A0A5K4FB84_SCHMA Loading...

AAA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FB84, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,308 aa.

						>A0A5K4FB84_SCHMA|A0A5K4FB84
MKLSNSQDKSSQNKKRQSLFKTSELGKTINRINSLPINIQDHGDHWKRITDLAEQSNPSITMHQPTLRRSSEISETSGKYDSQSVSQQSRKTRPSYSSEKTVKESEELTIEVEEESKVFDRYTEFGGIKSQETVKVEDEEGDKNLLFKTQFNKRQDQTELILHTNRSIRKQISCIKDHPKPQPFPDRQLYIYVIADPTDMRIELTNLRMYVWPYLQRICNERGFTLNIIDDNMDTDIEPRNQLMTPIMNTSCDSIDDYELKEHLSRRMKQKNFLNCLILLSNRSVGPIVQLPQYLPNNLIKQIKNNALEEIEDIKSEITMLSEKLPGFDSPRLQRRLSKYLGSQTSLGSLSEEVTMKQSNMSPVSDAIPNRRNTLKFSNVTPIQMTQIEDSIRQKSEIIRTLNPDILDKWYCPTSDSHPDISYLQPVSQVLPGITCFDDQNIRQAELKSWLNDSHRIRCLLMRFSDQSQIISSSATSYRLSDMEIPTPNTERSQSNTDSIPNSNRQTDMTDRSSYVKEKYNFQSEVERQIELVLQNNELNSDCFVHIRYHQDNKIPSKKSTNINDPSITSWRSRSLSLASWSTTRTNVNTMNSSSSSSIKNEFLSSAFDESLARAKLLVNWARLKVPANNQSHYELEKSALITLNDQIHCTQSYLDPINYQEHAIYLDDLCRNIRNKFSQSLIEEMNRRYTNEMENRINKQVNYLYHWCLEYEISAHLEMMERLSSMYIAREELLMELYNSIIKHTINCQENNGTNRNYFKFIQIKGESGSGKSVLLASLAKRLLAESMKVNTSIVNPRVIYRMIGSSTMSLNLLNLLSYLCIELSTRMNNSSIPDTYDGLRTALHTAIVEATYEQSSQQPLIIILDGIENIEECKQRKENFPISWIPFSWIKYKPILNCPVIFIISTINNPDEIAYFNKIFQNNINHFIFSDKHHTTAKQISSTNTYRQILLNELDFNDMNKCIKVWLSQIQFINHYDTVLSMIKTVNKLFQPLQLKIIIQLYRYEKHNLKTVMNDIKDYNNYELYNILLKYTEKFYGIKRVQFIISNLFLSRLGLTNEDLINLFWLKLPMNHCTSSTSSTTTSHHLNKQNIIIKQKRFSLQDIHYNILINDKIDRVLITYNWLYRFFNEFLLSLNIIMITRSPPYGCYILYNMNQQLFRYWIEHYYINNHRTQLEYHTIQLNVFYNQHKYTTTTNTTDTTTTATTTTTTSSSSSSSNELHIHWRWLYEVPYHLSKLNNIKKLKNFCFFNFIWLNYKLQLLLFTDNYSLIIQNCLDEFVLCLLYNQYPISNKINNKINNNNDQLINDLLINRFFDYLYEYPDIHLILSILIQYRYELNYNPYLLNNIIIHTLKEYHHHHIEPLNEQTTDELNKSSMIETSIKCLIHNIEQYNIKNNIQIPSLINFNIPTYLCTYEQIINNLTYNSNSMTSLSSSTLSSSSSTSSSSSSASAIALTCSRKTIQINAIAYSNTKQYLAISTYDLIHYITILEIWNINYNYKLINYIINNNTIQIINELIWIGINDNALLGIEIPSQNIYIWPLKLNGSPNDDDADDDDDDQPYYLLTEEQSNIELYKIKENSTINVVDMDNTTDNNNNNSSSNISYIIQLQQGIYKLSIWLWKDNTLKHLIGPINLIDKPQHIKDPQFLNDPKQKSLRSISLPNTMKSNTELLISSYIYDNKLYIITGYKGDSKAIMFHINILFNHYHLDDKQSIQQTYLLCPNQGTRIIGIYSQLTQSIIIIPNRSPSMITLNDKIIDCIDLFDKQSGNFIKRIESINDNTFSFMEPYLNNFNVLTTWISLPKLFMYYDVNNEQFITIIQNYPTNNYNYNEDISSIELITIWDLNKSITNKINMKQLLSYIIHDHCTMIIPLKISIKNINQISMIKPILEENNYRIYNYQFIFNGKILITLEKLEYSIIVEECKEVYQRMGIYEIDYNPTNEFHLNHIRHLTDVFIIPNHLTEYKIIYSSDPDTTSYLLGLNETRSHFVAYNLLNGQVIWRLKPDFSIYPEYKENSLLNIKYDPSIQQKSNSYLKNSTIEKFLISGNQSILIVSYSMECVCVFLMSKLKHVGYLDENYAMMNRHPLQSIQQQQQQHQEEPQPERPRRFDPPNLSISTISYDGYWLVHTEYSHEEQCTCLTIWSLIHFHNNQLIKEEYNLPWIRKRLLNQSNLIQLTISNYNCIIIGARLNYGLICWCPCKQMNSIYLQGSQYLKFTLNYPPLLNISTYGNKIISISGYIKRTQITIWQLDINDLTICLISNICYIDNIIELQLTNEKLLLCITVMNLNKPLLIDPNWNNNNNNNNNDP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.5	Very low	29.2	Very low	244 Å²	244	137.1 Å²	137.1	100%	1.202	73%	0.733	S	S	*	*				0	167.9	0	-149.2	166.7	-177.5	0	0	108
2	K	28.8	Very low	29.3	Very low	184 Å²	184	139.4 Å²	139.4	80%	0.8	74%	0.736	S	S	*	*			trans	-35.2	154.3	-179.4	-64.3	179.2	173.4	-177.5	0	116.7
3	L	31	Very low	29.4	Very low	140 Å²	140	135.8 Å²	135.8	73%	0.733	72%	0.718	S	S	*	*			cis	-166.1	136.3	-9.5	-109.2	167.7	0	0	0	110.5
4	S	27.9	Very low	29.4	Very low	81 Å²	81	137.9 Å²	137.9	57%	0.566	72%	0.718	S	S	*	*			trans	28.9	146.4	138.1	70	0	0	0	0	124.7
5	N	30.9	Very low	29.5	Very low	153 Å²	153	140.3 Å²	140.3	82%	0.818	72%	0.72	S	S	*	*			trans	73.6	154.1	140.9	-68.4	5.3	0	0	0	119.2
6	S	27.6	Very low	29.4	Very low	85 Å²	85	144.1 Å²	144.1	59%	0.594	72%	0.723	S	S	*	*			cis	-175.6	162.5	-21.3	54.4	0	0	0	0	111.4
7	Q	31	Very low	29.1	Very low	157 Å²	157	144.2 Å²	144.2	73%	0.734	72%	0.72	S	S	*	*			trans	70.5	117.2	145.7	-82.8	179	-9	0	0	121.3
8	D	29.1	Very low	28.9	Very low	111 Å²	111	141 Å²	141	59%	0.594	71%	0.714	S	S	*	*				80	147.2	117.5	-72.9	16.7	0	0	0	124
9	K	32	Very low	29.4	Very low	169 Å²	169	141.8 Å²	141.8	74%	0.735	72%	0.719	S	S	*	*			trans	70.6	131.8	149	-70.7	154.6	-172.3	105	0	118
10	S	26.1	Very low	29.3	Very low	94 Å²	94	144.6 Å²	144.6	66%	0.657	73%	0.726	S	S	*	*			cis	154.6	145.6	-24.1	48.9	0	0	0	0	107.8
11	S	28.5	Very low	29.2	Very low	90 Å²	90	146.6 Å²	146.6	63%	0.629	73%	0.731	S	S	*	*			trans	76.8	151.2	146.6	89	0	0	0	0	119.1
12	Q	30.4	Very low	29.3	Very low	165 Å²	165	141 Å²	141	77%	0.771	71%	0.71	S	S	*	*			trans	67.8	140.2	152.8	-69.6	-169.9	48.3	0	0	116.6
13	N	30.4	Very low	29.3	Very low	93 Å²	93	136.9 Å²	136.9	50%	0.497	71%	0.705	S	S	.	*			cis	-167.8	145.1	3.4	-135.9	-40.2	0	0	0	108.7
14	K	30.2	Very low	29.2	Very low	165 Å²	165	138.6 Å²	138.6	72%	0.717	71%	0.709	S	S	*	*			trans	65.1	157	159	-61.7	145.9	-168.5	160.2	0	114.4
15	K	30.7	Very low	29.2	Very low	174 Å²	174	142.7 Å²	142.7	76%	0.757	72%	0.724	S	S	*	*			cis	-149.4	142.8	-4.5	-131.2	168.1	-175.5	-178.8	0	108.9
16	R	26.7	Very low	29	Very low	201 Å²	201	138.2 Å²	138.2	76%	0.758	71%	0.714	S	S	*	*			trans	35.1	120	139.4	-78.9	-178.7	167.5	-161.4	-0	119
17	Q	25.5	Very low	28.8	Very low	146 Å²	146	144.1 Å²	144.1	68%	0.682	73%	0.729	S	S	*	*				74.5	102.5	123.5	-67.5	172.8	-54.4	0	0	117.8
18	S	25.4	Very low	28.5	Very low	86 Å²	86	142.4 Å²	142.4	60%	0.601	73%	0.729	S	S	*	*				55.7	131	111.8	73.5	0	0	0	0	118.9
19	L	37.1	Very low	28.3	Very low	157 Å²	157	143.6 Å²	143.6	82%	0.822	73%	0.734	S	S	*	*			cis	-132.2	132.6	2.4	-65.2	86.4	0	0	0	108.2
20	F	29.1	Very low	28	Very low	196 Å²	196	142.2 Å²	142.2	86%	0.86	74%	0.735	S	S	*	*			trans	-75.5	125.8	179.6	-64.5	-90.5	0	0	0	108.6
21	K	25.7	Very low	27.9	Very low	188 Å²	188	148.9 Å²	148.9	82%	0.817	75%	0.745	S	S	*	*				51.2	117.2	62.2	-66.6	-171.7	174.6	-176.7	0	110.7
22	T	30.7	Very low	27.9	Very low	125 Å²	125	150.1 Å²	150.1	77%	0.767	74%	0.744	S	S	*	*			cis	-106.5	141.8	26.3	55	0	0	0	0	111.7
23	S	29.2	Very low	27.6	Very low	99 Å²	99	150.2 Å²	150.2	69%	0.692	75%	0.75	S	S	*	*				43.6	115.2	71.1	64.4	0	0	0	0	112.3
24	E	29.3	Very low	27.6	Very low	176 Å²	176	150 Å²	150	82%	0.822	76%	0.755	S	S	*	*			cis	-114	150.8	44.9	-66.3	-166.4	131.2	0	0	117.6
25	L	27.7	Very low	27.7	Very low	166 Å²	166	149.5 Å²	149.5	87%	0.869	76%	0.76	S	S	*	*			trans	55.9	158.9	151.9	-87.9	78.8	0	0	0	120.3
26	G	27	Very low	27.6	Very low	59 Å²	59	146.4 Å²	146.4	61%	0.608	76%	0.757	S	S	*	*			cis	178.5	124.5	-5.3	0	0	0	0	0	111.4	T28	G26-T28 PolarHBondContact O-N 2.69Å
27	K	23.8	Very low	27.7	Very low	209 Å²	209	143.4 Å²	143.4	91%	0.909	76%	0.755	S	S	*	*			trans	-70.8	108.6	-173.6	-62.7	172.2	-178.4	174.9	0	112.7
28	T	24.3	Very low	27.7	Very low	122 Å²	122	142.1 Å²	142.1	75%	0.748	75%	0.753	S	S	*	*			trans	-147.1	99.3	155.7	15.7	0	0	0	0	107.1	G26	G26-T28 PolarHBondContact O-N 2.69Å
29	I	24.4	Very low	27.9	Very low	136 Å²	136	144.5 Å²	144.5	70%	0.697	76%	0.758	S	S	*	*				80.6	125.3	80	-73.4	168.6	0	0	0	112.1
30	N	25.9	Very low	27.3	Very low	139 Å²	139	144.2 Å²	144.2	74%	0.743	75%	0.752	S	S	*	*			trans	-1.9	121.3	156.1	-46.5	-22	0	0	0	116.7
31	R	23.8	Very low	27.2	Very low	234 Å²	234	140.8 Å²	140.8	88%	0.883	74%	0.742	S	S	*	*			trans	143	143.7	158.4	-80.2	150.8	-174.9	-178.6	0.7	107.9
32	I	27.8	Very low	27.5	Very low	116 Å²	116	139.5 Å²	139.5	60%	0.595	74%	0.739	S	S	*	*			cis	-151.1	134.8	-10.2	-108	161.3	0	0	0	103.7	S34	I32-S34 PolarHBondContact O-N 2.83Å
33	N	25.5	Very low	27.5	Very low	167 Å²	167	136.6 Å²	136.6	89%	0.893	73%	0.734	S	S	*	*				49.4	29.6	78.1	-75.8	7.3	0	0	0	116
34	S	30.5	Very low	27.6	Very low	89 Å²	89	139.3 Å²	139.3	62%	0.622	74%	0.741	S	S	*	*			trans	-144.5	115.5	170.3	53.7	0	0	0	0	108.2	I32	I32-S34 PolarHBondContact O-N 2.83Å
35	L	31	Very low	27.6	Very low	155 Å²	155	138.8 Å²	138.8	81%	0.812	74%	0.738	S	S	*	*			cis	54	144.3	26.5	-76	172.7	0	0	0	114.1
36	P	29.7	Very low	27.5	Very low	108 Å²	108	141.9 Å²	141.9	70%	0.701	74%	0.738	S	S	*	*			cis	-98.5	-158.6	-8.7	21.5	1.4	0	0	0	109.2
37	I	28.3	Very low	27.8	Very low	138 Å²	138	147.2 Å²	147.2	71%	0.708	75%	0.745	S	S	*	*			cis	-150.8	133.2	22.4	-63.7	164	0	0	0	104.9	I39	I37-I39 HydrophobicContact CG2-CD1 4.43Å; I37-I39 HydrophobicContact CG2-CG1 3.91Å
38	N	25.7	Very low	28.1	Very low	119 Å²	119	149 Å²	149	64%	0.636	75%	0.746	S	S	*	*			cis	76.2	55.8	28.7	-148.9	90	0	0	0	116.6	Q40	N38-Q40 PolarHBondContact ND2-OE1 3.3Å
39	I	28.7	Very low	28.4	Very low	137 Å²	137	147.7 Å²	147.7	70%	0.703	73%	0.733	S	S	*	*			trans	-133.2	115.6	153	-57.4	171.9	0	0	0	104	I37 D41	I37-I39 HydrophobicContact CG2-CD1 4.43Å; I37-I39 HydrophobicContact CG2-CG1 3.91Å; I39-D41 HydrophobicContact CG2-CB 3.95Å
40	Q	25.7	Very low	28.8	Very low	151 Å²	151	146.9 Å²	146.9	71%	0.706	73%	0.734	S	S	*	*			cis	61.5	57.7	7.4	-157.6	179.1	19.2	0	0	114.6	N38	N38-Q40 PolarHBondContact ND2-OE1 3.3Å
41	D	26.8	Very low	28.9	Very low	123 Å²	123	148.6 Å²	148.6	66%	0.658	74%	0.743	S	S	*	*			trans	174.1	143.7	155.7	-92.7	-29.2	0	0	0	108.1	I39	I39-D41 HydrophobicContact CG2-CB 3.95Å
42	H	32.1	Very low	29	Very low	162 Å²	162	144.2 Å²	144.2	75%	0.75	74%	0.737	S	S	*	*			cis	-123.8	178.4	-11.2	-65.1	-57.2	0	0	0	107.9
43	G	29.5	Very low	28.8	Very low	63 Å²	63	142.7 Å²	142.7	65%	0.649	74%	0.742	S	S	*	*			cis	68.3	122.6	44.8	0	0	0	0	0	110
44	D	31.5	Very low	28.8	Very low	157 Å²	157	142.9 Å²	142.9	84%	0.84	74%	0.737	S	S	*	*			cis	-135.1	155.4	7.4	-82.9	-45	0	0	0	109
45	H	29.7	Very low	28.8	Very low	164 Å²	164	146.7 Å²	146.7	76%	0.759	75%	0.745	S	S	*	*				-159.3	52	73.4	-141.4	-60	0	0	0	114.9	K47	H45-K47 PolarHBondContact O-N 3.23Å
46	W	26.8	Very low	28.6	Very low	231 Å²	231	143.8 Å²	143.8	88%	0.875	74%	0.738	S	S	*	*			trans	-69.5	73.1	167.5	-109.6	54.1	0	0	0	111.2	I49	W46-I49 HydrophobicContact CD2-CD1 4.28Å; W46-I49 HydrophobicContact CE3-CD1 3.61Å; W46-I49 HydrophobicContact CH2-CD1 3.67Å; W46-I49 HydrophobicContact CZ2-CD1 4.31Å; W46-I49 HydrophobicContact CZ3-CD1 3.28Å
47	K	32	Very low	28.5	Very low	172 Å²	172	145.9 Å²	145.9	75%	0.748	74%	0.743	S	S	*	*			trans	-145.3	43.3	-179.5	-146.7	166.9	-173	171.9	0	116.7	H45	H45-K47 PolarHBondContact O-N 3.23Å
48	R	30.1	Very low	28.6	Very low	247 Å²	247	144.5 Å²	144.5	93%	0.932	74%	0.743	S	S	*	*			trans	-137	44.4	143.9	-76.1	-156.2	-177.6	179.5	2.9	112.3
49	I	30.9	Very low	28.5	Very low	94 Å²	94	143.6 Å²	143.6	48%	0.482	75%	0.746	S	S	.	*			trans	-88.8	96.3	144.9	-65.3	-174.9	0	0	0	106.2	W46 L52	W46-I49 HydrophobicContact CD2-CD1 4.28Å; W46-I49 HydrophobicContact CE3-CD1 3.61Å; W46-I49 HydrophobicContact CH2-CD1 3.67Å; W46-I49 HydrophobicContact CZ2-CD1 4.31Å; W46-I49 HydrophobicContact CZ3-CD1 3.28Å; I49-L52 HydrophobicContact CG2-CD1 4.31Å
50	T	32.7	Very low	28.5	Very low	118 Å²	118	144.1 Å²	144.1	72%	0.724	75%	0.749	S	S	*	*			trans	179.4	67	158.2	38.4	0	0	0	0	107.3
51	D	28.7	Very low	28.5	Very low	175 Å²	175	142.5 Å²	142.5	94%	0.936	75%	0.75	S	S	*	*			trans	-162.6	50.8	158.8	-90.7	-32.8	0	0	0	106.2
52	L	24.7	Very low	28.5	Very low	142 Å²	142	144.5 Å²	144.5	74%	0.743	76%	0.757	S	S	*	*			trans	-105.1	125.6	-178.2	-117.5	177.3	0	0	0	108.4	I49	I49-L52 HydrophobicContact CG2-CD1 4.31Å
53	A	23.9	Very low	28.4	Very low	85 Å²	85	144.7 Å²	144.7	70%	0.702	76%	0.758	S	S	*	*			trans	63.4	171.8	172.2	0	0	0	0	0	116.4
54	E	26.5	Very low	28.4	Very low	170 Å²	170	149.9 Å²	149.9	79%	0.794	77%	0.765	S	S	*	*			trans	67.8	125.8	173.5	-67.4	-161.3	-136.8	0	0	116.1
55	Q	30.2	Very low	28.6	Very low	170 Å²	170	147.3 Å²	147.3	79%	0.794	76%	0.757	S	S	*	*			cis	-137.1	170.9	4	-62.7	-167.6	-15.1	0	0	113.4
56	S	27.4	Very low	28.4	Very low	93 Å²	93	145 Å²	145	65%	0.65	75%	0.754	S	S	*	*			trans	-76.1	167.8	-171.3	57.8	0	0	0	0	117.2
57	N	26.3	Very low	28.6	Very low	153 Å²	153	140.7 Å²	140.7	82%	0.818	75%	0.748	S	S	*	*			trans	87.4	158.4	142.6	-73	-14.3	0	0	0	120.3
58	P	30.5	Very low	28.5	Very low	109 Å²	109	141.1 Å²	141.1	71%	0.708	75%	0.745	S	S	*	*			trans	-130.5	-172.3	-144.8	45.2	-31.2	0	0	0	116.5
59	S	24.1	Very low	28.5	Very low	100 Å²	100	139.1 Å²	139.1	70%	0.699	74%	0.737	S	S	*	*			trans	85.2	165.9	153.5	78.8	0	0	0	0	119.7
60	I	29.2	Very low	28.3	Very low	147 Å²	147	139 Å²	139	75%	0.754	75%	0.745	S	S	*	*			trans	71.5	98.3	172.3	-55.1	163.8	0	0	0	113.9
61	T	25.1	Very low	28.1	Very low	118 Å²	118	137.7 Å²	137.7	72%	0.724	74%	0.74	S	S	*	*				81.4	139.3	56.4	67.4	0	0	0	0	116.7
62	M	26.4	Very low	28	Very low	164 Å²	164	137.6 Å²	137.6	81%	0.808	73%	0.734	S	S	*	*			trans	74.4	149.1	173.1	-67.3	172.1	171.6	0	0	116.3
63	H	31.1	Very low	28.3	Very low	166 Å²	166	137 Å²	137	77%	0.769	73%	0.731	S	S	*	*			cis	-147.7	-169	3	-116.3	-41.8	0	0	0	113.1
64	Q	28.1	Very low	28.3	Very low	173 Å²	173	135.5 Å²	135.5	81%	0.808	72%	0.715	S	S	*	*			trans	-105.3	-165.2	-171.8	-80.1	-178.8	-24.9	0	0	112.7
