	Very low	155 Å²	155	133.8 Å²	133.8	81%	0.812	74%	0.743	S	S	*	*			trans	44	134.3	160.9	-64.5	158.4	0	0	0	118.7
2648	I	32.9	Very low	29	Very low	155.333 Å²	155.333	133.6 Å²	133.6	80%	0.797	75%	0.749	S	S	*	*				-178.7	143.9	112.8	-90	155.8	0	0	0	112.6
2649	S	28	Very low	29	Very low	94.6667 Å²	94.6667	130.7 Å²	130.7	66%	0.662	75%	0.752	S	S	*	*			trans	-32.6	154.1	162.5	91.7	0	0	0	0	117
2650	M	25.7	Very low	28.6	Very low	155.333 Å²	155.333	131.5 Å²	131.5	77%	0.765	75%	0.753	S	S	*	*				98.7	153.6	66.6	-100.8	170.5	77	0	0	114.2
2651	E	28.1	Very low	28.4	Very low	165.333 Å²	165.333	134.4 Å²	134.4	77%	0.773	76%	0.756	S	S	*	*			trans	97.5	134.7	169.2	-90.8	173.6	180	0	0	114.5
2652	V	27.1	Very low	28.3	Very low	122 Å²	122	128.4 Å²	128.4	74%	0.739	74%	0.744	S	S	*	*				99.2	116.4	52.3	179.8	0	0	0	0	114.4	P2654	V2652-P2654 HydrophobicContact CG1-CG 4.04Å
2653	F	24.6	Very low	28.1	Very low	202.667 Å²	202.667	126.9 Å²	126.9	89%	0.889	74%	0.74	S	S	*	*			trans	-89.6	159.3	145	-86.2	-90.1	0	0	0	110.2
2654	P	28.1	Very low	28	Very low	100.333 Å²	100.333	126.9 Å²	126.9	65%	0.652	74%	0.738	S	S	*	*				-129.2	154.2	-125.7	20.7	1.6	0	0	0	115.7	V2652	V2652-P2654 HydrophobicContact CG1-CG 4.04Å
2655	V	26.8	Very low	27.5	Very low	128.333 Å²	128.333	124.6 Å²	124.6	78%	0.778	73%	0.733	S	S	*	*			trans	59.5	120.5	141.5	174.8	0	0	0	0	117.2	T2657	V2655-T2657 HydrophobicContact CG1-CG2 4.15Å; V2655-T2657 PolarHBondContact O-N 3.23Å
2656	T	26.6	Very low	27.2	Very low	124.333 Å²	124.333	127 Å²	127	76%	0.763	74%	0.74	S	S	*	*			cis	-115.3	129.1	42.9	-9.6	0	0	0	0	111.7
2657	T	26.9	Very low	26.9	Very low	123.333 Å²	123.333	126.5 Å²	126.5	76%	0.757	74%	0.739	S	S	*	*			trans	-4.4	129.7	159	46.7	0	0	0	0	117	V2655	V2655-T2657 HydrophobicContact CG1-CG2 4.15Å; V2655-T2657 PolarHBondContact O-N 3.23Å
2658	C	24.2	Very low	27	Very low	109.333 Å²	109.333	125.4 Å²	125.4	74%	0.739	73%	0.734	S	S	*	*			trans	-143.4	129.7	139.4	-97.2	0	0	0	0	109.5	T2660	C2658-T2660 PolarHBondContact O-N 3.22Å
2659	T	26.4	Very low	26.7	Very low	131 Å²	131	123.7 Å²	123.7	80%	0.804	73%	0.727	S	S	*	*			trans	36.2	131.6	159.7	54.9	0	0	0	0	114.3
2660	T	25.9	Very low	26.8	Very low	120 Å²	120	130 Å²	130	74%	0.736	74%	0.738	S	S	*	*			cis	-131.2	164.2	14.7	24.6	0	0	0	0	110.3	C2658	C2658-T2660 PolarHBondContact O-N 3.22Å
2661	V	26	Very low	26.6	Very low	129 Å²	129	126.8 Å²	126.8	78%	0.782	73%	0.729	S	S	*	*			trans	59.4	136.5	134	166.1	0	0	0	0	115.1	V2663	V2661-V2663 HydrophobicContact CB-CG2 4.15Å; V2661-V2663 HydrophobicContact CG1-CG2 4Å; V2661-V2663 HydrophobicContact CG2-CG2 3.61Å
2662	G	25.8	Very low	26.5	Very low	57.3333 Å²	57.3333	125.7 Å²	125.7	59%	0.591	73%	0.727	S	S	*	*			trans	142.9	108.9	145.6	0	0	0	0	0	115.4	L2054	L2054-G2662 VanDerWaalsContact CD2-O 3.3Å; L2054-G2662 WeakPolarHBondContact CD2-O 3.32Å
2663	V	25.9	Very low	26.6	Very low	114 Å²	114	125.9 Å²	125.9	69%	0.691	72%	0.724	S	S	*	*			trans	83	155.1	139.8	-165.4	0	0	0	0	113.6	D2052 V2661	D2052-V2663 HydrophobicContact CB-CB 4.5Å; D2052-V2663 HydrophobicContact CB-CG1 3.71Å; D2052-V2663 HydrophobicContact CB-CG2 4.23Å; D2052-V2663 WeakPolarHBondContact O-CB 2.83Å; D2052-V2663 VanDerWaalsContact O-CG1 3.28Å; D2052-V2663 WeakPolarHBondContact O-CG1 3.49Å; V2661-V2663 HydrophobicContact CB-CG2 4.15Å; V2661-V2663 HydrophobicContact CG1-CG2 4Å; V2661-V2663 HydrophobicContact CG2-CG2 3.61Å
2664	P	28.9	Very low	26.6	Very low	98 Å²	98	121.5 Å²	121.5	64%	0.636	71%	0.71	S	S	*	*			cis	-125.6	165.2	22.8	30.7	-9.5	0	0	0	115.4	D2052 G2053 L2054	D2052-P2664 WeakPolarHBondContact O-CD 3.42Å; G2053-P2664 WeakPolarHBondContact O-CD 3.13Å; L2054-P2664 VanDerWaalsContact CD1-C 3.48Å; L2054-P2664 WeakPolarHBondContact CD1-O 3.2Å
2665	S	25.6	Very low	26.9	Very low	95 Å²	95	125 Å²	125	66%	0.664	72%	0.72	S	S	*	*				54.9	142.2	124.7	75.9	0	0	0	0	116.3
2666	Q	28.3	Very low	26.9	Very low	186 Å²	186	125.1 Å²	125.1	87%	0.869	72%	0.716	S	S	*	*			cis	167.8	164.6	14.7	-101.7	174	-6	0	0	112
2667	S	26.3	Very low	27.2	Very low	89.3333 Å²	89.3333	123.7 Å²	123.7	63%	0.625	71%	0.712	S	S	*	*			trans	-130.8	166.1	149.2	84.2	0	0	0	0	113.2
2668	D	29.6	Very low	27.5	Very low	132.667 Å²	132.667	127.2 Å²	127.2	71%	0.709	71%	0.711	S	S	*	*			cis	-178.6	151.6	44.3	-86.1	-53.7	0	0	0	115.9
2669	N	26.4	Very low	27.7	Very low	120.333 Å²	120.333	125.7 Å²	125.7	64%	0.643	70%	0.702	S	S	*	*			trans	-86.6	157.3	160	-75.8	-59.3	0	0	0	115.1
2670	Y	28.7	Very low	27.9	Very low	227 Å²	227	124.7 Å²	124.7	89%	0.89	69%	0.69	S	S	*	*			trans	169.5	117.3	133.2	-93.6	-74.3	0	0	0	113.4
2671	C	22.6	Very low	28.1	Very low	86.6667 Å²	86.6667	121.3 Å²	121.3	59%	0.586	68%	0.679	S	S	*	*			trans	-80.2	163.1	161	-55.3	0	0	0	0	114.6
2672	I	25.3	Very low	28.3	Very low	142 Å²	142	119.3 Å²	119.3	73%	0.728	67%	0.671	S	S	*	*			trans	90.7	125	149.2	-67.6	161.2	0	0	0	115.8	H2520	H2520-I2672 PolarHBondContact NE2-N 3.22Å
2673	N	29	Very low	28.4	Very low	126.333 Å²	126.333	122 Å²	122	68%	0.676	68%	0.676	S	S	*	*				170.3	137.8	102.3	-98.6	-32.1	0	0	0	115.3
2674	N	26	Very low	28.6	Very low	110.333 Å²	110.333	123.3 Å²	123.3	59%	0.59	68%	0.678	S	S	*	*				43.1	112.7	125.2	-65.5	-33.5	0	0	0	118.9	F2703	N2674-F2703 PolarHBondContact ND2-O 3.3Å
2675	M	33	Very low	28.5	Very low	174 Å²	174	123.4 Å²	123.4	86%	0.857	68%	0.681	S	S	*	*				-143.6	139.2	103.8	-86.5	-68	-97.2	0	0	110.6	S2677	M2675-S2677 PolarHBondContact O-N 3.09Å
2676	N	28.3	Very low	28.8	Very low	130.667 Å²	130.667	124 Å²	124	70%	0.699	69%	0.685	S	S	*	*			trans	-83.1	130.8	-177.2	-105.5	-32.8	0	0	0	115.3
2677	S	32.4	Very low	28.8	Very low	96.3333 Å²	96.3333	120.2 Å²	120.2	67%	0.674	68%	0.68	S	S	*	*			trans	-171.4	123.4	146	66.1	0	0	0	0	114	M2675	M2675-S2677 PolarHBondContact O-N 3.09Å
2678	R	32.3	Very low	28.8	Very low	195.667 Å²	195.667	121.2 Å²	121.2	74%	0.738	69%	0.686	S	S	*	*				44.9	131.6	98.2	-93.8	175.8	179.7	-174.7	0.5	114.6	S2075 F2076 I2680	S2075-R2678 CarbonylContact C-O 3.14Å; S2075-R2678 CarbonylContact O-C 3.06Å; F2076-R2678 PolarHBondContact N-O 3.17Å; R2678-I2680 HydrophobicContact CB-CG1 4.42Å; R2678-I2680 HydrophobicContact CG-CG1 4.47Å
2679	S	28.8	Very low	28.8	Very low	78.6667 Å²	78.6667	119.5 Å²	119.5	55%	0.55	69%	0.685	S	S	*	*			cis	-136.9	150.2	11.1	-16.7	0	0	0	0	113.1	Q2696	S2679-Q2696 PolarHBondContact O-NE2 2.94Å
2680	I	30.4	Very low	29	Very low	108.667 Å²	108.667	121.8 Å²	121.8	56%	0.557	69%	0.691	S	S	*	*	B	Isolated β-bridge	trans	48.1	123.1	155	-62.1	143.2	0	0	0	112.1	S2072 L2073 S2074 S2075 R2678 H2695 Q2696	S2072-I2680 CarbonylContact C-O 3.04Å; L2073-I2680 HydrophobicContact CB-CB 3.92Å; L2073-I2680 HydrophobicContact CB-CG2 3.51Å; L2073-I2680 PolarHBondContact N-O 3.25Å; L2073-I2680 PolarHBondContact O-N 3.3Å; S2074-I2680 WeakPolarHBondContact O-CD1 3.41Å; S2075-I2680 WeakPolarHBondContact O-CD1 3.14Å; R2678-I2680 HydrophobicContact CB-CG1 4.42Å; R2678-I2680 HydrophobicContact CG-CG1 4.47Å; I2680-H2695 HydrophobicContact CD1-CB 3.78Å; I2680-H2695 HydrophobicContact CG1-CB 3.78Å; I2680-H2695 WeakPolarHBondContact CG1-ND1 3.16Å; I2680-Q2696 HydrophobicContact CD1-CB 4.02Å; I2680-Q2696 VanDerWaalsContact CD1-CD 3.47Å; I2680-Q2696 HydrophobicContact CD1-CG 4.01Å; I2680-Q2696 HydrophobicContact CG1-CB 3.69Å; I2680-Q2696 HydrophobicContact CG1-CG 3.76Å
2681	G	31.3	Very low	28.8	Very low	48.6667 Å²	48.6667	119.8 Å²	119.8	50%	0.502	69%	0.688	S	S	.	*			cis	129.8	113.7	-9	0	0	0	0	0	110.1
2682	S	29.1	Very low	29.2	Very low	87 Å²	87	121 Å²	121	61%	0.608	69%	0.694	S	S	*	*				35.5	121.5	73.8	72.2	0	0	0	0	113.9	Q2696 S2697	S2682-Q2696 VanDerWaalsContact OG-CA 3.31Å; S2682-Q2696 WeakPolarHBondContact OG-CA 3.39Å; S2682-S2697 WeakPolarHBondContact OG-CA 3.39Å; S2682-S2697 WeakPolarHBondContact OG-CB 3.42Å; S2682-S2697 PolarHBondContact OG-N 3.42Å
2683	V	28.5	Very low	29.2	Very low	115.667 Å²	115.667	120 Å²	120	70%	0.701	69%	0.694	S	S	*	*				-137.8	138.7	80.4	-178.3	0	0	0	0	109.7
2684	L	29.7	Very low	29.1	Very low	139.333 Å²	139.333	120.5 Å²	120.5	73%	0.729	70%	0.696	S	S	*	*			trans	-49.3	138	151.1	-76.7	133	0	0	0	114.6
2685	S	27.6	Very low	29.1	Very low	101.333 Å²	101.333	121.3 Å²	121.3	71%	0.709	70%	0.696	S	S	*	*			trans	66	156.1	139.5	-56.5	0	0	0	0	120.7
2686	S	30.2	Very low	28.8	Very low	106.667 Å²	106.667	119.6 Å²	119.6	75%	0.746	69%	0.685	S	S	*	*			trans	89.5	134.4	154	22.7	0	0	0	0	114.1
2687	S	28.8	Very low	28.7	Very low	107.667 Å²	107.667	117.9 Å²	117.9	75%	0.753	68%	0.684	S	S	*	*				39.5	138.4	62.7	80.5	0	0	0	0	115.1
2688	S	27.9	Very low	28.5	Very low	108.667 Å²	108.667	119.6 Å²	119.6	76%	0.76	69%	0.691	S	S	*	*			trans	-54.9	139.6	157.1	50.3	0	0	0	0	114.1
2689	S	28.9	Very low	28.3	Very low	97.6667 Å²	97.6667	113.8 Å²	113.8	68%	0.683	69%	0.691	S	S	*	*				-154.7	163.5	119.1	54	0	0	0	0	113.3
2690	H	30.3	Very low	28.3	Very low	168.333 Å²	168.333	118.7 Å²	118.7	78%	0.779	71%	0.71	S	S	*	*			trans	68.2	125.4	162.8	-73.2	61.6	0	0	0	119.8
2691	F	24.3	Very low	28.3	Very low	186 Å²	186	116.6 Å²	116.6	82%	0.816	72%	0.716	S	S	*	*			trans	60.4	155.5	151.4	-73.9	-90	0	0	0	114.9	V2693	F2691-V2693 HydrophobicContact CB-CG2 4.12Å; F2691-V2693 HydrophobicContact CD1-CG2 3.54Å; F2691-V2693 HydrophobicContact CE1-CG2 4.32Å; F2691-V2693 HydrophobicContact CG-CG2 4.07Å
2692	P	31.8	Very low	28.3	Very low	111 Å²	111	118.9 Å²	118.9	72%	0.721	73%	0.725	S	S	*	*			cis	-130.2	173.1	-27.4	37.9	-20.5	0	0	0	116.1
2693	V	25.2	Very low	28.1	Very low	121 Å²	121	123.3 Å²	123.3	73%	0.733	73%	0.733	S	S	*	*			trans	115.8	153.2	167.6	171.5	0	0	0	0	113	F2691	F2691-V2693 HydrophobicContact CB-CG2 4.12Å; F2691-V2693 HydrophobicContact CD1-CG2 3.54Å; F2691-V2693 HydrophobicContact CE1-CG2 4.32Å; F2691-V2693 HydrophobicContact CG-CG2 4.07Å
2694	I	26.1	Very low	28.3	Very low	138 Å²	138	122.4 Å²	122.4	71%	0.708	73%	0.73	S	S	*	*			trans	92	112.6	169.9	-65.2	172.3	0	0	0	113.9
2695	H	26.2	Very low	28.2	Very low	126.333 Å²	126.333	125 Å²	125	59%	0.585	73%	0.731	S	S	*	*				86.1	139.8	119.2	-90.5	-104.6	0	0	0	117.5	S2074 I2680	S2074-H2695 PolarHBondContact O-CE1 3.15Å; I2680-H2695 HydrophobicContact CD1-CB 3.78Å; I2680-H2695 HydrophobicContact CG1-CB 3.78Å; I2680-H2695 WeakPolarHBondContact CG1-ND1 3.16Å
2696	Q	26.4	Very low	28.3	Very low	137.667 Å²	137.667	127.2 Å²	127.2	64%	0.643	73%	0.73	S	S	*	*				170.2	127.4	114.5	-136.3	166.7	6.6	0	0	116.2	S2679 I2680 S2682	S2679-Q2696 PolarHBondContact O-NE2 2.94Å; I2680-Q2696 HydrophobicContact CD1-CB 4.02Å; I2680-Q2696 VanDerWaalsContact CD1-CD 3.47Å; I2680-Q2696 HydrophobicContact CD1-CG 4.01Å; I2680-Q2696 HydrophobicContact CG1-CB 3.69Å; I2680-Q2696 HydrophobicContact CG1-CG 3.76Å; S2682-Q2696 VanDerWaalsContact OG-CA 3.31Å; S2682-Q2696 WeakPolarHBondContact OG-CA 3.39Å
2697	S	27.1	Very low	28.3	Very low	95.6667 Å²	95.6667	125.4 Å²	125.4	67%	0.669	72%	0.718	S	S	*	*			trans	-109.3	116.6	172.4	56.1	0	0	0	0	116.4	S2682	S2682-S2697 WeakPolarHBondContact OG-CA 3.39Å; S2682-S2697 WeakPolarHBondContact OG-CB 3.42Å; S2682-S2697 PolarHBondContact OG-N 3.42Å
2698	T	27.5	Very low	28.1	Very low	132.667 Å²	132.667	126.3 Å²	126.3	81%	0.814	71%	0.714	S	S	*	*			trans	-55	130.7	152.9	50.6	0	0	0	0	113.6
2699	G	28.6	Very low	28.1	Very low	72.3333 Å²	72.3333	129.5 Å²	129.5	75%	0.746	72%	0.715	S	S	*	*			cis	-164.6	156.4	34.7	0	0	0	0	0	116
2700	L	28.9	Very low	27.9	Very low	181.333 Å²	181.333	129.2 Å²	129.2	95%	0.949	71%	0.712	S	S	*	*			trans	-104.3	134.6	138.4	-88.2	162.1	0	0	0	110.4
2701	G	30.9	Very low	27.9	Very low	66.3333 Å²	66.3333	130.2 Å²	130.2	68%	0.684	71%	0.71	S	S	*	*			trans	133.7	175.6	142.1	0	0	0	0	0	114.1
2702	S	30.3	Very low	28.2	Very low	97 Å²	97	127.8 Å²	127.8	68%	0.678	70%	0.702	S	S	*	*			cis	-168.3	153.6	-5.8	11.6	0	0	0	0	112
2703	F	25	Very low	28.2	Very low	178.667 Å²	178.667	129.3 Å²	129.3	78%	0.784	70%	0.699	S	S	*	*			trans	52.2	155	157.7	-67.1	-76.1	0	0	0	115.9	N2674	N2674-F2703 PolarHBondContact ND2-O 3.3Å
2704	P	32	Very low	28.4	Very low	97.6667 Å²	97.6667	130.7 Å²	130.7	63%	0.634	70%	0.697	S	S	*	*			cis	-147.1	176.7	-18	38.7	-19.8	0	0	0	116.2
2705	Y	29	Very low	28.4	Very low	193.667 Å²	193.667	128.2 Å²	128.2	76%	0.759	69%	0.693	S	S	*	*			trans	101.4	144.6	146	-85.7	-74.6	0	0	0	115.4
2706	E	29.6	Very low	28.6	Very low	146.667 Å²	146.667	127.8 Å²	127.8	69%	0.685	70%	0.695	S	S	*	*				-2.8	155.4	69.9	-99.3	167.8	-164.1	0	0	114.3	T2492 S2493	T2492-E2706 CarbonylContact C-O 3.28Å; T2492-E2706 WeakPolarHBondContact CA-O 3.06Å; T2492-E2706 WeakPolarHBondContact CB-O 3.42Å; T2492-E2706 HydrophobicContact CG2-CB 3.93Å; T2492-E2706 WeakPolarHBondContact CG2-O 3.07Å; S2493-E2706 WeakPolarHBondContact CA-O 3.1Å; S2493-E2706 VanDerWaalsContact CB-C 3.49Å; S2493-E2706 WeakPolarHBondContact CB-O 3.42Å; S2493-E2706 PolarHBondContact N-O 2.81Å; S2493-E2706 PolarHBondContact OG-N 2.59Å; S2493-E2706 PolarHBondContact OG-O 3.48Å
2707	S	28.5	Very low	28.7	Very low	70 Å²	70	126.5 Å²	126.5	49%	0.49	69%	0.691	S	S	.	*			cis	175.5	153.4	13.3	56.2	0	0	0	0	117.1	T2492	T2492-S2707 CarbonylContact C-O 2.96Å; T2492-S2707 WeakPolarHBondContact CB-O 3.49Å; T2492-S2707 WeakPolarHBondContact CG2-OG 3.28Å; T2492-S2707 VanDerWaalsContact O-O 3.07Å; T2492-S2707 PolarHBondContact OG1-O 3.26Å; T2492-S2707 PolarHBondContact OG1-OG 2.69Å
2708	D	26.6	Very low	28.6	Very low	126 Å²	126	131.9 Å²	131.9	67%	0.674	70%	0.698	S	S	*	*				71.2	146.8	127.8	-60.9	-43.6	0	0	0	121.1
2709	F	27	Very low	28.6	Very low	176 Å²	176	131.1 Å²	131.1	77%	0.772	69%	0.689	S	S	*	*				89.2	132.1	125.3	-88.5	-80.1	0	0	0	116.2
2710	S	25.5	Very low	28.9	Very low	90 Å²	90	135.3 Å²	135.3	63%	0.629	69%	0.694	S	S	*	*				82.7	142.4	115.2	74.8	0	0	0	0	116.4
2711	Y	28.6	Very low	28.9	Very low	190.333 Å²	190.333	134.1 Å²	134.1	75%	0.746	69%	0.687	S	S	*	*				172	152.2	124	-106.4	-114.8	0	0	0	110.2
2712	Q	30.8	Very low	28.9	Very low	134.667 Å²	134.667	135.6 Å²	135.6	63%	0.629	68%	0.684	S	S	*	*				91.3	143.6	89.3	-101	168.2	-8.1	0	0	115.7
2713	Q	32.6	Very low	28.7	Very low	144 Å²	144	137 Å²	137	67%	0.673	68%	0.683	S	S	*	*			cis	-172.2	156.2	32.2	-112	170.4	-23	0	0	115.3
2714	Q	28.8	Very low	28.7	Very low	148.667 Å²	148.667	138.5 Å²	138.5	70%	0.695	68%	0.683	S	S	*	*			cis	-171.8	140.1	-11.9	-132.1	169.9	-27	0	0	114.9
2715	S	26.9	Very low	28.5	Very low	87.3333 Å²	87.3333	139.1 Å²	139.1	61%	0.611	69%	0.685	S	S	*	*			trans	56.2	145.3	141.8	71.3	0	0	0	0	120.6
2716	N	28.9	Very low	28.4	Very low	117.333 Å²	117.333	134.9 Å²	134.9	63%	0.627	68%	0.683	S	S	*	*				163	138.3	77.8	-104	-16.8	0	0	0	116	R2724 T2725	N2716-R2724 PolarHBondContact ND2-O 3.41Å; N2716-R2724 VanDerWaalsContact ND2-O 3.11Å; N2716-T2725 WeakPolarHBondContact ND2-CB 3.45Å; N2716-T2725 WeakPolarHBondContact ND2-CG2 3.46Å; N2716-T2725 PolarHBondContact ND2-N 3.08Å; N2716-T2725 PolarHBondContact ND2-OG1 3.08Å
2717	I	28.4	Very low	28.6	Very low	110.333 Å²	110.333	133 Å²	133	57%	0.566	68%	0.684	S	S	*	*				113.6	120	110.5	-75.5	156.1	0	0	0	118	D2719 P2722 I2723 R2724	I2717-D2719 HydrophobicContact CG2-CB 3.72Å; I2717-P2722 HydrophobicContact CB-CB 3.49Å; I2717-P2722 VanDerWaalsContact CB-CB 3.49Å; I2717-P2722 HydrophobicContact CD1-CB 3.65Å; I2717-P2722 HydrophobicContact CG1-CB 4.05Å; I2717-P2722 HydrophobicContact CG2-CB 3.42Å; I2717-P2722 VanDerWaalsContact CG2-CB 3.42Å; I2717-I2723 VanDerWaalsContact CD1-C 3.5Å; I2717-I2723 WeakPolarHBondContact CG1-O 3.14Å; I2717-I2723 WeakPolarHBondContact CG2-O 3.49Å; I2717-R2724 VanDerWaalsContact CD1-N 3.34Å
2718	Y	26.3	Very low	28.6	Very low	209 Å²	209	137.6 Å²	137.6	82%	0.82	70%	0.697	S	S	*	*			trans	86	120.8	145.5	-97.2	-101.8	0	0	0	118.8
2719	D	27.4	Very low	28.6	Very low	115.333 Å²	115.333	138.1 Å²	138.1	62%	0.617	70%	0.699	S	S	*	*			trans	101.6	129	149.6	-92.6	-4.8	0	0	0	118.9	I2717 I2721 I2723	I2717-D2719 HydrophobicContact CG2-CB 3.72Å; D2719-I2721 PolarHBondContact O-N 2.94Å; D2719-I2723 WeakPolarHBondContact OD2-CB 3.2Å
2720	L	35.6	Very low	28.8	Very low	161.333 Å²	161.333	136.2 Å²	136.2	85%	0.845	70%	0.697	S	S	*	*			trans	-100	94.4	154.4	-84.8	131	0	0	0	113.4
2721	I	27.1	Very low	29	Very low	156 Å²	156	136.7 Å²	136.7	80%	0.8	70%	0.701	S	S	*	*			trans	24	123.4	162.2	-61.2	169.4	0	0	0	111.3	D2719	D2719-I2721 PolarHBondContact O-N 2.94Å
2722	P	32.4	Very low	29.1	Very low	97.6667 Å²	97.6667	132.5 Å²	132.5	63%	0.634	70%	0.699	S	S	*	*				-127.1	165.6	114.2	35.5	-24.2	0	0	0	116.9	I2717	I2717-P2722 HydrophobicContact CB-CB 3.49Å; I2717-P2722 VanDerWaalsContact CB-CB 3.49Å; I2717-P2722 HydrophobicContact CD1-CB 3.65Å; I2717-P2722 HydrophobicContact CG1-CB 4.05Å; I2717-P2722 HydrophobicContact CG2-CB 3.42Å; I2717-P2722 VanDerWaalsContact CG2-CB 3.42Å