65	P	35.4	Very low	28.4	Very low	103 Å²	103	134.4 Å²	134.4	67%	0.669	71%	0.71	S	S	*	*			cis	-143.2	-178.8	-47.4	36.4	-16.1	0	0	0	118.3
66	T	27.3	Very low	28.3	Very low	115 Å²	115	130.8 Å²	130.8	71%	0.706	70%	0.699	S	S	*	*			trans	79.5	130	139.9	41.4	0	0	0	0	128.5
67	L	29.6	Very low	28.2	Very low	140 Å²	140	130.9 Å²	130.9	73%	0.733	70%	0.7	S	S	*	*			trans	73.4	160.2	138.4	-62.3	166.3	0	0	0	120.4
68	R	29.6	Very low	28.2	Very low	181 Å²	181	127 Å²	127	68%	0.683	70%	0.696	S	S	*	*			cis	-166.6	146.1	9.2	-134.5	167.1	-167.2	179.7	5.6	115.4
69	R	29.9	Very low	28	Very low	205 Å²	205	130.5 Å²	130.5	77%	0.774	70%	0.7	S	S	*	*			trans	55.2	166.7	146.6	-78	173.4	-178.2	177.8	-3	122.5
70	S	28	Very low	28.2	Very low	93 Å²	93	135 Å²	135	65%	0.65	70%	0.703	S	S	*	*			cis	-174.8	165.5	-37.4	59.7	0	0	0	0	114.6
71	S	29	Very low	28.1	Very low	89 Å²	89	133.4 Å²	133.4	62%	0.622	70%	0.696	S	S	*	*			trans	78.4	127.1	144.5	41.9	0	0	0	0	126.6
72	E	26.2	Very low	28.1	Very low	174 Å²	174	130.7 Å²	130.7	81%	0.813	68%	0.682	S	S	*	*			trans	79.7	151.8	133.9	-71.7	178	-146.7	0	0	124.1
73	I	29.8	Very low	28.1	Very low	129 Å²	129	126.5 Å²	126.5	66%	0.662	66%	0.66	S	S	*	*			cis	-171	161.3	-22.9	-118	177.3	0	0	0	112.4
74	S	25.7	Very low	27.9	Very low	53 Å²	53	121.5 Å²	121.5	37%	0.371	64%	0.644	S	S	.	*			trans	65.8	169.6	158.4	68.4	0	0	0	0	123.5	T374	S74-T374 PolarHBondContact O-N 2.95Å
75	E	27.1	Very low	28	Very low	148 Å²	148	117.8 Å²	117.8	69%	0.692	63%	0.633	S	S	*	*			cis	-166.4	159.1	-43.8	-92.6	-170.2	130.9	0	0	110.8	T374	E75-T374 WeakPolarHBondContact O-CB 3.47Å; E75-T374 WeakPolarHBondContact O-CG2 3.46Å; E75-T374 PolarHBondContact O-OG1 2.96Å
76	T	28	Very low	27.8	Very low	94 Å²	94	116.2 Å²	116.2	58%	0.577	62%	0.624	S	S	*	*			trans	70.7	153.8	165.4	65.4	0	0	0	0	120.6	T374	T76-T374 PolarHBondContact N-OG1 3.39Å; T76-T374 WeakPolarHBondContact O-CG2 3.22Å; T76-T374 PolarHBondContact O-OG1 3.28Å
77	S	24.9	Very low	28	Very low	95 Å²	95	116.6 Å²	116.6	66%	0.664	62%	0.618	S	S	*	*			cis	-173.4	157.7	-15	49.9	0	0	0	0	114.4
78	G	28	Very low	28.2	Very low	71 Å²	71	114.1 Å²	114.1	73%	0.732	60%	0.603	S	S	*	*			trans	95.1	168.8	156.8	0	0	0	0	0	117.4
79	K	25.4	Very low	28.4	Very low	183 Å²	183	108.5 Å²	108.5	80%	0.796	59%	0.591	S	S	*	*			cis	-173.6	178.8	-36.2	-130.5	-168.3	-179.7	-167.9	0	107.9
80	Y	28.6	Very low	28.6	Very low	194 Å²	194	104.3 Å²	104.3	76%	0.761	58%	0.576	S	S	*	*			trans	73.8	118.4	180	-60.3	-82.6	0	0	0	114
81	D	26.2	Very low	28.8	Very low	113 Å²	113	107.9 Å²	107.9	60%	0.604	58%	0.579	S	S	*	*				89.8	136.6	56.3	-73.2	-38.2	0	0	0	111.5
82	S	25.3	Very low	28.9	Very low	61 Å²	61	109.5 Å²	109.5	43%	0.427	59%	0.586	S	S	.	*			cis	-161.3	140.6	25.7	37.1	0	0	0	0	115.9	R492	S82-R492 VanDerWaalsContact CB-NH1 3.26Å; S82-R492 PolarHBondContact O-NH2 2.76Å; S82-R492 PolarHBondContact OG-NH1 3.36Å; S82-R492 PolarHBondContact OG-NH2 2.86Å
83	Q	26.8	Very low	29.1	Very low	76 Å²	76	112 Å²	112	36%	0.355	59%	0.588	S	S	.	*				76.7	174.2	129.3	-63.7	171.7	-12.8	0	0	121.3	R492 S493 Q494	Q83-R492 HydrophobicContact CB-CG 3.65Å; Q83-R492 HydrophobicContact CG-CG 4.33Å; Q83-R492 VanDerWaalsContact OE1-CD 3.27Å; Q83-S493 VanDerWaalsContact CB-CB 3.43Å; Q83-S493 WeakPolarHBondContact CG-OG 3.47Å; Q83-S493 PolarHBondContact NE2-OG 3.19Å; Q83-Q494 VanDerWaalsContact CG-CD 3.5Å; Q83-Q494 HydrophobicContact CG-CG 4.13Å; Q83-Q494 VanDerWaalsContact CG-OE1 3.26Å
84	S	26.2	Very low	29.3	Very low	62 Å²	62	110.7 Å²	110.7	43%	0.434	59%	0.587	S	S	.	*			trans	-171.9	180	-163.2	61.8	0	0	0	0	114.8	R492 S493	S84-R492 PolarHBondContact O-N 3.02Å; S84-S493 PolarHBondContact O-N 2.92Å
85	V	30.1	Very low	29.5	Very low	95 Å²	95	112.5 Å²	112.5	58%	0.576	60%	0.6	S	S	*	*			trans	73	136.8	162	156.4	0	0	0	0	117.8	E491 R492	V85-E491 CarbonylContact O-C 3.4Å; V85-E491 WeakPolarHBondContact O-CA 3.06Å; V85-E491 PolarHBondContact O-N 3.09Å; V85-R492 PolarHBondContact O-N 3.31Å
86	S	32.2	Very low	29.8	Very low	69 Å²	69	116.4 Å²	116.4	48%	0.483	61%	0.61	S	S	.	*			cis	-177.9	-151.4	-8.3	60.2	0	0	0	0	111.3
87	Q	32.2	Very low	29.8	Very low	123 Å²	123	117 Å²	117	58%	0.575	62%	0.618	S	S	*	*			trans	87.7	158.2	151.5	-80.3	-178.9	6.1	0	0	122.8	S513	Q87-S513 PolarHBondContact N-OG 2.99Å; Q87-S513 WeakPolarHBondContact O-CB 3.3Å; Q87-S513 PolarHBondContact O-OG 2.89Å
88	Q	33.4	Very low	29.9	Very low	88 Å²	88	117.2 Å²	117.2	41%	0.411	62%	0.619	S	S	.	*			cis	-154.5	140.6	-32.6	-132.5	174.6	24.6	0	0	119	T510 D511 R512	Q88-T510 WeakPolarHBondContact CG-O 3.49Å; Q88-T510 PolarHBondContact NE2-O 3.33Å; Q88-D511 CarbonylContact C-O 3.41Å; Q88-D511 WeakPolarHBondContact CA-O 3.31Å; Q88-D511 WeakPolarHBondContact CG-O 3.43Å; Q88-R512 WeakPolarHBondContact CA-O 3.3Å
89	S	33.3	Very low	29.8	Very low	63 Å²	63	120.3 Å²	120.3	44%	0.441	62%	0.615	S	S	.	*			trans	73.6	166	142.9	90.8	0	0	0	0	120.6	D511	S89-D511 PolarHBondContact N-O 2.85Å
90	R	34.9	Very low	29.8	Very low	118 Å²	118	118.9 Å²	118.9	45%	0.445	61%	0.609	S	S	.	*			cis	-168.6	-163.8	-2.5	-115	160	-172.1	148.6	-18	106.7	M509 T510	R90-M509 PolarHBondContact NH2-O 3Å; R90-T510 PolarHBondContact NE-OG1 2.81Å; R90-T510 PolarHBondContact NH2-OG1 2.83Å
91	K	31.7	Very low	29.7	Very low	167 Å²	167	115.1 Å²	115.1	73%	0.726	61%	0.606	S	S	*	*			cis	-170.9	156.1	-0.7	-127.4	171.5	-177.2	175.6	0	111.1
92	T	30.2	Very low	29.7	Very low	123 Å²	123	115.9 Å²	115.9	76%	0.755	62%	0.615	S	S	*	*			trans	62.5	156.9	149.2	44.5	0	0	0	0	123.3
93	R	31.3	Very low	29.6	Very low	228 Å²	228	121.1 Å²	121.1	86%	0.86	63%	0.63	S	S	*	*			cis	177.3	-168.7	-23.5	-118	-170.6	173.5	-176	-1	108.4
94	P	34.5	Very low	29.6	Very low	100 Å²	100	125.3 Å²	125.3	65%	0.649	65%	0.649	S	S	*	*			cis	-138.7	170.2	-45.3	40.6	-22.7	0	0	0	117.8
95	S	29.1	Very low	29.4	Very low	92 Å²	92	128.4 Å²	128.4	64%	0.643	67%	0.671	S	S	*	*			trans	50.5	139.3	138.8	65.4	0	0	0	0	126.1
96	Y	33.9	Very low	29.4	Very low	230 Å²	230	132.8 Å²	132.8	90%	0.902	69%	0.685	S	S	*	*				-174.2	172.8	118.5	-103.9	-68.1	0	0	0	113.5
97	S	27.1	Very low	29	Very low	105 Å²	105	138.5 Å²	138.5	73%	0.734	70%	0.704	S	S	*	*			trans	-144	-176.6	-172.1	73.1	0	0	0	0	111.7
98	S	27.5	Very low	28.6	Very low	100 Å²	100	139.7 Å²	139.7	70%	0.699	71%	0.714	S	S	*	*			cis	-152.3	-145.6	7.4	26.8	0	0	0	0	108.5
99	E	25.9	Very low	28.1	Very low	136 Å²	136	141.1 Å²	141.1	64%	0.636	73%	0.729	S	S	*	*			cis	-172.7	169.9	9.4	-149.5	-161	144.8	0	0	111.1
100	K	26	Very low	27.8	Very low	154 Å²	154	144.5 Å²	144.5	67%	0.67	74%	0.74	S	S	*	*			trans	67.1	163.7	156	-78.3	165.6	177.8	122.1	0	120.4
101	T	25.2	Very low	27.3	Very low	115 Å²	115	147.2 Å²	147.2	71%	0.706	76%	0.758	S	S	*	*			cis	-169	139.4	-48	26.9	0	0	0	0	111.4
102	V	26	Very low	27.3	Very low	129 Å²	129	145.1 Å²	145.1	78%	0.782	76%	0.759	S	S	*	*			trans	73.9	139	142.6	171.7	0	0	0	0	121.4
103	K	24	Very low	27.3	Very low	170 Å²	170	147.2 Å²	147.2	74%	0.739	76%	0.76	S	S	*	*			trans	104.5	106.7	151	-101.8	175.6	178.9	-170	0	122.9
104	E	25.8	Very low	27	Very low	164 Å²	164	144.4 Å²	144.4	77%	0.766	76%	0.757	S	S	*	*				28.2	114.5	125	-55.5	170.1	139.5	0	0	120.2
105	S	23.1	Very low	26.8	Very low	127 Å²	127	149.2 Å²	149.2	89%	0.888	77%	0.77	S	S	*	*				-174.9	171	110.5	52.9	0	0	0	0	111.8
106	E	29.3	Very low	26.7	Very low	188 Å²	188	149.1 Å²	149.1	88%	0.879	77%	0.77	S	S	*	*			trans	-83.4	140.6	-176.9	-55.4	164	117.4	0	0	112.2
107	E	24.3	Very low	26.3	Very low	189 Å²	189	145.9 Å²	145.9	88%	0.883	76%	0.76	S	S	*	*			trans	-161.9	154.8	140.4	-120.4	169.5	-168.1	0	0	115
108	L	23.8	Very low	26.2	Very low	148 Å²	148	147 Å²	147	78%	0.775	76%	0.763	S	S	*	*			trans	-54.9	148.7	-178.8	-58.1	136.1	0	0	0	113
109	T	23.6	Very low	26.4	Very low	118 Å²	118	151.8 Å²	151.8	72%	0.724	77%	0.771	S	S	*	*				172.7	138.5	83.9	30.9	0	0	0	0	113.2
110	I	26.4	Very low	26.5	Very low	134 Å²	134	152.3 Å²	152.3	69%	0.687	78%	0.778	S	S	*	*				63.8	147.1	128.5	-59.4	171.7	0	0	0	121.6
111	E	25.3	Very low	26.4	Very low	175 Å²	175	155.6 Å²	155.6	82%	0.818	79%	0.787	S	S	*	*			trans	69	147.8	168.3	-82	148.3	-134.5	0	0	117.4
112	V	30.3	Very low	26.8	Very low	123 Å²	123	161.3 Å²	161.3	75%	0.745	80%	0.797	S	S	*	*			cis	-115.2	127.7	13.1	175.4	0	0	0	0	112.6	E114	V112-E114 HydrophobicContact CG1-CB 4.17Å
113	E	30	Very low	26.9	Very low	167 Å²	167	161.2 Å²	161.2	78%	0.78	80%	0.797	S	S	*	*			trans	-90.8	122.2	150	-67	-174	136.7	0	0	107.8
114	E	25.7	Very low	27	Very low	169 Å²	169	162 Å²	162	79%	0.79	80%	0.803	S	S	*	*			trans	-165	107.5	155.3	-121.7	165.8	-151.8	0	0	113.9	V112	V112-E114 HydrophobicContact CG1-CB 4.17Å
115	E	30.2	Very low	27.1	Very low	200 Å²	200	165 Å²	165	94%	0.935	81%	0.814	S	S	*	*	S	Bend		-162.6	54.3	126.8	-121.6	-176.1	-141.7	0	0	110
116	S	27	Very low	27.3	Very low	90 Å²	90	161.9 Å²	161.9	63%	0.629	80%	0.802	S	S	*	*	S	Bend	trans	-139.2	32.9	-172.7	60.4	0	0	0	0	114.4
117	K	25.9	Very low	27.3	Very low	162 Å²	162	156.6 Å²	156.6	70%	0.704	80%	0.798	S	S	*	*			trans	-156	100.9	166.8	-86.5	127.1	180	177	0	111.8
118	V	25.8	Very low	27.5	Very low	129 Å²	129	156 Å²	156	78%	0.782	80%	0.799	S	S	*	*	S	Bend	trans	-132.3	-20.4	164.9	-177	0	0	0	0	113
119	F	31.2	Very low	27.7	Very low	200 Å²	200	158.7 Å²	158.7	88%	0.877	81%	0.805	S	S	*	*	S	Bend	trans	-99.9	7.9	-173.4	-95.1	-77.7	0	0	0	117.4	R121	F119-R121 PolarHBondContact O-N 3.45Å
120	D	26.9	Very low	28	Very low	147 Å²	147	157.8 Å²	157.8	79%	0.786	80%	0.803	S	S	*	*	S	Bend	trans	-95.5	46.4	172.9	-80.5	-36.5	0	0	0	113
121	R	25.4	Very low	28.1	Very low	224 Å²	224	158.9 Å²	158.9	85%	0.845	81%	0.806	S	S	*	*			trans	-143.6	42.6	173.9	-75.7	-160.3	-179.2	171	5	115.8	F119	F119-R121 PolarHBondContact O-N 3.45Å
122	Y	32.5	Very low	28.4	Very low	235 Å²	235	157.4 Å²	157.4	92%	0.922	80%	0.799	S	S	*	*			trans	-144.6	52	160.9	-93.5	-63.8	0	0	0	113.5
123	T	28.4	Very low	28.4	Very low	127 Å²	127	157.5 Å²	157.5	78%	0.779	80%	0.799	S	S	*	*			trans	-108.2	102.6	165.5	51.5	0	0	0	0	110.6
124	E	26.5	Very low	28.4	Very low	186 Å²	186	155.8 Å²	155.8	87%	0.869	80%	0.8	S	S	*	*			trans	169	111.6	143.3	-99.2	176.3	-168.7	0	0	111.3
125	F	28.2	Very low	28.5	Very low	226 Å²	226	156.7 Å²	156.7	99%	0.991	80%	0.802	S	S	*	*	S	Bend	trans	-172	125.9	142.1	-107	-64.2	0	0	0	112.1
126	G	27.6	Very low	28.5	Very low	63 Å²	63	152.5 Å²	152.5	65%	0.649	79%	0.79	S	S	*	*			trans	78.6	62.3	151.6	0	0	0	0	0	119.3
127	G	27.5	Very low	28.5	Very low	77 Å²	77	155.5 Å²	155.5	79%	0.794	79%	0.794	S	S	*	*			trans	-84	177.2	163.6	0	0	0	0	0	114
128	I	29.5	Very low	28.6	Very low	176 Å²	176	154.7 Å²	154.7	90%	0.903	80%	0.797	S	S	*	*			trans	-118.7	121.6	160.2	-64.6	178.8	0	0	0	107.7
129	K	28.2	Very low	28.7	Very low	204 Å²	204	157.1 Å²	157.1	89%	0.887	80%	0.8	S	S	*	*			trans	-104.7	144.4	172	-79	-177.9	176.5	176	0	110.3
130	S	30.4	Very low	28.5	Very low	100 Å²	100	157 Å²	157	70%	0.699	80%	0.802	S	S	*	*			trans	-138.7	110.7	147	52	0	0	0	0	104.8
131	Q	27.9	Very low	28.6	Very low	157 Å²	157	153.8 Å²	153.8	73%	0.734	80%	0.804	S	S	*	*				66.7	123.9	96.3	-72.3	173.8	-88.7	0	0	111.4
132	E	31.6	Very low	28.7	Very low	144 Å²	144	149.2 Å²	149.2	67%	0.673	80%	0.796	S	S	*	*			cis	-147.2	142.3	14.4	-100.4	138.4	-155	0	0	109.5
133	T	29.3	Very low	28.5	Very low	124 Å²	124	145.2 Å²	145.2	76%	0.761	78%	0.783	S	S	*	*				40.2	138.5	100	68.1	0	0	0	0	115.5
134	V	31.6	Very low	28.5	Very low	132 Å²	132	145.3 Å²	145.3	80%	0.8	78%	0.779	S	S	*	*			cis	-145.2	175	42.5	178.6	0	0	0	0	111.8
135	K	27.9	Very low	28.5	Very low	188 Å²	188	143 Å²	143	82%	0.817	77%	0.772	S	S	*	*			trans	-89.3	-153	172.3	-56.1	179.8	173.3	-176.1	0	112.4
136	V	29	Very low	28.4	Very low	112 Å²	112	137.8 Å²	137.8	68%	0.679	75%	0.754	S	S	*	*			trans	81.2	100.5	171.9	-171.5	0	0	0	0	111
137	E	27.2	Very low	28.4	Very low	153 Å²	153	141.8 Å²	141.8	72%	0.715	75%	0.754	S	S	*	*				93.7	134.4	60.5	-74.6	159.1	171	0	0	112.3
138	D	27.9	Very low	28.4	Very low	144 Å²	144	145.3 Å²	145.3	77%	0.77	75%	0.747	S	S	*	*			trans	70.6	151.3	152.8	-58.5	-18.7	0	0	0	124.9
139	E	27.3	Very low	28.2	Very low	181 Å²	181	142.3 Å²	142.3	85%	0.846	74%	0.737	S	S	*	*			trans	73.9	122.9	154.8	-76.4	171.9	-168.3	0	0	124.3
140	E	27.9	Very low	28.1	Very low	197 Å²	197	140.5 Å²	140.5	92%	0.921	73%	0.732	S	S	*	*			trans	-2.6	124.1	149.5	-50.7	-170.1	150.5	0	0	119.1
141	G	28.4	Very low	27.9	Very low	80 Å²	80	144 Å²	144	83%	0.825	74%	0.735	S	S	*	*			trans	-151.9	63.9	-177.3	0	0	0	0	0	114.1
142	D	28.7	Very low	27.9	Very low	128 Å²	128	142.1 Å²	142.1	68%	0.684	73%	0.73	S	S	*	*			trans	-52.5	164	178.8	-172.5	20.4	0	0	0	115.4
143	K	28.4	Very low	27.6	Very low	151 Å²	151	143.6 Å²	143.6	66%	0.657	73%	0.734	S	S	*	*			trans	83.2	105.8	162.7	-55.2	-177.5	-177.8	62.9	0	120.5
144	N	27.9	Very low	27.4	Very low	128 Å²	128	147.5 Å²	147.5	68%	0.684	74%	0.735	S	S	*	*				97.6	138.2	106.8	-78.3	-13.4	0	0	0	124.2
145	L	27.1	Very low	27.2	Very low	138 Å²	138	147.5 Å²	147.5	72%	0.723	73%	0.726	S	S	*	*			trans	65	147.6	142.1	-86.4	86.1	0	0	0	120.2
146	L	26.2	Very low	27.1	Very low	117 Å²	117	143.8 Å²	143.8	61%	0.613	72%	0.715	S	S	*	*			cis	-169.1	156.1	-28.5	-144.5	63.4	0	0	0	112.2
147	F	26.8	Very low	26.9	Very low	147 Å²	147	146.4 Å²	146.4	65%	0.645	72%	0.72	S	S	*	*			trans	63.4	121.3	141.3	-83.6	-177	0	0	0	124.6
148	K	27.1	Very low	26.9	Very low	151 Å²	151	144.4 Å²	144.4	66%	0.657	72%	0.718	S	S	*	*				78.4	125.1	116.1	-71.1	179.1	-176.7	170.4	0	122.8
149	T	26.5	Very low	26.8	Very low	113 Å²	113	145.1 Å²	145.1	69%	0.693	72%	0.717	S	S	*	*				15.3	139.5	118.9	66.7	0	0	0	0	118.1
150	Q	25.7	Very low	26.7	Very low	166 Å²	166	143 Å²	143	78%	0.776	71%	0.711	S	S	*	*				-165.9	154.8	63.1	-81.8	-175.4	-30.7	0	0	114.6
151	F	26.7	Very low	26.8	Very low	173 Å²	173	140.9 Å²	140.9	76%	0.759	70%	0.704	S	S	*	*			trans	31.8	143.7	141.8	-75.4	-89.1	0	0	0	125.4
152	N	26.8	Very low	26.8	Very low	118 Å²	118	143.1 Å²	143.1	63%	0.631	70%	0.696	S	S	*	*			trans	88.3	108.4	138.3	-79.8	-34.4	0	0	0	122.6
153	K	25.7	Very low	27	Very low	174 Å²	174	146.2 Å²	146.2	76%	0.757	71%	0.706	S	S	*	*				69.9	121.3	122.1	-71.5	178.6	-179.4	176.8	0	122
154	R	25.3	Very low	26.9	Very low	207 Å²	207	144.1 Å²	144.1	78%	0.781	71%	0.706	S	S	*	*				87	119	129.6	-79	-177.3	169.7	-165.4	-2.3	120.8
155	Q	26.4	Very low	27.2	Very low	131 Å²	131	145.3 Å²	145.3	61%	0.612	71%	0.713	S	S	*	*				87.8	124.4	125.9	-78.4	-178.6	-105.2	0	0	121.2
156	D	26.1	Very low	27.4	Very low	110 Å²	110	150 Å²	150	59%	0.588	72%	0.721	S	S	*	*			trans	74.9	122.7	133.1	-54.7	-15.5	0	0	0	121.6
157	Q	25.7	Very low	27.7	Very low	168 Å²	168	149.6 Å²	149.6	79%	0.785	73%	0.727	S	S	*	*			trans	72.2	147.6	144.8	-64.4	167.1	30.5	0	0	116.7
158	T	25.6	Very low	28	Very low	110 Å²	110	149 Å²	149	68%	0.675	73%	0.73	S	S	*	*			cis	-159.9	161.5	-6.6	11.9	0	0	0	0	110.8
159	E	26.3	Very low	28.2	Very low	159 Å²	159	153.5 Å²	153.5	74%	0.743	74%	0.743	S	S	*	*			trans	61.2	130	145.2	-73.7	-174.9	160.1	0	0	124.4
160	L	26	Very low	28.5	Very low	137 Å²	137	156.8 Å²	156.8	72%	0.717	75%	0.747	S	S	*	*			trans	66.4	159.6	141.6	-59.2	167.2	0	0	0	117.2
161	I	29.6	Very low	28.9	Very low	153 Å²	153	157 Å²	157	79%	0.785	75%	0.748	S	S	*	*			cis	-134.4	154	21.5	-71	169.8	0	0	0	111.1
162	L	27.6	Very low	29.2	Very low	126 Å²	126	155.9 Å²	155.9	66%	0.66	75%	0.749	S	S	*	*			trans	-81.2	153.2	173.6	-59.3	87	0	0	0	113	T164	L162-T164 HydrophobicContact CD2-CG2 4.46Å
163	H	32.7	Very low	29.2	Very low	193 Å²	193	154.6 Å²	154.6	89%	0.894	75%	0.749	S	S	*	*			trans	-144.3	145.9	138.6	-102.6	-67.5	0	0	0	112.2
164	T	27.8	Very low	29.3	Very low	107 Å²	107	152.1 Å²	152.1	66%	0.656	75%	0.752	S	S	*	*			trans	-118.8	150.7	-155.3	54.4	0	0	0	0	115.4	L162	L162-T164 HydrophobicContact CD2-CG2 4.46Å
165	N	33.7	Very low	29.6	Very low	153 Å²	153	150 Å²	150	82%	0.818	76%	0.755	S	S	*	*			trans	-5.6	118.8	152.6	-77.2	-61.1	0	0	0	117.5
166	R	31.3	Very low	29.7	Very low	238 Å²	238	152.9 Å²	152.9	90%	0.898	77%	0.765	S	S	*	*			trans	-166	-32.5	141.3	-114.7	162.9	-177.7	170	1	117.1
167	S	32.2	Very low	29.9	Very low	107 Å²	107	155 Å²	155	75%	0.748	78%	0.776	S	S	*	*	S	Bend	trans	-77.2	-30.8	-157.8	-48.7	0	0	0	0	117.7
168	I	32.9	Very low	29.9	Very low	135 Å²	135	155.8 Å²	155.8	69%	0.692	78%	0.78	S	S	*	*	S	Bend	trans	-84.2	-23.1	-167	-61.1	176.1	0	0	0	113.6	K170	I168-K170 PolarHBondContact O-N 3.07Å
169	R	32.8	Very low	30.1	Very low	245 Å²	245	155.8 Å²	155.8	93%	0.925	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	21.8	-177.6	-78.8	-170.9	174.6	-177.8	-0.6	115.4
170	K	32.4	Very low	30.5	Very low	182 Å²	182	158.3 Å²	158.3	79%	0.791	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.9	-1	-178.9	-87.1	-165.6	172.2	-170.2	0	116.2	I168	I168-K170 PolarHBondContact O-N 3.07Å
171	Q	32.9	Very low	30.6	Very low	171 Å²	171	156.6 Å²	156.6	80%	0.799	79%	0.787	S	S	*	*	S	Bend	trans	-118.8	6.5	-172.7	-75.4	-177.4	-41.6	0	0	115.6
172	I	33.2	Very low	30.5	Very low	150 Å²	150	157.8 Å²	157.8	77%	0.769	79%	0.79	S	S	*	*	S	Bend	trans	-119.1	22.7	-177.2	-40.3	-177.8	0	0	0	111.2
173	S	27.3	Very low	30.6	Very low	91 Å²	91	157.8 Å²	157.8	64%	0.636	80%	0.797	S	S	*	*	S	Bend	trans	-113.2	129.8	169.6	54.7	0	0	0	0	108.5
174	C	28.1	Very low	30.6	Very low	121 Å²	121	156.4 Å²	156.4	82%	0.818	79%	0.789	S	S	*	*			trans	68.5	133.4	-151.6	-51.6	0	0	0	0	110
175	I	31.4	Very low	31	Very low	164 Å²	164	156 Å²	156	84%	0.841	79%	0.787	S	S	*	*			cis	-125.6	144.5	38.2	-72.2	152.7	0	0	0	112.1
176	K	27.6	Very low	31.3	Very low	190 Å²	190	155.6 Å²	155.6	83%	0.826	79%	0.785	S	S	*	*			trans	-95.9	135.3	155	-66.9	176.4	177.8	179.1	0	107.2
177	D	30.6	Very low	31.9	Very low	154 Å²	154	149.1 Å²	149.1	82%	0.824	76%	0.761	S	S	*	*			trans	174.6	147.1	136.9	-87.9	-20.5	0	0	0	110.8
178	H	26.8	Very low	33.6	Very low	185 Å²	185	149.2 Å²	149.2	86%	0.856	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-98.9	125.2	179.1	-75.8	-87.2	0	0	0	111.4
179	P	30.3	Very low	34.9	Very low	111 Å²	111	145.8 Å²	145.8	72%	0.721	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-74.7	136.8	154.4	31.5	-30.8	0	0	0	109.7
180	K	33.9	Very low	36.4	Very low	212 Å²	212	139.5 Å²	139.5	92%	0.922	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-93.5	125.4	160.8	-71	-177.6	177.9	-178.4	0	108.9
181	P	28.5	Very low	37.9	Very low	100 Å²	100	133.2 Å²	133.2	65%	0.649	68%	0.684	S	S	*	*			trans	-132.5	123.4	164.2	31.8	-14.3	0	0	0	114.2
182	Q	27.9	Very low	38.9	Very low	179 Å²	179	132 Å²	132	84%	0.836	67%	0.673	S	S	*	*			trans	59.2	138.6	149.7	-65.4	176.5	-28.3	0	0	120.9
183	P	28.6	Very low	40.1	Very low	125 Å²	125	125.8 Å²	125.8	81%	0.812	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-73.1	140.3	166.4	32.5	-33.3	0	0	0	110.5
184	F	32	Very low	41.1	Very low	165 Å²	165	128.2 Å²	128.2	72%	0.724	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-79	149.5	167.7	-83.7	-102.5	0	0	0	110.1
185	P	36.2	Very low	41.9	Very low	97 Å²	97	123.9 Å²	123.9	63%	0.63	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-68.4	147.1	177.5	29.4	-35.6	0	0	0	111.4	R187	P185-R187 WeakPolarHBondContact O-CG 3.24Å; P185-R187 PolarHBondContact O-N 3.16Å; P185-R187 VanDerWaalsContact O-N 3.1Å
186	D	41.6	Very low	42.3	Very low	145 Å²	145	122.1 Å²	122.1	78%	0.775	61%	0.611	S	S	*	*			trans	-59.7	108.4	-177.5	-63.4	-59.5	0	0	0	112.4	Q188	D186-Q188 PolarHBondContact O-N 3.49Å
187	R	42.9	Very low	42.9	Very low	103 Å²	103	117.6 Å²	117.6	39%	0.389	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.4	93	-179.3	-58.4	-173.7	174.9	-172	-4.8	111	P185 F224 T225	P185-R187 WeakPolarHBondContact O-CG 3.24Å; P185-R187 PolarHBondContact O-N 3.16Å; P185-R187 VanDerWaalsContact O-N 3.1Å; R187-F224 HydrophobicContact CB-CD1 3.44Å; R187-F224 VanDerWaalsContact CB-CD1 3.44Å; R187-F224 HydrophobicContact CB-CE1 3.74Å; R187-F224 HydrophobicContact CB-CG 3.96Å; R187-F224 HydrophobicContact CB-CZ 4.47Å; R187-F224 HydrophobicContact CG-CE1 4.46Å; R187-F224 CarbonylContact O-C 3.25Å; R187-F224 WeakPolarHBondContact O-CA 3.49Å; R187-F224 WeakPolarHBondContact O-CB 3.4Å; R187-F224 WeakPolarHBondContact O-CD1 3.36Å; R187-T225 PolarHBondContact O-N 3.49Å
188	Q	68.3	Low	43.5	Very low	109 Å²	109	114.8 Å²	114.8	51%	0.509	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.7	134.5	174	-68	172.7	-5.6	0	0	110.9	D186 Y190 T225	D186-Q188 PolarHBondContact O-N 3.49Å; Q188-Y190 HydrophobicContact CB-CD2 4.28Å; Q188-Y190 HydrophobicContact CB-CE2 3.64Å; Q188-Y190 PolarHBondContact OE1-OH 3.44Å; Q188-T225 CarbonylContact C-O 3.52Å; Q188-T225 WeakPolarHBondContact CA-O 3.4Å; Q188-T225 WeakPolarHBondContact CG-OG1 3.03Å
189	L	61.1	Low	44.5	Very low	63 Å²	63	110.6 Å²	110.6	33%	0.33	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.3	115.8	170.6	-176.2	73.4	0	0	0	108.4	I191 L215 C219 F224 T225 L226 N227	L189-I191 HydrophobicContact CD2-CD1 4.39Å; L189-L215 HydrophobicContact CD2-CD2 4.28Å; L189-C219 VanDerWaalsContact CD2-SG 3.53Å; L189-F224 HydrophobicContact CB-CD1 4.37Å; L189-T225 PolarHBondContact N-O 3.35Å; L189-L226 HydrophobicContact CD2-CD1 4.16Å; L189-N227 PolarHBondContact O-N 3.4Å
190	Y	64.1	Low	45.2	Very low	113 Å²	113	107.1 Å²	107.1	44%	0.443	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.4	177.3	-70.6	-90.1	0	0	0	110.6	Q188 N227 I229	Q188-Y190 HydrophobicContact CB-CD2 4.28Å; Q188-Y190 HydrophobicContact CB-CE2 3.64Å; Q188-Y190 PolarHBondContact OE1-OH 3.44Å; Y190-N227 CarbonylContact C-O 3.55Å; Y190-N227 WeakPolarHBondContact CA-O 3.16Å; Y190-N227 HydrophobicContact CD1-CB 3.74Å; Y190-N227 HydrophobicContact CE1-CB 3.74Å; Y190-N227 WeakPolarHBondContact CE1-ND2 3.44Å; Y190-N227 HydrophobicContact CG-CB 4.37Å; Y190-N227 VanDerWaalsContact CZ-ND2 3.32Å; Y190-N227 PolarHBondContact OH-ND2 3.32Å; Y190-I229 HydrophobicContact CD1-CD1 3.79Å; Y190-I229 HydrophobicContact CD1-CG1 4.41Å; Y190-I229 HydrophobicContact CE1-CD1 4.37Å
191	I	63	Low	45.9	Very low	50 Å²	50	107.5 Å²	107.5	26%	0.256	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	115.1	173.5	-58	-174.6	0	0	0	108.5	L189 V193 L215 L226 N227 I228 I229	L189-I191 HydrophobicContact CD2-CD1 4.39Å; I191-V193 HydrophobicContact CG2-CG2 4.41Å; I191-L215 HydrophobicContact CD1-CD1 3.59Å; I191-L215 HydrophobicContact CD1-CD2 3.93Å; I191-L215 HydrophobicContact CD1-CG 4.41Å; I191-L226 HydrophobicContact CD1-CD1 3.71Å; I191-L226 HydrophobicContact CG1-CD1 4.03Å; I191-N227 PolarHBondContact N-O 2.83Å; I191-I228 WeakPolarHBondContact O-CA 3.4Å; I191-I229 PolarHBondContact O-N 2.99Å
192	Y	54.3	Low	47	Very low	145 Å²	145	108.7 Å²	108.7	57%	0.569	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	135.7	172.1	-65.2	-95.6	0	0	0	109.8	I229	Y192-I229 CarbonylContact C-O 3.59Å; Y192-I229 WeakPolarHBondContact CA-O 3.42Å; Y192-I229 HydrophobicContact CD1-CB 3.95Å; Y192-I229 HydrophobicContact CD1-CD1 4.21Å; Y192-I229 HydrophobicContact CD1-CG2 3.82Å; Y192-I229 HydrophobicContact CE1-CB 4.16Å; Y192-I229 HydrophobicContact CE1-CD1 3.56Å; Y192-I229 HydrophobicContact CE1-CG1 4.45Å; Y192-I229 HydrophobicContact CE1-CG2 3.96Å; Y192-I229 HydrophobicContact CE2-CD1 4.37Å; Y192-I229 HydrophobicContact CG-CB 4.49Å
193	V	58.8	Low	48.2	Very low	19 Å²	19	104.1 Å²	104.1	12%	0.115	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	105.7	179	-177.2	0	0	0	0	108.8	I191 L204 L207 I228 I229 D231	I191-V193 HydrophobicContact CG2-CG2 4.41Å; V193-L204 HydrophobicContact CG1-CD2 4.38Å; V193-L207 HydrophobicContact CG1-CD1 4.25Å; V193-I228 HydrophobicContact CG2-CG2 4.03Å; V193-I229 PolarHBondContact N-O 2.88Å; V193-D231 PolarHBondContact O-N 2.85Å
194	I	46.4	Very low	49.6	Very low	143 Å²	143	98.9 Å²	98.9	73%	0.733	49%	0.487	S	S	*	.			trans	-107.9	122.3	174.1	-56.6	171.7	0	0	0	107	D231	I194-D231 HydrophobicContact CG1-CB 4.46Å; I194-D231 WeakPolarHBondContact CG1-OD2 3.38Å
195	A	46.5	Very low	51	Low	29 Å²	29	94.7 Å²	94.7	24%	0.24	48%	0.476	C	S	.	.			trans	-141.2	144.2	-177.4	0	0	0	0	0	112.1	M200 N232	A195-M200 HydrophobicContact CB-CG 4.02Å; A195-N232 PolarHBondContact O-ND2 3.18Å
196	D	39.4	Very low	52.1	Low	127 Å²	127	92.4 Å²	92.4	68%	0.679	46%	0.458	S	S	*	.			trans	-72.3	145.2	-179.9	-136	8.6	0	0	0	110.7	T198	D196-T198 VanDerWaalsContact C-N 3.28Å; D196-T198 PolarHBondContact O-N 3.42Å
197	P	39.4	Very low	53.1	Low	96 Å²	96	87.7 Å²	87.7	62%	0.623	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.8	-160.8	30.3	-34.4	0	0	0	115.2	M200	P197-M200 HydrophobicContact CB-CE 3.94Å
198	T	43.9	Very low	54.2	Low	95 Å²	95	88 Å²	88	58%	0.583	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-45.1	-179	34.8	0	0	0	0	113.3	D196	D196-T198 VanDerWaalsContact C-N 3.28Å; D196-T198 PolarHBondContact O-N 3.42Å
199	D	47.9	Very low	54.1	Low	97 Å²	97	88.3 Å²	88.3	52%	0.519	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-15.9	179.5	-78.9	-54.9	0	0	0	114	R201 I202 E203	D199-R201 PolarHBondContact O-N 3.45Å; D199-I202 PolarHBondContact O-N 2.87Å; D199-E203 HydrophobicContact CB-CG 4.49Å