2723	I	24.7	Very low	29.2	Very low	127.333 Å²	127.333	130.7 Å²	130.7	65%	0.653	70%	0.701	S	S	*	*			trans	75.6	124.8	159.6	-61.3	172.4	0	0	0	115.8	I2717 D2719	I2717-I2723 VanDerWaalsContact CD1-C 3.5Å; I2717-I2723 WeakPolarHBondContact CG1-O 3.14Å; I2717-I2723 WeakPolarHBondContact CG2-O 3.49Å; D2719-I2723 WeakPolarHBondContact OD2-CB 3.2Å
2724	R	24.8	Very low	29	Very low	208.667 Å²	208.667	131 Å²	131	79%	0.787	71%	0.706	S	S	*	*			trans	-118.6	140	145	-80.2	168.3	-170.6	-168.3	2.8	112.7	N2716 I2717	N2716-R2724 PolarHBondContact ND2-O 3.41Å; N2716-R2724 VanDerWaalsContact ND2-O 3.11Å; I2717-R2724 VanDerWaalsContact CD1-N 3.34Å
2725	T	28.6	Very low	29.2	Very low	111 Å²	111	129 Å²	129	68%	0.681	71%	0.706	S	S	*	*				-150.1	149.8	100.9	20.4	0	0	0	0	110.5	N2716	N2716-T2725 WeakPolarHBondContact ND2-CB 3.45Å; N2716-T2725 WeakPolarHBondContact ND2-CG2 3.46Å; N2716-T2725 PolarHBondContact ND2-N 3.08Å; N2716-T2725 PolarHBondContact ND2-OG1 3.08Å
2726	C	27.4	Very low	29.2	Very low	105.667 Å²	105.667	130.4 Å²	130.4	71%	0.714	71%	0.711	S	S	*	*			trans	-72.3	163.1	160.3	-56.4	0	0	0	0	111.2	Q2728	C2726-Q2728 HydrophobicContact CB-CG 4.25Å
2727	P	33.8	Very low	29.5	Very low	107.333 Å²	107.333	130.4 Å²	130.4	70%	0.697	72%	0.717	S	S	*	*			cis	-150.3	159.2	15.7	14.1	-3	0	0	0	118.2
2728	Q	28.1	Very low	29.5	Very low	164.667 Å²	164.667	130 Å²	130	77%	0.769	72%	0.722	S	S	*	*				68.7	153.9	116.9	-60.2	-179.2	-6	0	0	117.1	C2726	C2726-Q2728 HydrophobicContact CB-CG 4.25Å
2729	L	26.7	Very low	29.7	Very low	138 Å²	138	125 Å²	125	72%	0.723	72%	0.718	S	S	*	*			trans	93	144.5	172.1	-95.1	164	0	0	0	114.2
2730	N	31.2	Very low	29.8	Very low	136.333 Å²	136.333	129.6 Å²	129.6	73%	0.729	73%	0.726	S	S	*	*			trans	76.4	117.9	156.1	-56.5	-20.2	0	0	0	116.3
2731	S	29	Very low	29.6	Very low	99.3333 Å²	99.3333	128.7 Å²	128.7	70%	0.695	72%	0.721	S	S	*	*			cis	102.3	139.6	38	72.2	0	0	0	0	111.3
2732	S	31.7	Very low	29.9	Very low	101.667 Å²	101.667	125.6 Å²	125.6	71%	0.711	71%	0.709	S	S	*	*				109.7	148.1	90.6	54.4	0	0	0	0	112.9
2733	S	32.5	Very low	29.8	Very low	98 Å²	98	126.6 Å²	126.6	69%	0.685	71%	0.714	S	S	*	*			cis	162.6	141.1	16.4	60.8	0	0	0	0	111.4
2734	I	28.7	Very low	29.9	Very low	149.667 Å²	149.667	125.9 Å²	125.9	77%	0.768	72%	0.715	S	S	*	*				65	123.6	84.1	-62.6	167.7	0	0	0	113.3	T2736	I2734-T2736 WeakPolarHBondContact CG2-OG1 3.34Å
2735	P	33.5	Very low	30	Very low	107 Å²	107	126.4 Å²	126.4	70%	0.695	72%	0.718	S	S	*	*			cis	-137.2	152.4	18.8	30.4	-10.2	0	0	0	116.4
2736	T	25.7	Very low	30	Very low	117.667 Å²	117.667	125.8 Å²	125.8	72%	0.722	72%	0.717	S	S	*	*				41.5	155.4	103	31.3	0	0	0	0	119.7	I2734	I2734-T2736 WeakPolarHBondContact CG2-OG1 3.34Å
2737	P	35.2	Very low	30.3	Very low	116 Å²	116	130.9 Å²	130.9	75%	0.753	72%	0.722	S	S	*	*				-108.6	-116.6	-93.2	28.2	-11.6	0	0	0	110.6
2738	P	29.7	Very low	30.2	Very low	102 Å²	102	130.2 Å²	130.2	66%	0.662	72%	0.715	S	S	*	*			cis	-122.6	-178.6	-20.6	40.1	-25	0	0	0	115.5
2739	S	28.9	Very low	30.2	Very low	104.333 Å²	104.333	130.5 Å²	130.5	73%	0.73	71%	0.714	S	S	*	*			trans	76	142.7	152.3	68.4	0	0	0	0	119.4
2740	R	30.2	Very low	30.6	Very low	212.333 Å²	212.333	133.6 Å²	133.6	80%	0.801	72%	0.716	S	S	*	*			cis	170.8	124.1	43.2	-128	-175.3	179	179.8	0.1	114.8
2741	I	32.2	Very low	30.5	Very low	141.333 Å²	141.333	133.9 Å²	133.9	73%	0.725	72%	0.718	S	S	*	*			trans	74.3	145.5	134.6	-57.2	166.1	0	0	0	113.2	L2777 S2778	I2741-L2777 CarbonylContact C-O 3.2Å; I2741-S2778 PolarHBondContact O-N 3.16Å; I2741-S2778 PolarHBondContact O-OG 3.4Å; I2741-S2778 VanDerWaalsContact O-OG 3.06Å
2742	T	32.4	Very low	30.9	Very low	90.6667 Å²	90.6667	132.8 Å²	132.8	56%	0.556	72%	0.722	S	S	*	*			cis	-147.1	146.2	14	8.2	0	0	0	0	111.7	L2777 S2778	T2742-L2777 PolarHBondContact N-O 3.47Å; T2742-L2777 CarbonylContact O-C 3.6Å; T2742-L2777 VanDerWaalsContact O-CA 3.3Å; T2742-L2777 WeakPolarHBondContact O-CA 3.19Å; T2742-L2777 WeakPolarHBondContact O-CB 2.93Å; T2742-L2777 PolarHBondContact O-N 3.4Å; T2742-S2778 WeakPolarHBondContact CB-OG 3.35Å; T2742-S2778 VanDerWaalsContact N-N 3.19Å; T2742-S2778 PolarHBondContact N-OG 2.73Å; T2742-S2778 PolarHBondContact OG1-OG 3.39Å
2743	T	29.7	Very low	30.6	Very low	120 Å²	120	134.6 Å²	134.6	74%	0.736	72%	0.724	S	S	*	*			trans	20.9	119.8	155.2	53	0	0	0	0	116.7
2744	T	28.5	Very low	30.5	Very low	111.667 Å²	111.667	135.5 Å²	135.5	69%	0.685	73%	0.725	S	S	*	*				-179.5	131	102.1	18.5	0	0	0	0	113.7	S2776	T2744-S2776 WeakPolarHBondContact CA-O 3.03Å; T2744-S2776 WeakPolarHBondContact CA-OG 3.33Å; T2744-S2776 VanDerWaalsContact N-C 3.25Å; T2744-S2776 PolarHBondContact N-O 3.22Å; T2744-S2776 PolarHBondContact N-OG 3.45Å
2745	R	25.9	Very low	30.6	Very low	220.667 Å²	220.667	137.3 Å²	137.3	83%	0.833	73%	0.728	S	S	*	*				44.5	134.6	126	-129.4	178.6	-168.4	-172.5	4.6	113.5	A2775 S2776	R2745-A2775 PolarHBondContact N-O 3.18Å; R2745-S2776 PolarHBondContact N-OG 3.42Å; R2745-S2776 VanDerWaalsContact N-OG 3.09Å; R2745-S2776 PolarHBondContact O-OG 3.36Å
2746	S	29.8	Very low	30.5	Very low	96.6667 Å²	96.6667	141.6 Å²	141.6	68%	0.676	74%	0.736	S	S	*	*			trans	111.4	140	131	57	0	0	0	0	116.8
2747	R	32.1	Very low	30.7	Very low	214.333 Å²	214.333	141.1 Å²	141.1	81%	0.809	74%	0.736	S	S	*	*				177.2	127.3	115.1	-92.1	-178.2	174.9	-179.1	-0.3	110.2	I2771 S2772 P2773	R2747-I2771 HydrophobicContact CB-CG2 4.41Å; R2747-S2772 CarbonylContact C-O 3.37Å; R2747-S2772 CarbonylContact O-C 3.4Å; R2747-S2772 VanDerWaalsContact O-CA 3.26Å; R2747-S2772 WeakPolarHBondContact O-CA 3.49Å; R2747-S2772 VanDerWaalsContact O-CB 3.22Å; R2747-S2772 WeakPolarHBondContact O-CB 3.3Å; R2747-S2772 PolarHBondContact O-N 3.14Å; R2747-S2772 VanDerWaalsContact O-N 3.1Å; R2747-P2773 CarbonylContact C-O 3.25Å
2748	T	31.9	Very low	30.5	Very low	91.6667 Å²	91.6667	142.1 Å²	142.1	56%	0.562	74%	0.735	S	S	*	*				-168.9	145.6	69.9	45	0	0	0	0	112.5	I2771 S2772 P2773	T2748-I2771 PolarHBondContact N-O 2.94Å; T2748-I2771 CarbonylContact O-C 3.52Å; T2748-I2771 PolarHBondContact OG1-O 2.76Å; T2748-S2772 CarbonylContact C-O 3.51Å; T2748-S2772 VanDerWaalsContact CA-O 3.27Å; T2748-S2772 WeakPolarHBondContact CA-O 3.19Å; T2748-S2772 VanDerWaalsContact N-C 3.29Å; T2748-S2772 PolarHBondContact N-O 3.11Å; T2748-S2772 PolarHBondContact O-N 2.8Å; T2748-P2773 PolarHBondContact N-O 3.12Å
2749	K	29.6	Very low	30.5	Very low	170.333 Å²	170.333	145.6 Å²	145.6	74%	0.741	74%	0.74	S	S	*	*			trans	71.3	140.6	161.5	-58.9	177.3	-177.8	-178.3	0	115.9
2750	R	33.9	Very low	30.6	Very low	203.667 Å²	203.667	146.4 Å²	146.4	77%	0.769	74%	0.74	S	S	*	*			cis	-155.8	114.8	41.6	-133.8	167.6	-146.6	160.3	5.3	115.9
2751	D	28.6	Very low	30.7	Very low	142.667 Å²	142.667	142 Å²	142	76%	0.763	74%	0.738	S	S	*	*			trans	-1.7	144.3	135.5	-49.4	-36.5	0	0	0	116.4	N2753	D2751-N2753 PolarHBondContact O-N 3.43Å
2752	G	37.3	Very low	30.5	Very low	76 Å²	76	140.2 Å²	140.2	78%	0.784	74%	0.737	S	S	*	*			trans	-140	83.1	172.6	0	0	0	0	0	115.4
2753	N	25.8	Very low	30.3	Very low	140.333 Å²	140.333	147.1 Å²	147.1	75%	0.75	75%	0.753	S	S	*	*			trans	-100.2	150.2	149.1	-101.4	-27.9	0	0	0	111.3	D2751	D2751-N2753 PolarHBondContact O-N 3.43Å
2754	T	30.2	Very low	30.3	Very low	116.667 Å²	116.667	150.3 Å²	150.3	72%	0.716	76%	0.76	S	S	*	*				146.5	150.5	101.2	33.7	0	0	0	0	116.1
2755	K	30.9	Very low	30.3	Very low	188.333 Å²	188.333	149.6 Å²	149.6	82%	0.819	76%	0.759	S	S	*	*			trans	34.3	116.4	142.2	-70.9	170.7	179.7	173.4	0	120
2756	K	32.4	Very low	30.4	Very low	196.667 Å²	196.667	150 Å²	150	86%	0.855	76%	0.761	S	S	*	*			trans	61	128.4	135.5	-66.2	-173.2	175.4	-174.6	0	120.9
2757	S	29	Very low	30.2	Very low	106 Å²	106	150.3 Å²	150.3	74%	0.741	76%	0.763	S	S	*	*			trans	80.8	138.6	143.6	-93.1	0	0	0	0	118.2
2758	L	31.7	Very low	30	Very low	138.667 Å²	138.667	145.8 Å²	145.8	73%	0.726	76%	0.763	S	S	*	*			cis	-167.3	142.9	32.4	-137.9	68.7	0	0	0	115.7
2759	K	29.1	Very low	29.7	Very low	174.333 Å²	174.333	146.6 Å²	146.6	76%	0.758	77%	0.772	S	S	*	*			trans	29.4	145.4	147.5	-66	172.1	-178.9	179.4	0	119.3
2760	T	32	Very low	29.5	Very low	120.667 Å²	120.667	143.4 Å²	143.4	74%	0.74	77%	0.772	S	S	*	*				168.3	133.6	100.6	19.7	0	0	0	0	115.4
2761	T	30.9	Very low	29.4	Very low	121.333 Å²	121.333	140.4 Å²	140.4	74%	0.744	77%	0.769	S	S	*	*			trans	75.8	123.6	131.1	46.7	0	0	0	0	119.7
2762	S	28.5	Very low	29.2	Very low	103 Å²	103	138.2 Å²	138.2	72%	0.72	77%	0.765	S	S	*	*				82.5	132.1	113.2	64.9	0	0	0	0	117.2
2763	R	29.1	Very low	28.9	Very low	236.333 Å²	236.333	139.8 Å²	139.8	89%	0.892	76%	0.762	S	S	*	*				-151.1	127.6	87.8	-83	-179.9	175.6	-179.5	-2.7	109.5
2764	Q	28.6	Very low	28.9	Very low	185.667 Å²	185.667	139.6 Å²	139.6	87%	0.868	77%	0.765	S	S	*	*				-45.5	139.3	126.3	-67.8	-179.5	-22.8	0	0	111
2765	S	28.4	Very low	28.6	Very low	97 Å²	97	137.7 Å²	137.7	68%	0.678	76%	0.761	S	S	*	*				-169.5	153.8	102.3	64.6	0	0	0	0	113.9
2766	R	28.3	Very low	28.4	Very low	229.667 Å²	229.667	132.8 Å²	132.8	87%	0.867	75%	0.75	S	S	*	*			trans	73.4	131.6	162.9	-59.7	170	-177.6	-148.2	-1.4	116.8
2767	S	26.6	Very low	28.2	Very low	102.333 Å²	102.333	130 Å²	130	72%	0.716	74%	0.744	S	S	*	*			cis	-147.9	137.5	33.1	23	0	0	0	0	114.9
2768	C	26.7	Very low	28.3	Very low	121 Å²	121	129.1 Å²	129.1	82%	0.818	74%	0.738	S	S	*	*			trans	99.5	128	131.2	-74.9	0	0	0	0	115.4
2769	S	25.2	Very low	28	Very low	108 Å²	108	129.1 Å²	129.1	76%	0.755	74%	0.737	S	S	*	*			trans	76	131.4	143.3	62.4	0	0	0	0	117.7
2770	S	26.4	Very low	28.2	Very low	104 Å²	104	126 Å²	126	73%	0.727	74%	0.735	S	S	*	*			trans	155.8	164.1	131.9	52.3	0	0	0	0	113.9
2771	I	31.1	Very low	27.9	Very low	140.667 Å²	140.667	130.8 Å²	130.8	72%	0.721	74%	0.74	S	S	*	*				121.4	126.8	123.8	-61.6	166.5	0	0	0	113.3	R2747 T2748	R2747-I2771 HydrophobicContact CB-CG2 4.41Å; T2748-I2771 PolarHBondContact N-O 2.94Å; T2748-I2771 CarbonylContact O-C 3.52Å; T2748-I2771 PolarHBondContact OG1-O 2.76Å
2772	S	25.3	Very low	27.7	Very low	94.6667 Å²	94.6667	128.5 Å²	128.5	66%	0.662	73%	0.729	S	S	*	*				109.9	160.4	121	-123.9	0	0	0	0	113.6	R2747 T2748	R2747-S2772 CarbonylContact C-O 3.37Å; R2747-S2772 CarbonylContact O-C 3.4Å; R2747-S2772 VanDerWaalsContact O-CA 3.26Å; R2747-S2772 WeakPolarHBondContact O-CA 3.49Å; R2747-S2772 VanDerWaalsContact O-CB 3.22Å; R2747-S2772 WeakPolarHBondContact O-CB 3.3Å; R2747-S2772 PolarHBondContact O-N 3.14Å; R2747-S2772 VanDerWaalsContact O-N 3.1Å; T2748-S2772 CarbonylContact C-O 3.51Å; T2748-S2772 VanDerWaalsContact CA-O 3.27Å; T2748-S2772 WeakPolarHBondContact CA-O 3.19Å; T2748-S2772 VanDerWaalsContact N-C 3.29Å; T2748-S2772 PolarHBondContact N-O 3.11Å; T2748-S2772 PolarHBondContact O-N 2.8Å
2773	P	29.8	Very low	27.7	Very low	110.667 Å²	110.667	131.1 Å²	131.1	72%	0.719	73%	0.729	S	S	*	*			trans	-112.3	175.7	159.6	20.1	-8.2	0	0	0	117.6	R2747 T2748	R2747-P2773 CarbonylContact C-O 3.25Å; T2748-P2773 PolarHBondContact N-O 3.12Å
2774	V	25.9	Very low	27.5	Very low	135.667 Å²	135.667	125.2 Å²	125.2	82%	0.822	72%	0.723	S	S	*	*			trans	-69.2	132.9	164.5	177	0	0	0	0	115.9	S2776	V2774-S2776 PolarHBondContact O-N 3.05Å; V2774-S2776 PolarHBondContact O-OG 2.95Å
2775	A	25.3	Very low	27.4	Very low	76 Å²	76	122.6 Å²	122.6	63%	0.628	72%	0.715	S	S	*	*			trans	-48	143.1	163.5	0	0	0	0	0	115.7	R2745	R2745-A2775 PolarHBondContact N-O 3.18Å
2776	S	27	Very low	27.5	Very low	85.6667 Å²	85.6667	123.2 Å²	123.2	60%	0.599	72%	0.717	S	S	*	*			trans	165.1	169.8	154.7	8.4	0	0	0	0	110	T2744 R2745 V2774	T2744-S2776 WeakPolarHBondContact CA-O 3.03Å; T2744-S2776 WeakPolarHBondContact CA-OG 3.33Å; T2744-S2776 VanDerWaalsContact N-C 3.25Å; T2744-S2776 PolarHBondContact N-O 3.22Å; T2744-S2776 PolarHBondContact N-OG 3.45Å; R2745-S2776 PolarHBondContact N-OG 3.42Å; R2745-S2776 VanDerWaalsContact N-OG 3.09Å; R2745-S2776 PolarHBondContact O-OG 3.36Å; V2774-S2776 PolarHBondContact O-N 3.05Å; V2774-S2776 PolarHBondContact O-OG 2.95Å
2777	L	27	Very low	27.4	Very low	139 Å²	139	119.8 Å²	119.8	73%	0.728	71%	0.713	S	S	*	*			cis	-157.3	161.3	-1.7	-137.5	132.9	0	0	0	106.3	I2741 T2742 I2779	I2741-L2777 CarbonylContact C-O 3.2Å; T2742-L2777 PolarHBondContact N-O 3.47Å; T2742-L2777 CarbonylContact O-C 3.6Å; T2742-L2777 VanDerWaalsContact O-CA 3.3Å; T2742-L2777 WeakPolarHBondContact O-CA 3.19Å; T2742-L2777 WeakPolarHBondContact O-CB 2.93Å; T2742-L2777 PolarHBondContact O-N 3.4Å; L2777-I2779 HydrophobicContact CD2-CD1 3.82Å; L2777-I2779 HydrophobicContact CD2-CG1 4.14Å; L2777-I2779 HydrophobicContact CG-CD1 4.23Å; L2777-I2779 HydrophobicContact CG-CG1 4.04Å
2778	S	31.9	Very low	27.5	Very low	87.3333 Å²	87.3333	123 Å²	123	61%	0.611	71%	0.714	S	S	*	*			trans	-167.7	122.8	149.5	27.3	0	0	0	0	113	I2741 T2742	I2741-S2778 PolarHBondContact O-N 3.16Å; I2741-S2778 PolarHBondContact O-OG 3.4Å; I2741-S2778 VanDerWaalsContact O-OG 3.06Å; T2742-S2778 WeakPolarHBondContact CB-OG 3.35Å; T2742-S2778 VanDerWaalsContact N-N 3.19Å; T2742-S2778 PolarHBondContact N-OG 2.73Å; T2742-S2778 PolarHBondContact OG1-OG 3.39Å
2779	I	24.8	Very low	27.5	Very low	138.333 Å²	138.333	122.2 Å²	122.2	71%	0.709	71%	0.71	S	S	*	*				69.3	130.8	66.9	-48	175.7	0	0	0	112.4	L2777	L2777-I2779 HydrophobicContact CD2-CD1 3.82Å; L2777-I2779 HydrophobicContact CD2-CG1 4.14Å; L2777-I2779 HydrophobicContact CG-CD1 4.23Å; L2777-I2779 HydrophobicContact CG-CG1 4.04Å
2780	P	34.1	Very low	27.6	Very low	110 Å²	110	121.4 Å²	121.4	71%	0.714	70%	0.704	S	S	*	*			trans	-124	166	152.4	34.4	-18.5	0	0	0	113.9
2781	W	25.8	Very low	27.8	Very low	219.667 Å²	219.667	127.6 Å²	127.6	83%	0.832	71%	0.713	S	S	*	*			trans	58.5	156	154.5	-66.5	8.1	0	0	0	115
2782	S	26.3	Very low	27.7	Very low	73.3333 Å²	73.3333	124.6 Å²	124.6	51%	0.513	71%	0.709	S	S	.	*			cis	-157.3	160.7	3.4	25.1	0	0	0	0	113.1	T2513 E2514	T2513-S2782 CarbonylContact O-C 3.13Å; T2513-S2782 VanDerWaalsContact O-C 3.28Å; T2513-S2782 VanDerWaalsContact O-CA 3.22Å; T2513-S2782 WeakPolarHBondContact O-CA 3.42Å; E2514-S2782 VanDerWaalsContact CB-O 3.31Å; E2514-S2782 WeakPolarHBondContact CB-O 3.18Å
2783	E	27.6	Very low	27.8	Very low	158 Å²	158	131 Å²	131	74%	0.738	72%	0.719	S	S	*	*			trans	70.3	139.4	153.7	-71.2	163.4	-177.4	0	0	120.4	T2513 E2514	T2513-E2783 PolarHBondContact O-N 2.66Å; T2513-E2783 VanDerWaalsContact OG1-CA 3.29Å; T2513-E2783 WeakPolarHBondContact OG1-CA 3.14Å; T2513-E2783 PolarHBondContact OG1-N 2.99Å; T2513-E2783 PolarHBondContact OG1-O 2.81Å; E2514-E2783 VanDerWaalsContact CB-O 3.3Å; E2514-E2783 WeakPolarHBondContact CB-O 3.38Å
2784	C	25.6	Very low	27.7	Very low	111.667 Å²	111.667	136.4 Å²	136.4	76%	0.755	73%	0.725	S	S	*	*			cis	-177.7	146.8	-27.8	-112	0	0	0	0	115.3	T2513	T2513-C2784 VanDerWaalsContact OG1-CA 3.26Å; T2513-C2784 WeakPolarHBondContact OG1-CA 3.21Å; T2513-C2784 PolarHBondContact OG1-N 3.03Å
2785	N	26	Very low	27.5	Very low	131 Å²	131	135.9 Å²	135.9	70%	0.701	72%	0.722	S	S	*	*			trans	-88.8	156.2	139.6	-108.9	-57.7	0	0	0	110.3	M2787	N2785-M2787 PolarHBondContact OD1-N 2.86Å
2786	P	31.5	Very low	27.6	Very low	111.333 Å²	111.333	137.4 Å²	137.4	72%	0.723	73%	0.725	S	S	*	*				-149.4	142.7	75.6	38.1	-19.5	0	0	0	118.4	K2788	P2786-K2788 PolarHBondContact O-N 2.87Å
2787	M	26.3	Very low	27.4	Very low	157 Å²	157	143.4 Å²	143.4	77%	0.773	74%	0.736	S	S	*	*			trans	25.6	142.7	137.6	-69.6	-164.9	179	0	0	117.6	N2785	N2785-M2787 PolarHBondContact OD1-N 2.86Å
2788	K	27.4	Very low	27.2	Very low	170 Å²	170	145 Å²	145	74%	0.739	74%	0.74	S	S	*	*			cis	-172.1	137	20.9	-109.3	171.8	-174.2	169.8	0	110.9	P2786	P2786-K2788 PolarHBondContact O-N 2.87Å
2789	S	27.3	Very low	26.8	Very low	104.667 Å²	104.667	146.6 Å²	146.6	73%	0.732	75%	0.745	S	S	*	*			trans	59.2	140.4	145	64.9	0	0	0	0	120.5
2790	S	28.2	Very low	26.7	Very low	91.6667 Å²	91.6667	146 Å²	146	64%	0.641	75%	0.748	S	S	*	*			cis	164.5	140.3	33.4	-14	0	0	0	0	116.9
2791	Y	28.7	Very low	26.3	Very low	233 Å²	233	144.8 Å²	144.8	91%	0.914	74%	0.741	S	S	*	*			trans	64	154.5	153	-68.6	-84.9	0	0	0	119.3
2792	A	30.9	Very low	26.2	Very low	77 Å²	77	140.4 Å²	140.4	64%	0.636	73%	0.732	S	S	*	*			cis	-163.4	155.3	-17.2	0	0	0	0	0	113.5
2793	R	27.2	Very low	26.2	Very low	229.667 Å²	229.667	142.1 Å²	142.1	87%	0.867	74%	0.735	S	S	*	*			trans	38.6	152	162.4	-62.2	171.4	-177.9	175.6	1.8	115
2794	R	27.1	Very low	26.1	Very low	224.667 Å²	224.667	139.8 Å²	139.8	85%	0.848	72%	0.724	S	S	*	*			cis	-156.5	153.1	-1.8	-105.6	-179.3	-179.7	175.4	-1.1	110.8
2795	V	22.6	Very low	26.1	Very low	125.333 Å²	125.333	137.4 Å²	137.4	76%	0.76	71%	0.709	S	S	*	*			trans	-44.3	136.8	157.1	176.6	0	0	0	0	113.2
2796	P	26.3	Very low	26.3	Very low	106.667 Å²	106.667	134.5 Å²	134.5	69%	0.693	70%	0.697	S	S	*	*				-121.5	142.9	91	35.5	-20.7	0	0	0	115.3
2797	Y	22	Very low	26	Very low	212.333 Å²	212.333	135.4 Å²	135.4	83%	0.833	69%	0.687	S	S	*	*				-164.8	152.2	119.2	-96.5	-83.8	0	0	0	116.5