200	M	45.1	Very low	54.4	Low	37 Å²	37	91.7 Å²	91.7	18%	0.182	45%	0.446	C	S	.	.	H	α-helix	trans	-42.1	-39.7	-166.3	-129.7	-153.7	-75.2	0	0	115.8	A195 P197 L204 N232	A195-M200 HydrophobicContact CB-CG 4.02Å; P197-M200 HydrophobicContact CB-CE 3.94Å; M200-L204 HydrophobicContact CB-CD1 4.48Å; M200-L204 HydrophobicContact CG-CD1 3.76Å; M200-L204 HydrophobicContact CG-CG 4.34Å; M200-L204 WeakPolarHBondContact O-CB 3.45Å; M200-L204 WeakPolarHBondContact O-CG 3.3Å; M200-L204 PolarHBondContact O-N 2.8Å; M200-L204 HydrophobicContact SD-CD1 3.64Å; M200-N232 HydrophobicContact CE-CB 4.02Å; M200-N232 WeakPolarHBondContact CE-ND2 3.37Å; M200-N232 HydrophobicContact SD-CB 3.7Å; M200-N232 PolarHBondContact SD-ND2 3Å; M200-N232 VanDerWaalsContact SD-ND2 3.4Å
201	R	47.9	Very low	54.6	Low	220 Å²	220	87.6 Å²	87.6	83%	0.83	43%	0.433	S	S	*	.	H	α-helix	trans	-69.9	-36.3	-172.9	-75.7	-172.2	177.8	175.1	1.6	114.9	D199 T205	D199-R201 PolarHBondContact O-N 3.45Å; R201-T205 VanDerWaalsContact O-CB 3.29Å; R201-T205 WeakPolarHBondContact O-CB 3.45Å; R201-T205 PolarHBondContact O-N 2.93Å; R201-T205 PolarHBondContact O-OG1 3.05Å
202	I	52.1	Low	55.3	Low	125 Å²	125	87.4 Å²	87.4	64%	0.641	43%	0.429	S	S	*	.	H	α-helix	trans	-82.6	-40.6	-179.1	-62.6	178.9	0	0	0	109.4	D199 T205 N206	D199-I202 PolarHBondContact O-N 2.87Å; I202-T205 PolarHBondContact O-N 3.2Å; I202-N206 PolarHBondContact O-N 2.92Å; I202-N206 PolarHBondContact O-ND2 3.2Å
203	E	52.9	Low	56.3	Low	83 Å²	83	83.7 Å²	83.7	39%	0.388	42%	0.423	S	S	.	.	H	α-helix	trans	-70	-46	-179.6	-59.4	-142.7	123.9	0	0	112.5	D199 T205 N206 L207 H1106	D199-E203 HydrophobicContact CB-CG 4.49Å; E203-T205 VanDerWaalsContact C-N 3.31Å; E203-T205 PolarHBondContact O-N 2.71Å; E203-N206 PolarHBondContact O-N 3Å; E203-L207 WeakPolarHBondContact O-CB 3.28Å; E203-L207 WeakPolarHBondContact O-CG 3.34Å; E203-L207 PolarHBondContact O-N 2.96Å; E203-H1106 IonicContact OE1-CD2 2.64Å; E203-H1106 PolarHBondContact OE1-CD2 3.26Å; E203-H1106 VanDerWaalsContact OE1-CD2 3.28Å
204	L	57.7	Low	57	Low	15 Å²	15	90.2 Å²	90.2	8%	0.079	45%	0.446	C	S	.	.	H	α-helix	trans	-58.3	-44.7	170.7	-77.1	170.1	0	0	0	110.6	V193 M200 N206 L207 R208 W212 D230	V193-L204 HydrophobicContact CG1-CD2 4.38Å; M200-L204 HydrophobicContact CB-CD1 4.48Å; M200-L204 HydrophobicContact CG-CD1 3.76Å; M200-L204 HydrophobicContact CG-CG 4.34Å; M200-L204 WeakPolarHBondContact O-CB 3.45Å; M200-L204 WeakPolarHBondContact O-CG 3.3Å; M200-L204 PolarHBondContact O-N 2.8Å; M200-L204 HydrophobicContact SD-CD1 3.64Å; L204-N206 VanDerWaalsContact C-N 3.31Å; L204-N206 PolarHBondContact O-N 3.14Å; L204-L207 HydrophobicContact CD2-CD1 4.38Å; L204-L207 CarbonylContact O-C 3.57Å; L204-L207 WeakPolarHBondContact O-CB 3.46Å; L204-L207 PolarHBondContact O-N 3.13Å; L204-L207 VanDerWaalsContact O-N 3.13Å; L204-R208 WeakPolarHBondContact O-CG 3.08Å; L204-R208 PolarHBondContact O-N 2.96Å; L204-W212 HydrophobicContact CD2-CZ2 4.46Å; L204-D230 WeakPolarHBondContact CD2-OD2 3.49Å
205	T	60.9	Low	58.2	Low	78 Å²	78	85.8 Å²	85.8	48%	0.479	42%	0.424	S	S	.	.	H	α-helix	trans	-59.6	-41.3	178.7	-60.2	0	0	0	0	111.8	R201 I202 E203 R208 M209	R201-T205 VanDerWaalsContact O-CB 3.29Å; R201-T205 WeakPolarHBondContact O-CB 3.45Å; R201-T205 PolarHBondContact O-N 2.93Å; R201-T205 PolarHBondContact O-OG1 3.05Å; I202-T205 PolarHBondContact O-N 3.2Å; E203-T205 VanDerWaalsContact C-N 3.31Å; E203-T205 PolarHBondContact O-N 2.71Å; T205-R208 PolarHBondContact O-N 2.9Å; T205-M209 HydrophobicContact CG2-CG 4.11Å; T205-M209 WeakPolarHBondContact O-CB 3.42Å; T205-M209 WeakPolarHBondContact O-CG 3.45Å; T205-M209 PolarHBondContact O-N 3.04Å
206	N	59.6	Low	59.7	Low	48 Å²	48	89.2 Å²	89.2	26%	0.257	44%	0.435	S	S	.	.	H	α-helix	trans	-67.8	-38.5	175	-75.9	-30.1	0	0	0	112.7	I202 E203 L204 Y210 V211	I202-N206 PolarHBondContact O-N 2.92Å; I202-N206 PolarHBondContact O-ND2 3.2Å; E203-N206 PolarHBondContact O-N 3Å; L204-N206 VanDerWaalsContact C-N 3.31Å; L204-N206 PolarHBondContact O-N 3.14Å; N206-Y210 HydrophobicContact CB-CD2 4.46Å; N206-Y210 PolarHBondContact O-N 2.87Å; N206-V211 PolarHBondContact O-N 2.77Å
207	L	62.2	Low	61.4	Low	47 Å²	47	88 Å²	88	25%	0.246	42%	0.421	C	S	.	.	I	π-helix	trans	-60.1	-49.8	172.4	-75.4	164.6	0	0	0	110.7	V193 E203 L204 M209 V211 W212	V193-L207 HydrophobicContact CG1-CD1 4.25Å; E203-L207 WeakPolarHBondContact O-CB 3.28Å; E203-L207 WeakPolarHBondContact O-CG 3.34Å; E203-L207 PolarHBondContact O-N 2.96Å; L204-L207 HydrophobicContact CD2-CD1 4.38Å; L204-L207 CarbonylContact O-C 3.57Å; L204-L207 WeakPolarHBondContact O-CB 3.46Å; L204-L207 PolarHBondContact O-N 3.13Å; L204-L207 VanDerWaalsContact O-N 3.13Å; L207-M209 PolarHBondContact O-N 3.44Å; L207-V211 HydrophobicContact CD2-CB 3.97Å; L207-V211 HydrophobicContact CD2-CG1 4.1Å; L207-V211 HydrophobicContact CD2-CG2 4.04Å; L207-V211 PolarHBondContact O-N 2.79Å; L207-W212 HydrophobicContact CB-CZ2 4.29Å; L207-W212 WeakPolarHBondContact O-CB 3.3Å; L207-W212 VanDerWaalsContact O-CG 3.27Å; L207-W212 PolarHBondContact O-N 2.76Å
208	R	65.9	Low	63	Low	108 Å²	108	85.8 Å²	85.8	41%	0.408	40%	0.403	S	S	.	.	I	π-helix	trans	-64.4	-39.6	179.2	-49.4	-136.9	169.6	151.1	0.2	112.5	L204 T205 W212 D230 M233	L204-R208 WeakPolarHBondContact O-CG 3.08Å; L204-R208 PolarHBondContact O-N 2.96Å; T205-R208 PolarHBondContact O-N 2.9Å; R208-W212 HydrophobicContact CB-CE3 4.03Å; R208-W212 HydrophobicContact CB-CZ3 4.16Å; R208-W212 HydrophobicContact CG-CE3 3.83Å; R208-W212 HydrophobicContact CG-CH2 3.84Å; R208-W212 HydrophobicContact CG-CZ2 4.49Å; R208-W212 HydrophobicContact CG-CZ3 3.46Å; R208-W212 VanDerWaalsContact CG-CZ3 3.46Å; R208-W212 VanDerWaalsContact NE-CH2 3.26Å; R208-W212 VanDerWaalsContact NE-CZ3 3.29Å; R208-D230 IonicContact CZ-OD2 2.78Å; R208-D230 IonicContact NH2-OD2 2.61Å; R208-D230 PolarHBondContact NH2-OD2 2.76Å; R208-M233 PolarHBondContact NH2-SD 2.86Å
209	M	66.3	Low	64.4	Low	116 Å²	116	81.5 Å²	81.5	57%	0.571	38%	0.377	S	S	*	.	I	π-helix	trans	-82.5	-36.7	-174	-74.5	-103.8	54.8	0	0	114.4	T205 L207	T205-M209 HydrophobicContact CG2-CG 4.11Å; T205-M209 WeakPolarHBondContact O-CB 3.42Å; T205-M209 WeakPolarHBondContact O-CG 3.45Å; T205-M209 PolarHBondContact O-N 3.04Å; L207-M209 PolarHBondContact O-N 3.44Å
210	Y	67.1	Low	65.4	Low	134 Å²	134	81.9 Å²	81.9	53%	0.525	38%	0.379	S	S	.	.	I	π-helix	trans	-123.5	-40.9	-169	-57.7	-72.1	0	0	0	113.7	N206 Y214	N206-Y210 HydrophobicContact CB-CD2 4.46Å; N206-Y210 PolarHBondContact O-N 2.87Å; Y210-Y214 WeakPolarHBondContact O-CB 3.46Å
211	V	69.6	Low	66.6	Low	27 Å²	27	86.1 Å²	86.1	16%	0.164	40%	0.398	C	S	.	.	I	π-helix	trans	-81.9	-52.2	-172.5	-175.3	0	0	0	0	111.1	N206 L207 Y214 L215 Y1107	N206-V211 PolarHBondContact O-N 2.77Å; L207-V211 HydrophobicContact CD2-CB 3.97Å; L207-V211 HydrophobicContact CD2-CG1 4.1Å; L207-V211 HydrophobicContact CD2-CG2 4.04Å; L207-V211 PolarHBondContact O-N 2.79Å; V211-Y214 PolarHBondContact O-N 3.16Å; V211-L215 HydrophobicContact CG1-CD1 4.28Å; V211-L215 WeakPolarHBondContact O-CB 3.38Å; V211-L215 PolarHBondContact O-N 3.15Å; V211-Y1107 HydrophobicContact CG2-CE1 3.91Å
212	W	78.2	Confident	67.7	Low	46 Å²	46	84.6 Å²	84.6	17%	0.174	39%	0.393	C	S	.	.	H	α-helix	trans	-60	-43.9	-176.2	-62.1	-12.6	0	0	0	113.5	L204 L207 R208 Y214 L215 Q216 I228	L204-W212 HydrophobicContact CD2-CZ2 4.46Å; L207-W212 HydrophobicContact CB-CZ2 4.29Å; L207-W212 WeakPolarHBondContact O-CB 3.3Å; L207-W212 VanDerWaalsContact O-CG 3.27Å; L207-W212 PolarHBondContact O-N 2.76Å; R208-W212 HydrophobicContact CB-CE3 4.03Å; R208-W212 HydrophobicContact CB-CZ3 4.16Å; R208-W212 HydrophobicContact CG-CE3 3.83Å; R208-W212 HydrophobicContact CG-CH2 3.84Å; R208-W212 HydrophobicContact CG-CZ2 4.49Å; R208-W212 HydrophobicContact CG-CZ3 3.46Å; R208-W212 VanDerWaalsContact CG-CZ3 3.46Å; R208-W212 VanDerWaalsContact NE-CH2 3.26Å; R208-W212 VanDerWaalsContact NE-CZ3 3.29Å; W212-Y214 VanDerWaalsContact C-N 3.34Å; W212-Y214 PolarHBondContact O-N 3.13Å; W212-L215 PolarHBondContact O-N 2.75Å; W212-Q216 WeakPolarHBondContact O-CB 3.26Å; W212-Q216 PolarHBondContact O-N 3.06Å; W212-I228 HydrophobicContact CB-CD1 3.9Å; W212-I228 HydrophobicContact CD2-CD1 3.67Å; W212-I228 HydrophobicContact CE3-CD1 4.22Å; W212-I228 HydrophobicContact CG-CD1 3.48Å; W212-I228 VanDerWaalsContact CG-CD1 3.48Å; W212-I228 HydrophobicContact CH2-CG2 4.26Å; W212-I228 HydrophobicContact CZ2-CG2 3.75Å
213	P	74	Confident	68.5	Low	68 Å²	68	81 Å²	81	44%	0.442	39%	0.387	S	S	.	.	H	α-helix	trans	-62.6	-38.7	175.9	-23.1	35	0	0	0	113.1	R217	P213-R217 WeakPolarHBondContact O-CB 3.16Å; P213-R217 PolarHBondContact O-N 3.02Å
214	Y	73.9	Confident	69.3	Low	156 Å²	156	80.2 Å²	80.2	61%	0.612	38%	0.382	S	S	*	.	H	α-helix	trans	-71	-40.5	178.6	-179.2	-106.2	0	0	0	112.3	Y210 V211 W212 R217 I218	Y210-Y214 WeakPolarHBondContact O-CB 3.46Å; V211-Y214 PolarHBondContact O-N 3.16Å; W212-Y214 VanDerWaalsContact C-N 3.34Å; W212-Y214 PolarHBondContact O-N 3.13Å; Y214-R217 PolarHBondContact O-N 3.47Å; Y214-I218 HydrophobicContact CD1-CD1 3.96Å; Y214-I218 HydrophobicContact CE1-CD1 3.42Å; Y214-I218 VanDerWaalsContact CE1-CD1 3.42Å; Y214-I218 HydrophobicContact CE2-CD1 4.25Å; Y214-I218 WeakPolarHBondContact O-CG1 3.39Å; Y214-I218 PolarHBondContact O-N 2.8Å
215	L	72.1	Confident	70	Confident	49 Å²	49	82.2 Å²	82.2	26%	0.257	40%	0.395	S	S	.	.	H	α-helix	trans	-67	-42.9	175.3	-130.3	165.9	0	0	0	110.7	L189 I191 V211 W212 R217 I218 C219 L226	L189-L215 HydrophobicContact CD2-CD2 4.28Å; I191-L215 HydrophobicContact CD1-CD1 3.59Å; I191-L215 HydrophobicContact CD1-CD2 3.93Å; I191-L215 HydrophobicContact CD1-CG 4.41Å; V211-L215 HydrophobicContact CG1-CD1 4.28Å; V211-L215 WeakPolarHBondContact O-CB 3.38Å; V211-L215 PolarHBondContact O-N 3.15Å; W212-L215 PolarHBondContact O-N 2.75Å; L215-R217 VanDerWaalsContact C-N 3.33Å; L215-R217 PolarHBondContact O-N 3.21Å; L215-I218 PolarHBondContact O-N 3.03Å; L215-C219 WeakPolarHBondContact O-CB 3.44Å; L215-C219 PolarHBondContact O-N 3.42Å; L215-C219 PolarHBondContact O-SG 3.1Å; L215-L226 HydrophobicContact CB-CD2 3.99Å; L215-L226 HydrophobicContact CD2-CD1 4.33Å; L215-L226 HydrophobicContact CD2-CD2 4.44Å
216	Q	76.8	Confident	70.6	Confident	102 Å²	102	79.7 Å²	79.7	48%	0.477	38%	0.378	S	S	.	.	H	α-helix	trans	-61.2	-41.5	175	-167.7	174.8	19.2	0	0	111.3	W212 C219 N220 L226	W212-Q216 WeakPolarHBondContact O-CB 3.26Å; W212-Q216 PolarHBondContact O-N 3.06Å; Q216-C219 PolarHBondContact O-N 2.8Å; Q216-N220 WeakPolarHBondContact O-CB 3.33Å; Q216-N220 PolarHBondContact O-N 3.36Å; Q216-N220 PolarHBondContact O-ND2 3.11Å; Q216-N220 PolarHBondContact O-OD1 3.4Å; Q216-L226 HydrophobicContact CB-CD2 3.91Å
217	R	75.6	Confident	71.2	Confident	101 Å²	101	80.1 Å²	80.1	38%	0.381	38%	0.381	S	S	.	.	H	α-helix	trans	-60.4	-48.2	172.4	-179.9	179.4	170.8	143.2	19.4	112.1	P213 Y214 L215 C219 N220 E221 E1921	P213-R217 WeakPolarHBondContact O-CB 3.16Å; P213-R217 PolarHBondContact O-N 3.02Å; Y214-R217 PolarHBondContact O-N 3.47Å; L215-R217 VanDerWaalsContact C-N 3.33Å; L215-R217 PolarHBondContact O-N 3.21Å; R217-C219 VanDerWaalsContact C-N 3.32Å; R217-C219 PolarHBondContact O-N 2.73Å; R217-N220 PolarHBondContact O-N 3.01Å; R217-E221 HydrophobicContact CG-CG 4.36Å; R217-E221 IonicContact CZ-OE1 2.69Å; R217-E221 IonicContact NE-OE1 2.75Å; R217-E221 PolarHBondContact NE-OE1 2.86Å; R217-E221 IonicContact NH2-OE1 3.2Å; R217-E221 PolarHBondContact NH2-OE1 3.18Å; R217-E221 VanDerWaalsContact NH2-OE1 3.09Å; R217-E221 WeakPolarHBondContact O-CB 3.38Å; R217-E221 WeakPolarHBondContact O-CG 3.36Å; R217-E221 PolarHBondContact O-N 3.39Å; R217-E1921 IonicContact CZ-OE2 2.81Å; R217-E1921 VanDerWaalsContact CZ-OE2 3.28Å; R217-E1921 IonicContact NE-OE2 3.2Å; R217-E1921 IonicContact NH1-OE2 3.95Å; R217-E1921 PolarHBondContact NH1-OE2 3.16Å
218	I	72.3	Confident	71.4	Confident	50 Å²	50	80.4 Å²	80.4	26%	0.256	38%	0.382	S	S	.	.	H	α-helix	trans	-63.3	-37.7	177.7	-73.4	173.9	0	0	0	111.9	Y214 L215 R222	Y214-I218 HydrophobicContact CD1-CD1 3.96Å; Y214-I218 HydrophobicContact CE1-CD1 3.42Å; Y214-I218 VanDerWaalsContact CE1-CD1 3.42Å; Y214-I218 HydrophobicContact CE2-CD1 4.25Å; Y214-I218 WeakPolarHBondContact O-CG1 3.39Å; Y214-I218 PolarHBondContact O-N 2.8Å; L215-I218 PolarHBondContact O-N 3.03Å; I218-R222 WeakPolarHBondContact O-CB 3.31Å; I218-R222 VanDerWaalsContact O-CG 3.31Å; I218-R222 WeakPolarHBondContact O-CG 3.21Å; I218-R222 PolarHBondContact O-N 3.12Å