2798	Q	24.1	Very low	26	Very low	172.667 Å²	172.667	133.2 Å²	133.2	81%	0.807	68%	0.678	S	S	*	*			trans	47.9	143	172	-94.3	175.8	-41.9	0	0	118.6
2799	V	22.6	Very low	25.9	Very low	120 Å²	120	131.3 Å²	131.3	73%	0.727	68%	0.675	S	S	*	*			trans	64.4	110.9	158.8	-163	0	0	0	0	116.8
2800	V	22.5	Very low	25.7	Very low	125.333 Å²	125.333	131.2 Å²	131.2	76%	0.76	67%	0.67	S	S	*	*				24.5	131.7	119.4	-158.2	0	0	0	0	114.8
2801	P	26.3	Very low	25.5	Very low	86.5 Å²	86.5	131.5 Å²	131.5	56%	0.562	67%	0.671	S	S	*	*				-132.8	-140	55.8	26.1	-3.8	0	0	0	111.6	Y2532 I2533	Y2532-P2801 VanDerWaalsContact CD1-C 3.43Å; Y2532-P2801 HydrophobicContact CD1-CB 3.85Å; Y2532-P2801 HydrophobicContact CD1-CG 4.26Å; Y2532-P2801 HydrophobicContact CE1-CB 4.11Å; Y2532-P2801 HydrophobicContact CE1-CG 4.36Å; Y2532-P2801 WeakPolarHBondContact CE1-O 3.44Å; Y2532-P2801 VanDerWaalsContact CZ-C 3.47Å; Y2532-P2801 PolarHBondContact OH-O 2.86Å; Y2532-P2801 VanDerWaalsContact OH-O 3.07Å; I2533-P2801 HydrophobicContact CB-CB 3.83Å; I2533-P2801 HydrophobicContact CG2-CB 4.12Å
2802	I	24.6	Very low	25.5	Very low	126 Å²	126	126.8 Å²	126.8	65%	0.646	66%	0.662	S	S	*	*			trans	85	121.3	164.5	-44.6	164	0	0	0	109.1	Y2532 E2804	Y2532-I2802 HydrophobicContact CD1-CB 2.32Å; Y2532-I2802 HydrophobicContact CD1-CD1 4.11Å; Y2532-I2802 HydrophobicContact CD1-CG1 2.6Å; Y2532-I2802 HydrophobicContact CD1-CG2 3.73Å; Y2532-I2802 HydrophobicContact CD2-CB 2.32Å; Y2532-I2802 HydrophobicContact CD2-CG1 3.68Å; Y2532-I2802 HydrophobicContact CD2-CG2 2.6Å; Y2532-I2802 HydrophobicContact CE1-CB 2.3Å; Y2532-I2802 HydrophobicContact CE1-CD1 4.17Å; Y2532-I2802 HydrophobicContact CE1-CG1 2.93Å; Y2532-I2802 HydrophobicContact CE1-CG2 3.9Å; Y2532-I2802 HydrophobicContact CE2-CB 2.3Å; Y2532-I2802 HydrophobicContact CE2-CG1 3.93Å; Y2532-I2802 HydrophobicContact CE2-CG2 2.83Å; Y2532-I2802 VanDerWaalsContact CE2-O 3.32Å; Y2532-I2802 WeakPolarHBondContact CE2-O 3.39Å; Y2532-I2802 HydrophobicContact CG-CB 2.31Å; Y2532-I2802 HydrophobicContact CG-CD1 4.48Å; Y2532-I2802 HydrophobicContact CG-CG1 3Å; Y2532-I2802 HydrophobicContact CG-CG2 3.09Å; Y2532-I2802 VanDerWaalsContact CG-N 3.33Å; Y2532-I2802 VanDerWaalsContact CZ-O 3.26Å; Y2532-I2802 WeakPolarHBondContact OH-CA 3.3Å; Y2532-I2802 PolarHBondContact OH-O 2.93Å; I2802-E2804 WeakPolarHBondContact CG2-OE1 3.13Å
2803	N	25.4	Very low	25.3	Very low	109.5 Å²	109.5	129.7 Å²	129.7	59%	0.586	66%	0.662	S	S	*	*			trans	128.2	-166.7	-160	-122.3	34	0	0	0	118.5	D2531 Y2532 I2533	D2531-N2803 PolarHBondContact O-ND2 2.81Å; Y2532-N2803 VanDerWaalsContact C-CB 3.44Å; Y2532-N2803 VanDerWaalsContact CA-CB 3.43Å; Y2532-N2803 HydrophobicContact CD2-CB 3.62Å; Y2532-N2803 HydrophobicContact CG-CB 4.18Å; Y2532-N2803 PolarHBondContact O-ND2 3.21Å; I2533-N2803 HydrophobicContact CG1-CB 3.64Å
2804	E	26.2	Very low	25.2	Very low	109.5 Å²	109.5	127 Å²	127	51%	0.512	65%	0.653	S	S	.	*				129.3	113	68.8	-120.5	164.8	-160.9	0	0	117	H2530 Y2532 I2802	H2530-E2804 IonicContact CE1-OE1 3.61Å; H2530-E2804 IonicContact CE1-OE2 3.11Å; H2530-E2804 IonicContact CG-OE1 2.65Å; H2530-E2804 IonicContact ND1-OE1 2.87Å; H2530-E2804 PolarHBondContact ND1-OE1 3.18Å; H2530-E2804 IonicContact ND1-OE2 3.51Å; H2530-E2804 PolarHBondContact ND1-OE2 3.13Å; Y2532-E2804 HydrophobicContact CD2-CB 4.33Å; Y2532-E2804 HydrophobicContact CD2-CG 4.49Å; I2802-E2804 WeakPolarHBondContact CG2-OE1 3.13Å
2805	S	25.1	Very low	25.1	Very low	61 Å²	61	119.8 Å²	119.8	43%	0.427	63%	0.632	S	S	.	*			trans	34	155.7	139.3	69.1	0	0	0	0	118.9	R2529 H2530	R2529-S2805 WeakPolarHBondContact CG-OG 3.42Å; H2530-S2805 VanDerWaalsContact C-CB 3.43Å; H2530-S2805 VanDerWaalsContact O-CB 3.27Å; H2530-S2805 WeakPolarHBondContact O-CB 2.91Å
2806	P	30.4	Very low	25.5	Very low	70.5 Å²	70.5	118.2 Å²	118.2	46%	0.458	63%	0.626	S	S	.	*			cis	-142.2	-172	31.4	41.9	-28.2	0	0	0	112.6	Y2638	Y2638-P2806 WeakPolarHBondContact CD2-O 2.96Å
2807	Y	24.4	Very low	25.5	Very low	130.5 Å²	130.5	117.1 Å²	117.1	51%	0.512	62%	0.621	S	S	.	*				89.3	73	98.3	-98.8	-88.6	0	0	0	114.3	N2526 N2527 N2528 R2529	N2526-Y2807 CarbonylContact C-O 2.97Å; N2526-Y2807 VanDerWaalsContact C-O 3.28Å; N2527-Y2807 HydrophobicContact CB-CD1 4.44Å; N2527-Y2807 HydrophobicContact CB-CE1 4.37Å; N2527-Y2807 PolarHBondContact N-O 3.31Å; N2527-Y2807 CarbonylContact O-C 3.06Å; N2527-Y2807 WeakPolarHBondContact O-CA 2.82Å; N2527-Y2807 WeakPolarHBondContact O-CD1 3.38Å; N2527-Y2807 VanDerWaalsContact O-O 3.12Å; N2528-Y2807 WeakPolarHBondContact CA-OH 3.2Å; N2528-Y2807 HydrophobicContact CB-CD1 2.3Å; N2528-Y2807 HydrophobicContact CB-CD2 2.29Å; N2528-Y2807 HydrophobicContact CB-CE1 2.29Å; N2528-Y2807 HydrophobicContact CB-CE2 2.29Å; N2528-Y2807 HydrophobicContact CB-CG 2.32Å; N2528-Y2807 WeakPolarHBondContact CB-OH 3.01Å; N2528-Y2807 WeakPolarHBondContact ND2-CD1 3.04Å; N2528-Y2807 VanDerWaalsContact ND2-CE1 3.35Å; N2528-Y2807 WeakPolarHBondContact ND2-CE1 3.3Å; N2528-Y2807 WeakPolarHBondContact O-CE2 3.16Å; N2528-Y2807 PolarHBondContact O-OH 3.43Å; N2528-Y2807 WeakPolarHBondContact OD1-CB 3.26Å; N2528-Y2807 WeakPolarHBondContact OD1-CD1 3.27Å; R2529-Y2807 HydrophobicContact CB-CD2 4.35Å; R2529-Y2807 HydrophobicContact CB-CE2 3.88Å; R2529-Y2807 HydrophobicContact CG-CD2 4.08Å; R2529-Y2807 HydrophobicContact CG-CE2 3.62Å
2808	N	26.9	Very low	25.7	Very low	110.5 Å²	110.5	111.8 Å²	111.8	59%	0.591	61%	0.607	S	S	*	*				173.8	164.2	104.3	-123.2	3.5	0	0	0	116.1	N2526 N2527	N2526-N2808 VanDerWaalsContact C-CB 3.48Å; N2526-N2808 WeakPolarHBondContact O-CB 3.28Å; N2526-N2808 PolarHBondContact O-ND2 2.91Å; N2527-N2808 HydrophobicContact CB-CB 4.37Å; N2527-N2808 WeakPolarHBondContact CB-ND2 3.45Å; N2527-N2808 WeakPolarHBondContact O-CA 3.48Å; N2527-N2808 WeakPolarHBondContact O-CB 3.18Å; N2527-N2808 VanDerWaalsContact O-CG 3.3Å; N2527-N2808 PolarHBondContact O-N 3.46Å; N2527-N2808 VanDerWaalsContact O-N 3.16Å; N2527-N2808 PolarHBondContact O-OD1 2.76Å
2809	I	24.9	Very low	25.9	Very low	129.5 Å²	129.5	109.8 Å²	109.8	66%	0.664	60%	0.601	S	S	*	*				59.5	120.4	115.8	-46.3	-175.5	0	0	0	115.2	C2811	I2809-C2811 HydrophobicContact CG2-CB 4.43Å; I2809-C2811 VanDerWaalsContact CG2-SG 3.59Å
2810	T	23.6	Very low	26	Very low	103 Å²	103	110.5 Å²	110.5	63%	0.632	60%	0.595	S	S	*	*				-138.8	139.9	115.5	52.2	0	0	0	0	112	R2471	R2471-T2810 PolarHBondContact NE-OG1 2.85Å; R2471-T2810 VanDerWaalsContact NH2-CG2 3.34Å; R2471-T2810 PolarHBondContact NH2-OG1 2.96Å
2811	C	24.2	Very low	26.2	Very low	98 Å²	98	111.3 Å²	111.3	66%	0.662	59%	0.594	S	S	*	*				134.4	109.3	109.7	-69.1	0	0	0	0	109.5	I2809 Q2813	I2809-C2811 HydrophobicContact CG2-CB 4.43Å; I2809-C2811 VanDerWaalsContact CG2-SG 3.59Å; C2811-Q2813 WeakPolarHBondContact O-CG 3.26Å; C2811-Q2813 PolarHBondContact O-NE2 3.06Å
2812	D	28.7	Very low	26.3	Very low	135 Å²	135	110.5 Å²	110.5	72%	0.722	59%	0.591	S	S	*	*				-132.5	140.5	59.7	-93.7	-16.7	0	0	0	106.6
2813	Q	27.2	Very low	26.3	Very low	137.5 Å²	137.5	110.3 Å²	110.3	64%	0.643	60%	0.596	S	S	*	*				112.6	139.8	-97.7	-71.9	164.9	32.6	0	0	109.8	C2811	C2811-Q2813 WeakPolarHBondContact O-CG 3.26Å; C2811-Q2813 PolarHBondContact O-NE2 3.06Å
2814	Y	23.3	Very low	26.4	Very low	173 Å²	173	107.2 Å²	107.2	68%	0.678	59%	0.589	S	S	*	*			cis	-142.8	148.1	-2.3	-100	-69.8	0	0	0	109.2	V2469	V2469-Y2814 WeakPolarHBondContact CG1-O 3.34Å
2815	N	25.9	Very low	26.5	Very low	74 Å²	74	109.3 Å²	109.3	40%	0.396	60%	0.597	S	S	.	*				55.6	141.1	80.2	-110.6	-2.9	0	0	0	118.4	T2470 R2471 N2472 S2817	T2470-N2815 VanDerWaalsContact O-CA 3.31Å; T2470-N2815 WeakPolarHBondContact O-CA 3.47Å; T2470-N2815 PolarHBondContact O-N 2.93Å; R2471-N2815 VanDerWaalsContact C-CG 3.46Å; R2471-N2815 WeakPolarHBondContact O-CB 3.35Å; R2471-N2815 PolarHBondContact O-ND2 2.75Å; R2471-N2815 PolarHBondContact O-OD1 3.34Å; N2472-N2815 PolarHBondContact N-OD1 2.92Å; N2472-N2815 PolarHBondContact O-ND2 2.9Å; N2472-N2815 PolarHBondContact O-OD1 2.74Å; N2815-S2817 PolarHBondContact OD1-OG 3.17Å
2816	S	31.7	Very low	26.7	Very low	91.5 Å²	91.5	111 Å²	111	64%	0.64	61%	0.607	S	S	*	*				148.3	129.1	99.8	8.3	0	0	0	0	116.1
2817	S	26.7	Very low	26.7	Very low	82.5 Å²	82.5	112.5 Å²	112.5	58%	0.577	62%	0.619	S	S	*	*			cis	128	86.2	15.3	-3.4	0	0	0	0	112.3	L2558 N2815	L2558-S2817 WeakPolarHBondContact CD1-O 3.32Å; L2558-S2817 WeakPolarHBondContact CG-O 3.03Å; N2815-S2817 PolarHBondContact OD1-OG 3.17Å
2818	D	24.8	Very low	26.6	Very low	102.5 Å²	102.5	111.3 Å²	111.3	55%	0.548	62%	0.62	S	S	.	*			trans	120.4	158.7	144.6	-87.9	-27.3	0	0	0	118.8
2819	L	28.7	Very low	27	Very low	130.5 Å²	130.5	108.7 Å²	108.7	68%	0.683	61%	0.609	S	S	*	*			trans	72.1	105.8	173.4	-79.6	65.7	0	0	0	119	C2559	C2559-L2819 VanDerWaalsContact CB-N 3.34Å; C2559-L2819 PolarHBondContact SG-N 3.47Å
2820	F	25.6	Very low	26.8	Very low	135 Å²	135	106.6 Å²	106.6	59%	0.592	60%	0.604	S	S	*	*				64.1	118.4	88.8	-84	-81.7	0	0	0	118.8	C2559 D2560 T2561 S2822	C2559-F2820 HydrophobicContact CB-CD2 3.91Å; C2559-F2820 HydrophobicContact CB-CE2 4.37Å; C2559-F2820 HydrophobicContact CB-CG 4.42Å; C2559-F2820 WeakPolarHBondContact SG-CD2 3.04Å; D2560-F2820 HydrophobicContact CB-CD1 3.75Å; D2560-F2820 HydrophobicContact CB-CD2 3.88Å; D2560-F2820 HydrophobicContact CB-CE1 3.45Å; D2560-F2820 VanDerWaalsContact CB-CE1 3.45Å; D2560-F2820 HydrophobicContact CB-CE2 3.57Å; D2560-F2820 HydrophobicContact CB-CG 3.95Å; D2560-F2820 HydrophobicContact CB-CZ 3.34Å; D2560-F2820 WeakPolarHBondContact O-CA 3.07Å; D2560-F2820 PolarHBondContact O-N 3.37Å; D2560-F2820 WeakPolarHBondContact OD2-CE2 3.03Å; D2560-F2820 WeakPolarHBondContact OD2-CZ 2.96Å; T2561-F2820 HydrophobicContact CG2-CD1 3.81Å; T2561-F2820 HydrophobicContact CG2-CE1 4.03Å; T2561-F2820 WeakPolarHBondContact OG1-CA 3.14Å; T2561-F2820 WeakPolarHBondContact OG1-CD1 3.24Å; F2820-S2822 PolarHBondContact O-N 2.84Å
2821	N	26	Very low	26.8	Very low	140.5 Å²	140.5	109.7 Å²	109.7	75%	0.751	61%	0.611	S	S	*	*				102.9	97.2	120.4	-73.4	-32.3	0	0	0	113.7	T2561	T2561-N2821 WeakPolarHBondContact OG1-CA 3.32Å; T2561-N2821 PolarHBondContact OG1-N 3.38Å
2822	S	28	Very low	26.8	Very low	70 Å²	70	109 Å²	109	49%	0.49	61%	0.608	S	S	.	*				144.9	111.5	125.4	146.2	0	0	0	0	111.8	S2481 T2561 F2820 G2824	S2481-S2822 WeakPolarHBondContact CB-OG 2.98Å; S2481-S2822 PolarHBondContact OG-OG 3.2Å; T2561-S2822 PolarHBondContact OG1-N 2.97Å; F2820-S2822 PolarHBondContact O-N 2.84Å; S2822-G2824 PolarHBondContact O-N 3.03Å
2823	T	24.8	Very low	26.5	Very low	123 Å²	123	108 Å²	108	76%	0.755	60%	0.602	S	S	*	*				-115.1	127.5	-88.5	46.1	0	0	0	0	111	D2563	D2563-T2823 HydrophobicContact CB-CG2 3.59Å
2824	G	26.9	Very low	26.5	Very low	43 Å²	43	105.1 Å²	105.1	44%	0.443	59%	0.593	S	S	.	*			trans	-179.7	117.4	170.8	0	0	0	0	0	115.9	S2822 I2828 T2829	S2822-G2824 PolarHBondContact O-N 3.03Å; G2824-I2828 VanDerWaalsContact O-CB 3.29Å; G2824-I2828 WeakPolarHBondContact O-CB 3.37Å; G2824-I2828 VanDerWaalsContact O-CG2 3.28Å; G2824-I2828 WeakPolarHBondContact O-CG2 3.4Å; G2824-T2829 WeakPolarHBondContact O-CG2 3.29Å; G2824-T2829 PolarHBondContact O-N 3.01Å
2825	F	29.1	Very low	26.8	Very low	153.5 Å²	153.5	102.6 Å²	102.6	67%	0.673	60%	0.598	S	S	*	*			trans	-81.3	146.8	172.6	-84.4	-104.3	0	0	0	111.1	I2828 T2829	F2825-I2828 VanDerWaalsContact O-CD1 3.29Å; F2825-I2828 WeakPolarHBondContact O-CD1 3.26Å; F2825-I2828 PolarHBondContact O-N 3.02Å; F2825-T2829 WeakPolarHBondContact CA-OG1 3.14Å; F2825-T2829 WeakPolarHBondContact CD1-OG1 3.32Å; F2825-T2829 HydrophobicContact CD2-CG2 3.33Å; F2825-T2829 WeakPolarHBondContact CD2-OG1 3.33Å; F2825-T2829 HydrophobicContact CE2-CG2 3.57Å; F2825-T2829 HydrophobicContact CG-CG2 3.96Å; F2825-T2829 WeakPolarHBondContact CG-OG1 3.18Å; F2825-T2829 HydrophobicContact CZ-CG2 4.36Å
2826	P	28.1	Very low	26.8	Very low	97 Å²	97	101.5 Å²	101.5	63%	0.63	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	cis	-135.2	169.8	22.7	34.1	-16.1	0	0	0	111.6	T2829	P2826-T2829 WeakPolarHBondContact CA-OG1 3.31Å
2827	S	31.7	Very low	26.6	Very low	103 Å²	103	105.7 Å²	105.7	72%	0.72	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	38.4	81.9	-168.5	50.1	0	0	0	0	112.9	T2829	S2827-T2829 PolarHBondContact N-O 3.48Å
2828	I	22	Very low	26.5	Very low	104.5 Å²	104.5	106.6 Å²	106.6	54%	0.536	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	cis	-15.6	-163.5	45.8	-56.6	135.6	0	0	0	115.1	G2824 F2825 C2830	G2824-I2828 VanDerWaalsContact O-CB 3.29Å; G2824-I2828 WeakPolarHBondContact O-CB 3.37Å; G2824-I2828 VanDerWaalsContact O-CG2 3.28Å; G2824-I2828 WeakPolarHBondContact O-CG2 3.4Å; F2825-I2828 VanDerWaalsContact O-CD1 3.29Å; F2825-I2828 WeakPolarHBondContact O-CD1 3.26Å; F2825-I2828 PolarHBondContact O-N 3.02Å; I2828-C2830 VanDerWaalsContact C-SG 3.58Å; I2828-C2830 PolarHBondContact O-N 3.38Å; I2828-C2830 PolarHBondContact O-SG 2.85Å
2829	T	34.4	Very low	26.6	Very low	56.5 Å²	56.5	108.1 Å²	108.1	35%	0.347	62%	0.624	S	S	.	*			trans	16.6	118.1	-178.8	42.5	0	0	0	0	116.4	G2582 S2583 G2824 F2825 P2826 S2827	G2582-T2829 WeakPolarHBondContact CA-OG1 3.02Å; S2583-T2829 PolarHBondContact N-OG1 3.42Å; S2583-T2829 WeakPolarHBondContact O-CG2 3.4Å; G2824-T2829 WeakPolarHBondContact O-CG2 3.29Å; G2824-T2829 PolarHBondContact O-N 3.01Å; F2825-T2829 WeakPolarHBondContact CA-OG1 3.14Å; F2825-T2829 WeakPolarHBondContact CD1-OG1 3.32Å; F2825-T2829 HydrophobicContact CD2-CG2 3.33Å; F2825-T2829 WeakPolarHBondContact CD2-OG1 3.33Å; F2825-T2829 HydrophobicContact CE2-CG2 3.57Å; F2825-T2829 HydrophobicContact CG-CG2 3.96Å; F2825-T2829 WeakPolarHBondContact CG-OG1 3.18Å; F2825-T2829 HydrophobicContact CZ-CG2 4.36Å; P2826-T2829 WeakPolarHBondContact CA-OG1 3.31Å; S2827-T2829 PolarHBondContact N-O 3.48Å
2830	C	21.6	Very low	26.3	Very low	84.5 Å²	84.5	109.3 Å²	109.3	57%	0.571	63%	0.625	S	S	*	*				71.5	137.7	80	-55.4	0	0	0	0	116.3	I2828	I2828-C2830 VanDerWaalsContact C-SG 3.58Å; I2828-C2830 PolarHBondContact O-N 3.38Å; I2828-C2830 PolarHBondContact O-SG 2.85Å
2831	H	23.3	Very low	26.4	Very low	168 Å²	168	108.5 Å²	108.5	78%	0.778	63%	0.632	S	S	*	*				140.2	160	87.5	-77.9	-40.6	0	0	0	113.1
2832	S	24.7	Very low	26.3	Very low	84 Å²	84	106.3 Å²	106.3	59%	0.587	63%	0.627	S	S	*	*				-46.8	147.7	58.9	91.3	0	0	0	0	114.1
2833	L	23.2	Very low	26.3	Very low	115 Å²	115	111.7 Å²	111.7	60%	0.602	65%	0.645	S	S	*	*			cis	121.2	140.4	35.1	-106	161.9	0	0	0	110.9	T2869 T2870	L2833-T2869 WeakPolarHBondContact CA-OG1 3.38Å; L2833-T2869 HydrophobicContact CD2-CG2 4.18Å; L2833-T2869 HydrophobicContact CG-CG2 4.12Å; L2833-T2870 HydrophobicContact CD2-CG2 3.49Å; L2833-T2870 VanDerWaalsContact CD2-CG2 3.49Å
2834	T	25.6	Very low	26.3	Very low	75 Å²	75	112.4 Å²	112.4	46%	0.46	64%	0.644	S	S	.	*			trans	20.4	164.5	160.8	51.7	0	0	0	0	119.4	P2868 T2869 T2870	T2834-P2868 WeakPolarHBondContact CG2-O 3.47Å; T2834-T2869 WeakPolarHBondContact CG2-O 3.49Å; T2834-T2869 WeakPolarHBondContact CG2-OG1 3.43Å; T2834-T2869 PolarHBondContact N-OG1 3.2Å; T2834-T2870 WeakPolarHBondContact CG2-OG1 3.47Å; T2834-T2870 PolarHBondContact OG1-OG1 3.45Å
2835	P	30.9	Very low	26.2	Very low	120.5 Å²	120.5	116.5 Å²	116.5	78%	0.782	66%	0.656	S	S	*	*			cis	-112.9	156	40	29.6	-17	0	0	0	109.7
2836	G	25.5	Very low	26	Very low	50.5 Å²	50.5	115.7 Å²	115.7	52%	0.521	66%	0.659	S	S	.	*			cis	88.2	137.1	13.9	0	0	0	0	0	112.5
2837	Q	27.5	Very low	25.9	Very low	181.5 Å²	181.5	118.6 Å²	118.6	85%	0.848	67%	0.668	S	S	*	*			trans	132.7	105.8	163.1	-86.6	176.9	9.7	0	0	112.3
2838	I	24.5	Very low	25.5	Very low	100 Å²	100	118.3 Å²	118.3	51%	0.513	67%	0.666	S	S	.	*				65.4	97	85	-53.9	169.9	0	0	0	114.2	H2840	I2838-H2840 HydrophobicContact CG2-CB 3.95Å; I2838-H2840 PolarHBondContact O-N 3.27Å
2839	V	26.7	Very low	25.6	Very low	135 Å²	135	120.4 Å²	120.4	82%	0.818	68%	0.678	S	S	*	*			trans	-120.5	102.6	139.1	177	0	0	0	0	106	T2841	V2839-T2841 HydrophobicContact CG1-CG2 4.33Å
2840	H	23.1	Very low	25	Very low	155 Å²	155	122.8 Å²	122.8	72%	0.718	70%	0.698	S	S	*	*				166.3	94.7	89.8	-118.5	-64	0	0	0	112.1	I2838	I2838-H2840 HydrophobicContact CG2-CB 3.95Å; I2838-H2840 PolarHBondContact O-N 3.27Å
2841	T	26.2	Very low	25.1	Very low	117.5 Å²	117.5	128.8 Å²	128.8	72%	0.721	71%	0.709	S	S	*	*			trans	-117.4	136.5	159.5	38.3	0	0	0	0	109.6	V2839	V2839-T2841 HydrophobicContact CG1-CG2 4.33Å
2842	S	24.1	Very low	25.1	Very low	94.5 Å²	94.5	127.4 Å²	127.4	66%	0.661	71%	0.707	S	S	*	*				86.4	120.6	-79.5	78.1	0	0	0	0	114
2843	Q	28.2	Very low	25.1	Very low	184.5 Å²	184.5	127.9 Å²	127.9	86%	0.862	71%	0.71	S	S	*	*				-160.1	138.5	91.6	-85.9	174.2	32.1	0	0	109.7
2844	N	24.3	Very low	25.1	Very low	137 Å²	137	133 Å²	133	73%	0.733	72%	0.721	S	S	*	*			cis	130.2	151.7	33.1	-112.5	-4.2	0	0	0	114.1
2845	N	25.5	Very low	25.2	Very low	130.5 Å²	130.5	132.8 Å²	132.8	70%	0.698	73%	0.727	S	S	*	*			trans	76.3	129.9	163.4	-53.4	-28.4	0	0	0	119.3
2846	N	24.6	Very low	24.9	Very low	136.5 Å²	136.5	130.9 Å²	130.9	73%	0.73	72%	0.716	S	S	*	*				134.6	140.4	58.5	-90	-16.6	0	0	0	117.1
2847	L	26.5	Very low	24.9	Very low	156.5 Å²	156.5	135.4 Å²	135.4	82%	0.819	73%	0.728	S	S	*	*			trans	71	126.5	144	-63.7	167.9	0	0	0	120.1
2848	S	23.2	Very low	25	Very low	97 Å²	97	131 Å²	131	68%	0.678	72%	0.723	S	S	*	*			trans	31.1	131.2	146.1	47.7	0	0	0	0	118.1
2849	D	24.9	Very low	25.1	Very low	149.5 Å²	149.5	135.4 Å²	135.4	80%	0.799	74%	0.744	S	S	*	*				-46.5	120	98.3	-64.6	-31	0	0	0	119.3
2850	S	21.3	Very low	25.1	Very low	107 Å²	107	131.9 Å²	131.9	75%	0.748	74%	0.736	S	S	*	*				-141.1	137.7	124.1	51.4	0	0	0	0	111.8
2851	Y	22.8	Very low	25	Very low	209.5 Å²	209.5	131.3 Å²	131.3	82%	0.822	74%	0.743	S	S	*	*			trans	-69	122.9	158.5	-83.9	-68.3	0	0	0	116.3	C2853	Y2851-C2853 VanDerWaalsContact C-N 3.28Å; Y2851-C2853 PolarHBondContact O-N 3.47Å
2852	L	24.2	Very low	25.1	Very low	138.5 Å²	138.5	131.1 Å²	131.1	73%	0.725	75%	0.745	S	S	*	*				-119.5	131.2	87.5	-148.2	152.4	0	0	0	108.7	R2854	L2852-R2854 PolarHBondContact O-N 2.99Å; L2852-R2854 VanDerWaalsContact O-N 3.12Å
2853	C	23.3	Very low	25.1	Very low	95 Å²	95	134.9 Å²	134.9	64%	0.642	75%	0.753	S	S	*	*			trans	-120.8	122.2	-130.7	-156	0	0	0	0	111.1	Y2851	Y2851-C2853 VanDerWaalsContact C-N 3.28Å; Y2851-C2853 PolarHBondContact O-N 3.47Å
2854	R	24.8	Very low	24.9	Very low	221 Å²	221	131.3 Å²	131.3	83%	0.834	75%	0.748	S	S	*	*			trans	72.7	143.1	163.9	-72	178.1	165.7	-178	-5.5	120.1	L2852	L2852-R2854 PolarHBondContact O-N 2.99Å; L2852-R2854 VanDerWaalsContact O-N 3.12Å
2855	A	26.9	Very low	24.9	Very low	72.5 Å²	72.5	132.4 Å²	132.4	60%	0.599	75%	0.753	S	S	*	*			cis	127.4	113.2	43.9	0	0	0	0	0	115
2856	S	24.5	Very low	24.9	Very low	79.5 Å²	79.5	134 Å²	134	56%	0.556	76%	0.756	S	S	*	*				22.6	140.9	129.6	51.5	0	0	0	0	118.3
2857	N	25.2	Very low	24.9	Very low	144.5 Å²	144.5	134.4 Å²	134.4	77%	0.773	76%	0.757	S	S	*	*				-94.6	-176.4	-94.9	-80.3	-23.5	0	0	0	110.2
2858	A	30.6	Very low	24.9	Very low	90 Å²	90	131.2 Å²	131.2	74%	0.744	75%	0.745	S	S	*	*				-117.4	154.8	-90.6	0	0	0	0	0	112.4	G2860	A2858-G2860 PolarHBondContact O-N 2.8Å
2859	M	27.1	Very low	24.9	Very low	192 Å²	192	129.5 Å²	129.5	95%	0.946	73%	0.731	S	S	*	*			trans	-107.1	149.6	159	-101.5	174.3	1.8	0	0	109.5
2860	G	25.4	Very low	24.9	Very low	62.5 Å²	62.5	124.5 Å²	124.5	64%	0.644	71%	0.706	S	S	*	*			trans	-137.5	132	-172.8	0	0	0	0	0	115.3	A2858 C2862	A2858-G2860 PolarHBondContact O-N 2.8Å; G2860-C2862 PolarHBondContact O-N 3.24Å
2861	T	21.9	Very low	25	Very low	142.5 Å²	142.5	123.6 Å²	123.6	87%	0.874	70%	0.7	S	S	*	*			trans	-7.4	97.4	171	52.6	0	0	0	0	115.6
2862	C	27.9	Very low	25	Very low	113 Å²	113	122.8 Å²	122.8	76%	0.764	70%	0.697	S	S	*	*			trans	-142.4	123	146.3	-83.1	0	0	0	0	104.9	G2860	G2860-C2862 PolarHBondContact O-N 3.24Å
2863	E	23.9	Very low	24.9	Very low	174.5 Å²	174.5	120 Å²	120	82%	0.815	69%	0.688	S	S	*	*				67.6	131.4	52.5	-118.2	-177.7	179.1	0	0	113.5
2864	S	23.6	Very low	24.8	Very low	108 Å²	108	125.3 Å²	125.3	76%	0.755	70%	0.696	S	S	*	*			trans	62.7	111.7	174.6	-56.7	0	0	0	0	116.4
2865	L	25.3	Very low	24.8	Very low	160.5 Å²	160.5	120.4 Å²	120.4	84%	0.84	69%	0.686	S	S	*	*				130.6	139.4	88.7	-125.3	76.9	0	0	0	112.8
2866	H	26	Very low	24.6	Very low	164.5 Å²	164.5	123 Å²	123	76%	0.762	69%	0.694	S	S	*	*			trans	2.5	117.9	-176.8	-72.1	-84.3	0	0	0	115.7
2867	L	23.7	Very low	24.8	Very low	145 Å²	145	124.7 Å²	124.7	76%	0.759	70%	0.704	S	S	*	*				1.7	146.8	92.9	-74.7	149.9	0	0	0	111.1
2868	P	27.4	Very low	24.7	Very low	88 Å²	88	124.4 Å²	124.4	57%	0.571	71%	0.707	S	S	*	*			cis	-119.1	172.3	-12	38.6	-23	0	0	0	112.4	T2834	T2834-P2868 WeakPolarHBondContact CG2-O 3.47Å
2869	T	23.1	Very low	24.4	Very low	61.5 Å²	61.5	124.4 Å²	124.4	38%	0.377	71%	0.707	S	S	.	*	S	Bend		149.6	123	85.1	50.2	0	0	0	0	118.4	N2141 Q2142 L2833 T2834	N2141-T2869 WeakPolarHBondContact CB-O 3.43Å; N2141-T2869 VanDerWaalsContact OD1-CB 3.3Å; N2141-T2869 WeakPolarHBondContact OD1-CB 3.49Å; N2141-T2869 PolarHBondContact OD1-O 3.17Å; N2141-T2869 VanDerWaalsContact OD1-O 3.11Å; N2141-T2869 PolarHBondContact OD1-OG1 3.06Å; Q2142-T2869 VanDerWaalsContact CD-O 3.31Å; Q2142-T2869 PolarHBondContact NE2-O 3.32Å; Q2142-T2869 VanDerWaalsContact NE2-O 3.14Å; L2833-T2869 WeakPolarHBondContact CA-OG1 3.38Å; L2833-T2869 HydrophobicContact CD2-CG2 4.18Å; L2833-T2869 HydrophobicContact CG-CG2 4.12Å; T2834-T2869 WeakPolarHBondContact CG2-O 3.49Å; T2834-T2869 WeakPolarHBondContact CG2-OG1 3.43Å; T2834-T2869 PolarHBondContact N-OG1 3.2Å
2870	T	23.9	Very low	24.2	Very low	44 Å²	44	120.2 Å²	120.2	27%	0.27	70%	0.697	S	S	.	*			trans	133.5	120.2	152.1	35.9	0	0	0	0	117.1	N2141 Q2142 M2143 L2833 T2834	N2141-T2870 HydrophobicContact CB-CG2 3.73Å; N2141-T2870 WeakPolarHBondContact O-CG2 3.37Å; Q2142-T2870 HydrophobicContact CB-CG2 3.38Å; Q2142-T2870 HydrophobicContact CG-CG2 3.83Å; Q2142-T2870 PolarHBondContact OE1-OG1 3.26Å; M2143-T2870 HydrophobicContact CG-CG2 3.7Å; M2143-T2870 VanDerWaalsContact SD-CB 3.57Å; M2143-T2870 HydrophobicContact SD-CG2 4.14Å; M2143-T2870 PolarHBondContact SD-OG1 2.88Å; L2833-T2870 HydrophobicContact CD2-CG2 3.49Å; L2833-T2870 VanDerWaalsContact CD2-CG2 3.49Å; T2834-T2870 WeakPolarHBondContact CG2-OG1 3.47Å; T2834-T2870 PolarHBondContact OG1-OG1 3.45Å
2871	S	23.2	Very low	24.2	Very low	89.5 Å²	89.5	128.2 Å²	128.2	63%	0.626	71%	0.709	S	S	*	*			trans	138.3	136	133.1	63.6	0	0	0	0	110.8
2872	Y	22.6	Very low	24.5	Very low	191.5 Å²	191.5	124.7 Å²	124.7	75%	0.751	70%	0.701	S	S	*	*				137.1	126	93.1	-80.7	-75.6	0	0	0	113.6	Y2874	Y2872-Y2874 PolarHBondContact O-N 3.3Å; Y2872-Y2874 VanDerWaalsContact O-N 3.13Å
2873	C	21.6	Very low	24.5	Very low	80.5 Å²	80.5	126.4 Å²	126.4	54%	0.544	71%	0.708	S	S	.	*			trans	-39.9	134.7	151.6	-32.6	0	0	0	0	112.4	M2143 D2144	M2143-C2873 VanDerWaalsContact CB-CA 3.48Å; M2143-C2873 HydrophobicContact CB-CB 4.15Å; M2143-C2873 HydrophobicContact CG-CB 4.48Å; D2144-C2873 PolarHBondContact OD2-SG 2.71Å
2874	Y	22.1	Very low	24.4	Very low	206.5 Å²	206.5	124.2 Å²	124.2	81%	0.81	70%	0.701	S	S	*	*				-167.1	130	107.9	-115.7	-73.1	0	0	0	113.9	Y2872	Y2872-Y2874 PolarHBondContact O-N 3.3Å; Y2872-Y2874 VanDerWaalsContact O-N 3.13Å
2875	L	24.1	Very low	24.6	Very low	117.5 Å²	117.5	124.7 Å²	124.7	62%	0.615	70%	0.7	S	S	*	*			trans	43.5	117	143.6	-80.3	147.6	0	0	0	119.8	P2877	L2875-P2877 WeakPolarHBondContact O-CD 3.29Å
2876	T	23.6	Very low	24.7	Very low	127.5 Å²	127.5	121.1 Å²	121.1	78%	0.782	69%	0.688	S	S	*	*			trans	-43.3	143.1	138	50.2	0	0	0	0	112.5
2877	P	27.8	Very low	24.8	Very low	116 Å²	116	117.6 Å²	117.6	75%	0.753	68%	0.678	S	S	*	*			trans	-132.5	138.4	136.2	25.3	-5.7	0	0	0	114.7	L2875	L2875-P2877 WeakPolarHBondContact O-CD 3.29Å
2878	T	23.2	Very low	25	Very low	138 Å²	138	119.2 Å²	119.2	85%	0.847	68%	0.682	S	S	*	*			trans	1.1	155.8	159.2	58.7	0	0	0	0	117.2
2879	A	25.1	Very low	24.8	Very low	89.5 Å²	89.5	123.8 Å²	123.8	74%	0.74	70%	0.696	S	S	*	*	S	Bend		-142.4	151	69.2	0	0	0	0	0	110
2880	S	23.5	Very low	24.8	Very low	104 Å²	104	125.2 Å²	125.2	73%	0.727	71%	0.706	S	S	*	*	S	Bend		-149.3	136.5	119	-58.3	0	0	0	0	113.6
2881	Y	25.6	Very low	24.8	Very low	230.5 Å²	230.5	132.1 Å²	132.1	90%	0.904	73%	0.733	S	S	*	*			trans	-62.1	131.3	156	-64.1	-81.8	0	0	0	114.1
2882	G	26.6	Very low	24.9	Very low	68.5 Å²	68.5	134.5 Å²	134.5	71%	0.706	74%	0.738	S	S	*	*			cis	114.8	85.3	-3.3	0	0	0	0	0	114.6
2883	V	27.8	Very low	25	Very low	149 Å²	149	130.8 Å²	130.8	90%	0.903	74%	0.735	S	S	*	*			trans	-135.6	140.2	161.6	-173.9	0	0	0	0	108.6
2884	N	23.3	Very low	25.1	Very low	128 Å²	128	132.3 Å²	132.3	68%	0.684	75%	0.746	S	S	*	*			trans	-134.6	168.8	-171.1	174.5	4.8	0	0	0	109.4	S2886	N2884-S2886 PolarHBondContact OD1-N 3.05Å
2885	V	26.4	Very low	25.2	Very low	119 Å²	119	126.7 Å²	126.7	72%	0.721	74%	0.737	S	S	*	*			trans	143	107	173.4	-136.2	0	0	0	0	113.2	T2887	V2885-T2887 HydrophobicContact CG1-CG2 4.25Å
2886	S	27.6	Very low	25.3	Very low	85.5 Å²	85.5	127.1 Å²	127.1	60%	0.598	74%	0.74	S	S	*	*				-61.5	122.2	77.7	60.2	0	0	0	0	116.7	N2884	N2884-S2886 PolarHBondContact OD1-N 3.05Å
2887	T	27.4	Very low	25.3	Very low	91 Å²	91	127.5 Å²	127.5	56%	0.558	73%	0.731	S	S	*	*				137.7	146.1	108.7	32.6	0	0	0	0	116	R2157 V2885	R2157-T2887 PolarHBondContact NH1-OG1 3.29Å; V2885-T2887 HydrophobicContact CG1-CG2 4.25Å
2888	Q	28.5	Very low	25.2	Very low	177 Å²	177	129 Å²	129	83%	0.827	73%	0.728	S	S	*	*			trans	74.7	108.7	164.8	-66	167.6	-23.3	0	0	117.1
2889	Q	22.7	Very low	25.2	Very low	185.5 Å²	185.5	127 Å²	127	87%	0.867	71%	0.712	S	S	*	*				-12.3	153.6	110.3	-80.3	172.1	-44.9	0	0	112.9
2890	P	24.7	Very low	25.6	Very low	90.5 Å²	90.5	127.4 Å²	127.4	59%	0.588	71%	0.707	S	S	*	*				-112.9	165.6	71	33.4	-19.7	0	0	0	113.6
2891	F	22.9	Very low	25.8	Very low	190 Å²	190	126.3 Å²	126.3	83%	0.833	70%	0.699	S	S	*	*			trans	110	136	150.6	-73.4	-67.2	0	0	0	115.1
2892	D	24.9	Very low	26	Very low	139.5 Å²	139.5	123.1 Å²	123.1	75%	0.746	69%	0.693	S	S	*	*				-175.4	150.9	70.4	-104.1	-15.9	0	0	0	107.6
2893	T	25.1	Very low	26	Very low	112.5 Å²	112.5	126.2 Å²	126.2	69%	0.69	69%	0.692	S	S	*	*			cis	-155.4	-177.3	-19.4	8.9	0	0	0	0	107.4
2894	C	24.3	Very low	26	Very low	113.5 Å²	113.5	124.2 Å²	124.2	77%	0.767	68%	0.683	S	S	*	*				167.7	167.8	68.7	-114.5	0	0	0	0	112.7
2895	S	24.8	Very low	26.2	Very low	87.5 Å²	87.5	120.4 Å²	120.4	61%	0.612	67%	0.674	S	S	*	*				118.6	124.1	-119.8	-80.7	0	0	0	0	115.2
2896	N	24.4	Very low	26.2	Very low	126.5 Å²	126.5	122.2 Å²	122.2	68%	0.676	68%	0.677	S	S	*	*			trans	50.8	122.9	162.9	-48.8	-23.6	0	0	0	114.7
2897	F	24.4	Very low	26	Very low	136 Å²	136	122.1 Å²	122.1	60%	0.596	67%	0.67	S	S	*	*				123.8	155.1	51.6	-90.4	-79.4	0	0	0	113.9
2898	Q	25.8	Very low	25.9	Very low	148.5 Å²	148.5	127.6 Å²	127.6	69%	0.694	68%	0.68	S	S	*	*				-63.8	150.3	90.7	-106.6	172.8	20.4	0	0	116.1
2899	N	23.8	Very low	25.8	Very low	96 Å²	96	125.2 Å²	125.2	51%	0.513	68%	0.678	S	S	.	*				161.3	-150	74.5	-99.2	65.1	0	0	0	117.3
2900	P	33.6	Very low	26	Very low	96.5 Å²	96.5	122.4 Å²	122.4	63%	0.627	67%	0.673	S	S	*	*				-103.7	167.3	-128.9	16.5	3.2	0	0	0	118.5
2901	S	26.7	Very low	25.8	Very low	81.5 Å²	81.5	123.6 Å²	123.6	57%	0.57	68%	0.682	S	S	*	*				-170.2	162.6	63.4	-23.2	0	0	0	0	111.1
2902	Q	29.1	Very low	26	Very low	164 Å²	164	119.3 Å²	119.3	77%	0.766	68%	0.676	S	S	*	*			trans	55.6	143.2	158.2	-60.1	174.5	-12.5	0	0	118.2
2903	L	28.4	Very low	26	Very low	132.5 Å²	132.5	120.6 Å²	120.6	69%	0.694	68%	0.68	S	S	*	*			cis	-159.8	166.4	-3.4	-120.4	162.2	0	0	0	111
2904	C	26.7	Very low	26	Very low	106.5 Å²	106.5	120.1 Å²	120.1	72%	0.72	68%	0.68	S	S	*	*			trans	146.1	142.5	-177.5	-63.8	0	0	0	0	116.1	I2389	I2389-C2904 VanDerWaalsContact CG2-CA 3.44Å
2905	G	26.8	Very low	26.2	Very low	48.5 Å²	48.5	119.9 Å²	119.9	50%	0.5	68%	0.68	S	S	.	*				-109.3	-146.6	78.1	0	0	0	0	0	114	I2389 S2390	I2389-G2905 CarbonylContact C-O 2.98Å; I2389-G2905 WeakPolarHBondContact CA-O 3.23Å; I2389-G2905 WeakPolarHBondContact CB-O 3.44Å; I2389-G2905 VanDerWaalsContact CG1-O 3.3Å; I2389-G2905 WeakPolarHBondContact CG1-O 3.37Å; I2389-G2905 WeakPolarHBondContact CG2-O 3.24Å; S2390-G2905 CarbonylContact C-O 3.58Å; S2390-G2905 WeakPolarHBondContact CA-O 3.44Å; S2390-G2905 PolarHBondContact N-O 3.49Å
2906	M	26.7	Very low	26.2	Very low	156.5 Å²	156.5	123 Å²	123	77%	0.771	69%	0.689	S	S	*	*				-156.3	155.2	103.7	-91.6	-116.8	-62.5	0	0	115.7	I2389 F2391	I2389-M2906 HydrophobicContact CG1-CG 4.33Å; F2391-M2906 VanDerWaalsContact CD2-C 3.46Å; F2391-M2906 WeakPolarHBondContact CD2-O 3.49Å; F2391-M2906 WeakPolarHBondContact CE2-O 3.5Å
2907	D	24.1	Very low	26.5	Very low	84 Å²	84	121.1 Å²	121.1	45%	0.449	68%	0.684	S	S	.	*			trans	-62.7	156.5	159	-131.1	11.2	0	0	0	117.8	F2391	F2391-D2907 HydrophobicContact CD1-CB 3.79Å; F2391-D2907 HydrophobicContact CD2-CB 4.36Å; F2391-D2907 HydrophobicContact CE1-CB 3.45Å; F2391-D2907 VanDerWaalsContact CE1-CB 3.45Å; F2391-D2907 WeakPolarHBondContact CE1-OD1 3.39Å; F2391-D2907 HydrophobicContact CE2-CB 4.04Å; F2391-D2907 HydrophobicContact CG-CB 4.27Å; F2391-D2907 HydrophobicContact CZ-CB 3.58Å; F2391-D2907 VanDerWaalsContact CZ-CG 3.44Å; F2391-D2907 WeakPolarHBondContact CZ-OD1 2.88Å
2908	R	26.3	Very low	26.7	Very low	206.5 Å²	206.5	120.4 Å²	120.4	78%	0.779	69%	0.686	S	S	*	*				134.9	164.9	98.1	-94.7	-179.5	-139.1	-160.7	-11.5	115.8
2909	V	24.5	Very low	26.8	Very low	127.5 Å²	127.5	117.6 Å²	117.6	77%	0.773	68%	0.684	S	S	*	*				-108.5	149.1	106.7	-156.2	0	0	0	0	111.8	C2911	V2909-C2911 HydrophobicContact CG1-CB 4.43Å
2910	T	26.9	Very low	26.9	Very low	126 Å²	126	117.4 Å²	117.4	77%	0.773	69%	0.688	S	S	*	*			trans	-149.9	126.8	136.6	38.2	0	0	0	0	111.9
2911	C	22.1	Very low	26.7	Very low	115 Å²	115	118.2 Å²	118.2	78%	0.777	69%	0.687	S	S	*	*				126	126.8	96.9	-84	0	0	0	0	110.6	V2909	V2909-C2911 HydrophobicContact CG1-CB 4.43Å
2912	S	25.7	Very low	26.9	Very low	99.5 Å²	99.5	121.2 Å²	121.2	70%	0.696	70%	0.696	S	S	*	*			cis	-166	159.9	22.4	-6.6	0	0	0	0	111.2
2913	M	25	Very low	26.6	Very low	168 Å²	168	120.1 Å²	120.1	83%	0.828	69%	0.691	S	S	*	*				132.7	144.8	89	-101	-44.4	142.9	0	0	115.8
2914	S	25.8	Very low	26.6	Very low	101 Å²	101	117.6 Å²	117.6	71%	0.706	68%	0.683	S	S	*	*				127.1	135	71.9	58.6	0	0	0	0	116.4
2915	S	27.5	Very low	26.5	Very low	110 Å²	110	119.7 Å²	119.7	77%	0.769	68%	0.682	S	S	*	*				-156.7	139.7	71.9	40.2	0	0	0	0	111.9
2916	L	25.3	Very low	26.5	Very low	153 Å²	153	124 Å²	124	80%	0.801	69%	0.693	S	S	*	*			trans	-118.2	-177.6	176.4	-131.8	83	0	0	0	107.8
2917	P	30.5	Very low	26.4	Very low	87 Å²	87	121 Å²	121	57%	0.565	69%	0.688	S	S	*	*			cis	-138.9	-143.8	37.5	30.7	-8.7	0	0	0	117
2918	N	29.3	Very low	26.5	Very low	120 Å²	120	124.4 Å²	124.4	64%	0.642	70%	0.7	S	S	*	*			trans	5.4	143.7	-178	-55.9	4.8	0	0	0	118.1
2919	S	27.4	Very low	26.6	Very low	91 Å²	91	120 Å²	120	64%	0.636	69%	0.691	S	S	*	*			cis	-170.2	-137.7	-12.8	49	0	0	0	0	109.9
2920	C	27.5	Very low	26.8	Very low	90.5 Å²	90.5	118.6 Å²	118.6	61%	0.611	69%	0.685	S	S	*	*				-112.6	143.4	-70.9	-63.1	0	0	0	0	113.5
2921	N	28.9	Very low	26.7	Very low	114 Å²	114	117.8 Å²	117.8	61%	0.61	68%	0.68	S	S	*	*				61.7	121	88	-68.1	-1	0	0	0	119.4
2922	L	29.7	Very low	26.9	Very low	144 Å²	144	117.1 Å²	117.1	75%	0.754	67%	0.672	S	S	*	*			cis	-165.9	139.8	48.5	-118.7	171.3	0	0	0	108.7	P2924	L2922-P2924 HydrophobicContact CB-CG 4.42Å; L2922-P2924 HydrophobicContact CD2-CB 4.17Å
2923	E	23.5	Very low	26.9	Very low	142 Å²	142	120 Å²	120	66%	0.664	68%	0.675	S	S	*	*			trans	-107.4	132.4	166.4	-150.4	-172.4	149.3	0	0	109	K2382	K2382-E2923 PolarHBondContact NZ-O 3.21Å
2924	P	27.5	Very low	26.9	Very low	79.5 Å²	79.5	114.7 Å²	114.7	52%	0.516	65%	0.65	S	S	.	*				-130.3	138.9	124	38.2	-23.5	0	0	0	114.3	L2922	L2922-P2924 HydrophobicContact CB-CG 4.42Å; L2922-P2924 HydrophobicContact CD2-CB 4.17Å
2925	Q	25.3	Very low	26.8	Very low	150 Å²	150	116.5 Å²	116.5	70%	0.701	64%	0.642	S	S	*	*			trans	-18.6	110.4	140.9	-70	-178.1	-20.6	0	0	113
2926	L	26.5	Very low	26.7	Very low	139.5 Å²	139.5	118.1 Å²	118.1	73%	0.73	64%	0.637	S	S	*	*			trans	-167.9	101.7	144.5	-118.1	161.8	0	0	0	111.8
2927	S	25.4	Very low	26.6	Very low	94 Å²	94	114.4 Å²	114.4	66%	0.657	62%	0.623	S	S	*	*			trans	-13.3	143	168.3	67.2	0	0	0	0	115.9	L2929	S2927-L2929 WeakPolarHBondContact O-CD1 3.3Å
2928	H	26.3	Very low	26.5	Very low	155 Å²	155	116.7 Å²	116.7	72%	0.718	63%	0.631	S	S	*	*			trans	34.9	104.4	172	-50.2	-69.9	0	0	0	119.2
2929	L	27.9	Very low	26.4	Very low	113.5 Å²	113.5	114.5 Å²	114.5	59%	0.594	62%	0.623	S	S	*	*				148.1	127.2	82.8	-84	102.6	0	0	0	111.8	S2927	S2927-L2929 WeakPolarHBondContact O-CD1 3.3Å
2930	P	28.9	Very low	26.4	Very low	97.5 Å²	97.5	113.9 Å²	113.9	63%	0.633	62%	0.619	S	S	*	*			trans	-131.9	131.3	-156.4	37.7	-25.2	0	0	0	118.6
2931	V	24.1	Very low	26.4	Very low	109.5 Å²	109.5	112.9 Å²	112.9	66%	0.664	61%	0.613	S	S	*	*			trans	142.4	93.7	151.8	-178.8	0	0	0	0	118.3
2932	T	26.6	Very low	26.2	Very low	100 Å²	100	116.1 Å²	116.1	61%	0.613	62%	0.622	S	S	*	*			trans	37.3	129.2	139.7	67.6	0	0	0	0	123.7
2933	Q	26.6	Very low	26.2	Very low	161 Å²	161	112.6 Å²	112.6	75%	0.752	61%	0.608	S	S	*	*				-152.4	133.8	115.7	-86.6	-178.8	27.1	0	0	107.8	N3052 Q3053	Q2933-N3052 PolarHBondContact O-ND2 2.82Å; Q2933-Q3053 PolarHBondContact O-NE2 3.19Å