219	C	73.3	Confident	71	Confident	5 Å²	5	77.9 Å²	77.9	3%	0.034	38%	0.376	C	S	.	.	H	α-helix	trans	-62.7	-51.3	173.7	-73.5	0	0	0	0	110.8	L189 L215 Q216 R217 E221 R222 G223 F224 L226	L189-C219 VanDerWaalsContact CD2-SG 3.53Å; L215-C219 WeakPolarHBondContact O-CB 3.44Å; L215-C219 PolarHBondContact O-N 3.42Å; L215-C219 PolarHBondContact O-SG 3.1Å; Q216-C219 PolarHBondContact O-N 2.8Å; R217-C219 VanDerWaalsContact C-N 3.32Å; R217-C219 PolarHBondContact O-N 2.73Å; C219-E221 PolarHBondContact O-N 2.78Å; C219-R222 CarbonylContact O-C 3.55Å; C219-R222 PolarHBondContact O-N 3.04Å; C219-G223 PolarHBondContact O-N 2.66Å; C219-F224 CarbonylContact C-O 3.52Å; C219-F224 HydrophobicContact CB-CB 3.93Å; C219-F224 WeakPolarHBondContact CB-O 3.48Å; C219-F224 PolarHBondContact O-N 2.86Å; C219-L226 HydrophobicContact CB-CB 4.14Å
220	N	70.4	Confident	70.6	Confident	104 Å²	104	73.2 Å²	73.2	56%	0.556	35%	0.354	S	S	*	.	H	α-helix	trans	-58.2	-46.9	177	-68.2	-12.9	0	0	0	111.9	Q216 R217 R222 G223	Q216-N220 WeakPolarHBondContact O-CB 3.33Å; Q216-N220 PolarHBondContact O-N 3.36Å; Q216-N220 PolarHBondContact O-ND2 3.11Å; Q216-N220 PolarHBondContact O-OD1 3.4Å; R217-N220 PolarHBondContact O-N 3.01Å; N220-R222 PolarHBondContact O-N 2.81Å; N220-R222 VanDerWaalsContact O-N 3.12Å; N220-G223 PolarHBondContact O-N 2.91Å
221	E	70.3	Confident	69.6	Low	126 Å²	126	70.7 Å²	70.7	59%	0.589	35%	0.349	S	S	*	.	H	α-helix	trans	-62.9	-14.9	176.4	-74.7	-179.5	-175.8	0	0	113.5	R217 C219	R217-E221 HydrophobicContact CG-CG 4.36Å; R217-E221 IonicContact CZ-OE1 2.69Å; R217-E221 IonicContact NE-OE1 2.75Å; R217-E221 PolarHBondContact NE-OE1 2.86Å; R217-E221 IonicContact NH2-OE1 3.2Å; R217-E221 PolarHBondContact NH2-OE1 3.18Å; R217-E221 VanDerWaalsContact NH2-OE1 3.09Å; R217-E221 WeakPolarHBondContact O-CB 3.38Å; R217-E221 WeakPolarHBondContact O-CG 3.36Å; R217-E221 PolarHBondContact O-N 3.39Å; C219-E221 PolarHBondContact O-N 2.78Å
222	R	71.2	Confident	68.5	Low	188 Å²	188	72.4 Å²	72.4	71%	0.709	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	5.2	179.2	-66.9	-179	177.1	-166.9	0.4	114.4	I218 C219 N220 F224	I218-R222 WeakPolarHBondContact O-CB 3.31Å; I218-R222 VanDerWaalsContact O-CG 3.31Å; I218-R222 WeakPolarHBondContact O-CG 3.21Å; I218-R222 PolarHBondContact O-N 3.12Å; C219-R222 CarbonylContact O-C 3.55Å; C219-R222 PolarHBondContact O-N 3.04Å; N220-R222 PolarHBondContact O-N 2.81Å; N220-R222 VanDerWaalsContact O-N 3.12Å; R222-F224 HydrophobicContact CB-CD2 3.84Å; R222-F224 HydrophobicContact CB-CE2 4.16Å; R222-F224 WeakPolarHBondContact O-CD2 3.48Å
223	G	68.1	Low	66.5	Low	51 Å²	51	75 Å²	75	53%	0.526	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	34.6	-179.5	0	0	0	0	0	114.4	C219 N220	C219-G223 PolarHBondContact O-N 2.66Å; N220-G223 PolarHBondContact O-N 2.91Å
224	F	69	Low	64.4	Low	66 Å²	66	78.4 Å²	78.4	29%	0.289	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	144.3	172.3	-68.5	-101.9	0	0	0	111.4	R187 L189 C219 R222	R187-F224 HydrophobicContact CB-CD1 3.44Å; R187-F224 VanDerWaalsContact CB-CD1 3.44Å; R187-F224 HydrophobicContact CB-CE1 3.74Å; R187-F224 HydrophobicContact CB-CG 3.96Å; R187-F224 HydrophobicContact CB-CZ 4.47Å; R187-F224 HydrophobicContact CG-CE1 4.46Å; R187-F224 CarbonylContact O-C 3.25Å; R187-F224 WeakPolarHBondContact O-CA 3.49Å; R187-F224 WeakPolarHBondContact O-CB 3.4Å; R187-F224 WeakPolarHBondContact O-CD1 3.36Å; L189-F224 HydrophobicContact CB-CD1 4.37Å; C219-F224 CarbonylContact C-O 3.52Å; C219-F224 HydrophobicContact CB-CB 3.93Å; C219-F224 WeakPolarHBondContact CB-O 3.48Å; C219-F224 PolarHBondContact O-N 2.86Å; R222-F224 HydrophobicContact CB-CD2 3.84Å; R222-F224 HydrophobicContact CB-CE2 4.16Å; R222-F224 WeakPolarHBondContact O-CD2 3.48Å
225	T	72.2	Confident	62.2	Low	57 Å²	57	76.4 Å²	76.4	35%	0.35	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.9	169.9	35.4	0	0	0	0	109.7	R187 Q188 L189	R187-T225 PolarHBondContact O-N 3.49Å; Q188-T225 CarbonylContact C-O 3.52Å; Q188-T225 WeakPolarHBondContact CA-O 3.4Å; Q188-T225 WeakPolarHBondContact CG-OG1 3.03Å; L189-T225 PolarHBondContact N-O 3.35Å
226	L	74.6	Confident	60.1	Low	24 Å²	24	81.8 Å²	81.8	13%	0.126	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	117.6	-176.7	178.5	63.2	0	0	0	111.6	L189 I191 L215 Q216 C219 I228	L189-L226 HydrophobicContact CD2-CD1 4.16Å; I191-L226 HydrophobicContact CD1-CD1 3.71Å; I191-L226 HydrophobicContact CG1-CD1 4.03Å; L215-L226 HydrophobicContact CB-CD2 3.99Å; L215-L226 HydrophobicContact CD2-CD1 4.33Å; L215-L226 HydrophobicContact CD2-CD2 4.44Å; Q216-L226 HydrophobicContact CB-CD2 3.91Å; C219-L226 HydrophobicContact CB-CB 4.14Å; L226-I228 HydrophobicContact CD1-CG1 4.2Å; L226-I228 HydrophobicContact CD2-CD1 3.88Å; L226-I228 HydrophobicContact CD2-CG1 4.24Å; L226-I228 HydrophobicContact CG-CD1 4.14Å; L226-I228 HydrophobicContact CG-CG1 4.06Å
227	N	71.7	Confident	57.8	Low	58 Å²	58	84 Å²	84	31%	0.31	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.2	168.8	-70.5	-9.4	0	0	0	108.8	L189 Y190 I191	L189-N227 PolarHBondContact O-N 3.4Å; Y190-N227 CarbonylContact C-O 3.55Å; Y190-N227 WeakPolarHBondContact CA-O 3.16Å; Y190-N227 HydrophobicContact CD1-CB 3.74Å; Y190-N227 HydrophobicContact CE1-CB 3.74Å; Y190-N227 WeakPolarHBondContact CE1-ND2 3.44Å; Y190-N227 HydrophobicContact CG-CB 4.37Å; Y190-N227 VanDerWaalsContact CZ-ND2 3.32Å; Y190-N227 PolarHBondContact OH-ND2 3.32Å; I191-N227 PolarHBondContact N-O 2.83Å
228	I	66	Low	55.9	Low	53 Å²	53	88 Å²	88	27%	0.272	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.6	174.1	-63.7	145.8	0	0	0	107.6	I191 V193 W212 L226	I191-I228 WeakPolarHBondContact O-CA 3.4Å; V193-I228 HydrophobicContact CG2-CG2 4.03Å; W212-I228 HydrophobicContact CB-CD1 3.9Å; W212-I228 HydrophobicContact CD2-CD1 3.67Å; W212-I228 HydrophobicContact CE3-CD1 4.22Å; W212-I228 HydrophobicContact CG-CD1 3.48Å; W212-I228 VanDerWaalsContact CG-CD1 3.48Å; W212-I228 HydrophobicContact CH2-CG2 4.26Å; W212-I228 HydrophobicContact CZ2-CG2 3.75Å; L226-I228 HydrophobicContact CD1-CG1 4.2Å; L226-I228 HydrophobicContact CD2-CD1 3.88Å; L226-I228 HydrophobicContact CD2-CG1 4.24Å; L226-I228 HydrophobicContact CG-CD1 4.14Å; L226-I228 HydrophobicContact CG-CG1 4.06Å
229	I	57.9	Low	53.8	Low	54 Å²	54	90.4 Å²	90.4	28%	0.277	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.9	173.1	-62.1	173.6	0	0	0	106.2	Y190 I191 Y192 V193 D231	Y190-I229 HydrophobicContact CD1-CD1 3.79Å; Y190-I229 HydrophobicContact CD1-CG1 4.41Å; Y190-I229 HydrophobicContact CE1-CD1 4.37Å; I191-I229 PolarHBondContact O-N 2.99Å; Y192-I229 CarbonylContact C-O 3.59Å; Y192-I229 WeakPolarHBondContact CA-O 3.42Å; Y192-I229 HydrophobicContact CD1-CB 3.95Å; Y192-I229 HydrophobicContact CD1-CD1 4.21Å; Y192-I229 HydrophobicContact CD1-CG2 3.82Å; Y192-I229 HydrophobicContact CE1-CB 4.16Å; Y192-I229 HydrophobicContact CE1-CD1 3.56Å; Y192-I229 HydrophobicContact CE1-CG1 4.45Å; Y192-I229 HydrophobicContact CE1-CG2 3.96Å; Y192-I229 HydrophobicContact CE2-CD1 4.37Å; Y192-I229 HydrophobicContact CG-CB 4.49Å; V193-I229 PolarHBondContact N-O 2.88Å; I229-D231 WeakPolarHBondContact CG2-OD1 3.35Å
230	D	59	Low	51.7	Low	19 Å²	19	101.3 Å²	101.3	10%	0.102	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	92.3	179.5	-169.2	-23.8	0	0	0	106.3	L204 R208 N232 M233	L204-D230 WeakPolarHBondContact CD2-OD2 3.49Å; R208-D230 IonicContact CZ-OD2 2.78Å; R208-D230 IonicContact NH2-OD2 2.61Å; R208-D230 PolarHBondContact NH2-OD2 2.76Å; D230-N232 PolarHBondContact O-N 3.2Å; D230-M233 HydrophobicContact CB-CB 4.07Å; D230-M233 HydrophobicContact CB-CG 3.9Å; D230-M233 PolarHBondContact O-N 2.68Å; D230-M233 VanDerWaalsContact OD2-CG 3.25Å; D230-M233 WeakPolarHBondContact OD2-CG 3.4Å
231	D	46.4	Very low	49.8	Very low	80 Å²	80	101.1 Å²	101.1	43%	0.428	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-6.1	-171.8	-71.5	-34	0	0	0	112.7	V193 I194 I229	V193-D231 PolarHBondContact O-N 2.85Å; I194-D231 HydrophobicContact CG1-CB 4.46Å; I194-D231 WeakPolarHBondContact CG1-OD2 3.38Å; I229-D231 WeakPolarHBondContact CG2-OD1 3.35Å
232	N	46.4	Very low	48	Very low	63 Å²	63	101.5 Å²	101.5	34%	0.337	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	2.1	177.8	-72.2	-20.6	0	0	0	114.3	A195 M200 D230	A195-N232 PolarHBondContact O-ND2 3.18Å; M200-N232 HydrophobicContact CE-CB 4.02Å; M200-N232 WeakPolarHBondContact CE-ND2 3.37Å; M200-N232 HydrophobicContact SD-CB 3.7Å; M200-N232 PolarHBondContact SD-ND2 3Å; M200-N232 VanDerWaalsContact SD-ND2 3.4Å; D230-N232 PolarHBondContact O-N 3.2Å
233	M	35	Very low	45.7	Very low	102 Å²	102	99.9 Å²	99.9	50%	0.502	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-28.2	-175.1	-79.5	-73.9	95.7	0	0	116.3	R208 D230	R208-M233 PolarHBondContact NH2-SD 2.86Å; D230-M233 HydrophobicContact CB-CB 4.07Å; D230-M233 HydrophobicContact CB-CG 3.9Å; D230-M233 PolarHBondContact O-N 2.68Å; D230-M233 VanDerWaalsContact OD2-CG 3.25Å; D230-M233 WeakPolarHBondContact OD2-CG 3.4Å
234	D	30.1	Very low	43.8	Very low	139 Å²	139	105.7 Å²	105.7	74%	0.743	54%	0.537	S	S	*	.	S	Bend	trans	-103	128.6	-177.9	-86.5	-41.6	0	0	0	112.6
235	T	26.6	Very low	42	Very low	114 Å²	114	107.2 Å²	107.2	70%	0.699	55%	0.552	S	S	*	*			trans	50.3	112.6	154.3	55.9	0	0	0	0	120.2	I237	T235-I237 PolarHBondContact O-N 3.06Å
236	D	29.9	Very low	40	Very low	162 Å²	162	110.6 Å²	110.6	87%	0.866	58%	0.575	S	S	*	*	S	Bend		-56.1	114.2	126.6	-75.5	-64.3	0	0	0	108.2
237	I	28	Very low	38	Very low	148 Å²	148	115.3 Å²	115.3	76%	0.759	60%	0.599	S	S	*	*			trans	164.7	102.4	149.5	-84.7	155.1	0	0	0	111.3	T235	T235-I237 PolarHBondContact O-N 3.06Å
238	E	34.4	Very low	36	Very low	186 Å²	186	120.6 Å²	120.6	87%	0.869	62%	0.624	S	S	*	*			trans	55.4	-176.7	160.1	-62.5	-151.2	150.8	0	0	117.5
239	P	29.9	Very low	34.1	Very low	99 Å²	99	124.7 Å²	124.7	64%	0.643	65%	0.646	S	S	*	*			cis	-130	176.6	-9.4	42.7	-27.3	0	0	0	116
240	R	29	Very low	32.7	Very low	234 Å²	234	127.2 Å²	127.2	88%	0.883	66%	0.664	S	S	*	*			trans	60.6	116.7	165.7	-66.5	175	-176.6	164.6	1.8	116
241	N	29.9	Very low	31.2	Very low	101 Å²	101	131 Å²	131	54%	0.54	69%	0.692	S	S	.	*			cis	56.1	99.1	28.1	-101.3	37.7	0	0	0	115.6
242	Q	31.9	Very low	30.4	Very low	133 Å²	133	132.5 Å²	132.5	62%	0.621	71%	0.708	S	S	*	*			trans	71	176.3	137.5	-59.1	160	-41.8	0	0	119.1
243	L	24.5	Very low	29.5	Very low	154 Å²	154	136.1 Å²	136.1	81%	0.806	73%	0.727	S	S	*	*			trans	75.8	77.8	165.1	-56.5	168.5	0	0	0	118.2
244	M	27.2	Very low	29.3	Very low	173 Å²	173	136.1 Å²	136.1	85%	0.852	74%	0.737	S	S	*	*				-170.3	88.6	107.5	-102	-66.8	149.7	0	0	112.3
245	T	31.8	Very low	29.4	Very low	99 Å²	99	136.8 Å²	136.8	61%	0.607	74%	0.739	S	S	*	*			trans	-73.9	132.6	155.8	46.3	0	0	0	0	109.3	I247	T245-I247 PolarHBondContact O-N 2.82Å
246	P	29	Very low	29.9	Very low	128 Å²	128	136.9 Å²	136.9	83%	0.831	74%	0.735	S	S	*	*			trans	-75.3	67.5	165.2	32.7	-34.1	0	0	0	110.4	M248	P246-M248 PolarHBondContact O-N 3.35Å
247	I	33.3	Very low	30.3	Very low	122 Å²	122	134.5 Å²	134.5	63%	0.626	72%	0.723	S	S	*	*			trans	-79.1	82.2	166.7	-65.4	171.6	0	0	0	108.3	T245	T245-I247 PolarHBondContact O-N 2.82Å
248	M	29.6	Very low	30.9	Very low	170 Å²	170	136 Å²	136	84%	0.837	72%	0.72	S	S	*	*			trans	-135.9	99.4	148.1	-72.4	-169.7	175	0	0	104.2	P246	P246-M248 PolarHBondContact O-N 3.35Å
249	N	26.9	Very low	31.3	Very low	138 Å²	138	134.5 Å²	134.5	74%	0.738	71%	0.713	S	S	*	*	S	Bend	cis	-139.3	158.6	27.2	-53.9	-59.5	0	0	0	110.1
250	T	28.2	Very low	31.7	Very low	108 Å²	108	133.5 Å²	133.5	66%	0.663	70%	0.702	S	S	*	*			cis	-158.5	153.1	12.3	-16	0	0	0	0	112.2
251	S	27.6	Very low	32.8	Very low	97 Å²	97	129.6 Å²	129.6	68%	0.678	69%	0.691	S	S	*	*			trans	62.1	116	151	59.4	0	0	0	0	123
252	C	29.2	Very low	33.6	Very low	113 Å²	113	128.5 Å²	128.5	76%	0.764	68%	0.683	S	S	*	*			trans	75.7	148.3	136	-58.7	0	0	0	0	121.4
253	D	27.9	Very low	34	Very low	139 Å²	139	127 Å²	127	74%	0.743	68%	0.675	S	S	*	*			cis	-167	148	-34.8	-107.8	-41.9	0	0	0	109.6
254	S	30.8	Very low	34.8	Very low	101 Å²	101	123.1 Å²	123.1	71%	0.706	66%	0.655	S	S	*	*			trans	36.7	123.5	162.3	63.9	0	0	0	0	121.3