2934	N	24.6	Very low	26.4	Very low	56.5 Å²	56.5	114.5 Å²	114.5	30%	0.302	61%	0.614	S	S	.	*	S	Bend	cis	-2.1	150.1	1.6	-98	-32.4	0	0	0	113.5	L3051 N3052	N2934-L3051 HydrophobicContact CB-CB 3.86Å; N2934-L3051 HydrophobicContact CB-CD1 3.96Å; N2934-L3051 HydrophobicContact CB-CD2 3.82Å; N2934-L3051 HydrophobicContact CB-CG 4.03Å; N2934-N3052 WeakPolarHBondContact CB-OD1 3.47Å; N2934-N3052 PolarHBondContact N-ND2 2.98Å; N2934-N3052 VanDerWaalsContact N-ND2 3.13Å; N2934-N3052 PolarHBondContact N-OD1 2.79Å; N2934-N3052 PolarHBondContact ND2-OD1 3.05Å; N2934-N3052 PolarHBondContact O-ND2 3.22Å
2935	Y	22.9	Very low	26.3	Very low	138 Å²	138	114 Å²	114	54%	0.541	61%	0.61	S	S	.	*			trans	8.3	162.6	165.9	-37.5	-52.4	0	0	0	114.5	T2278 P2279 L3051	T2278-Y2935 HydrophobicContact CG2-CD1 3.56Å; T2278-Y2935 HydrophobicContact CG2-CE1 3.37Å; T2278-Y2935 WeakPolarHBondContact OG1-CD1 3.36Å; P2279-Y2935 VanDerWaalsContact CD-CE2 3.49Å; P2279-Y2935 HydrophobicContact CG-CD2 4.33Å; P2279-Y2935 HydrophobicContact CG-CE2 3.76Å; Y2935-L3051 VanDerWaalsContact O-CB 3.27Å; Y2935-L3051 WeakPolarHBondContact O-CB 3.06Å; Y2935-L3051 WeakPolarHBondContact O-CD1 3.31Å
2936	Q	25.9	Very low	26.4	Very low	145 Å²	145	113.5 Å²	113.5	68%	0.678	61%	0.607	S	S	*	*				-119.7	-171.8	81.8	-64.9	-179.8	-52.5	0	0	110.5	N2938 L3051 N3052	Q2936-N2938 PolarHBondContact O-N 3.33Å; Q2936-N2938 VanDerWaalsContact O-N 3.15Å; Q2936-L3051 HydrophobicContact CG-CB 4.34Å; Q2936-L3051 PolarHBondContact NE2-O 2.69Å; Q2936-N3052 HydrophobicContact CG-CB 4.24Å; Q2936-N3052 PolarHBondContact NE2-O 3.12Å
2937	C	24.6	Very low	26.4	Very low	75.5 Å²	75.5	114 Å²	114	51%	0.51	61%	0.605	S	S	.	*				-117.4	137.3	89.8	-102.1	0	0	0	0	109.4	C2276 T2277 P2939 N3050	C2276-C2937 WeakPolarHBondContact CB-O 3.37Å; C2276-C2937 PolarHBondContact SG-O 3.04Å; T2277-C2937 HydrophobicContact CG2-CB 4.42Å; C2937-P2939 WeakPolarHBondContact O-CD 3.42Å; C2937-N3050 PolarHBondContact SG-ND2 3.23Å
2938	N	27.3	Very low	26.4	Very low	134 Å²	134	114.5 Å²	114.5	72%	0.717	61%	0.608	S	S	*	*				-141.5	115.9	71.5	-164.9	34.6	0	0	0	109.6	S2275 T2277 Q2936	S2275-N2938 CarbonylContact O-C 3.42Å; S2275-N2938 VanDerWaalsContact O-C 3.24Å; T2277-N2938 HydrophobicContact CG2-CB 4.29Å; Q2936-N2938 PolarHBondContact O-N 3.33Å; Q2936-N2938 VanDerWaalsContact O-N 3.15Å
2939	P	27.6	Very low	26.4	Very low	74.5 Å²	74.5	114.2 Å²	114.2	48%	0.484	61%	0.612	S	S	.	*				-116	137.8	-120.2	37.1	-25.1	0	0	0	113.2	S2275 T2277 C2937	S2275-P2939 CarbonylContact O-C 3.24Å; S2275-P2939 WeakPolarHBondContact O-CA 3.02Å; S2275-P2939 VanDerWaalsContact O-N 3.07Å; T2277-P2939 VanDerWaalsContact OG1-CA 3.3Å; T2277-P2939 WeakPolarHBondContact OG1-CA 3.35Å; T2277-P2939 VanDerWaalsContact OG1-CB 3.28Å; T2277-P2939 WeakPolarHBondContact OG1-CB 3.17Å; C2937-P2939 WeakPolarHBondContact O-CD 3.42Å
2940	S	27	Very low	26.4	Very low	79 Å²	79	114.1 Å²	114.1	55%	0.552	62%	0.621	S	S	*	*			trans	57	145.5	138.1	17	0	0	0	0	121.1	S2275 C2276 T2277	S2275-S2940 PolarHBondContact O-N 2.85Å; C2276-S2940 PolarHBondContact O-N 3.39Å; C2276-S2940 VanDerWaalsContact O-N 3.16Å; C2276-S2940 PolarHBondContact O-OG 2.75Å; T2277-S2940 PolarHBondContact OG1-OG 3.42Å
2941	S	26.8	Very low	26.3	Very low	69 Å²	69	118.4 Å²	118.4	48%	0.483	63%	0.633	S	S	.	*				-118	161.8	80.5	34.8	0	0	0	0	113.8
2942	F	25.2	Very low	26.4	Very low	180.5 Å²	180.5	118.3 Å²	118.3	79%	0.792	64%	0.637	S	S	*	*			trans	117.6	142.8	131.2	-91.4	-104	0	0	0	117.3
2943	P	30.1	Very low	26.4	Very low	71.5 Å²	71.5	120.5 Å²	120.5	46%	0.464	64%	0.644	S	S	.	*			trans	-96.3	173	169.9	39.7	-34.6	0	0	0	112.7	T2368	T2368-P2943 HydrophobicContact CG2-CB 3.69Å
2944	F	27.4	Very low	26.3	Very low	182.5 Å²	182.5	120.4 Å²	120.4	80%	0.8	65%	0.648	S	S	*	*			trans	-160.2	170.3	133	-106.9	-66.9	0	0	0	113	T2367 T2368	T2367-F2944 PolarHBondContact OG1-O 3.03Å; T2368-F2944 WeakPolarHBondContact CG2-O 3.48Å
2945	T	25	Very low	26.7	Very low	68 Å²	68	123 Å²	123	42%	0.417	67%	0.667	S	S	.	*			trans	-106.7	159.1	-154.6	13.8	0	0	0	0	114.4	T2368 D2369	T2368-T2945 HydrophobicContact CG2-CG2 4.47Å; T2368-T2945 VanDerWaalsContact OG1-CA 3.3Å; T2368-T2945 WeakPolarHBondContact OG1-CA 3.16Å; T2368-T2945 WeakPolarHBondContact OG1-CG2 3.33Å; D2369-T2945 HydrophobicContact CB-CG2 4.49Å; D2369-T2945 WeakPolarHBondContact OD2-CB 3.44Å; D2369-T2945 WeakPolarHBondContact OD2-CG2 3.44Å; D2369-T2945 PolarHBondContact OD2-OG1 3.21Å
2946	H	27	Very low	26.8	Very low	140 Å²	140	122.2 Å²	122.2	65%	0.648	68%	0.683	S	S	*	*			trans	-167.8	115.5	139.1	-100	-64.6	0	0	0	114.4
2947	H	27.1	Very low	26.8	Very low	150 Å²	150	118.8 Å²	118.8	69%	0.694	69%	0.686	S	S	*	*			trans	0.5	143	156.4	-57.6	-59.5	0	0	0	120.1
2948	S	25.6	Very low	26.8	Very low	103 Å²	103	121.5 Å²	121.5	72%	0.72	70%	0.7	S	S	*	*			trans	116.5	127.9	135.4	-13.4	0	0	0	0	117.7
2949	N	26.1	Very low	26.7	Very low	149.5 Å²	149.5	121.9 Å²	121.9	80%	0.799	70%	0.702	S	S	*	*				139.7	151.2	70.6	-84.2	-15.7	0	0	0	118
2950	S	28.9	Very low	26.8	Very low	111 Å²	111	126.4 Å²	126.4	78%	0.776	72%	0.717	S	S	*	*			trans	65.7	133.9	170.2	50.2	0	0	0	0	117.9
2951	Q	26.9	Very low	26.8	Very low	189 Å²	189	131.5 Å²	131.5	88%	0.883	73%	0.729	S	S	*	*			cis	141.8	147.7	21.2	-97.5	-178.3	-6	0	0	111.6
2952	S	26.2	Very low	26.9	Very low	106.5 Å²	106.5	134.9 Å²	134.9	75%	0.745	74%	0.741	S	S	*	*				133.6	150.3	85.9	125.5	0	0	0	0	118.1
2953	L	24.8	Very low	27.3	Very low	147.5 Å²	147.5	131.5 Å²	131.5	77%	0.772	74%	0.737	S	S	*	*			trans	110.3	135.9	-138.3	-92.1	114.6	0	0	0	118.6
2954	L	25.4	Very low	27.2	Very low	158.5 Å²	158.5	135 Å²	135	83%	0.83	75%	0.751	S	S	*	*			trans	75.8	146.8	141	-65.4	167.9	0	0	0	123.2
2955	P	32.5	Very low	27.4	Very low	109.5 Å²	109.5	133.5 Å²	133.5	71%	0.711	75%	0.749	S	S	*	*			trans	-128.9	174	-170.3	43.6	-30.5	0	0	0	118
2956	S	26	Very low	27.6	Very low	122.5 Å²	122.5	137.3 Å²	137.3	86%	0.857	77%	0.765	S	S	*	*			trans	104.4	128.4	147.3	-62	0	0	0	0	121
2957	G	25	Very low	27.6	Very low	73 Å²	73	137.1 Å²	137.1	75%	0.753	77%	0.769	S	S	*	*			trans	134.4	122	148	0	0	0	0	0	122.5
2958	V	25.1	Very low	27.7	Very low	133 Å²	133	135.9 Å²	135.9	81%	0.806	77%	0.767	S	S	*	*			trans	66.8	134.2	144.9	-173.4	0	0	0	0	120.6
2959	N	26	Very low	27.8	Very low	142 Å²	142	135.9 Å²	135.9	76%	0.759	77%	0.767	S	S	*	*			trans	130.8	148.6	-132.1	-79.1	-16.5	0	0	0	119.5
2960	Q	27.8	Very low	27.8	Very low	169 Å²	169	133 Å²	133	79%	0.79	76%	0.759	S	S	*	*			trans	75.5	130.1	145.1	-78.6	-176	2.9	0	0	125.5
2961	F	27.8	Very low	27.6	Very low	185 Å²	185	133.5 Å²	133.5	81%	0.811	76%	0.761	S	S	*	*			trans	73.3	133.4	147.8	-83.5	-88.2	0	0	0	124.2
2962	I	28.6	Very low	27.7	Very low	141 Å²	141	132.1 Å²	132.1	72%	0.723	75%	0.754	S	S	*	*			trans	-96.1	163.5	163.8	-4.1	167	0	0	0	109.4
2963	P	33	Very low	27.6	Very low	110.5 Å²	110.5	131.5 Å²	131.5	72%	0.718	75%	0.75	S	S	*	*			cis	-129.8	-177.4	11.2	33.4	-13	0	0	0	116.2
2964	D	28.6	Very low	27.5	Very low	143 Å²	143	132.1 Å²	132.1	77%	0.765	75%	0.753	S	S	*	*			trans	-107.1	151.7	173.6	-110.3	179	0	0	0	113.6
2965	M	31.4	Very low	27.4	Very low	152 Å²	152	129.1 Å²	129.1	75%	0.749	75%	0.746	S	S	*	*			cis	-177.8	129.4	36.3	-139	-123.5	-62.7	0	0	112
2966	I	30.2	Very low	27	Very low	147.5 Å²	147.5	129.2 Å²	129.2	76%	0.756	74%	0.744	S	S	*	*			trans	137.9	118.7	138.7	-99.7	173.7	0	0	0	117.7
2967	N	26.5	Very low	26.9	Very low	136.5 Å²	136.5	129.4 Å²	129.4	73%	0.73	74%	0.741	S	S	*	*			trans	144.5	151.8	143.6	-111.3	-29	0	0	0	119.1
2968	N	29.3	Very low	26.9	Very low	124 Å²	124	132.9 Å²	132.9	66%	0.663	74%	0.741	S	S	*	*			trans	141.3	134	153.5	-112.5	-25.2	0	0	0	119.5	S2970	N2968-S2970 VanDerWaalsContact CG-OG 3.29Å; N2968-S2970 PolarHBondContact ND2-OG 3.42Å; N2968-S2970 VanDerWaalsContact ND2-OG 3.12Å; N2968-S2970 WeakPolarHBondContact OD1-CB 3.14Å; N2968-S2970 PolarHBondContact OD1-N 2.84Å; N2968-S2970 PolarHBondContact OD1-OG 2.91Å
2969	S	27.2	Very low	26.9	Very low	102.5 Å²	102.5	135.2 Å²	135.2	72%	0.717	74%	0.74	S	S	*	*				-155	139.9	52.6	59.2	0	0	0	0	110.7
2970	S	26.6	Very low	26.9	Very low	88.5 Å²	88.5	134.1 Å²	134.1	62%	0.619	74%	0.738	S	S	*	*			trans	128.2	157.6	168.4	70.6	0	0	0	0	117.6	N2968	N2968-S2970 VanDerWaalsContact CG-OG 3.29Å; N2968-S2970 PolarHBondContact ND2-OG 3.42Å; N2968-S2970 VanDerWaalsContact ND2-OG 3.12Å; N2968-S2970 WeakPolarHBondContact OD1-CB 3.14Å; N2968-S2970 PolarHBondContact OD1-N 2.84Å; N2968-S2970 PolarHBondContact OD1-OG 2.91Å
2971	C	25.4	Very low	26.8	Very low	121.5 Å²	121.5	131.6 Å²	131.6	82%	0.821	73%	0.731	S	S	*	*				-154.3	165.6	76.3	-123	0	0	0	0	110.3
2972	Q	27.6	Very low	26.7	Very low	160 Å²	160	132.6 Å²	132.6	75%	0.748	73%	0.729	S	S	*	*				-118	128.5	-124.8	-145.6	-178.9	35.4	0	0	110.3
2973	S	24.6	Very low	26.7	Very low	94.5 Å²	94.5	129.8 Å²	129.8	66%	0.661	73%	0.727	S	S	*	*	S	Bend	trans	-113.4	135.2	164.3	54.9	0	0	0	0	111.1
2974	L	22.7	Very low	26.7	Very low	159.5 Å²	159.5	132.1 Å²	132.1	84%	0.835	73%	0.728	S	S	*	*	S	Bend	cis	-132.1	150.8	14.5	-114.7	75.8	0	0	0	111
2975	S	23	Very low	26.6	Very low	95.5 Å²	95.5	132.6 Å²	132.6	67%	0.668	73%	0.725	S	S	*	*				126.6	108.1	82.6	54.1	0	0	0	0	114.5
2976	T	24.6	Very low	26.3	Very low	112 Å²	112	130.6 Å²	130.6	69%	0.687	72%	0.716	S	S	*	*				43.5	103.7	116.8	63.4	0	0	0	0	117.9
2977	T	23.5	Very low	26.3	Very low	127 Å²	127	129.5 Å²	129.5	78%	0.779	71%	0.712	S	S	*	*	S	Bend	trans	5.1	169.8	139.8	-39.2	0	0	0	0	112.6	K2979	T2977-K2979 PolarHBondContact O-N 3.42Å
2978	I	26.3	Very low	26.4	Very low	145.5 Å²	145.5	129.6 Å²	129.6	75%	0.746	71%	0.708	S	S	*	*	S	Bend	trans	-128.7	106.7	158.7	-67	157.8	0	0	0	113
2979	K	24.4	Very low	26.5	Very low	181.5 Å²	181.5	131.3 Å²	131.3	79%	0.789	71%	0.712	S	S	*	*			trans	116.7	150.5	140.9	-85.2	174	-176.4	177.9	0	118.4	T2977	T2977-K2979 PolarHBondContact O-N 3.42Å
2980	T	25.5	Very low	26.5	Very low	119 Å²	119	131.2 Å²	131.2	73%	0.73	71%	0.711	S	S	*	*			trans	30.3	115.1	145.9	55.5	0	0	0	0	118.8
2981	D	27.1	Very low	26.6	Very low	117.5 Å²	117.5	131.6 Å²	131.6	63%	0.628	71%	0.714	S	S	*	*				-157	154.7	70.9	-128.7	8.3	0	0	0	110
2982	R	24.5	Very low	26.6	Very low	206.5 Å²	206.5	131.1 Å²	131.1	78%	0.779	71%	0.707	S	S	*	*				59.5	142.2	100.7	-126	-178.2	178.7	140.5	-1.8	116.3
2983	A	29	Very low	26.5	Very low	81 Å²	81	128.7 Å²	128.7	67%	0.669	71%	0.706	S	S	*	*			trans	69.3	162.4	152.8	0	0	0	0	0	117.5
2984	H	32.8	Very low	26.6	Very low	160 Å²	160	129.6 Å²	129.6	74%	0.741	71%	0.707	S	S	*	*				-66	142.4	-114.9	-89.4	-62.7	0	0	0	112.7
2985	H	25.5	Very low	26.6	Very low	153 Å²	153	131.5 Å²	131.5	71%	0.708	70%	0.704	S	S	*	*				31.5	124.1	97.4	-107.1	-23.3	0	0	0	114.6
2986	I	25.3	Very low	26.8	Very low	109 Å²	109	132.2 Å²	132.2	56%	0.559	71%	0.707	S	S	*	*				72	113.1	125	-56.2	165.3	0	0	0	113.7	V2994	I2986-V2994 HydrophobicContact CD1-CG1 3.72Å; I2986-V2994 HydrophobicContact CG1-CG1 4.3Å
2987	N	30.4	Very low	26.9	Very low	126 Å²	126	132.5 Å²	132.5	67%	0.674	71%	0.708	S	S	*	*			trans	129.3	128.6	144.1	-74.7	-22.1	0	0	0	113
2988	Q	30	Very low	26.9	Very low	138.5 Å²	138.5	136.1 Å²	136.1	65%	0.647	71%	0.709	S	S	*	*				153.3	145.2	56.9	-62	171.1	10.4	0	0	111.3
2989	Q	30.6	Very low	27	Very low	158 Å²	158	134.5 Å²	134.5	74%	0.738	71%	0.71	S	S	*	*	S	Bend	cis	-145.9	151.9	4.8	-85.6	163.4	-21	0	0	106.5
2990	S	27.9	Very low	27	Very low	100.5 Å²	100.5	128.2 Å²	128.2	70%	0.703	70%	0.698	S	S	*	*	S	Bend	cis	124.2	96.8	19	62.7	0	0	0	0	110.6
2991	S	28.7	Very low	26.9	Very low	98.5 Å²	98.5	127.9 Å²	127.9	69%	0.689	69%	0.691	S	S	*	*	S	Bend		-135	84	91.1	58	0	0	0	0	112.1
2992	T	24.3	Very low	26.8	Very low	109.5 Å²	109.5	128.5 Å²	128.5	67%	0.672	69%	0.689	S	S	*	*				-1.1	141.8	117.3	55.8	0	0	0	0	118.4
2993	P	26.3	Very low	26.8	Very low	111 Å²	111	122.9 Å²	122.9	72%	0.721	68%	0.681	S	S	*	*			cis	-124.5	166.4	-21.4	26.8	-4.1	0	0	0	112.6
2994	V	26.8	Very low	26.4	Very low	113.5 Å²	113.5	126.7 Å²	126.7	69%	0.688	68%	0.683	S	S	*	*				123.3	130.3	76.1	-175.6	0	0	0	0	115.7	I2986	I2986-V2994 HydrophobicContact CD1-CG1 3.72Å; I2986-V2994 HydrophobicContact CG1-CG1 4.3Å
2995	Y	21.8	Very low	26.4	Very low	198.5 Å²	198.5	124.2 Å²	124.2	78%	0.778	68%	0.681	S	S	*	*			trans	-37.6	153.4	155	-84.1	-83.4	0	0	0	114.6
2996	P	27.7	Very low	26.4	Very low	111 Å²	111	123.8 Å²	123.8	72%	0.721	68%	0.683	S	S	*	*				-142.3	168.8	56.1	41.1	-22.6	0	0	0	116.8
2997	V	26.1	Very low	26.3	Very low	116.5 Å²	116.5	124 Å²	124	71%	0.706	69%	0.689	S	S	*	*				-63.8	126	84.3	-177.1	0	0	0	0	115.2
2998	Y	23.1	Very low	25.9	Very low	203 Å²	203	124 Å²	124	80%	0.796	69%	0.693	S	S	*	*			trans	-93.2	134.7	136	-85.1	-86.6	0	0	0	116.3
2999	S	28.4	Very low	25.6	Very low	112 Å²	112	122.7 Å²	122.7	78%	0.783	70%	0.695	S	S	*	*				120.4	140.9	77.8	50	0	0	0	0	116.6
3000	G	25.3	Very low	25.2	Very low	50.5 Å²	50.5	118.1 Å²	118.1	52%	0.521	68%	0.681	S	S	.	*				157	170.2	74.9	0	0	0	0	0	114.5	L2251 F2252	L2251-G3000 CarbonylContact O-C 3.55Å; L2251-G3000 WeakPolarHBondContact O-CA 3.03Å; F2252-G3000 CarbonylContact O-C 3.25Å
3001	N	24.4	Very low	25	Very low	112 Å²	112	116.5 Å²	116.5	60%	0.599	67%	0.667	S	S	*	*			trans	-124.9	137.5	-174.3	-42.5	-65	0	0	0	116.7	L2251 F2252	L2251-N3001 CarbonylContact C-O 3.44Å; L2251-N3001 VanDerWaalsContact CA-O 3.26Å; L2251-N3001 WeakPolarHBondContact CA-O 3.07Å; L2251-N3001 PolarHBondContact N-O 2.76Å; L2251-N3001 PolarHBondContact O-N 2.8Å; F2252-N3001 PolarHBondContact N-O 2.81Å; F2252-N3001 CarbonylContact O-C 3.4Å; F2252-N3001 WeakPolarHBondContact O-CA 3.43Å; F2252-N3001 PolarHBondContact O-N 2.93Å; F2252-N3001 VanDerWaalsContact O-N 3.08Å
3002	F	24.2	Very low	24.8	Very low	130 Å²	130	119.5 Å²	119.5	57%	0.57	66%	0.663	S	S	*	*	E	Extended strand (participates in β ladder)	trans	104.2	153	170.1	-56.1	-60.9	0	0	0	119.5	P2250 F2252 S2253	P2250-F3002 HydrophobicContact CB-CD2 4.5Å; F2252-F3002 CarbonylContact C-O 3.58Å; F2252-F3002 WeakPolarHBondContact CA-O 3.02Å; F2252-F3002 PolarHBondContact N-O 3.01Å; F2252-F3002 PolarHBondContact O-N 3.1Å; S2253-F3002 PolarHBondContact N-O 3.11Å
3003	S	24.5	Very low	24.8	Very low	88 Å²	88	120.7 Å²	120.7	62%	0.615	67%	0.665	S	S	*	*			cis	176.9	129	-34.3	-86.4	0	0	0	0	112.6
3004	F	21.6	Very low	24.8	Very low	161 Å²	161	120.7 Å²	120.7	71%	0.706	66%	0.663	S	S	*	*			trans	34.9	174.3	146.3	-67.1	-75.3	0	0	0	124.4
3005	P	32.5	Very low	24.7	Very low	108 Å²	108	121.1 Å²	121.1	70%	0.701	66%	0.66	S	S	*	*			cis	-118.8	-151.7	-39.5	29.2	-5.7	0	0	0	110.5
3006	L	24	Very low	25	Very low	144 Å²	144	114.7 Å²	114.7	75%	0.754	65%	0.645	S	S	*	*			cis	-179.3	174.6	34.6	-146.1	174.4	0	0	0	110
3007	V	23.2	Very low	24.9	Very low	115 Å²	115	112.7 Å²	112.7	70%	0.697	63%	0.634	S	S	*	*			trans	117.6	103.6	151.6	178.4	0	0	0	0	119
3008	V	22.8	Very low	24.9	Very low	124 Å²	124	111.1 Å²	111.1	75%	0.752	62%	0.621	S	S	*	*			trans	65.3	135.7	135.4	165.4	0	0	0	0	119.9
3009	T	23.5	Very low	25	Very low	113 Å²	113	105.5 Å²	105.5	69%	0.693	60%	0.604	S	S	*	*			cis	-160.3	164.7	-2.2	19.3	0	0	0	0	115
3010	S	22.5	Very low	24.9	Very low	61 Å²	61	107.4 Å²	107.4	43%	0.427	60%	0.601	S	S	.	*			trans	71.3	100.1	145	-141.1	0	0	0	0	122.9	R2203	R2203-S3010 PolarHBondContact NH2-OG 2.86Å
3011	T	23.7	Very low	24.8	Very low	67 Å²	67	111.9 Å²	111.9	41%	0.411	61%	0.612	S	S	.	*			trans	67.5	121.8	141.6	61.7	0	0	0	0	123.2	V2202 R2203	V2202-T3011 HydrophobicContact CG1-CG2 3.93Å; R2203-T3011 VanDerWaalsContact NH1-CG2 3.26Å; R2203-T3011 PolarHBondContact NH1-OG1 2.71Å
3012	R	23.9	Very low	24.8	Very low	160 Å²	160	111 Å²	111	60%	0.604	61%	0.614	S	S	*	*			trans	65	149	144.2	-82.6	-168.3	160.5	103.9	-6	118.3	T2205	T2205-R3012 PolarHBondContact OG1-NH1 2.8Å; T2205-R3012 PolarHBondContact OG1-NH2 2.57Å
3013	D	25.6	Very low	24.9	Very low	136 Å²	136	111.8 Å²	111.8	73%	0.727	63%	0.63	S	S	*	*			cis	-139.6	173.5	5.7	-99.3	-46.4	0	0	0	111.5
3014	V	26.4	Very low	24.9	Very low	110 Å²	110	112 Å²	112	67%	0.667	63%	0.631	S	S	*	*			trans	-109.5	125.7	167.2	170.7	0	0	0	0	111.1	H3065	V3014-H3065 WeakPolarHBondContact CG1-O 2.93Å
3015	L	24.2	Very low	25.2	Very low	122 Å²	122	111.2 Å²	111.2	64%	0.639	64%	0.64	S	S	*	*			trans	-128.9	151.5	146.8	-110.2	174.8	0	0	0	108.1	S3066 C3067	L3015-S3066 CarbonylContact O-C 2.97Å; L3015-S3066 VanDerWaalsContact O-C 3.28Å; L3015-S3066 WeakPolarHBondContact O-CA 3.36Å; L3015-C3067 CarbonylContact C-O 3.22Å; L3015-C3067 CarbonylContact O-C 3.3Å; L3015-C3067 WeakPolarHBondContact O-CA 3.47Å; L3015-C3067 PolarHBondContact O-N 3.15Å; L3015-C3067 VanDerWaalsContact O-N 3.15Å
3016	S	27.3	Very low	24.8	Very low	64 Å²	64	109.3 Å²	109.3	45%	0.448	64%	0.64	S	S	.	*			trans	-127.6	157	-148.7	65.5	0	0	0	0	116.1	H3065 S3066	S3016-H3065 VanDerWaalsContact CA-O 3.28Å; S3016-H3065 WeakPolarHBondContact CA-O 2.92Å; S3016-H3065 WeakPolarHBondContact CB-O 3.26Å; S3016-S3066 CarbonylContact C-O 2.91Å
3017	S	25.6	Very low	24.8	Very low	70 Å²	70	109.2 Å²	109.2	49%	0.49	65%	0.65	S	S	.	*			trans	138.3	144.7	144.5	64.8	0	0	0	0	112.7	S3066	S3017-S3066 CarbonylContact C-O 3.08Å; S3017-S3066 PolarHBondContact N-O 3.27Å
3018	N	26.2	Very low	24.7	Very low	82 Å²	82	110.7 Å²	110.7	44%	0.439	66%	0.659	S	S	.	*			cis	-166.4	-165.3	-9.1	-115.6	-26	0	0	0	110.2	N2260 Q2261	N2260-N3018 CarbonylContact C-O 3.28Å; Q2261-N3018 PolarHBondContact N-O 3.1Å
3019	L	26.5	Very low	24.8	Very low	86 Å²	86	109.4 Å²	109.4	45%	0.45	66%	0.662	S	S	.	*			trans	78	159.4	162.1	-96.1	160.4	0	0	0	118.7	N2260 Q2261	N2260-L3019 WeakPolarHBondContact O-CB 3.46Å; Q2261-L3019 WeakPolarHBondContact O-CB 3.3Å; Q2261-L3019 WeakPolarHBondContact O-CD1 3.4Å
3020	Q	24.5	Very low	24.6	Very low	152 Å²	152	109 Å²	109	71%	0.71	66%	0.663	S	S	*	*				-177.6	163.6	-113.5	-169	-175.8	15.3	0	0	111.6
3021	L	25	Very low	24.8	Very low	145 Å²	145	114.9 Å²	114.9	76%	0.759	69%	0.685	S	S	*	*			trans	89.9	152	166.9	-54.6	163.1	0	0	0	117.1
3022	S	23.6	Very low	24.8	Very low	92 Å²	92	118.1 Å²	118.1	64%	0.643	70%	0.698	S	S	*	*				174.7	126.9	-52.4	51.5	0	0	0	0	112.2
3023	T	25.7	Very low	24.8	Very low	148 Å²	148	116.9 Å²	116.9	91%	0.908	70%	0.703	S	S	*	*			trans	179	156.1	157.6	25	0	0	0	0	109.1
3024	S	24.7	Very low	24.9	Very low	91 Å²	91	117.9 Å²	117.9	64%	0.636	71%	0.708	S	S	*	*			cis	-166.6	161.6	-8.6	50.9	0	0	0	0	110.9
3025	T	27.4	Very low	24.8	Very low	145 Å²	145	117.4 Å²	117.4	89%	0.89	71%	0.71	S	S	*	*			trans	63.1	141.7	167.1	59.3	0	0	0	0	118.5
3026	G	25.2	Very low	24.8	Very low	68 Å²	68	119.4 Å²	119.4	70%	0.701	72%	0.721	S	S	*	*			cis	174	168.3	-8.1	0	0	0	0	0	114.6
3027	C	23.1	Very low	24.5	Very low	143 Å²	143	123.5 Å²	123.5	97%	0.966	74%	0.737	S	S	*	*			trans	71.1	129.8	168	-61.3	0	0	0	0	120.2
3028	T	20.7	Very low	24.4	Very low	145 Å²	145	126.5 Å²	126.5	89%	0.89	75%	0.752	S	S	*	*			trans	-115.7	132.9	166.2	39.8	0	0	0	0	110.8
3029	A	25.1	Very low	24.3	Very low	97 Å²	97	132.1 Å²	132.1	80%	0.802	77%	0.772	S	S	*	*			trans	-162.8	134.7	163.6	0	0	0	0	0	107.2
3030	S	20	Very low	24.3	Very low	104 Å²	104	132.6 Å²	132.6	73%	0.727	78%	0.78	S	S	*	*			cis	75.9	84.4	13.6	-158	0	0	0	0	116.7
3031	Q	26.1	Very low	24.2	Very low	186 Å²	186	131 Å²	131	87%	0.869	78%	0.776	S	S	*	*			trans	176.9	160.9	138.8	-98.8	170.8	17.4	0	0	110
3032	I	25.2	Very low	24.1	Very low	134 Å²	134	133 Å²	133	69%	0.687	78%	0.776	S	S	*	*				-168.4	137.7	-58.9	-103.6	160.2	0	0	0	107.4
3033	N	23.5	Very low	24.2	Very low	135 Å²	135	137.3 Å²	137.3	72%	0.722	78%	0.783	S	S	*	*			trans	16.5	122.4	161.6	-54.2	-11.9	0	0	0	121
3034	N	26.6	Very low	24.2	Very low	156 Å²	156	137.4 Å²	137.4	83%	0.834	78%	0.778	S	S	*	*				158.9	145.9	124.4	-81	-25.1	0	0	0	111
3035	S	24.2	Very low	24.1	Very low	100 Å²	100	142.9 Å²	142.9	70%	0.699	79%	0.786	S	S	*	*			cis	-173.6	166.3	-16.4	53.2	0	0	0	0	110.4
3036	L	23.9	Very low	23.8	Very low	165 Å²	165	141.2 Å²	141.2	86%	0.864	78%	0.78	S	S	*	*			trans	85.3	155.8	162.6	-132.6	75.7	0	0	0	119
3037	L	22.6	Very low	23.8	Very low	149 Å²	149	141.9 Å²	141.9	78%	0.78	79%	0.787	S	S	*	*			trans	-81.6	152.4	-170.4	-64.1	65.7	0	0	0	112.3
3038	V	23.4	Very low	23.7	Very low	133 Å²	133	142.4 Å²	142.4	81%	0.806	78%	0.78	S	S	*	*				179.7	129.8	120.1	144.2	0	0	0	0	110.2
3039	K	23.4	Very low	23.7	Very low	201 Å²	201	139.4 Å²	139.4	87%	0.874	76%	0.764	S	S	*	*			trans	-87.5	140.3	158.6	-106.6	-173	175.5	-175.6	0	107.7
3040	P	26.6	Very low	23.7	Very low	95 Å²	95	137.9 Å²	137.9	62%	0.617	74%	0.743	S	S	*	*				-147.8	133.3	112.8	29.9	-10.2	0	0	0	116.4
3041	D	21.4	Very low	23.8	Very low	118 Å²	118	134.7 Å²	134.7	63%	0.631	72%	0.717	S	S	*	*				69.2	158.3	124.7	-49.8	-20.7	0	0	0	123.8
3042	Y	24	Very low	23.8	Very low	189 Å²	189	127.7 Å²	127.7	74%	0.741	69%	0.686	S	S	*	*			trans	62.7	93.6	172	-49.8	-66.4	0	0	0	114.5
3043	F	26.2	Very low	23.9	Very low	182 Å²	182	126.9 Å²	126.9	80%	0.798	68%	0.679	S	S	*	*			cis	-147.1	-165	21.8	-88.4	-73.9	0	0	0	110
3044	N	24.6	Very low	23.9	Very low	149 Å²	149	125.2 Å²	125.2	80%	0.797	68%	0.678	S	S	*	*			cis	-154.6	-175.6	19.1	-158.3	7.8	0	0	0	113.5
3045	Y	22.3	Very low	24.1	Very low	207 Å²	207	120.5 Å²	120.5	81%	0.812	66%	0.657	S	S	*	*			trans	-83.5	141.3	-171.9	-111.6	-113.4	0	0	0	116.4
3046	S	22.3	Very low	24.2	Very low	110 Å²	110	122.9 Å²	122.9	77%	0.769	66%	0.661	S	S	*	*			trans	45	121.6	142	65.3	0	0	0	0	122.1
3047	G	23.7	Very low	24.4	Very low	82 Å²	82	119.4 Å²	119.4	85%	0.845	64%	0.642	S	S	*	*			trans	-171.2	145	159.2	0	0	0	0	0	110.1
3048	N	21.3	Very low	24.7	Very low	154 Å²	154	117.5 Å²	117.5	82%	0.824	64%	0.639	S	S	*	*			trans	-132.1	151.4	-173.4	-148.8	33.4	0	0	0	110.1
3049	C	21.7	Very low	24.8	Very low	81 Å²	81	116.6 Å²	116.6	55%	0.547	64%	0.637	S	S	.	*			trans	68.6	154	170.3	-57.2	0	0	0	0	116.8
3050	N	23.9	Very low	25	Very low	66 Å²	66	112.7 Å²	112.7	35%	0.353	63%	0.63	S	S	.	*			cis	-163.3	128.2	-17	-105.4	-8.1	0	0	0	112.4	C2937	C2937-N3050 PolarHBondContact SG-ND2 3.23Å
3051	L	23.9	Very low	25.1	Very low	37 Å²	37	112.9 Å²	112.9	19%	0.194	62%	0.623	C	S	.	*				64.9	142.7	127	-48.1	166	0	0	0	123.1	N2934 Y2935 Q2936	N2934-L3051 HydrophobicContact CB-CB 3.86Å; N2934-L3051 HydrophobicContact CB-CD1 3.96Å; N2934-L3051 HydrophobicContact CB-CD2 3.82Å; N2934-L3051 HydrophobicContact CB-CG 4.03Å; Y2935-L3051 VanDerWaalsContact O-CB 3.27Å; Y2935-L3051 WeakPolarHBondContact O-CB 3.06Å; Y2935-L3051 WeakPolarHBondContact O-CD1 3.31Å; Q2936-L3051 HydrophobicContact CG-CB 4.34Å; Q2936-L3051 PolarHBondContact NE2-O 2.69Å
3052	N	24.6	Very low	25.4	Very low	39 Å²	39	115.6 Å²	115.6	21%	0.209	63%	0.625	C	S	.	*			trans	62.9	141.8	158.7	-95.2	24.7	0	0	0	117.8	Q2933 N2934 Q2936	Q2933-N3052 PolarHBondContact O-ND2 2.82Å; N2934-N3052 WeakPolarHBondContact CB-OD1 3.47Å; N2934-N3052 PolarHBondContact N-ND2 2.98Å; N2934-N3052 VanDerWaalsContact N-ND2 3.13Å; N2934-N3052 PolarHBondContact N-OD1 2.79Å; N2934-N3052 PolarHBondContact ND2-OD1 3.05Å; N2934-N3052 PolarHBondContact O-ND2 3.22Å; Q2936-N3052 HydrophobicContact CG-CB 4.24Å; Q2936-N3052 PolarHBondContact NE2-O 3.12Å
3053	Q	27.1	Very low	25.5	Very low	117 Å²	117	110.7 Å²	110.7	55%	0.547	61%	0.611	S	S	.	*			cis	-166.5	172	-8.2	-131	176.5	-10	0	0	106.5	Q2933	Q2933-Q3053 PolarHBondContact O-NE2 3.19Å
3054	S	24.9	Very low	25.5	Very low	100 Å²	100	106.4 Å²	106.4	70%	0.699	60%	0.6	S	S	*	*			cis	-145.6	-178.7	7.5	-76.1	0	0	0	0	110.2
3055	S	29.5	Very low	25.7	Very low	57 Å²	57	100.5 Å²	100.5	40%	0.399	57%	0.567	S	S	.	*			trans	-85.2	143	177.3	53.2	0	0	0	0	115.3
3056	I	26.1	Very low	25.9	Very low	150 Å²	150	94.1 Å²	94.1	77%	0.769	55%	0.553	S	S	*	*			trans	-138.7	144.8	144.4	-67.4	-169.2	0	0	0	109.2
3057	L	29.2	Very low	26.1	Very low	92 Å²	92	93.5 Å²	93.5	48%	0.482	55%	0.548	S	S	.	.			trans	-22.8	166.6	156.7	-73.7	95.7	0	0	0	116.9
3058	P	29	Very low	26	Very low	108 Å²	108	95.6 Å²	95.6	70%	0.701	54%	0.539	S	S	*	.				-168.9	176.1	60.5	47.4	-23.9	0	0	0	124.1
3059	C	25.2	Very low	26.2	Very low	115 Å²	115	93.7 Å²	93.7	78%	0.777	53%	0.533	S	S	*	.			trans	65.1	175.7	142.1	-76.7	0	0	0	0	118.9
3060	T	27.9	Very low	26.4	Very low	119 Å²	119	95.5 Å²	95.5	73%	0.73	54%	0.541	S	S	*	.			cis	-153	162.2	13.9	-23.4	0	0	0	0	107.6
3061	E	28.4	Very low	26.6	Very low	99 Å²	99	99.1 Å²	99.1	46%	0.463	56%	0.561	S	S	.	*			cis	-157.9	176.4	28.4	-85.3	-176.7	144.3	0	0	107.3	K2241	K2241-E3061 WeakPolarHBondContact CD-OE1 3.13Å; K2241-E3061 IonicContact NZ-OE1 3.96Å; K2241-E3061 PolarHBondContact NZ-OE1 3.44Å; K2241-E3061 VanDerWaalsContact NZ-OE1 3.11Å; K2241-E3061 IonicContact NZ-OE2 3.29Å; K2241-E3061 PolarHBondContact NZ-OE2 3.27Å
3062	R	26.9	Very low	26.6	Very low	175 Å²	175	104 Å²	104	66%	0.66	59%	0.587	S	S	*	*			cis	-175.3	175.7	-8.5	-104.2	-177	-150	-79.7	-8.3	105.6
3063	N	26.3	Very low	26.8	Very low	85 Å²	85	108.6 Å²	108.6	46%	0.455	62%	0.617	S	S	.	*			cis	-173.2	-175.8	-16.2	179	35.4	0	0	0	106.9
3064	V	27.1	Very low	26.8	Very low	93 Å²	93	107.9 Å²	107.9	56%	0.564	62%	0.624	S	S	*	*			trans	82.6	113.6	163.9	-173.5	0	0	0	0	115.3
3065	H	28.4	Very low	26.8	Very low	25 Å²	25	108.2 Å²	108.2	12%	0.116	63%	0.627	C	S	.	*			cis	-160.3	171.4	-2.3	-130.2	80.7	0	0	0	111.7	V3014 S3016	V3014-H3065 WeakPolarHBondContact CG1-O 2.93Å; S3016-H3065 VanDerWaalsContact CA-O 3.28Å; S3016-H3065 WeakPolarHBondContact CA-O 2.92Å; S3016-H3065 WeakPolarHBondContact CB-O 3.26Å
3066	S	26.9	Very low	26.8	Very low	73 Å²	73	112 Å²	112	51%	0.51	64%	0.642	S	S	.	*			trans	-98.5	174.3	161.8	59.8	0	0	0	0	110.7	L3015 S3016 S3017	L3015-S3066 CarbonylContact O-C 2.97Å; L3015-S3066 VanDerWaalsContact O-C 3.28Å; L3015-S3066 WeakPolarHBondContact O-CA 3.36Å; S3016-S3066 CarbonylContact C-O 2.91Å; S3017-S3066 CarbonylContact C-O 3.08Å; S3017-S3066 PolarHBondContact N-O 3.27Å
3067	C	25.5	Very low	26.8	Very low	97 Å²	97	110.2 Å²	110.2	66%	0.655	64%	0.638	S	S	*	*			cis	-147.2	-147.6	10.3	-157	0	0	0	0	112.9	L3015	L3015-C3067 CarbonylContact C-O 3.22Å; L3015-C3067 CarbonylContact O-C 3.3Å; L3015-C3067 WeakPolarHBondContact O-CA 3.47Å; L3015-C3067 PolarHBondContact O-N 3.15Å; L3015-C3067 VanDerWaalsContact O-N 3.15Å
3068	N	22.8	Very low	26.8	Very low	126 Å²	126	113 Å²	113	67%	0.674	65%	0.649	S	S	*	*			trans	-138.3	166.8	-171.7	-167	8.2	0	0	0	114.1
3069	V	25.4	Very low	26.7	Very low	113 Å²	113	112.2 Å²	112.2	69%	0.685	64%	0.638	S	S	*	*			trans	89.9	110.1	161	-179	0	0	0	0	120.9
3070	V	25.2	Very low	26.8	Very low	120 Å²	120	112.7 Å²	112.7	73%	0.727	64%	0.643	S	S	*	*			trans	68.4	130	145.2	168.7	0	0	0	0	118.8
3071	D	27.9	Very low	26.7	Very low	142 Å²	142	110.1 Å²	110.1	76%	0.759	64%	0.64	S	S	*	*				-155.8	-177.1	65	-144.7	-22.2	0	0	0	117.1
3072	N	24.5	Very low	26.5	Very low	138 Å²	138	108.7 Å²	108.7	74%	0.738	64%	0.641	S	S	*	*			trans	-96.1	152	-159	-68.2	-94.2	0	0	0	116.3
3073	T	28.5	Very low	26.4	Very low	137 Å²	137	106.5 Å²	106.5	84%	0.84	63%	0.634	S	S	*	*			trans	-151.8	153.7	154.7	47.4	0	0	0	0	111.1
3074	S	27.3	Very low	26.2	Very low	101 Å²	101	106.5 Å²	106.5	71%	0.706	64%	0.639	S	S	*	*			cis	-170.1	157.4	-24.8	58.4	0	0	0	0	110.9
3075	S	24.8	Very low	26.2	Very low	108 Å²	108	107.9 Å²	107.9	76%	0.755	65%	0.653	S	S	*	*			trans	-132.9	114.2	143.2	58.2	0	0	0	0	107.2
3076	L	28.4	Very low	26.1	Very low	137 Å²	137	110 Å²	110	72%	0.717	68%	0.681	S	S	*	*				48.1	118.5	95.9	-77.1	84.7	0	0	0	113.2
3077	T	27.8	Very low	26	Very low	111 Å²	111	113.8 Å²	113.8	68%	0.681	69%	0.694	S	S	*	*			cis	-163.2	-163.3	-8.8	0.1	0	0	0	0	107.6
3078	Q	27.9	Very low	25.9	Very low	151 Å²	151	116.6 Å²	116.6	71%	0.706	70%	0.698	S	S	*	*			cis	-156.5	131.5	14.9	-154.3	122.5	-25.7	0	0	113.9
3079	L	26.5	Very low	26	Very low	91 Å²	91	118.9 Å²	118.9	48%	0.476	70%	0.704	S	S	.	*			trans	36.4	138.1	142	-71.9	165.1	0	0	0	124.4	Q2269	Q2269-L3079 HydrophobicContact CB-CD2 4.03Å
3080	S	28.7	Very low	25.8	Very low	125 Å²	125	122.1 Å²	122.1	87%	0.874	71%	0.712	S	S	*	*			trans	70.1	143.2	157.6	70.3	0	0	0	0	118.7
3081	G	26	Very low	25.9	Very low	65 Å²	65	121 Å²	121	67%	0.67	71%	0.707	S	S	*	*			cis	179	125.9	-9.4	0	0	0	0	0	116
3082	S	24	Very low	25.6	Very low	70 Å²	70	118.8 Å²	118.8	49%	0.49	70%	0.699	S	S	.	*			trans	62.6	146.5	140.1	65.9	0	0	0	0	123.8	E2272	E2272-S3082 VanDerWaalsContact OE2-CB 3.3Å; E2272-S3082 WeakPolarHBondContact OE2-CB 3.35Å
3083	Y	24.3	Very low	25.6	Very low	129 Å²	129	119.8 Å²	119.8	51%	0.506	70%	0.697	S	S	.	*			trans	81.4	152.1	164.6	-63.7	-73.7	0	0	0	121	E2272	E2272-Y3083 PolarHBondContact OE1-OH 3.39Å; E2272-Y3083 WeakPolarHBondContact OE2-CE2 3.43Å; E2272-Y3083 PolarHBondContact OE2-OH 3.19Å
3084	C	22.5	Very low	25.5	Very low	84 Å²	84	117.2 Å²	117.2	57%	0.568	68%	0.676	S	S	*	*			trans	-143.9	156.4	-160.7	-33.9	0	0	0	0	113.2	L2274	L2274-C3084 HydrophobicContact CD1-CB 3.76Å; L2274-C3084 HydrophobicContact CG-CB 3.95Å
3085	S	26.4	Very low	25.6	Very low	122 Å²	122	117.9 Å²	117.9	85%	0.853	67%	0.671	S	S	*	*			trans	-165.4	141.2	166	60	0	0	0	0	114.1
3086	G	27	Very low	25.8	Very low	69 Å²	69	113.5 Å²	113.5	71%	0.711	64%	0.64	S	S	*	*			trans	83	116.7	170.6	0	0	0	0	0	114
3087	I	24	Very low	25.8	Very low	154 Å²	154	108.5 Å²	108.5	79%	0.79	62%	0.616	S	S	*	*			cis	80.5	119.2	21.7	-49.3	-179.8	0	0	0	115.4
3088	Q	24.6	Very low	25.7	Very low	155 Å²	155	104.7 Å²	104.7	72%	0.724	59%	0.594	S	S	*	*			trans	76.6	115.9	158.9	-80.8	171.1	-34.6	0	0	122.8
3089	Q	24.3	Very low	25.7	Very low	174 Å²	174	98.5 Å²	98.5	81%	0.813	57%	0.566	S	S	*	*				82.8	131.5	127.3	-71	171.3	-8.1	0	0	122.7
3090	Q	21.4	Very low	26	Very low	181 Å²	181	96 Å²	96	85%	0.846	55%	0.551	S	S	*	*			trans	-54.7	171.8	163.6	-75.1	173.3	-30.2	0	0	114.8
3091	P	26.7	Very low	26.1	Very low	97 Å²	97	92.7 Å²	92.7	63%	0.63	52%	0.524	S	S	*	.			cis	-144.3	163.2	-27.1	35.5	-16.5	0	0	0	117.3
3092	T	22.7	Very low	26.4	Very low	95 Å²	95	92.3 Å²	92.3	58%	0.583	51%	0.511	S	S	*	.			trans	75.3	134.5	143.9	54.6	0	0	0	0	124.3
3093	F	22.9	Very low	26.9	Very low	160 Å²	160	95 Å²	95	70%	0.702	52%	0.52	S	S	*	.			trans	75.6	140.9	157.1	-66.1	-58.6	0	0	0	118.5
3094	Q	27.8	Very low	27.4	Very low	83 Å²	83	95.9 Å²	95.9	39%	0.388	53%	0.531	S	S	.	.			cis	-135.8	165.7	10.2	-92.6	-144.4	-25.5	0	0	116.1	N2307 H2308 P2309	N2307-Q3094 PolarHBondContact OD1-OE1 2.91Å; H2308-Q3094 PolarHBondContact CD2-OE1 2.89Å; H2308-Q3094 VanDerWaalsContact NE2-CD 3.28Å; H2308-Q3094 WeakPolarHBondContact NE2-CG 3.45Å; H2308-Q3094 PolarHBondContact NE2-OE1 3.23Å; P2309-Q3094 VanDerWaalsContact CD-NE2 3.31Å
3095	N	27.9	Very low	27.9	Very low	114 Å²	114	96.3 Å²	96.3	61%	0.61	54%	0.535	S	S	*	.			trans	-86.5	-122.8	166.3	-97.4	49.1	0	0	0	111.1	S3134	N3095-S3134 PolarHBondContact ND2-OG 3.48Å
3096	T	30.7	Very low	28	Very low	17 Å²	17	94.9 Å²	94.9	10%	0.104	53%	0.526	C	S	.	.				45.2	167.6	-95.2	71.8	0	0	0	0	118.8	S2306 S3134 T3135 H3136	S2306-T3096 WeakPolarHBondContact OG-CG2 3.49Å; T3096-S3134 CarbonylContact C-O 3.5Å; T3096-S3134 CarbonylContact O-C 2.97Å; T3096-S3134 VanDerWaalsContact O-C 3.31Å; T3096-S3134 PolarHBondContact O-OG 3.12Å; T3096-T3135 VanDerWaalsContact OG1-CA 3.22Å; T3096-T3135 WeakPolarHBondContact OG1-CA 3.23Å; T3096-T3135 WeakPolarHBondContact OG1-CB 3.34Å; T3096-T3135 WeakPolarHBondContact OG1-CG2 3.43Å; T3096-H3136 WeakPolarHBondContact CA-CD2 3.27Å; T3096-H3136 VanDerWaalsContact CB-CD2 3.43Å; T3096-H3136 WeakPolarHBondContact CB-CD2 3.3Å; T3096-H3136 VanDerWaalsContact CB-N 3.28Å; T3096-H3136 HydrophobicContact CG2-CB 3.73Å; T3096-H3136 PolarHBondContact OG1-N 3.38Å
3097	S	26.6	Very low	28.4	Very low	31 Å²	31	97.8 Å²	97.8	22%	0.217	53%	0.525	C	S	.	.			cis	154	-155.8	-10.2	50.9	0	0	0	0	116.5	S3134 T3135 H3136	S3097-S3134 PolarHBondContact N-O 3.42Å; S3097-S3134 PolarHBondContact N-OG 3.03Å; S3097-S3134 CarbonylContact O-C 3.41Å; S3097-S3134 WeakPolarHBondContact O-CA 3.43Å; S3097-S3134 WeakPolarHBondContact O-CB 3.42Å; S3097-S3134 PolarHBondContact O-N 2.96Å; S3097-S3134 VanDerWaalsContact O-N 3.12Å; S3097-T3135 CarbonylContact C-O 3.32Å; S3097-T3135 PolarHBondContact O-N 2.85Å; S3097-H3136 WeakPolarHBondContact CA-ND1 3.35Å; S3097-H3136 WeakPolarHBondContact CB-CE1 3.4Å; S3097-H3136 WeakPolarHBondContact CB-ND1 3.44Å; S3097-H3136 PolarHBondContact OG-CD2 3.1Å; S3097-H3136 VanDerWaalsContact OG-CD2 3.3Å; S3097-H3136 PolarHBondContact OG-CE1 2.82Å; S3097-H3136 PolarHBondContact OG-NE2 2.95Å
3098	S	27.1	Very low	29	Very low	32 Å²	32	97.6 Å²	97.6	22%	0.224	52%	0.524	C	S	.	.			trans	-169.2	-163.6	-175.5	38.7	0	0	0	0	116.6	T3135 I3137	S3098-T3135 WeakPolarHBondContact CA-O 2.99Å; S3098-T3135 PolarHBondContact N-O 3.09Å; S3098-I3137 WeakPolarHBondContact O-CG1 3.41Å; S3098-I3137 PolarHBondContact O-N 3.3Å
3099	D	28	Very low	29.6	Very low	21 Å²	21	93 Å²	93	11%	0.112	52%	0.517	C	S	.	.			trans	71.2	151.3	148.8	-36.4	-52.2	0	0	0	123.1	V2299 V3127 I3137	V2299-D3099 WeakPolarHBondContact CG2-O 3.17Å; D3099-V3127 WeakPolarHBondContact CB-O 3.35Å; D3099-V3127 VanDerWaalsContact CG-O 3.29Å; D3099-I3137 HydrophobicContact CB-CG1 4.24Å; D3099-I3137 VanDerWaalsContact OD2-CD1 3.28Å; D3099-I3137 WeakPolarHBondContact OD2-CD1 3.28Å
3100	F	31.7	Very low	29.7	Very low	37 Å²	37	88.5 Å²	88.5	16%	0.162	51%	0.506	C	S	.	.			trans	146.3	159	131.5	-92.2	-103.7	0	0	0	114.8	V2299 V2300 K2302 T3125 I3137	V2299-F3100 CarbonylContact C-O 3.24Å; V2299-F3100 WeakPolarHBondContact CA-O 3.48Å; V2299-F3100 HydrophobicContact CG1-CB 3.69Å; V2300-F3100 CarbonylContact C-O 2.65Å; V2300-F3100 PolarHBondContact N-O 3.5Å; V2300-F3100 CarbonylContact O-C 3.28Å; K2302-F3100 WeakPolarHBondContact O-CD1 3.1Å; K2302-F3100 VanDerWaalsContact O-CE1 3.26Å; K2302-F3100 WeakPolarHBondContact O-CE1 2.92Å; F3100-T3125 HydrophobicContact CZ-CG2 4.46Å; F3100-I3137 HydrophobicContact CD2-CB 4.32Å; F3100-I3137 HydrophobicContact CD2-CG1 4.14Å; F3100-I3137 HydrophobicContact CD2-CG2 4.07Å; F3100-I3137 HydrophobicContact CE2-CB 3.98Å; F3100-I3137 HydrophobicContact CE2-CD1 4.2Å; F3100-I3137 HydrophobicContact CE2-CG1 3.85Å; F3100-I3137 HydrophobicContact CE2-CG2 3.33Å; F3100-I3137 HydrophobicContact CZ-CG2 3.97Å