255	I	32	Very low	35.8	Very low	153 Å²	153	117.9 Å²	117.9	79%	0.785	64%	0.636	S	S	*	*				-177.2	125.1	122.6	-93.5	153	0	0	0	111.2
256	D	36.6	Very low	36.5	Very low	116 Å²	116	119.8 Å²	119.8	62%	0.62	63%	0.632	S	S	*	*			trans	49.6	72.1	153.5	-54.6	-14.4	0	0	0	122.1	Y258 E259	D256-Y258 PolarHBondContact O-N 2.9Å; D256-E259 PolarHBondContact O-N 3.16Å
257	D	38.4	Very low	37	Very low	113 Å²	113	121.3 Å²	121.3	60%	0.604	62%	0.621	S	S	*	*	H	α-helix	trans	-48.1	-16	157.6	-114.5	-25	0	0	0	115.1	K261	D257-K261 PolarHBondContact O-N 2.81Å
258	Y	40.7	Very low	37.5	Very low	180 Å²	180	121.2 Å²	121.2	71%	0.706	62%	0.619	S	S	*	*	H	α-helix	trans	-70.8	-42.5	-178.7	-148.6	-85	0	0	0	111.8	D256 L260 K261 E262	D256-Y258 PolarHBondContact O-N 2.9Å; Y258-L260 VanDerWaalsContact C-N 3.31Å; Y258-L260 PolarHBondContact O-N 3.07Å; Y258-K261 PolarHBondContact O-N 3.28Å; Y258-E262 WeakPolarHBondContact O-CB 3.31Å; Y258-E262 PolarHBondContact O-N 2.89Å
259	E	42.9	Very low	38	Very low	153 Å²	153	118.4 Å²	118.4	72%	0.715	60%	0.602	S	S	*	*	H	α-helix	trans	-63.7	-38.4	176.8	-70.4	-157.7	137.8	0	0	111.4	D256 E262 H263	D256-E259 PolarHBondContact O-N 3.16Å; E259-E262 PolarHBondContact O-N 2.86Å; E259-H263 WeakPolarHBondContact O-CB 3.46Å; E259-H263 PolarHBondContact O-N 2.87Å
260	L	39.3	Very low	38.6	Very low	78 Å²	78	116.1 Å²	116.1	41%	0.408	59%	0.587	S	S	.	*	H	α-helix	trans	-65	-42.2	178.1	-171.8	65.7	0	0	0	111.3	Y258 H263 L264	Y258-L260 VanDerWaalsContact C-N 3.31Å; Y258-L260 PolarHBondContact O-N 3.07Å; L260-H263 PolarHBondContact O-N 3.28Å; L260-L264 HydrophobicContact CG-CD1 4.13Å; L260-L264 VanDerWaalsContact O-CB 3.31Å; L260-L264 WeakPolarHBondContact O-CB 3.36Å; L260-L264 VanDerWaalsContact O-CG 3.23Å; L260-L264 WeakPolarHBondContact O-CG 3.39Å; L260-L264 PolarHBondContact O-N 2.92Å
261	K	50.1	Low	39.2	Very low	153 Å²	153	117.1 Å²	117.1	67%	0.665	58%	0.582	S	S	*	*	H	α-helix	trans	-65.7	-41.1	173.9	-82.5	-179.9	173.7	173.9	0	112.7	D257 Y258 L264 S265	D257-K261 PolarHBondContact O-N 2.81Å; Y258-K261 PolarHBondContact O-N 3.28Å; K261-L264 PolarHBondContact O-N 3.27Å; K261-S265 WeakPolarHBondContact O-CB 3.49Å; K261-S265 PolarHBondContact O-N 2.64Å
262	E	48	Very low	39.6	Very low	77 Å²	77	117.1 Å²	117.1	36%	0.36	58%	0.575	S	S	.	*	H	α-helix	trans	-67.3	-40	176.7	-162.7	178	135.1	0	0	111.6	Y258 E259 S265 R266	Y258-E262 WeakPolarHBondContact O-CB 3.31Å; Y258-E262 PolarHBondContact O-N 2.89Å; E259-E262 PolarHBondContact O-N 2.86Å; E262-S265 PolarHBondContact O-N 2.95Å; E262-S265 PolarHBondContact O-OG 3.12Å; E262-R266 WeakPolarHBondContact O-CB 3.47Å; E262-R266 WeakPolarHBondContact O-CG 3.36Å; E262-R266 PolarHBondContact O-N 3.4Å; E262-R266 IonicContact OE1-CZ 2.68Å; E262-R266 IonicContact OE1-NH1 2.77Å; E262-R266 PolarHBondContact OE1-NH1 3.14Å; E262-R266 IonicContact OE1-NH2 2.69Å; E262-R266 PolarHBondContact OE1-NH2 2.87Å
263	H	40.8	Very low	39.8	Very low	101 Å²	101	114.8 Å²	114.8	47%	0.468	55%	0.552	S	S	.	*	H	α-helix	trans	-68.5	-38	176.2	-167.3	-12.2	0	0	0	112	E259 L260 R267	E259-H263 WeakPolarHBondContact O-CB 3.46Å; E259-H263 PolarHBondContact O-N 2.87Å; L260-H263 PolarHBondContact O-N 3.28Å; H263-R267 WeakPolarHBondContact O-CB 3.5Å; H263-R267 PolarHBondContact O-N 3.21Å
264	L	40.3	Very low	40.1	Very low	74 Å²	74	113.1 Å²	113.1	39%	0.387	54%	0.542	S	S	.	.	H	α-helix	trans	-68.3	-37.5	173	-74.3	170	0	0	0	112	L260 K261 R267 M268	L260-L264 HydrophobicContact CG-CD1 4.13Å; L260-L264 VanDerWaalsContact O-CB 3.31Å; L260-L264 WeakPolarHBondContact O-CB 3.36Å; L260-L264 VanDerWaalsContact O-CG 3.23Å; L260-L264 WeakPolarHBondContact O-CG 3.39Å; L260-L264 PolarHBondContact O-N 2.92Å; K261-L264 PolarHBondContact O-N 3.27Å; L264-R267 PolarHBondContact O-N 3.24Å; L264-M268 PolarHBondContact O-N 3.31Å
265	S	48.6	Very low	40.2	Very low	62 Å²	62	112.6 Å²	112.6	43%	0.434	53%	0.531	S	S	.	.	H	α-helix	trans	-68.3	-39.4	174.7	81.9	0	0	0	0	111.9	K261 E262 M268 K269	K261-S265 WeakPolarHBondContact O-CB 3.49Å; K261-S265 PolarHBondContact O-N 2.64Å; E262-S265 PolarHBondContact O-N 2.95Å; E262-S265 PolarHBondContact O-OG 3.12Å; S265-M268 PolarHBondContact O-N 3.24Å; S265-K269 PolarHBondContact O-N 2.82Å
266	R	46.2	Very low	40.1	Very low	140 Å²	140	107.5 Å²	107.5	53%	0.528	51%	0.509	S	S	.	.	H	α-helix	trans	-59.1	-46	168.4	-77.3	-173.6	175.9	104.8	14.7	111.5	E262 K269 Q270	E262-R266 WeakPolarHBondContact O-CB 3.47Å; E262-R266 WeakPolarHBondContact O-CG 3.36Å; E262-R266 PolarHBondContact O-N 3.4Å; E262-R266 IonicContact OE1-CZ 2.68Å; E262-R266 IonicContact OE1-NH1 2.77Å; E262-R266 PolarHBondContact OE1-NH1 3.14Å; E262-R266 IonicContact OE1-NH2 2.69Å; E262-R266 PolarHBondContact OE1-NH2 2.87Å; R266-K269 PolarHBondContact O-N 3.39Å; R266-Q270 WeakPolarHBondContact O-CB 3.48Å; R266-Q270 VanDerWaalsContact O-CG 3.31Å; R266-Q270 WeakPolarHBondContact O-CG 3.39Å; R266-Q270 PolarHBondContact O-N 3.19Å
267	R	40.1	Very low	39.8	Very low	159 Å²	159	106.5 Å²	106.5	60%	0.6	50%	0.503	S	S	*	.	H	α-helix	trans	-64.1	-37.7	176.3	-99.4	-179.5	165.6	164.6	-3.8	113	H263 L264 K271	H263-R267 WeakPolarHBondContact O-CB 3.5Å; H263-R267 PolarHBondContact O-N 3.21Å; L264-R267 PolarHBondContact O-N 3.24Å; R267-K271 VanDerWaalsContact O-CB 3.23Å; R267-K271 WeakPolarHBondContact O-CB 3.44Å; R267-K271 PolarHBondContact O-N 2.97Å
268	M	43.1	Very low	39.5	Very low	120 Å²	120	106.5 Å²	106.5	59%	0.591	50%	0.502	S	S	*	.	H	α-helix	trans	-65.7	-48.2	173.6	-84.2	-66.4	-156.5	0	0	111.7	L264 S265 Q270 K271 N272	L264-M268 PolarHBondContact O-N 3.31Å; S265-M268 PolarHBondContact O-N 3.24Å; M268-Q270 PolarHBondContact O-N 3.4Å; M268-K271 PolarHBondContact O-N 2.91Å; M268-N272 PolarHBondContact O-N 2.9Å
269	K	41.1	Very low	39.2	Very low	112 Å²	112	103.1 Å²	103.1	49%	0.487	50%	0.495	S	S	.	.	H	α-helix	trans	-56.7	-48.6	173	-78.2	-167	174.4	-167.5	0	110.8	S265 R266 K271 N272 F273	S265-K269 PolarHBondContact O-N 2.82Å; R266-K269 PolarHBondContact O-N 3.39Å; K269-K271 PolarHBondContact O-N 3.12Å; K269-N272 PolarHBondContact O-N 2.75Å; K269-F273 WeakPolarHBondContact O-CB 3.36Å; K269-F273 PolarHBondContact O-N 3.46Å
270	Q	39.3	Very low	38.5	Very low	89 Å²	89	100.9 Å²	100.9	42%	0.416	49%	0.488	S	S	.	.	H	α-helix	trans	-61.7	-39.4	176.7	-76.6	174.9	-39.9	0	0	113.1	R266 M268 F273 L274	R266-Q270 WeakPolarHBondContact O-CB 3.48Å; R266-Q270 VanDerWaalsContact O-CG 3.31Å; R266-Q270 WeakPolarHBondContact O-CG 3.39Å; R266-Q270 PolarHBondContact O-N 3.19Å; M268-Q270 PolarHBondContact O-N 3.4Å; Q270-F273 CarbonylContact O-C 3.52Å; Q270-F273 WeakPolarHBondContact O-CB 3.47Å; Q270-F273 PolarHBondContact O-N 2.97Å; Q270-L274 WeakPolarHBondContact O-CB 3.37Å; Q270-L274 PolarHBondContact O-N 3.3Å
271	K	40.1	Very low	38.1	Very low	130 Å²	130	101.2 Å²	101.2	57%	0.565	50%	0.497	S	S	*	.	H	α-helix	trans	-65.9	-41.9	178.1	-169.4	-178.8	-177.3	-170.6	0	111.4	R267 M268 K269 F273 L274 N275	R267-K271 VanDerWaalsContact O-CB 3.23Å; R267-K271 WeakPolarHBondContact O-CB 3.44Å; R267-K271 PolarHBondContact O-N 2.97Å; M268-K271 PolarHBondContact O-N 2.91Å; K269-K271 PolarHBondContact O-N 3.12Å; K271-F273 VanDerWaalsContact C-N 3.33Å; K271-L274 PolarHBondContact O-N 2.87Å; K271-N275 WeakPolarHBondContact O-CB 3.39Å; K271-N275 VanDerWaalsContact O-CG 3.31Å; K271-N275 PolarHBondContact O-N 3.34Å
272	N	36.1	Very low	37	Very low	97 Å²	97	100.7 Å²	100.7	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-67.3	-34.8	174.1	-70	-4	0	0	0	111.9	M268 K269 C276	M268-N272 PolarHBondContact O-N 2.9Å; K269-N272 PolarHBondContact O-N 2.75Å; N272-C276 WeakPolarHBondContact O-CB 3.3Å; N272-C276 PolarHBondContact O-N 2.93Å; N272-C276 PolarHBondContact O-SG 2.98Å
273	F	32.7	Very low	36.2	Very low	63 Å²	63	105 Å²	105	28%	0.276	51%	0.514	S	S	.	.	H	α-helix	trans	-67.2	-38.6	172.7	-153.1	-92.4	0	0	0	112.3	K269 Q270 K271 C276 L277 M462 V526	K269-F273 WeakPolarHBondContact O-CB 3.36Å; K269-F273 PolarHBondContact O-N 3.46Å; Q270-F273 CarbonylContact O-C 3.52Å; Q270-F273 WeakPolarHBondContact O-CB 3.47Å; Q270-F273 PolarHBondContact O-N 2.97Å; K271-F273 VanDerWaalsContact C-N 3.33Å; F273-C276 VanDerWaalsContact O-CB 3.31Å; F273-C276 WeakPolarHBondContact O-CB 3.41Å; F273-C276 PolarHBondContact O-N 3Å; F273-L277 HydrophobicContact CD1-CD1 3.79Å; F273-L277 HydrophobicContact CD1-CG 4.44Å; F273-L277 HydrophobicContact CE1-CD1 4.04Å; F273-L277 PolarHBondContact O-N 3.29Å; F273-M462 HydrophobicContact CD2-CE 3.95Å; F273-M462 HydrophobicContact CE1-CE 4.08Å; F273-M462 HydrophobicContact CE2-CE 3.37Å; F273-M462 HydrophobicContact CZ-CE 3.45Å; F273-M462 VanDerWaalsContact CZ-CE 3.45Å; F273-V526 HydrophobicContact CE1-CG2 4.21Å; F273-V526 HydrophobicContact CZ-CG2 3.78Å
274	L	34.7	Very low	35.7	Very low	105 Å²	105	105.1 Å²	105.1	55%	0.55	53%	0.527	S	S	.	.	H	α-helix	trans	-68.6	-44.5	176.9	-143.8	76.8	0	0	0	111.6	Q270 K271 C276 L277 I278	Q270-L274 WeakPolarHBondContact O-CB 3.37Å; Q270-L274 PolarHBondContact O-N 3.3Å; K271-L274 PolarHBondContact O-N 2.87Å; L274-C276 PolarHBondContact O-N 2.93Å; L274-L277 PolarHBondContact O-N 3.2Å; L274-I278 WeakPolarHBondContact O-CG1 3.24Å; L274-I278 PolarHBondContact O-N 3.4Å
275	N	33.6	Very low	35.2	Very low	89 Å²	89	108.7 Å²	108.7	48%	0.476	55%	0.551	S	S	.	*	H	α-helix	trans	-58.4	-36.3	171.7	-72	-6.6	0	0	0	111.4	K271	K271-N275 WeakPolarHBondContact O-CB 3.39Å; K271-N275 VanDerWaalsContact O-CG 3.31Å; K271-N275 PolarHBondContact O-N 3.34Å
276	C	29	Very low	34.3	Very low	47 Å²	47	108 Å²	108	32%	0.318	56%	0.555	S	S	.	*	H	α-helix	trans	-66.1	-39.6	171.9	-78.3	0	0	0	0	113.4	N272 F273 L274 R458	N272-C276 WeakPolarHBondContact O-CB 3.3Å; N272-C276 PolarHBondContact O-N 2.93Å; N272-C276 PolarHBondContact O-SG 2.98Å; F273-C276 VanDerWaalsContact O-CB 3.31Å; F273-C276 WeakPolarHBondContact O-CB 3.41Å; F273-C276 PolarHBondContact O-N 3Å; L274-C276 PolarHBondContact O-N 2.93Å; C276-R458 PolarHBondContact O-NH2 3.25Å
277	L	30.2	Very low	33.6	Very low	94 Å²	94	106.2 Å²	106.2	49%	0.492	56%	0.561	S	S	.	*	H	α-helix	trans	-70.8	-39.6	-179.4	-81.6	162.8	0	0	0	113	F273 L274 L279 L280	F273-L277 HydrophobicContact CD1-CD1 3.79Å; F273-L277 HydrophobicContact CD1-CG 4.44Å; F273-L277 HydrophobicContact CE1-CD1 4.04Å; F273-L277 PolarHBondContact O-N 3.29Å; L274-L277 PolarHBondContact O-N 3.2Å; L277-L279 PolarHBondContact O-N 3.16Å; L277-L280 PolarHBondContact O-N 3.02Å
278	I	33.4	Very low	33.6	Very low	114 Å²	114	104.4 Å²	104.4	59%	0.585	56%	0.562	S	S	*	*	H	α-helix	trans	-62.9	-26.5	-178.6	-68.9	164.5	0	0	0	112	L274 L280	L274-I278 WeakPolarHBondContact O-CG1 3.24Å; L274-I278 PolarHBondContact O-N 3.4Å; I278-L280 PolarHBondContact O-N 2.82Å; I278-L280 VanDerWaalsContact O-N 3.12Å
279	L	33	Very low	33.7	Very low	108 Å²	108	100.9 Å²	100.9	57%	0.565	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	5.2	179.5	-79	166.6	0	0	0	116	L277 P287	L277-L279 PolarHBondContact O-N 3.16Å; L279-P287 HydrophobicContact CD2-CG 3.93Å
280	L	29.3	Very low	34.1	Very low	106 Å²	106	104.3 Å²	104.3	56%	0.555	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-3.2	-172	-71.5	170.2	0	0	0	116.1	L277 I278	L277-L280 PolarHBondContact O-N 3.02Å; I278-L280 PolarHBondContact O-N 2.82Å; I278-L280 VanDerWaalsContact O-N 3.12Å
281	S	30.3	Very low	35.4	Very low	86 Å²	86	101 Å²	101	60%	0.601	55%	0.55	S	S	*	.			trans	-94.1	-24.9	-167.8	56.7	0	0	0	0	116.6
282	N	27.8	Very low	36.9	Very low	142 Å²	142	97.4 Å²	97.4	76%	0.759	54%	0.539	S	S	*	.			trans	-95.2	116	-164.9	-84.4	-23.9	0	0	0	115.6	S284	N282-S284 PolarHBondContact O-N 3.37Å; N282-S284 VanDerWaalsContact O-N 3.16Å
283	R	30.4	Very low	38.7	Very low	166 Å²	166	99.9 Å²	99.9	63%	0.626	55%	0.548	S	S	*	.	S	Bend	trans	-85.5	52.3	-178.9	-90	-170.7	169.1	-152.3	0.9	115.4	S577	R283-S577 PolarHBondContact NH1-O 3.14Å
284	S	29.9	Very low	40.9	Very low	104 Å²	104	104.1 Å²	104.1	73%	0.727	56%	0.563	S	S	*	*	S	Bend	trans	-159.6	83.7	160.9	56.9	0	0	0	0	113.1	N282	N282-S284 PolarHBondContact O-N 3.37Å; N282-S284 VanDerWaalsContact O-N 3.16Å
285	V	30.6	Very low	42.9	Very low	149 Å²	149	99.6 Å²	99.6	90%	0.903	54%	0.539	S	S	*	.			trans	55.2	69.7	174.1	-163.5	0	0	0	0	112.9
286	G	29.4	Very low	45	Very low	49 Å²	49	98.4 Å²	98.4	51%	0.505	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-62	166.4	167.2	0	0	0	0	0	112.7
287	P	32.1	Very low	47.3	Very low	101 Å²	101	97.6 Å²	97.6	66%	0.656	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-60.7	153.3	179.5	27	-35.1	0	0	0	111.9	L279 V289	L279-P287 HydrophobicContact CD2-CG 3.93Å; P287-V289 PolarHBondContact O-N 2.86Å