3101	L	31	Very low	30.5	Very low	57 Å²	57	87.6 Å²	87.6	30%	0.298	51%	0.506	S	S	.	.			cis	171.7	-166.3	-45.1	-111.4	155.6	0	0	0	112.6	V2300 D2301 V3127	V2300-L3101 PolarHBondContact O-N 3.04Å; D2301-L3101 PolarHBondContact O-N 2.66Å; L3101-V3127 HydrophobicContact CD1-CB 3.61Å; L3101-V3127 HydrophobicContact CD1-CG1 4.06Å; L3101-V3127 HydrophobicContact CD2-CB 4.09Å; L3101-V3127 HydrophobicContact CD2-CG1 3.73Å; L3101-V3127 HydrophobicContact CG-CB 4.44Å; L3101-V3127 HydrophobicContact CG-CG1 4.4Å
3102	S	32.1	Very low	30.6	Very low	57 Å²	57	89.6 Å²	89.6	40%	0.399	51%	0.507	S	S	.	.			trans	91.1	148.4	145.1	79.1	0	0	0	0	116.8	D2301	D2301-S3102 PolarHBondContact O-OG 3.17Å
3103	N	34.6	Very low	30.8	Very low	126 Å²	126	93 Å²	93	67%	0.674	51%	0.514	S	S	*	.			cis	-153.1	168.9	39	-88.4	-69.7	0	0	0	111.3
3104	I	35	Very low	31.1	Very low	147 Å²	147	92.4 Å²	92.4	75%	0.754	52%	0.517	S	S	*	.			cis	-160.2	164.1	12.3	-127.3	153.2	0	0	0	106.7
3105	S	33.7	Very low	31	Very low	93 Å²	93	95.4 Å²	95.4	65%	0.65	53%	0.533	S	S	*	.			cis	179.5	-172.9	-30	74.4	0	0	0	0	107.5
3106	S	28.8	Very low	30.8	Very low	93 Å²	93	96.1 Å²	96.1	65%	0.65	54%	0.541	S	S	*	.			cis	-166.9	-23.9	-3.2	29.8	0	0	0	0	115.3
3107	N	33.8	Very low	30.5	Very low	129 Å²	129	102.6 Å²	102.6	69%	0.69	58%	0.575	S	S	*	*			trans	-144	161.7	-137.6	-108.8	-65.2	0	0	0	113.9
3108	I	37.8	Very low	30.2	Very low	151 Å²	151	108 Å²	108	77%	0.774	61%	0.607	S	S	*	*			cis	-156.5	153.3	5.3	-169.8	160	0	0	0	109.8
3109	G	36.4	Very low	30.1	Very low	57 Å²	57	110.8 Å²	110.8	59%	0.588	63%	0.632	S	S	*	*			cis	128.9	100.2	-14.7	0	0	0	0	0	116.3
3110	S	27.4	Very low	30	Very low	81 Å²	81	114.9 Å²	114.9	57%	0.566	66%	0.662	S	S	*	*			cis	-177	117.9	-36.3	41.2	0	0	0	0	108.7	Q3112	S3110-Q3112 WeakPolarHBondContact O-CG 3.45Å; S3110-Q3112 PolarHBondContact O-NE2 2.76Å
3111	N	38.8	Very low	29.9	Very low	161 Å²	161	116.7 Å²	116.7	86%	0.861	68%	0.676	S	S	*	*			trans	-123	116	-167.8	-61.7	-8.2	0	0	0	112
3112	Q	27.9	Very low	29.7	Very low	139 Å²	139	117 Å²	117	65%	0.65	68%	0.68	S	S	*	*			cis	73.7	146.4	32.3	-56.9	-170.6	79.1	0	0	115.2	S3110	S3110-Q3112 WeakPolarHBondContact O-CG 3.45Å; S3110-Q3112 PolarHBondContact O-NE2 2.76Å
3113	F	27.8	Very low	29.7	Very low	166 Å²	166	114.6 Å²	114.6	73%	0.728	66%	0.664	S	S	*	*			cis	-95.8	-117.2	3.7	-56.9	-79.6	0	0	0	113.7	M3115	F3113-M3115 HydrophobicContact CB-CG 4.34Å
3114	I	28.6	Very low	29.4	Very low	148 Å²	148	114.1 Å²	114.1	76%	0.759	66%	0.662	S	S	*	*			cis	-157.4	143.7	13.6	-71.4	171.8	0	0	0	107.1
3115	M	24.8	Very low	29	Very low	147 Å²	147	109.9 Å²	109.9	72%	0.724	64%	0.643	S	S	*	*			cis	-165.6	158	-19.8	-100.2	-156.9	-64.3	0	0	109.5	F3113	F3113-M3115 HydrophobicContact CB-CG 4.34Å
3116	V	23.3	Very low	29	Very low	128 Å²	128	113 Å²	113	78%	0.776	65%	0.65	S	S	*	*			trans	41.6	73.6	164.4	-163.9	0	0	0	0	118.3
3117	N	24.3	Very low	29	Very low	154 Å²	154	112 Å²	112	82%	0.824	64%	0.641	S	S	*	*	S	Bend		-168.5	170.8	114.8	-106.6	-20.8	0	0	0	110.5	A3119	N3117-A3119 PolarHBondContact O-N 3.18Å
3118	T	22.1	Very low	28.9	Very low	145 Å²	145	111.2 Å²	111.2	89%	0.89	64%	0.636	S	S	*	*			trans	-69.4	108.2	-163.6	47.7	0	0	0	0	115.8
3119	A	25.3	Very low	28.5	Very low	90 Å²	90	109.6 Å²	109.6	74%	0.744	63%	0.629	S	S	*	*			trans	-161.3	161.3	158.5	0	0	0	0	0	112.6	N3117	N3117-A3119 PolarHBondContact O-N 3.18Å
3120	S	25.9	Very low	28	Very low	106 Å²	106	113.9 Å²	113.9	74%	0.741	64%	0.637	S	S	*	*			trans	64.3	91.4	159.6	57	0	0	0	0	124
3121	T	28.3	Very low	27.9	Very low	75 Å²	75	113 Å²	113	46%	0.46	63%	0.628	S	S	.	*				70.7	115.9	119.9	52.6	0	0	0	0	126.7	M3142 L3143	T3121-M3142 PolarHBondContact O-N 3.03Å; T3121-L3143 HydrophobicContact CG2-CB 3.98Å; T3121-L3143 HydrophobicContact CG2-CD1 3.51Å; T3121-L3143 HydrophobicContact CG2-CG 4.39Å
3122	T	27.4	Very low	27.1	Very low	63 Å²	63	111.5 Å²	111.5	39%	0.387	63%	0.625	S	S	.	*			trans	-131.3	148.8	175.5	44.2	0	0	0	0	118.6	Y3139 P3140 M3142	T3122-Y3139 WeakPolarHBondContact O-CD1 3.34Å; T3122-Y3139 VanDerWaalsContact O-CE1 3.23Å; T3122-Y3139 WeakPolarHBondContact O-CE1 3.14Å; T3122-P3140 HydrophobicContact CG2-CB 4.44Å; T3122-M3142 VanDerWaalsContact C-N 3.34Å; T3122-M3142 VanDerWaalsContact CA-N 3.33Å; T3122-M3142 WeakPolarHBondContact O-CB 3.22Å; T3122-M3142 WeakPolarHBondContact O-CG 2.98Å
3123	A	31.3	Very low	27.3	Very low	7 Å²	7	108.6 Å²	108.6	6%	0.058	62%	0.616	C	S	.	*			trans	-71.3	154.5	-139.6	0	0	0	0	0	126.3	Y3139 P3140 G3141	A3123-Y3139 WeakPolarHBondContact O-CD1 3.33Å; A3123-Y3139 WeakPolarHBondContact O-CD2 3.15Å; A3123-Y3139 WeakPolarHBondContact O-CE1 3.01Å; A3123-P3140 VanDerWaalsContact CB-CA 3.44Å; A3123-P3140 WeakPolarHBondContact CB-O 3.36Å; A3123-G3141 WeakPolarHBondContact CA-O 3.07Å; A3123-G3141 WeakPolarHBondContact CB-O 3.3Å; A3123-G3141 VanDerWaalsContact N-C 3.34Å
3124	N	28.9	Very low	27.2	Very low	117 Å²	117	103.2 Å²	103.2	63%	0.626	60%	0.6	S	S	*	*			trans	-48.1	136.2	143.1	-44.6	18.8	0	0	0	115.4	M3142	N3124-M3142 WeakPolarHBondContact OD1-CG 3.45Å
3125	T	26.4	Very low	27.2	Very low	58 Å²	58	97 Å²	97	36%	0.356	57%	0.569	S	S	.	*			trans	-141.6	153	145.7	10.5	0	0	0	0	107.7	F3100 I3137 P3138 Y3139	F3100-T3125 HydrophobicContact CZ-CG2 4.46Å; T3125-I3137 VanDerWaalsContact OG1-CG2 3.23Å; T3125-I3137 WeakPolarHBondContact OG1-CG2 2.97Å; T3125-P3138 PolarHBondContact OG1-O 2.75Å; T3125-P3138 VanDerWaalsContact OG1-O 3.12Å; T3125-Y3139 PolarHBondContact OG1-N 2.65Å
3126	I	32.7	Very low	27.4	Very low	158 Å²	158	92.1 Å²	92.1	81%	0.81	54%	0.544	S	S	*	.			trans	-143.2	114.3	169.3	-56.3	176.6	0	0	0	108.1
3127	V	30.3	Very low	27.6	Very low	73 Å²	73	86.4 Å²	86.4	44%	0.442	51%	0.509	S	S	.	.			trans	-151.1	154.3	144.1	179.2	0	0	0	0	106	D3099 L3101	D3099-V3127 WeakPolarHBondContact CB-O 3.35Å; D3099-V3127 VanDerWaalsContact CG-O 3.29Å; L3101-V3127 HydrophobicContact CD1-CB 3.61Å; L3101-V3127 HydrophobicContact CD1-CG1 4.06Å; L3101-V3127 HydrophobicContact CD2-CB 4.09Å; L3101-V3127 HydrophobicContact CD2-CG1 3.73Å; L3101-V3127 HydrophobicContact CG-CB 4.44Å; L3101-V3127 HydrophobicContact CG-CG1 4.4Å
3128	D	30.7	Very low	27.9	Very low	111 Å²	111	81.8 Å²	81.8	59%	0.594	49%	0.487	S	S	*	.			trans	-61.1	174.5	-172.4	-35	-86.1	0	0	0	114.1
3129	D	29.1	Very low	28.1	Very low	118 Å²	118	75.9 Å²	75.9	63%	0.631	45%	0.449	S	S	*	.			cis	-156.9	167.4	18.1	-160.7	-2.3	0	0	0	112.1
3130	I	25.8	Very low	28.4	Very low	146 Å²	146	76.7 Å²	76.7	75%	0.749	45%	0.447	S	S	*	.			trans	44.8	95.4	170.1	-42.4	-173.5	0	0	0	116.3
3131	T	25.2	Very low	28.7	Very low	63 Å²	63	74.4 Å²	74.4	39%	0.387	44%	0.439	S	S	.	.			trans	-144.3	130	151.6	-11.1	0	0	0	0	112.9	T3133	T3131-T3133 PolarHBondContact O-N 3.06Å
3132	V	22.9	Very low	28.7	Very low	130 Å²	130	73.7 Å²	73.7	79%	0.788	43%	0.432	S	S	*	.	S	Bend	trans	-58.5	131.8	148.2	171	0	0	0	0	106.9
3133	T	32.4	Very low	28.7	Very low	77 Å²	77	75.4 Å²	75.4	47%	0.472	44%	0.438	S	S	.	.	S	Bend	trans	50	91.3	-179.2	56	0	0	0	0	115.1	T3131 T3135	T3131-T3133 PolarHBondContact O-N 3.06Å; T3133-T3135 PolarHBondContact O-N 3.37Å; T3133-T3135 PolarHBondContact O-OG1 3.43Å
3134	S	25.5	Very low	28.3	Very low	54 Å²	54	79 Å²	79	38%	0.378	46%	0.462	S	S	.	.				65.3	36.5	81.9	177.4	0	0	0	0	113.8	N3095 T3096 S3097	N3095-S3134 PolarHBondContact ND2-OG 3.48Å; T3096-S3134 CarbonylContact C-O 3.5Å; T3096-S3134 CarbonylContact O-C 2.97Å; T3096-S3134 VanDerWaalsContact O-C 3.31Å; T3096-S3134 PolarHBondContact O-OG 3.12Å; S3097-S3134 PolarHBondContact N-O 3.42Å; S3097-S3134 PolarHBondContact N-OG 3.03Å; S3097-S3134 CarbonylContact O-C 3.41Å; S3097-S3134 WeakPolarHBondContact O-CA 3.43Å; S3097-S3134 WeakPolarHBondContact O-CB 3.42Å; S3097-S3134 PolarHBondContact O-N 2.96Å; S3097-S3134 VanDerWaalsContact O-N 3.12Å
3135	T	28.5	Very low	28	Very low	18 Å²	18	80.8 Å²	80.8	11%	0.11	47%	0.472	C	S	.	.			trans	-155.7	135.8	167.7	22.1	0	0	0	0	114.7	L2295 S2296 T3096 S3097 S3098 T3133	L2295-T3135 HydrophobicContact CD2-CG2 3.41Å; L2295-T3135 VanDerWaalsContact CD2-CG2 3.41Å; L2295-T3135 HydrophobicContact CG-CG2 3.83Å; S2296-T3135 WeakPolarHBondContact CA-OG1 3.39Å; S2296-T3135 PolarHBondContact N-OG1 3.37Å; T3096-T3135 VanDerWaalsContact OG1-CA 3.22Å; T3096-T3135 WeakPolarHBondContact OG1-CA 3.23Å; T3096-T3135 WeakPolarHBondContact OG1-CB 3.34Å; T3096-T3135 WeakPolarHBondContact OG1-CG2 3.43Å; S3097-T3135 CarbonylContact C-O 3.32Å; S3097-T3135 PolarHBondContact O-N 2.85Å; S3098-T3135 WeakPolarHBondContact CA-O 2.99Å; S3098-T3135 PolarHBondContact N-O 3.09Å; T3133-T3135 PolarHBondContact O-N 3.37Å; T3133-T3135 PolarHBondContact O-OG1 3.43Å
3136	H	29.1	Very low	27.9	Very low	44 Å²	44	84.3 Å²	84.3	20%	0.204	49%	0.494	C	S	.	.			trans	-86.7	136.3	-146.7	-97.4	-56.6	0	0	0	119	T3096 S3097 Y3139	T3096-H3136 WeakPolarHBondContact CA-CD2 3.27Å; T3096-H3136 VanDerWaalsContact CB-CD2 3.43Å; T3096-H3136 WeakPolarHBondContact CB-CD2 3.3Å; T3096-H3136 VanDerWaalsContact CB-N 3.28Å; T3096-H3136 HydrophobicContact CG2-CB 3.73Å; T3096-H3136 PolarHBondContact OG1-N 3.38Å; S3097-H3136 WeakPolarHBondContact CA-ND1 3.35Å; S3097-H3136 WeakPolarHBondContact CB-CE1 3.4Å; S3097-H3136 WeakPolarHBondContact CB-ND1 3.44Å; S3097-H3136 PolarHBondContact OG-CD2 3.1Å; S3097-H3136 VanDerWaalsContact OG-CD2 3.3Å; S3097-H3136 PolarHBondContact OG-CE1 2.82Å; S3097-H3136 PolarHBondContact OG-NE2 2.95Å; H3136-Y3139 HydrophobicContact CB-CE2 3.91Å; H3136-Y3139 AromaticContact CD2-CE2 3.67Å; H3136-Y3139 AromaticContact CD2-CZ 3.71Å; H3136-Y3139 PolarHBondContact CD2-OH 3.43Å; H3136-Y3139 AromaticContact CE1-CE2 3.98Å; H3136-Y3139 AromaticContact CG-CE2 3.59Å; H3136-Y3139 AromaticContact ND1-CE2 3.8Å; H3136-Y3139 AromaticContact NE2-CE2 3.96Å; H3136-Y3139 AromaticContact NE2-CZ 3.88Å; H3136-Y3139 PolarHBondContact NE2-OH 3.07Å
3137	I	27.8	Very low	27.6	Very low	7 Å²	7	82.1 Å²	82.1	4%	0.036	49%	0.491	C	S	.	.				29.3	132.5	108	-52.1	-174.7	0	0	0	116.2	V2304 D2305 S3098 D3099 F3100 T3125 Y3139	V2304-I3137 CarbonylContact C-O 2.82Å; V2304-I3137 WeakPolarHBondContact CA-O 3.46Å; V2304-I3137 PolarHBondContact N-O 2.93Å; D2305-I3137 PolarHBondContact N-O 3.43Å; S3098-I3137 WeakPolarHBondContact O-CG1 3.41Å; S3098-I3137 PolarHBondContact O-N 3.3Å; D3099-I3137 HydrophobicContact CB-CG1 4.24Å; D3099-I3137 VanDerWaalsContact OD2-CD1 3.28Å; D3099-I3137 WeakPolarHBondContact OD2-CD1 3.28Å; F3100-I3137 HydrophobicContact CD2-CB 4.32Å; F3100-I3137 HydrophobicContact CD2-CG1 4.14Å; F3100-I3137 HydrophobicContact CD2-CG2 4.07Å; F3100-I3137 HydrophobicContact CE2-CB 3.98Å; F3100-I3137 HydrophobicContact CE2-CD1 4.2Å; F3100-I3137 HydrophobicContact CE2-CG1 3.85Å; F3100-I3137 HydrophobicContact CE2-CG2 3.33Å; F3100-I3137 HydrophobicContact CZ-CG2 3.97Å; T3125-I3137 VanDerWaalsContact OG1-CG2 3.23Å; T3125-I3137 WeakPolarHBondContact OG1-CG2 2.97Å; I3137-Y3139 HydrophobicContact CB-CD2 4.34Å; I3137-Y3139 HydrophobicContact CB-CE2 4.31Å; I3137-Y3139 HydrophobicContact CG2-CD2 4.03Å; I3137-Y3139 HydrophobicContact CG2-CE2 4.36Å; I3137-Y3139 VanDerWaalsContact O-CD2 3.3Å; I3137-Y3139 WeakPolarHBondContact O-CD2 3.28Å
3138	P	30.6	Very low	27.2	Very low	57 Å²	57	85.1 Å²	85.1	37%	0.37	50%	0.495	S	S	.	.			trans	-88.6	139.1	136.9	-0.8	0.1	0	0	0	107.2	A2303 V2304 T3125	A2303-P3138 CarbonylContact C-O 3.46Å; A2303-P3138 VanDerWaalsContact C-O 3.24Å; A2303-P3138 HydrophobicContact CB-CB 3.78Å; A2303-P3138 HydrophobicContact CB-CG 3.15Å; A2303-P3138 CarbonylContact O-C 3.52Å; A2303-P3138 WeakPolarHBondContact O-CA 3.04Å; A2303-P3138 WeakPolarHBondContact O-CB 3.22Å; A2303-P3138 WeakPolarHBondContact O-CD 3.2Å; A2303-P3138 VanDerWaalsContact O-CG 3.22Å; A2303-P3138 WeakPolarHBondContact O-CG 3.46Å; V2304-P3138 VanDerWaalsContact C-CB 3.46Å; V2304-P3138 HydrophobicContact CB-CB 3.29Å; V2304-P3138 HydrophobicContact CB-CG 3.17Å; V2304-P3138 HydrophobicContact CG1-CB 4.39Å; V2304-P3138 HydrophobicContact CG2-CB 4.4Å; V2304-P3138 HydrophobicContact CG2-CG 3.42Å; V2304-P3138 VanDerWaalsContact CG2-CG 3.42Å; T3125-P3138 PolarHBondContact OG1-O 2.75Å; T3125-P3138 VanDerWaalsContact OG1-O 3.12Å
3139	Y	25.2	Very low	27.1	Very low	21 Å²	21	84.9 Å²	84.9	8%	0.082	49%	0.493	C	S	.	.			cis	65.2	144.2	41.1	-63.2	-113.9	0	0	0	111.3	V2304 D2305 T3122 A3123 T3125 H3136 I3137 M3142	V2304-Y3139 VanDerWaalsContact O-CB 3.27Å; V2304-Y3139 WeakPolarHBondContact O-CB 3.31Å; D2305-Y3139 VanDerWaalsContact C-CD1 3.46Å; D2305-Y3139 VanDerWaalsContact C-CE1 3.45Å; D2305-Y3139 WeakPolarHBondContact O-CD1 3.41Å; D2305-Y3139 WeakPolarHBondContact O-CE1 3.38Å; T3122-Y3139 WeakPolarHBondContact O-CD1 3.34Å; T3122-Y3139 VanDerWaalsContact O-CE1 3.23Å; T3122-Y3139 WeakPolarHBondContact O-CE1 3.14Å; A3123-Y3139 WeakPolarHBondContact O-CD1 3.33Å; A3123-Y3139 WeakPolarHBondContact O-CD2 3.15Å; A3123-Y3139 WeakPolarHBondContact O-CE1 3.01Å; T3125-Y3139 PolarHBondContact OG1-N 2.65Å; H3136-Y3139 HydrophobicContact CB-CE2 3.91Å; H3136-Y3139 AromaticContact CD2-CE2 3.67Å; H3136-Y3139 AromaticContact CD2-CZ 3.71Å; H3136-Y3139 PolarHBondContact CD2-OH 3.43Å; H3136-Y3139 AromaticContact CE1-CE2 3.98Å; H3136-Y3139 AromaticContact CG-CE2 3.59Å; H3136-Y3139 AromaticContact ND1-CE2 3.8Å; H3136-Y3139 AromaticContact NE2-CE2 3.96Å; H3136-Y3139 AromaticContact NE2-CZ 3.88Å; H3136-Y3139 PolarHBondContact NE2-OH 3.07Å; I3137-Y3139 HydrophobicContact CB-CD2 4.34Å; I3137-Y3139 HydrophobicContact CB-CE2 4.31Å; I3137-Y3139 HydrophobicContact CG2-CD2 4.03Å; I3137-Y3139 HydrophobicContact CG2-CE2 4.36Å; I3137-Y3139 VanDerWaalsContact O-CD2 3.3Å; I3137-Y3139 WeakPolarHBondContact O-CD2 3.28Å; Y3139-M3142 HydrophobicContact CE1-CE 3.86Å
3140	P	33.5	Very low	26.9	Very low	108 Å²	108	85.5 Å²	85.5	70%	0.701	50%	0.497	S	S	*	.			cis	-147	176.7	39.1	42.2	-21.4	0	0	0	119.2	T3122 A3123	T3122-P3140 HydrophobicContact CG2-CB 4.44Å; A3123-P3140 VanDerWaalsContact CB-CA 3.44Å; A3123-P3140 WeakPolarHBondContact CB-O 3.36Å
3141	G	31.3	Very low	27.1	Very low	57 Å²	57	88.2 Å²	88.2	59%	0.588	50%	0.498	S	S	*	.	S	Bend	trans	91.2	88.9	-171.8	0	0	0	0	0	119.9	A3123	A3123-G3141 WeakPolarHBondContact CA-O 3.07Å; A3123-G3141 WeakPolarHBondContact CB-O 3.3Å; A3123-G3141 VanDerWaalsContact N-C 3.34Å
3142	M	28.9	Very low	27.3	Very low	60 Å²	60	91.1 Å²	91.1	30%	0.296	51%	0.51	S	S	.	.			trans	-100.4	171.3	-168.3	-124.5	-178.3	-154.1	0	0	117.5	T3121 T3122 N3124 Y3139	T3121-M3142 PolarHBondContact O-N 3.03Å; T3122-M3142 VanDerWaalsContact C-N 3.34Å; T3122-M3142 VanDerWaalsContact CA-N 3.33Å; T3122-M3142 WeakPolarHBondContact O-CB 3.22Å; T3122-M3142 WeakPolarHBondContact O-CG 2.98Å; N3124-M3142 WeakPolarHBondContact OD1-CG 3.45Å; Y3139-M3142 HydrophobicContact CE1-CE 3.86Å
3143	L	26.1	Very low	27.6	Very low	99 Å²	99	89.2 Å²	89.2	52%	0.518	50%	0.503	S	S	.	.			trans	61.4	118.8	140.2	-80	161.2	0	0	0	117.7	T3121	T3121-L3143 HydrophobicContact CG2-CB 3.98Å; T3121-L3143 HydrophobicContact CG2-CD1 3.51Å; T3121-L3143 HydrophobicContact CG2-CG 4.39Å
3144	S	23.8	Very low	27.2	Very low	82 Å²	82	93.1 Å²	93.1	57%	0.573	52%	0.521	S	S	*	.			trans	71.8	133	130.2	76.2	0	0	0	0	119.2
3145	N	22.1	Very low	27.4	Very low	155 Å²	155	96.6 Å²	96.6	83%	0.829	53%	0.534	S	S	*	.			trans	58.2	63.2	137	-57.9	-1.1	0	0	0	117.7
3146	T	23.4	Very low	27.4	Very low	133 Å²	133	102.6 Å²	102.6	82%	0.816	57%	0.565	S	S	*	*			trans	-160.4	157.5	132	7.9	0	0	0	0	111.5
3147	C	26.8	Very low	27.3	Very low	111 Å²	111	105.6 Å²	105.6	75%	0.75	59%	0.592	S	S	*	*			trans	49.3	99.6	166.3	-59.5	0	0	0	0	116.3
3148	R	22.5	Very low	27.4	Very low	137 Å²	137	110.2 Å²	110.2	52%	0.517	62%	0.624	S	S	.	*				31.3	85.9	61.8	-172.9	-172.3	-88.8	156.2	-2.8	113.2
3149	N	29.5	Very low	27.4	Very low	106 Å²	106	115 Å²	115	57%	0.567	65%	0.645	S	S	*	*			trans	175.4	120	135.9	-86.9	-47.3	0	0	0	106.1
3150	N	24	Very low	27.5	Very low	131 Å²	131	116.8 Å²	116.8	70%	0.701	67%	0.67	S	S	*	*				44.5	73.5	57.3	-82.8	13.3	0	0	0	113.6
3151	R	30.5	Very low	27.2	Very low	203 Å²	203	120.6 Å²	120.6	77%	0.766	67%	0.67	S	S	*	*			trans	-146.3	125.8	132.1	-104.3	144.9	-173.3	-145.9	-4.7	108.3
3152	N	29	Very low	26.9	Very low	123 Å²	123	123.9 Å²	123.9	66%	0.658	67%	0.674	S	S	*	*			cis	66	135.2	45.7	-56.3	26.7	0	0	0	111.7
3153	S	28.2	Very low	26.7	Very low	91 Å²	91	125.2 Å²	125.2	64%	0.636	69%	0.689	S	S	*	*			cis	-175.2	140.1	-9.7	44.5	0	0	0	0	109.9
3154	D	24.9	Very low	26.7	Very low	158 Å²	158	128 Å²	128	85%	0.845	70%	0.7	S	S	*	*	S	Bend	trans	-127.7	125.6	144.7	-82.5	-47.8	0	0	0	106.2