288	I	39.7	Very low	49.7	Very low	121 Å²	121	98.8 Å²	98.8	62%	0.621	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-55.5	127	179.5	-66	179	0	0	0	110	Q290 W450	I288-Q290 PolarHBondContact O-N 3.28Å; I288-W450 HydrophobicContact CB-CH2 4.21Å; I288-W450 HydrophobicContact CD1-CH2 4.15Å; I288-W450 HydrophobicContact CG1-CH2 3.91Å; I288-W450 HydrophobicContact CG2-CH2 3.55Å; I288-W450 HydrophobicContact CG2-CZ2 3.75Å
289	V	44.5	Very low	51.8	Low	47 Å²	47	94.8 Å²	94.8	29%	0.285	52%	0.516	S	S	.	.			trans	-62.3	105.8	171.2	178.5	0	0	0	0	108.1	P287 L291	P287-V289 PolarHBondContact O-N 2.86Å; V289-L291 HydrophobicContact CG1-CD2 4.13Å; V289-L291 PolarHBondContact O-N 3Å
290	Q	50.7	Low	54.1	Low	184 Å²	184	90.2 Å²	90.2	86%	0.86	49%	0.492	S	S	*	.			trans	-71.7	99.3	172.3	-68.6	-173.4	-3.1	0	0	108.6	I288	I288-Q290 PolarHBondContact O-N 3.28Å
291	L	65.9	Low	56.6	Low	19 Å²	19	91.3 Å²	91.3	10%	0.099	49%	0.492	C	S	.	.			trans	-70.6	142.7	164.3	-62	179.9	0	0	0	108.7	V289 Q293 L424 I457	V289-L291 HydrophobicContact CG1-CD2 4.13Å; V289-L291 PolarHBondContact O-N 3Å; L291-Q293 PolarHBondContact O-N 2.64Å; L291-L424 HydrophobicContact CB-CD1 4.19Å; L291-L424 HydrophobicContact CB-CD2 3.98Å; L291-L424 HydrophobicContact CD1-CD1 3.99Å; L291-I457 HydrophobicContact CD1-CD1 3.88Å; L291-I457 HydrophobicContact CD1-CG2 4.4Å; L291-I457 HydrophobicContact CD2-CB 4.08Å; L291-I457 HydrophobicContact CD2-CG2 3.74Å
292	P	71.1	Confident	59	Low	54 Å²	54	89.6 Å²	89.6	35%	0.351	48%	0.475	S	S	.	.			trans	-52.9	129.7	174.9	-27.4	35.6	0	0	0	111	Y294 L295 Y411 L461	P292-Y294 WeakPolarHBondContact CB-O 3.32Å; P292-Y294 PolarHBondContact O-N 3.01Å; P292-L295 HydrophobicContact CB-CD2 3.92Å; P292-L295 HydrophobicContact CB-CG 4.34Å; P292-L295 HydrophobicContact CG-CD2 4.09Å; P292-Y411 VanDerWaalsContact O-CE1 3.24Å; P292-Y411 WeakPolarHBondContact O-CE1 3.39Å; P292-Y411 PolarHBondContact O-OH 3.13Å; P292-L461 HydrophobicContact CG-CD1 4.22Å
293	Q	75.1	Confident	61.5	Low	150 Å²	150	82.9 Å²	82.9	70%	0.701	44%	0.438	S	S	*	.	S	Bend	trans	-64.8	-24.7	-178.2	-67	-177.1	-0.4	0	0	112.6	L291 L424	L291-Q293 PolarHBondContact O-N 2.64Å; Q293-L424 PolarHBondContact O-N 2.96Å
294	Y	77.7	Confident	64	Low	152 Å²	152	77.5 Å²	77.5	60%	0.596	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	144.8	177.3	50.7	-91.4	0	0	0	109.5	P292 S422	P292-Y294 WeakPolarHBondContact CB-O 3.32Å; P292-Y294 PolarHBondContact O-N 3.01Å; Y294-S422 WeakPolarHBondContact CA-O 3.07Å
295	L	76.6	Confident	66.5	Low	9 Å²	9	76.9 Å²	76.9	5%	0.047	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.6	168.8	-74.2	179	0	0	0	109.7	P292 L299 I300 Y411 S422 L461	P292-L295 HydrophobicContact CB-CD2 3.92Å; P292-L295 HydrophobicContact CB-CG 4.34Å; P292-L295 HydrophobicContact CG-CD2 4.09Å; L295-L299 HydrophobicContact CD2-CD2 4.26Å; L295-I300 HydrophobicContact CB-CD1 3.96Å; L295-I300 HydrophobicContact CB-CG1 3.96Å; L295-I300 HydrophobicContact CD1-CD1 4.49Å; L295-I300 HydrophobicContact CD1-CG1 4.17Å; L295-Y411 HydrophobicContact CB-CD1 4.15Å; L295-Y411 HydrophobicContact CB-CE1 4.12Å; L295-Y411 HydrophobicContact CD1-CD1 4.01Å; L295-Y411 HydrophobicContact CD1-CD2 3.89Å; L295-Y411 HydrophobicContact CD1-CE1 3.68Å; L295-Y411 HydrophobicContact CD1-CE2 3.55Å; L295-Y411 HydrophobicContact CD1-CG 4.11Å; L295-Y411 VanDerWaalsContact CD1-CZ 3.43Å; L295-Y411 HydrophobicContact CG-CD1 4.09Å; L295-Y411 HydrophobicContact CG-CE1 3.61Å; L295-Y411 HydrophobicContact CG-CE2 4.39Å; L295-S422 PolarHBondContact N-O 3.16Å; L295-S422 PolarHBondContact O-N 2.84Å; L295-L461 HydrophobicContact CD1-CD2 4.2Å; L295-L461 HydrophobicContact CD2-CD2 4.03Å
296	P	78.8	Confident	69.1	Low	64 Å²	64	71.1 Å²	71.1	42%	0.416	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136	171.8	-21.5	32.9	0	0	0	111.4	N298 L299 I300 D420	P296-N298 PolarHBondContact O-N 2.71Å; P296-N298 VanDerWaalsContact O-N 3.16Å; P296-L299 HydrophobicContact CB-CB 4.14Å; P296-L299 HydrophobicContact CG-CB 4.37Å; P296-L299 WeakPolarHBondContact O-CA 3.38Å; P296-L299 WeakPolarHBondContact O-CB 3.27Å; P296-L299 PolarHBondContact O-N 3.34Å; P296-I300 PolarHBondContact O-N 2.72Å; P296-I300 VanDerWaalsContact O-N 3.07Å; P296-D420 CarbonylContact C-O 3.57Å; P296-D420 WeakPolarHBondContact CA-O 3.36Å
297	N	77.8	Confident	71.5	Confident	30 Å²	30	68.8 Å²	68.8	16%	0.16	35%	0.348	C	S	.	.	H	α-helix	trans	-60.9	-27.3	179.3	-73	-21.2	0	0	0	112.5	K301 P419 D420 I421 S422	N297-K301 WeakPolarHBondContact O-CG 3.45Å; N297-K301 PolarHBondContact O-N 3.07Å; N297-P419 PolarHBondContact ND2-O 3.48Å; N297-D420 WeakPolarHBondContact CB-O 3.49Å; N297-D420 PolarHBondContact N-O 2.91Å; N297-D420 VanDerWaalsContact ND2-C 3.31Å; N297-I421 PolarHBondContact ND2-N 3.08Å; N297-S422 WeakPolarHBondContact OD1-CB 3.4Å; N297-S422 PolarHBondContact OD1-N 3.38Å; N297-S422 VanDerWaalsContact OD1-N 3.13Å; N297-S422 PolarHBondContact OD1-OG 2.99Å
298	N	79.2	Confident	73.9	Confident	120 Å²	120	68.3 Å²	68.3	64%	0.642	34%	0.34	S	S	*	.	H	α-helix	trans	-71.5	-36.3	171.9	-69.2	-15.9	0	0	0	112.8	P296 K301 Q302	P296-N298 PolarHBondContact O-N 2.71Å; P296-N298 VanDerWaalsContact O-N 3.16Å; N298-K301 PolarHBondContact O-N 3.28Å; N298-Q302 WeakPolarHBondContact O-CB 3.44Å; N298-Q302 PolarHBondContact O-N 3.05Å
299	L	78.1	Confident	75.9	Confident	29 Å²	29	68.6 Å²	68.6	15%	0.152	34%	0.338	C	S	.	.	H	α-helix	trans	-70	-40.2	177.2	-175.9	61.3	0	0	0	110.8	L295 P296 K301 Q302 I303	L295-L299 HydrophobicContact CD2-CD2 4.26Å; P296-L299 HydrophobicContact CB-CB 4.14Å; P296-L299 HydrophobicContact CG-CB 4.37Å; P296-L299 WeakPolarHBondContact O-CA 3.38Å; P296-L299 WeakPolarHBondContact O-CB 3.27Å; P296-L299 PolarHBondContact O-N 3.34Å; L299-K301 VanDerWaalsContact C-N 3.32Å; L299-K301 PolarHBondContact O-N 3.36Å; L299-Q302 PolarHBondContact O-N 2.87Å; L299-I303 HydrophobicContact CD1-CD1 4.09Å; L299-I303 HydrophobicContact CD1-CG1 4.23Å; L299-I303 HydrophobicContact CG-CD1 3.83Å; L299-I303 HydrophobicContact CG-CG1 4.4Å; L299-I303 WeakPolarHBondContact O-CB 3.43Å; L299-I303 WeakPolarHBondContact O-CG1 3.27Å; L299-I303 PolarHBondContact O-N 3.16Å
300	I	80.6	Confident	77.7	Confident	13 Å²	13	68.2 Å²	68.2	7%	0.067	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-42.8	173	-63.3	175.1	0	0	0	110.9	L295 P296 K304 L407 Y411	L295-I300 HydrophobicContact CB-CD1 3.96Å; L295-I300 HydrophobicContact CB-CG1 3.96Å; L295-I300 HydrophobicContact CD1-CD1 4.49Å; L295-I300 HydrophobicContact CD1-CG1 4.17Å; P296-I300 PolarHBondContact O-N 2.72Å; P296-I300 VanDerWaalsContact O-N 3.07Å; I300-K304 HydrophobicContact CG2-CD 4.42Å; I300-K304 WeakPolarHBondContact O-CB 3.37Å; I300-K304 WeakPolarHBondContact O-CG 3.38Å; I300-K304 PolarHBondContact O-N 3.15Å; I300-L407 HydrophobicContact CG2-CB 4.29Å; I300-L407 HydrophobicContact CG2-CD1 4.4Å; I300-Y411 HydrophobicContact CD1-CG 4.31Å
301	K	81.8	Confident	79.1	Confident	128 Å²	128	60 Å²	60	56%	0.557	30%	0.296	S	S	*	.	H	α-helix	trans	-63.6	-43.7	174.9	-74.1	171.9	-177.7	175.3	0	112.7	N297 N298 L299 K304 N305	N297-K301 WeakPolarHBondContact O-CG 3.45Å; N297-K301 PolarHBondContact O-N 3.07Å; N298-K301 PolarHBondContact O-N 3.28Å; L299-K301 VanDerWaalsContact C-N 3.32Å; L299-K301 PolarHBondContact O-N 3.36Å; K301-K304 WeakPolarHBondContact O-CB 3.49Å; K301-K304 PolarHBondContact O-N 2.92Å; K301-N305 VanDerWaalsContact O-CG 3.3Å; K301-N305 PolarHBondContact O-N 2.9Å; K301-N305 PolarHBondContact O-OD1 2.86Å
302	Q	80.2	Confident	79.9	Confident	51 Å²	51	65.2 Å²	65.2	24%	0.238	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-49.5	177	-176.8	173.4	6.1	0	0	111.2	N298 L299 K304 N305 N306 Q467	N298-Q302 WeakPolarHBondContact O-CB 3.44Å; N298-Q302 PolarHBondContact O-N 3.05Å; L299-Q302 PolarHBondContact O-N 2.87Å; Q302-K304 VanDerWaalsContact C-N 3.28Å; Q302-K304 PolarHBondContact O-N 3.18Å; Q302-N305 PolarHBondContact O-N 2.85Å; Q302-N306 WeakPolarHBondContact O-CB 3.33Å; Q302-N306 PolarHBondContact O-N 2.82Å; Q302-N306 PolarHBondContact O-OD1 2.86Å; Q302-Q467 PolarHBondContact NE2-O 2.99Å
303	I	81.1	Confident	80.4	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.9	-39.6	178	-65.2	169.1	0	0	0	110.9	L299 A307 L407 L460 L461 F464	L299-I303 HydrophobicContact CD1-CD1 4.09Å; L299-I303 HydrophobicContact CD1-CG1 4.23Å; L299-I303 HydrophobicContact CG-CD1 3.83Å; L299-I303 HydrophobicContact CG-CG1 4.4Å; L299-I303 WeakPolarHBondContact O-CB 3.43Å; L299-I303 WeakPolarHBondContact O-CG1 3.27Å; L299-I303 PolarHBondContact O-N 3.16Å; I303-A307 WeakPolarHBondContact O-CB 3.1Å; I303-A307 PolarHBondContact O-N 3.3Å; I303-L407 HydrophobicContact CB-CD1 4.23Å; I303-L407 HydrophobicContact CG2-CD1 3.69Å; I303-L460 HydrophobicContact CG2-CB 3.84Å; I303-L460 HydrophobicContact CG2-CD2 4.4Å; I303-L461 HydrophobicContact CD1-CD2 3.79Å; I303-F464 HydrophobicContact CB-CB 4.31Å; I303-F464 HydrophobicContact CG1-CB 3.94Å; I303-F464 HydrophobicContact CG2-CB 4.25Å; I303-F464 HydrophobicContact CG2-CD2 4.08Å
304	K	83.4	Confident	80.6	Confident	53 Å²	53	60.4 Å²	60.4	23%	0.23	30%	0.296	C	S	.	.	H	α-helix	trans	-60.2	-52.1	173.4	-86.9	178.7	164.5	-169	0	112.9	I300 K301 Q302 A307 L308 P404 D408	I300-K304 HydrophobicContact CG2-CD 4.42Å; I300-K304 WeakPolarHBondContact O-CB 3.37Å; I300-K304 WeakPolarHBondContact O-CG 3.38Å; I300-K304 PolarHBondContact O-N 3.15Å; K301-K304 WeakPolarHBondContact O-CB 3.49Å; K301-K304 PolarHBondContact O-N 2.92Å; Q302-K304 VanDerWaalsContact C-N 3.28Å; Q302-K304 PolarHBondContact O-N 3.18Å; K304-A307 PolarHBondContact O-N 2.91Å; K304-L308 WeakPolarHBondContact O-CB 3.26Å; K304-L308 VanDerWaalsContact O-CG 3.28Å; K304-L308 WeakPolarHBondContact O-CG 3.31Å; K304-L308 PolarHBondContact O-N 3.09Å; K304-P404 HydrophobicContact CG-CB 3.96Å; K304-P404 HydrophobicContact CG-CG 4.38Å; K304-D408 VanDerWaalsContact CE-OD1 3.23Å; K304-D408 WeakPolarHBondContact CE-OD1 3.34Å; K304-D408 WeakPolarHBondContact CE-OD2 3.28Å; K304-D408 IonicContact NZ-OD1 2.62Å; K304-D408 PolarHBondContact NZ-OD1 2.79Å; K304-D408 IonicContact NZ-OD2 2.83Å; K304-D408 PolarHBondContact NZ-OD2 3.46Å
305	N	83	Confident	80.8	Confident	91 Å²	91	58 Å²	58	49%	0.487	29%	0.288	S	S	.	.	H	α-helix	trans	-61.9	-50.4	-176.9	-70	6.4	0	0	0	110.7	K301 Q302 A307 L308 E309	K301-N305 VanDerWaalsContact O-CG 3.3Å; K301-N305 PolarHBondContact O-N 2.9Å; K301-N305 PolarHBondContact O-OD1 2.86Å; Q302-N305 PolarHBondContact O-N 2.85Å; N305-A307 VanDerWaalsContact C-N 3.3Å; N305-A307 PolarHBondContact O-N 3.43Å; N305-L308 WeakPolarHBondContact O-CB 3.35Å; N305-L308 PolarHBondContact O-N 3.49Å; N305-E309 WeakPolarHBondContact O-CG 3.27Å; N305-E309 PolarHBondContact O-N 2.56Å
306	N	83.6	Confident	81	Confident	29 Å²	29	60.2 Å²	60.2	16%	0.155	30%	0.304	C	S	.	.	H	α-helix	trans	-66.8	-33.6	-176	-58.4	22.4	0	0	0	111.4	Q302 E310 F464 Q467	Q302-N306 WeakPolarHBondContact O-CB 3.33Å; Q302-N306 PolarHBondContact O-N 2.82Å; Q302-N306 PolarHBondContact O-OD1 2.86Å; N306-E310 WeakPolarHBondContact O-CB 3.31Å; N306-E310 PolarHBondContact O-N 2.92Å; N306-E310 VanDerWaalsContact O-N 3.1Å; N306-F464 HydrophobicContact CB-CD1 3.45Å; N306-F464 VanDerWaalsContact CB-CD1 3.45Å; N306-F464 HydrophobicContact CB-CE1 3.79Å; N306-F464 HydrophobicContact CB-CG 4.08Å; N306-Q467 PolarHBondContact ND2-OE1 3.05Å
307	A	80	Confident	81	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-69	-33.5	171.2	0	0	0	0	0	113.3	I303 K304 N305 I311 P404 L460 F464	I303-A307 WeakPolarHBondContact O-CB 3.1Å; I303-A307 PolarHBondContact O-N 3.3Å; K304-A307 PolarHBondContact O-N 2.91Å; N305-A307 VanDerWaalsContact C-N 3.3Å; N305-A307 PolarHBondContact O-N 3.43Å; A307-I311 VanDerWaalsContact O-CB 3.28Å; A307-I311 WeakPolarHBondContact O-CB 3.35Å; A307-I311 WeakPolarHBondContact O-CD1 3.49Å; A307-I311 WeakPolarHBondContact O-CG1 3.43Å; A307-I311 PolarHBondContact O-N 2.58Å; A307-I311 VanDerWaalsContact O-N 3.07Å; A307-P404 HydrophobicContact CB-CB 4.07Å; A307-P404 HydrophobicContact CB-CG 4.1Å; A307-L460 HydrophobicContact CB-CD2 4Å; A307-F464 HydrophobicContact CB-CD2 4.24Å; A307-F464 HydrophobicContact CB-CE2 3.58Å; A307-F464 HydrophobicContact CB-CZ 3.97Å