3155	I	30.3	Very low	26.9	Very low	128 Å²	128	132.5 Å²	132.5	66%	0.656	71%	0.711	S	S	*	*	S	Bend	cis	-142.4	134.7	-1.4	-85.7	151.9	0	0	0	108.1
3156	N	27.3	Very low	27.2	Very low	143 Å²	143	132 Å²	132	77%	0.765	71%	0.708	S	S	*	*			trans	60.4	150.3	171.4	-60.2	-23.4	0	0	0	117.7
3157	S	28.1	Very low	27.3	Very low	108 Å²	108	133.4 Å²	133.4	76%	0.755	71%	0.709	S	S	*	*			cis	-169	144.3	-30	49.2	0	0	0	0	105.6
3158	S	29.6	Very low	27.4	Very low	103 Å²	103	134.5 Å²	134.5	72%	0.72	71%	0.707	S	S	*	*			cis	-158	167.7	9.8	54	0	0	0	0	111.6
3159	I	30.9	Very low	27.7	Very low	158 Å²	158	131.9 Å²	131.9	81%	0.81	71%	0.707	S	S	*	*			trans	23.7	120	147.3	-52	158.9	0	0	0	117.7
3160	G	26.5	Very low	27.8	Very low	58 Å²	58	128.2 Å²	128.2	60%	0.598	69%	0.69	S	S	*	*			cis	91.7	80.6	-8.1	0	0	0	0	0	117.3
3161	R	27.8	Very low	28	Very low	188 Å²	188	126.7 Å²	126.7	71%	0.709	68%	0.681	S	S	*	*			trans	-177.4	141.3	130.7	-104.5	166.9	179.6	-158.8	-6.2	114.9
3162	L	24.9	Very low	27.8	Very low	126 Å²	126	123.1 Å²	123.1	66%	0.66	68%	0.682	S	S	*	*			trans	-109.8	150.4	159.7	-44.9	91.1	0	0	0	108.9
3163	S	25.4	Very low	27.6	Very low	88 Å²	88	122.5 Å²	122.5	62%	0.615	68%	0.683	S	S	*	*				172.6	125.9	127.5	55.5	0	0	0	0	115
3164	Q	26	Very low	27.5	Very low	159 Å²	159	122.8 Å²	122.8	74%	0.743	68%	0.677	S	S	*	*			trans	55.1	109.5	138.3	-67.5	163.6	-88.5	0	0	120.6
3165	H	27.5	Very low	28	Very low	176 Å²	176	119 Å²	119	82%	0.815	66%	0.661	S	S	*	*				-143.1	146	129.4	-81	46	0	0	0	105
3166	D	27.9	Very low	27.9	Very low	143 Å²	143	120.9 Å²	120.9	77%	0.765	67%	0.665	S	S	*	*			cis	-145.1	-124.1	-21.8	-82.7	-43.9	0	0	0	108.6
3167	I	26.6	Very low	28.2	Very low	163 Å²	163	117.3 Å²	117.3	84%	0.836	65%	0.651	S	S	*	*			trans	-142.1	125.3	-177.7	-59.3	174.7	0	0	0	111.1
3168	L	29.1	Very low	28.3	Very low	135 Å²	135	117.5 Å²	117.5	71%	0.707	65%	0.648	S	S	*	*			trans	-167.8	129.6	161.5	-106.3	161.1	0	0	0	110.6
3169	P	28.2	Very low	28.1	Very low	81 Å²	81	121 Å²	121	53%	0.526	66%	0.656	S	S	.	*			trans	-100.9	-170.3	179.2	43.9	-38.1	0	0	0	111.4
3170	P	30.6	Very low	27.8	Very low	30 Å²	30	118 Å²	118	20%	0.195	65%	0.645	C	S	.	*			cis	-127.5	-157	-5.1	38.2	-17.5	0	0	0	112.7
3171	D	29	Very low	27.7	Very low	99 Å²	99	120.3 Å²	120.3	53%	0.529	64%	0.644	S	S	.	*			trans	62.4	99	160	-53.6	-20	0	0	0	116.7
3172	T	26.1	Very low	27.6	Very low	127 Å²	127	113.8 Å²	113.8	78%	0.779	63%	0.625	S	S	*	*				63.7	132.4	77	67.3	0	0	0	0	113.7
3173	T	25.8	Very low	27.5	Very low	111 Å²	111	115.8 Å²	115.8	68%	0.681	63%	0.625	S	S	*	*			cis	-128.1	165.5	15.7	48.1	0	0	0	0	112.8
3174	L	24.2	Very low	27.6	Very low	96 Å²	96	117.7 Å²	117.7	50%	0.503	62%	0.624	S	S	.	*			trans	70.3	148.2	173.9	-31.6	173.9	0	0	0	112.8	T3182 Y3183	L3174-T3182 WeakPolarHBondContact CB-O 2.87Å; L3174-T3182 VanDerWaalsContact CD2-CB 3.45Å; L3174-T3182 HydrophobicContact CD2-CG2 3.43Å; L3174-T3182 VanDerWaalsContact CD2-CG2 3.43Å; L3174-Y3183 WeakPolarHBondContact CB-O 3.2Å
3175	P	37.3	Very low	27.8	Very low	80 Å²	80	114.7 Å²	114.7	52%	0.519	62%	0.618	S	S	.	*			cis	-104.5	178.8	-18.5	39.7	-31	0	0	0	113.1	T3182 H3184	P3175-T3182 WeakPolarHBondContact CA-O 3.49Å; P3175-T3182 VanDerWaalsContact CB-O 3.28Å; P3175-T3182 WeakPolarHBondContact CB-O 3.22Å; P3175-H3184 WeakPolarHBondContact CD-O 3.32Å; P3175-H3184 WeakPolarHBondContact CG-O 3.27Å
3176	F	27.3	Very low	27.9	Very low	167 Å²	167	114.2 Å²	114.2	73%	0.732	61%	0.614	S	S	*	*			cis	46.3	130.9	-20.5	-75.4	-96	0	0	0	121.7	D3181 T3182	F3176-D3181 CarbonylContact C-O 3.52Å; F3176-T3182 VanDerWaalsContact CB-OG1 3.23Å; F3176-T3182 WeakPolarHBondContact CB-OG1 2.42Å; F3176-T3182 CarbonylContact O-C 3.33Å; F3176-T3182 PolarHBondContact O-OG1 2.89Å
3177	S	33.6	Very low	27.9	Very low	67 Å²	67	114.6 Å²	114.6	47%	0.469	62%	0.616	S	S	.	*			trans	162.7	150.2	158.3	30.1	0	0	0	0	110.6	D3181	S3177-D3181 WeakPolarHBondContact CA-O 3.1Å; S3177-D3181 WeakPolarHBondContact CB-O 3.23Å; S3177-D3181 PolarHBondContact N-O 2.89Å; S3177-D3181 VanDerWaalsContact N-O 3.1Å
3178	T	30.6	Very low	27.9	Very low	113 Å²	113	111.1 Å²	111.1	69%	0.693	61%	0.611	S	S	*	*	S	Bend	cis	-161.4	126.2	-17.2	22.2	0	0	0	0	104.7
3179	I	25	Very low	28	Very low	175 Å²	175	110 Å²	110	90%	0.897	61%	0.61	S	S	*	*	S	Bend	cis	-55	124.3	-3.9	-53.3	155.4	0	0	0	110.4
3180	V	24.9	Very low	27.9	Very low	95 Å²	95	115.9 Å²	115.9	58%	0.576	62%	0.623	S	S	*	*	S	Bend	cis	-120.4	142.5	4.3	-168.8	0	0	0	0	109
3181	D	23.8	Very low	27.9	Very low	108 Å²	108	120.8 Å²	120.8	58%	0.578	65%	0.648	S	S	*	*			trans	55.7	148.5	162.4	-97.6	-50.6	0	0	0	122.3	F3176 S3177	F3176-D3181 CarbonylContact C-O 3.52Å; S3177-D3181 WeakPolarHBondContact CA-O 3.1Å; S3177-D3181 WeakPolarHBondContact CB-O 3.23Å; S3177-D3181 PolarHBondContact N-O 2.89Å; S3177-D3181 VanDerWaalsContact N-O 3.1Å
3182	T	25.8	Very low	27.9	Very low	50 Å²	50	120.5 Å²	120.5	31%	0.307	65%	0.653	S	S	.	*			trans	77	55.7	147.4	58.4	0	0	0	0	124.9	L3174 P3175 F3176	L3174-T3182 WeakPolarHBondContact CB-O 2.87Å; L3174-T3182 VanDerWaalsContact CD2-CB 3.45Å; L3174-T3182 HydrophobicContact CD2-CG2 3.43Å; L3174-T3182 VanDerWaalsContact CD2-CG2 3.43Å; P3175-T3182 WeakPolarHBondContact CA-O 3.49Å; P3175-T3182 VanDerWaalsContact CB-O 3.28Å; P3175-T3182 WeakPolarHBondContact CB-O 3.22Å; F3176-T3182 VanDerWaalsContact CB-OG1 3.23Å; F3176-T3182 WeakPolarHBondContact CB-OG1 2.42Å; F3176-T3182 CarbonylContact O-C 3.33Å; F3176-T3182 PolarHBondContact O-OG1 2.89Å
3183	Y	22.9	Very low	27.8	Very low	168 Å²	168	120.4 Å²	120.4	66%	0.659	65%	0.648	S	S	*	*			trans	45.2	112.5	134.4	-98.2	-117.9	0	0	0	123.3	L3174	L3174-Y3183 WeakPolarHBondContact CB-O 3.2Å
3184	H	27	Very low	27.8	Very low	129 Å²	129	122.3 Å²	122.3	60%	0.597	65%	0.654	S	S	*	*				61.7	-169.2	126.9	-78	-58.9	0	0	0	120.8	P3175	P3175-H3184 WeakPolarHBondContact CD-O 3.32Å; P3175-H3184 WeakPolarHBondContact CG-O 3.27Å
3185	P	31.7	Very low	27.8	Very low	96 Å²	96	123.4 Å²	123.4	62%	0.623	66%	0.66	S	S	*	*				-133.9	160.9	-65.9	38.7	-25.3	0	0	0	116.6
3186	K	29.3	Very low	27.1	Very low	166 Å²	166	125.7 Å²	125.7	72%	0.722	67%	0.668	S	S	*	*			trans	171.9	158.7	131.4	-99.7	163.3	-179.9	169.4	0	112.5	S2328	S2328-K3186 PolarHBondContact OG-NZ 3.23Å
3187	N	28.2	Very low	26.8	Very low	151 Å²	151	127.2 Å²	127.2	81%	0.807	67%	0.671	S	S	*	*				-165	166.5	-63.5	-130.3	-1	0	0	0	109
3188	A	26.2	Very low	26.2	Very low	89 Å²	89	133.2 Å²	133.2	74%	0.736	68%	0.684	S	S	*	*			trans	70.8	154	173.8	0	0	0	0	0	115.7
3189	V	30	Very low	25.8	Very low	112 Å²	112	136.6 Å²	136.6	68%	0.679	69%	0.686	S	S	*	*			cis	-137.2	155	18.6	-155.9	0	0	0	0	112.2
3190	Y	26.9	Very low	25.6	Very low	204 Å²	204	136.7 Å²	136.7	80%	0.8	68%	0.676	S	S	*	*			trans	76.1	129.8	170.2	-60.5	-72	0	0	0	117.6
3191	N	29.4	Very low	25.5	Very low	133 Å²	133	140 Å²	140	71%	0.711	69%	0.685	S	S	*	*			cis	-161.5	157.3	-14.9	-148.8	21.5	0	0	0	112.1
3192	S	29.7	Very low	25.5	Very low	93 Å²	93	140 Å²	140	65%	0.65	69%	0.692	S	S	*	*			trans	34.4	118.5	156.7	56.4	0	0	0	0	119.1
3193	N	23.5	Very low	25.5	Very low	126 Å²	126	142 Å²	142	67%	0.674	71%	0.708	S	S	*	*			cis	63.4	111.3	29.6	-143.4	93	0	0	0	116.4	D3195	N3193-D3195 PolarHBondContact ND2-OD2 3.35Å
3194	N	27	Very low	25.7	Very low	150 Å²	150	140.4 Å²	140.4	80%	0.802	71%	0.711	S	S	*	*			trans	175.3	116.4	146.1	-91.2	3.1	0	0	0	105.1
3195	D	24.1	Very low	25.8	Very low	119 Å²	119	140.4 Å²	140.4	64%	0.636	72%	0.715	S	S	*	*				65.3	118.4	55.7	-71.5	-60.9	0	0	0	115.1	N3193	N3193-D3195 PolarHBondContact ND2-OD2 3.35Å
3196	N	22.1	Very low	25.8	Very low	128 Å²	128	143.4 Å²	143.4	68%	0.684	72%	0.721	S	S	*	*			trans	9.8	126.8	156.1	-58.3	-66.4	0	0	0	119.3
3197	Y	21.2	Very low	25.7	Very low	199 Å²	199	141 Å²	141	78%	0.78	72%	0.716	S	S	*	*				174.5	137.5	101.4	-99.3	-67.1	0	0	0	114.5
3198	Y	20.2	Very low	25.7	Very low	193 Å²	193	138.6 Å²	138.6	76%	0.757	70%	0.703	S	S	*	*			trans	64	144.8	154.3	-74.3	-66.1	0	0	0	123.7
3199	Y	22.2	Very low	25.9	Very low	184 Å²	184	142.4 Å²	142.4	72%	0.722	71%	0.71	S	S	*	*			trans	99.3	129.4	139.9	-88.3	-55.6	0	0	0	123.5
3200	Y	22.1	Very low	25.8	Very low	177 Å²	177	142.1 Å²	142.1	69%	0.694	71%	0.714	S	S	*	*			trans	70.3	99.7	154.6	-69.9	-65.7	0	0	0	123
3201	H	22.6	Very low	25.9	Very low	166 Å²	166	140 Å²	140	77%	0.769	72%	0.715	S	S	*	*				62.7	133.5	116.5	-89.7	-102.6	0	0	0	124
3202	C	23.4	Very low	25.9	Very low	106 Å²	106	139.9 Å²	139.9	72%	0.716	71%	0.714	S	S	*	*			trans	83.7	117.7	141.1	-70.2	0	0	0	0	122.8
3203	S	26.1	Very low	25.9	Very low	93 Å²	93	140.7 Å²	140.7	65%	0.65	71%	0.711	S	S	*	*				98.1	97.5	126.1	-71.9	0	0	0	0	123.4
3204	D	26.4	Very low	26	Very low	134 Å²	134	135.4 Å²	135.4	72%	0.717	68%	0.684	S	S	*	*				79.8	130.6	112.2	-48.3	-34.1	0	0	0	124.8
3205	N	29.1	Very low	26.5	Very low	130 Å²	130	130.7 Å²	130.7	70%	0.695	66%	0.661	S	S	*	*			trans	95.5	112.3	138.7	-75.6	-38.6	0	0	0	124.8
3206	Q	32.5	Very low	26.7	Very low	159 Å²	159	130.5 Å²	130.5	74%	0.743	66%	0.664	S	S	*	*				80.7	108.7	125.3	-64.9	170.7	19	0	0	123.2
3207	N	26.5	Very low	27	Very low	114 Å²	114	128.1 Å²	128.1	61%	0.61	65%	0.654	S	S	*	*				38.2	143.2	96.7	-69.1	13.4	0	0	0	118.9
3208	N	27.9	Very low	27.2	Very low	101 Å²	101	126.8 Å²	126.8	54%	0.54	66%	0.657	S	S	.	*			cis	-161.6	163.5	11.2	-98.6	-1	0	0	0	111.1
3209	L	30.8	Very low	27.7	Very low	169 Å²	169	126.5 Å²	126.5	89%	0.885	66%	0.663	S	S	*	*				160.1	157.5	129.5	-90.7	152.5	0	0	0	114.7
3210	S	28.4	Very low	27.9	Very low	107 Å²	107	122.6 Å²	122.6	75%	0.748	66%	0.662	S	S	*	*			trans	-148.1	160.5	-171.7	53.9	0	0	0	0	112.9
3211	L	29	Very low	28	Very low	158 Å²	158	119.7 Å²	119.7	83%	0.827	67%	0.668	S	S	*	*			trans	-162.4	123.2	178.5	-144.8	94	0	0	0	114.4
3212	L	29.8	Very low	28.1	Very low	132 Å²	132	117.6 Å²	117.6	69%	0.691	67%	0.672	S	S	*	*			trans	51.1	165.2	152.5	-69.1	164.1	0	0	0	119.8
3213	D	29.9	Very low	28.3	Very low	110 Å²	110	120.1 Å²	120.1	59%	0.588	68%	0.677	S	S	*	*			cis	-143.8	-174.3	5.4	-148.5	-38.1	0	0	0	111.5
3214	S	25.5	Very low	28.4	Very low	15 Å²	15	122.2 Å²	122.2	11%	0.105	69%	0.686	C	S	.	*			trans	-128.4	-141.9	-131.2	-149.5	0	0	0	0	116.9
3215	P	36.4	Very low	28.5	Very low	50 Å²	50	117.6 Å²	117.6	33%	0.325	67%	0.67	S	S	.	*			trans	-61.7	-170.5	-147.6	2.7	-3.1	0	0	0	128.5	V3217	P3215-V3217 HydrophobicContact CB-CG2 3.97Å
3216	V	29.4	Very low	28.4	Very low	116 Å²	116	122.2 Å²	122.2	70%	0.703	68%	0.678	S	S	*	*				-162	145.1	129.4	152.8	0	0	0	0	106.2
3217	V	28.2	Very low	28.1	Very low	78 Å²	78	118.6 Å²	118.6	47%	0.473	67%	0.667	S	S	.	*			cis	114.3	123.5	-2	168.4	0	0	0	0	115.2	P3215	P3215-V3217 HydrophobicContact CB-CG2 3.97Å
3218	M	25.8	Very low	28.2	Very low	170 Å²	170	119 Å²	119	84%	0.837	68%	0.675	S	S	*	*			cis	-174.3	134.1	-17.4	176.4	-179.4	178.3	0	0	110.3
3219	Q	28.9	Very low	28.3	Very low	188 Å²	188	121 Å²	121	88%	0.879	69%	0.686	S	S	*	*			trans	-164.3	151.5	162.2	-105.1	169.8	58.1	0	0	109.3
3220	S	27.3	Very low	28.4	Very low	102 Å²	102	118.8 Å²	118.8	71%	0.713	68%	0.675	S	S	*	*			cis	174.7	146.6	-21.5	47.2	0	0	0	0	105.6
3221	S	24.5	Very low	28.6	Very low	116 Å²	116	118.9 Å²	118.9	81%	0.811	67%	0.667	S	S	*	*			trans	-108.8	140.7	-159.4	45.3	0	0	0	0	116.1
3222	S	24.2	Very low	28.9	Very low	122 Å²	122	114.6 Å²	114.6	85%	0.853	65%	0.647	S	S	*	*			trans	-165.4	60.3	167.6	-79.5	0	0	0	0	114.4
3223	L	28.2	Very low	29.2	Very low	158 Å²	158	115.3 Å²	115.3	83%	0.827	65%	0.651	S	S	*	*			trans	-161.4	111.6	162.9	-116.2	159.1	0	0	0	111.2	G3225	L3223-G3225 VanDerWaalsContact C-N 3.29Å
3224	V	28.1	Very low	29.3	Very low	137 Å²	137	119.4 Å²	119.4	83%	0.83	66%	0.659	S	S	*	*			trans	-99.8	64.2	159.4	-174.8	0	0	0	0	106.7
3225	G	27.5	Very low	29.4	Very low	37 Å²	37	122.9 Å²	122.9	38%	0.381	68%	0.679	S	S	.	*			trans	-84	112.2	174.6	0	0	0	0	0	108.5	L3223 T3227	L3223-G3225 VanDerWaalsContact C-N 3.29Å; G3225-T3227 PolarHBondContact O-N 3.12Å
3226	W	27.9	Very low	29	Very low	227 Å²	227	122.3 Å²	122.3	86%	0.86	68%	0.683	S	S	*	*			trans	-64.1	119.1	179.7	-72.5	47.7	0	0	0	109.6
3227	T	27.1	Very low	29	Very low	84 Å²	84	125 Å²	125	52%	0.515	69%	0.687	S	S	.	*			trans	-120.1	154.4	172.4	67.6	0	0	0	0	110.9	G3225 N3229 D3230	G3225-T3227 PolarHBondContact O-N 3.12Å; T3227-N3229 PolarHBondContact O-N 3.23Å; T3227-D3230 PolarHBondContact N-OD2 2.97Å; T3227-D3230 PolarHBondContact O-N 3.16Å; T3227-D3230 VanDerWaalsContact O-N 3.09Å; T3227-D3230 PolarHBondContact OG1-OD2 2.76Å; T3227-D3230 VanDerWaalsContact OG1-OD2 3.1Å
3228	P	28.3	Very low	29.1	Very low	121 Å²	121	130.5 Å²	130.5	79%	0.786	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	5.7	-161	-22.6	36.2	0	0	0	117.3
3229	N	30.3	Very low	29.2	Very low	145 Å²	145	126.5 Å²	126.5	78%	0.775	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	-2	174.9	-71.7	9.1	0	0	0	113.4	T3227 L3231	T3227-N3229 PolarHBondContact O-N 3.23Å; N3229-L3231 CarbonylContact C-O 3.39Å
3230	D	31.7	Very low	29.3	Very low	121 Å²	121	126.7 Å²	126.7	65%	0.647	69%	0.691	S	S	*	*	S	Bend	trans	-79.5	-7	171.4	-63.5	-59	0	0	0	112.2	T3227	T3227-D3230 PolarHBondContact N-OD2 2.97Å; T3227-D3230 PolarHBondContact O-N 3.16Å; T3227-D3230 VanDerWaalsContact O-N 3.09Å; T3227-D3230 PolarHBondContact OG1-OD2 2.76Å; T3227-D3230 VanDerWaalsContact OG1-OD2 3.1Å
3231	L	32.7	Very low	29.3	Very low	110 Å²	110	127.3 Å²	127.3	58%	0.576	69%	0.691	S	S	*	*	S	Bend	trans	-91.2	136.9	157.2	-74.4	164.1	0	0	0	108.3	N3229	N3229-L3231 CarbonylContact C-O 3.39Å
3232	V	35.4	Very low	29.5	Very low	68 Å²	68	127.3 Å²	127.3	41%	0.412	69%	0.688	S	S	.	*			trans	68.3	49.5	-170.9	-153	0	0	0	0	114.6	R3234	V3232-R3234 PolarHBondContact O-N 3.33Å
3233	N	36.9	Very low	29.4	Very low	146 Å²	146	130.8 Å²	130.8	78%	0.781	68%	0.684	S	S	*	*	S	Bend		-83.4	71.1	120.5	-166.8	10	0	0	0	108.6
3234	R	32	Very low	29.2	Very low	196 Å²	196	127.8 Å²	127.8	74%	0.74	67%	0.665	S	S	*	*	S	Bend	trans	51.5	99.8	177.3	-47	-175.2	-177	-170.1	-2.4	115	V3232	V3232-R3234 PolarHBondContact O-N 3.33Å
3235	T	26.8	Very low	29.3	Very low	88 Å²	88	122.9 Å²	122.9	54%	0.54	64%	0.636	S	S	.	*			cis	-145.1	170.4	13.3	41.9	0	0	0	0	110
3236	G	28.6	Very low	29.3	Very low	39 Å²	39	124.8 Å²	124.8	40%	0.402	64%	0.636	S	S	.	*			trans	155.7	69.5	175.6	0	0	0	0	0	116.6
3237	H	29.3	Very low	29.5	Very low	172 Å²	172	118.3 Å²	118.3	80%	0.796	62%	0.623	S	S	*	*			trans	-100.6	124.6	156.8	-80.1	-62.3	0	0	0	109.4	T3239	H3237-T3239 PolarHBondContact O-N 2.92Å
3238	F	30.7	Very low	29.6	Very low	194 Å²	194	120.9 Å²	120.9	85%	0.851	64%	0.639	S	S	*	*			trans	-77.5	115.1	165.9	-85.9	-95.1	0	0	0	109	Q3240	F3238-Q3240 PolarHBondContact O-N 2.97Å
3239	T	27.4	Very low	29.6	Very low	85 Å²	85	120.9 Å²	120.9	52%	0.521	63%	0.632	S	S	.	*			trans	-72.4	116.2	169.2	-5.3	0	0	0	0	109.8	H3237 V3241	H3237-T3239 PolarHBondContact O-N 2.92Å; T3239-V3241 VanDerWaalsContact C-N 3.31Å; T3239-V3241 PolarHBondContact O-N 2.77Å; T3239-V3241 VanDerWaalsContact O-N 3.1Å
3240	Q	30.2	Very low	29.6	Very low	193 Å²	193	119.6 Å²	119.6	90%	0.902	62%	0.624	S	S	*	*			trans	-74.8	90.5	158.4	-77.7	-171.7	-35.4	0	0	107.9	F3238 P3242	F3238-Q3240 PolarHBondContact O-N 2.97Å; Q3240-P3242 WeakPolarHBondContact O-CD 3.35Å
3241	V	27.9	Very low	29.5	Very low	115 Å²	115	119.5 Å²	119.5	70%	0.697	62%	0.623	S	S	*	*			trans	-67.7	132.4	-178.4	-164.8	0	0	0	0	110.1	T3239	T3239-V3241 VanDerWaalsContact C-N 3.31Å; T3239-V3241 PolarHBondContact O-N 2.77Å; T3239-V3241 VanDerWaalsContact O-N 3.1Å
3242	P	27.8	Very low	29.3	Very low	116 Å²	116	120.1 Å²	120.1	75%	0.753	63%	0.625	S	S	*	*				-143.6	107.9	115.9	33.7	-17.1	0	0	0	112.8	Q3240	Q3240-P3242 WeakPolarHBondContact O-CD 3.35Å
3243	Y	22.1	Very low	28.9	Very low	195 Å²	195	123.3 Å²	123.3	77%	0.765	64%	0.639	S	S	*	*	S	Bend	trans	61.2	140.3	-179.5	-87.1	-156.7	0	0	0	115
3244	H	25.4	Very low	28.4	Very low	94 Å²	94	121.8 Å²	121.8	44%	0.435	63%	0.629	S	S	.	*			cis	-140.1	148.6	-6.3	-118.5	-35.2	0	0	0	105.7
3245	P	29.8	Very low	28.1	Very low	34 Å²	34	116.5 Å²	116.5	22%	0.221	62%	0.621	C	S	.	*			cis	-148.6	-101.9	23.8	37.4	-11.6	0	0	0	117.4	E2394	E2394-P3245 WeakPolarHBondContact OE1-CG 3.13Å
3246	M	27	Very low	28.2	Very low	77 Å²	77	118.7 Å²	118.7	38%	0.379	63%	0.628	S	S	.	*			trans	-169.1	153.8	-158.8	-61.9	-174.5	-61.8	0	0	109.2
3247	P	32.9	Very low	28.2	Very low	91 Å²	91	125.3 Å²	125.3	59%	0.591	65%	0.647	S	S	*	*			trans	-74.1	155.5	-161.5	28.3	-38.2	0	0	0	118.6	E2394	E2394-P3247 HydrophobicContact CB-CB 4.27Å; E2394-P3247 WeakPolarHBondContact OE2-CA 3.16Å
3248	T	27.6	Very low	28.1	Very low	138 Å²	138	121.1 Å²	121.1	85%	0.847	63%	0.633	S	S	*	*			trans	-112.1	0	170.6	-8.6	0	0	0	0	111.8	P2392 E2393 E2394	P2392-T3248 HydrophobicContact CG-CG2 4.31Å; E2393-T3248 PolarHBondContact O-OG1 2.81Å; E2394-T3248 WeakPolarHBondContact CG-OG1 3.36Å

Retrieved 3,248 of 3,248 residues in 2736.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).