308	L	83.2	Confident	81	Confident	91 Å²	91	60 Å²	60	48%	0.476	30%	0.297	S	S	.	.	H	α-helix	trans	-71.5	-46.1	175.4	-73.6	167.8	0	0	0	111.2	K304 N305 E310 I311 E312 P404	K304-L308 WeakPolarHBondContact O-CB 3.26Å; K304-L308 VanDerWaalsContact O-CG 3.28Å; K304-L308 WeakPolarHBondContact O-CG 3.31Å; K304-L308 PolarHBondContact O-N 3.09Å; N305-L308 WeakPolarHBondContact O-CB 3.35Å; N305-L308 PolarHBondContact O-N 3.49Å; L308-E310 PolarHBondContact O-N 2.83Å; L308-I311 WeakPolarHBondContact O-CB 3.37Å; L308-I311 PolarHBondContact O-N 3.3Å; L308-E312 WeakPolarHBondContact O-CG 3.49Å; L308-E312 PolarHBondContact O-N 2.88Å; L308-P404 HydrophobicContact CD2-CG 4.48Å; L308-P404 HydrophobicContact CG-CG 4.3Å
309	E	81.6	Confident	81	Confident	126 Å²	126	57.9 Å²	57.9	59%	0.589	29%	0.288	S	S	*	.	H	α-helix	trans	-54.9	-51	174.7	-71.8	172.5	179.4	0	0	111.2	N305 I311 E312 D313	N305-E309 WeakPolarHBondContact O-CG 3.27Å; N305-E309 PolarHBondContact O-N 2.56Å; E309-I311 VanDerWaalsContact C-N 3.31Å; E309-I311 PolarHBondContact O-N 2.92Å; E309-E312 WeakPolarHBondContact O-CA 3.49Å; E309-E312 PolarHBondContact O-N 2.83Å; E309-D313 PolarHBondContact O-N 3.41Å
310	E	81.7	Confident	80.9	Confident	40 Å²	40	61.1 Å²	61.1	19%	0.187	30%	0.304	C	S	.	.	H	α-helix	trans	-66.9	-31.1	178.9	-166	-177.8	-132	0	0	112.8	N306 L308 E312 I314 L402 R463 F464	N306-E310 WeakPolarHBondContact O-CB 3.31Å; N306-E310 PolarHBondContact O-N 2.92Å; N306-E310 VanDerWaalsContact O-N 3.1Å; L308-E310 PolarHBondContact O-N 2.83Å; E310-E312 VanDerWaalsContact C-N 3.32Å; E310-I314 HydrophobicContact CG-CD1 4.02Å; E310-I314 WeakPolarHBondContact O-CB 3.17Å; E310-I314 WeakPolarHBondContact O-CD1 3.39Å; E310-I314 WeakPolarHBondContact O-CG1 3.38Å; E310-I314 PolarHBondContact O-N 2.95Å; E310-L402 HydrophobicContact CB-CD1 4.47Å; E310-L402 HydrophobicContact CG-CD1 4.12Å; E310-L402 WeakPolarHBondContact OE2-CD1 3.28Å; E310-L402 VanDerWaalsContact OE2-CD2 3.28Å; E310-L402 WeakPolarHBondContact OE2-CD2 3.37Å; E310-R463 VanDerWaalsContact CD-CZ 3.49Å; E310-R463 IonicContact OE1-CZ 3.73Å; E310-R463 IonicContact OE1-NE 2.72Å; E310-R463 PolarHBondContact OE1-NE 3.17Å; E310-R463 IonicContact OE1-NH2 3.58Å; E310-R463 PolarHBondContact OE1-NH2 2.91Å; E310-R463 WeakPolarHBondContact OE2-CD 3.35Å; E310-R463 IonicContact OE2-CZ 2.71Å; E310-R463 IonicContact OE2-NE 3.44Å; E310-R463 PolarHBondContact OE2-NE 3.45Å; E310-R463 IonicContact OE2-NH2 3.4Å; E310-R463 PolarHBondContact OE2-NH2 3.23Å; E310-F464 HydrophobicContact CB-CZ 4.42Å; E310-F464 WeakPolarHBondContact OE2-CZ 3.29Å
311	I	81.2	Confident	80.7	Confident	12 Å²	12	61.5 Å²	61.5	6%	0.062	31%	0.306	C	S	.	.	H	α-helix	trans	-66.1	-33.9	170.2	-79.1	169.6	0	0	0	111.2	A307 L308 E309 K315 I399 L402	A307-I311 VanDerWaalsContact O-CB 3.28Å; A307-I311 WeakPolarHBondContact O-CB 3.35Å; A307-I311 WeakPolarHBondContact O-CD1 3.49Å; A307-I311 WeakPolarHBondContact O-CG1 3.43Å; A307-I311 PolarHBondContact O-N 2.58Å; A307-I311 VanDerWaalsContact O-N 3.07Å; L308-I311 WeakPolarHBondContact O-CB 3.37Å; L308-I311 PolarHBondContact O-N 3.3Å; E309-I311 VanDerWaalsContact C-N 3.31Å; E309-I311 PolarHBondContact O-N 2.92Å; I311-K315 HydrophobicContact CG2-CD 4.13Å; I311-K315 VanDerWaalsContact CG2-CE 3.44Å; I311-K315 WeakPolarHBondContact O-CB 3.4Å; I311-K315 WeakPolarHBondContact O-CD 3.49Å; I311-K315 WeakPolarHBondContact O-CG 3.37Å; I311-K315 PolarHBondContact O-N 2.89Å; I311-I399 HydrophobicContact CG2-CG2 4.47Å; I311-L402 HydrophobicContact CD1-CB 3.81Å; I311-L402 HydrophobicContact CG1-CB 3.78Å; I311-L402 HydrophobicContact CG1-CD1 4.17Å
312	E	82.7	Confident	80.3	Confident	128 Å²	128	56 Å²	56	60%	0.598	28%	0.284	S	S	*	.	H	α-helix	trans	-73.2	-40.7	174.7	-61.4	-148.1	141.6	0	0	112.6	L308 E309 E310 I314 K315 S316	L308-E312 WeakPolarHBondContact O-CG 3.49Å; L308-E312 PolarHBondContact O-N 2.88Å; E309-E312 WeakPolarHBondContact O-CA 3.49Å; E309-E312 PolarHBondContact O-N 2.83Å; E310-E312 VanDerWaalsContact C-N 3.32Å; E312-I314 PolarHBondContact O-N 2.97Å; E312-K315 WeakPolarHBondContact O-CB 3.41Å; E312-K315 PolarHBondContact O-N 3.37Å; E312-S316 WeakPolarHBondContact O-CB 3.44Å; E312-S316 PolarHBondContact O-N 3.42Å
313	D	81.5	Confident	79.9	Confident	87 Å²	87	60.9 Å²	60.9	47%	0.465	31%	0.307	S	S	.	.	H	α-helix	trans	-58.5	-48.1	171.6	-82.9	-18	0	0	0	111.4	E309 K315 S316 E317	E309-D313 PolarHBondContact O-N 3.41Å; D313-K315 PolarHBondContact O-N 2.88Å; D313-S316 WeakPolarHBondContact O-CB 3.07Å; D313-S316 PolarHBondContact O-N 2.87Å; D313-S316 VanDerWaalsContact O-N 3.1Å; D313-S316 PolarHBondContact O-OG 2.86Å; D313-E317 PolarHBondContact O-N 2.98Å
314	I	79.4	Confident	79.4	Confident	16 Å²	16	66.8 Å²	66.8	8%	0.082	33%	0.332	C	S	.	.	H	α-helix	trans	-68.7	-34.5	179.4	-62.9	166.4	0	0	0	111.4	E310 E312 S316 E317 I318 K395 I398 I399 L402	E310-I314 HydrophobicContact CG-CD1 4.02Å; E310-I314 WeakPolarHBondContact O-CB 3.17Å; E310-I314 WeakPolarHBondContact O-CD1 3.39Å; E310-I314 WeakPolarHBondContact O-CG1 3.38Å; E310-I314 PolarHBondContact O-N 2.95Å; E312-I314 PolarHBondContact O-N 2.97Å; I314-S316 VanDerWaalsContact C-N 3.34Å; I314-E317 PolarHBondContact O-N 3.14Å; I314-I318 HydrophobicContact CG2-CD1 4.27Å; I314-I318 VanDerWaalsContact O-CG1 3.31Å; I314-I318 WeakPolarHBondContact O-CG1 3.31Å; I314-I318 PolarHBondContact O-N 3.11Å; I314-K395 HydrophobicContact CG2-CB 3.73Å; I314-K395 HydrophobicContact CG2-CD 4.49Å; I314-K395 HydrophobicContact CG2-CG 4.18Å; I314-I398 HydrophobicContact CD1-CB 4.45Å; I314-I398 HydrophobicContact CD1-CG2 3.61Å; I314-I399 HydrophobicContact CB-CD1 4.43Å; I314-I399 HydrophobicContact CB-CG1 4.23Å; I314-I399 HydrophobicContact CG2-CD1 3.91Å; I314-I399 HydrophobicContact CG2-CG1 3.79Å; I314-L402 HydrophobicContact CD1-CD1 3.65Å
315	K	80.6	Confident	78.5	Confident	102 Å²	102	64.8 Å²	64.8	44%	0.443	32%	0.324	S	S	.	.	H	α-helix	trans	-59.7	-45	168.6	-77.6	164.1	-173.3	163.2	0	110.6	I311 E312 D313 E317 I318 T319 I399	I311-K315 HydrophobicContact CG2-CD 4.13Å; I311-K315 VanDerWaalsContact CG2-CE 3.44Å; I311-K315 WeakPolarHBondContact O-CB 3.4Å; I311-K315 WeakPolarHBondContact O-CD 3.49Å; I311-K315 WeakPolarHBondContact O-CG 3.37Å; I311-K315 PolarHBondContact O-N 2.89Å; E312-K315 WeakPolarHBondContact O-CB 3.41Å; E312-K315 PolarHBondContact O-N 3.37Å; D313-K315 PolarHBondContact O-N 2.88Å; K315-E317 VanDerWaalsContact C-N 3.34Å; K315-E317 PolarHBondContact O-N 2.7Å; K315-I318 PolarHBondContact O-N 2.86Å; K315-I318 VanDerWaalsContact O-N 3.14Å; K315-T319 PolarHBondContact O-N 3.23Å; K315-T319 PolarHBondContact O-OG1 3.49Å; K315-T319 VanDerWaalsContact O-OG1 3.09Å; K315-I399 HydrophobicContact CG-CD1 4.11Å
316	S	81.6	Confident	77.1	Confident	54 Å²	54	64.8 Å²	64.8	38%	0.378	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-41.4	-179.8	88.9	0	0	0	0	111.9	E312 D313 I314 T319 M320	E312-S316 WeakPolarHBondContact O-CB 3.44Å; E312-S316 PolarHBondContact O-N 3.42Å; D313-S316 WeakPolarHBondContact O-CB 3.07Å; D313-S316 PolarHBondContact O-N 2.87Å; D313-S316 VanDerWaalsContact O-N 3.1Å; D313-S316 PolarHBondContact O-OG 2.86Å; I314-S316 VanDerWaalsContact C-N 3.34Å; S316-T319 VanDerWaalsContact C-OG1 3.29Å; S316-T319 VanDerWaalsContact CA-OG1 3.28Å; S316-T319 WeakPolarHBondContact CA-OG1 3.34Å; S316-T319 PolarHBondContact O-N 3.2Å; S316-T319 PolarHBondContact O-OG1 2.9Å; S316-M320 PolarHBondContact O-N 3.23Å
317	E	78.8	Confident	75.9	Confident	71 Å²	71	65.6 Å²	65.6	33%	0.332	34%	0.344	S	S	.	.	H	α-helix	trans	-68.3	-36.4	173.5	-89.7	-146.6	97.6	0	0	112.9	D313 I314 K315 T319 M320 L321 K395	D313-E317 PolarHBondContact O-N 2.98Å; I314-E317 PolarHBondContact O-N 3.14Å; K315-E317 VanDerWaalsContact C-N 3.34Å; K315-E317 PolarHBondContact O-N 2.7Å; E317-T319 VanDerWaalsContact C-N 3.33Å; E317-M320 PolarHBondContact O-N 2.9Å; E317-L321 WeakPolarHBondContact O-CB 3.47Å; E317-L321 WeakPolarHBondContact O-CG 3.32Å; E317-L321 PolarHBondContact O-N 3.48Å; E317-K395 HydrophobicContact CB-CD 4.33Å; E317-K395 IonicContact OE1-NZ 2.71Å; E317-K395 PolarHBondContact OE1-NZ 2.9Å; E317-K395 IonicContact OE2-NZ 2.71Å; E317-K395 PolarHBondContact OE2-NZ 3.46Å
318	I	78.1	Confident	74.5	Confident	20 Å²	20	68.8 Å²	68.8	10%	0.103	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-42.7	171.8	-73.5	171.2	0	0	0	109.6	I314 K315 L321 S322 I392 K395 I399	I314-I318 HydrophobicContact CG2-CD1 4.27Å; I314-I318 VanDerWaalsContact O-CG1 3.31Å; I314-I318 WeakPolarHBondContact O-CG1 3.31Å; I314-I318 PolarHBondContact O-N 3.11Å; K315-I318 PolarHBondContact O-N 2.86Å; K315-I318 VanDerWaalsContact O-N 3.14Å; I318-L321 PolarHBondContact O-N 3.32Å; I318-S322 WeakPolarHBondContact O-CB 3.23Å; I318-S322 PolarHBondContact O-N 3.12Å; I318-S322 PolarHBondContact O-OG 3.45Å; I318-I392 HydrophobicContact CG2-CG2 4.47Å; I318-K395 HydrophobicContact CD1-CB 3.8Å; I318-K395 HydrophobicContact CG1-CB 3.71Å; I318-K395 HydrophobicContact CG1-CD 4.43Å; I318-I399 HydrophobicContact CD1-CD1 3.62Å
319	T	78	Confident	72.9	Confident	74 Å²	74	71 Å²	71	45%	0.454	37%	0.371	S	S	.	.	H	α-helix	trans	-59.8	-48	173.2	28.3	0	0	0	0	111.9	K315 S316 E317 L321 S322 E323	K315-T319 PolarHBondContact O-N 3.23Å; K315-T319 PolarHBondContact O-OG1 3.49Å; K315-T319 VanDerWaalsContact O-OG1 3.09Å; S316-T319 VanDerWaalsContact C-OG1 3.29Å; S316-T319 VanDerWaalsContact CA-OG1 3.28Å; S316-T319 WeakPolarHBondContact CA-OG1 3.34Å; S316-T319 PolarHBondContact O-N 3.2Å; S316-T319 PolarHBondContact O-OG1 2.9Å; E317-T319 VanDerWaalsContact C-N 3.33Å; T319-L321 VanDerWaalsContact C-N 3.32Å; T319-L321 PolarHBondContact O-N 3.07Å; T319-S322 WeakPolarHBondContact CA-OG 3.44Å; T319-S322 WeakPolarHBondContact O-CA 3.26Å; T319-S322 WeakPolarHBondContact O-CB 3.27Å; T319-S322 PolarHBondContact O-N 3.38Å; T319-S322 PolarHBondContact O-OG 2.96Å; T319-E323 WeakPolarHBondContact O-CG 3.46Å; T319-E323 PolarHBondContact O-N 2.94Å
320	M	77.6	Confident	71.5	Confident	97 Å²	97	67.3 Å²	67.3	48%	0.478	36%	0.358	S	S	.	.	H	α-helix	trans	-65.9	-26.2	177	-79.9	-151.6	-65.9	0	0	114.9	S316 E317 K324	S316-M320 PolarHBondContact O-N 3.23Å; E317-M320 PolarHBondContact O-N 2.9Å; M320-K324 VanDerWaalsContact O-CD 3.25Å; M320-K324 WeakPolarHBondContact O-CD 3.48Å; M320-K324 WeakPolarHBondContact O-CE 3.46Å; M320-K324 VanDerWaalsContact O-CG 3.29Å; M320-K324 WeakPolarHBondContact O-CG 3.43Å
321	L	75.6	Confident	70.2	Confident	22 Å²	22	69.5 Å²	69.5	12%	0.115	38%	0.376	C	S	.	.	H	α-helix	trans	-77.8	-31.5	170	-74.7	170.7	0	0	0	111.7	E317 I318 T319 K324 I388 S391 I392 K395	E317-L321 WeakPolarHBondContact O-CB 3.47Å; E317-L321 WeakPolarHBondContact O-CG 3.32Å; E317-L321 PolarHBondContact O-N 3.48Å; I318-L321 PolarHBondContact O-N 3.32Å; T319-L321 VanDerWaalsContact C-N 3.32Å; T319-L321 PolarHBondContact O-N 3.07Å; L321-K324 PolarHBondContact O-N 3.38Å; L321-I388 HydrophobicContact CB-CG2 4.48Å; L321-S391 WeakPolarHBondContact CD1-OG 3.38Å; L321-I392 HydrophobicContact CB-CD1 4.04Å; L321-I392 HydrophobicContact CB-CG1 3.77Å; L321-I392 HydrophobicContact CD1-CG1 4.21Å; L321-K395 HydrophobicContact CD1-CD 3.85Å
322	S	73.1	Confident	68.8	Low	12 Å²	12	79.1 Å²	79.1	8%	0.084	41%	0.412	C	S	.	.	H	α-helix	trans	-70.3	-39.2	177.7	83.5	0	0	0	0	112.5	I318 T319 K324 L325 F328	I318-S322 WeakPolarHBondContact O-CB 3.23Å; I318-S322 PolarHBondContact O-N 3.12Å; I318-S322 PolarHBondContact O-OG 3.45Å; T319-S322 WeakPolarHBondContact CA-OG 3.44Å; T319-S322 WeakPolarHBondContact O-CA 3.26Å; T319-S322 WeakPolarHBondContact O-CB 3.27Å; T319-S322 PolarHBondContact O-N 3.38Å; T319-S322 PolarHBondContact O-OG 2.96Å; S322-K324 PolarHBondContact O-N 3.37Å; S322-L325 WeakPolarHBondContact O-CB 3.35Å; S322-L325 PolarHBondContact O-N 2.99Å; S322-F328 VanDerWaalsContact CB-CE2 3.45Å; S322-F328 WeakPolarHBondContact O-CD2 3.43Å
323	E	71.5	Confident	67.4	Low	154 Å²	154	74.5 Å²	74.5	72%	0.72	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.9	172	-70.7	171.8	169.6	0	0	112.5	T319	T319-E323 WeakPolarHBondContact O-CG 3.46Å; T319-E323 PolarHBondContact O-N 2.94Å
324	K	70.8	Confident	66.3	Low	123 Å²	123	75.2 Å²	75.2	54%	0.535	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.3	175.4	-67.7	168	-169.7	167.5	0	113.5	M320 L321 S322 P326 I388	M320-K324 VanDerWaalsContact O-CD 3.25Å; M320-K324 WeakPolarHBondContact O-CD 3.48Å; M320-K324 WeakPolarHBondContact O-CE 3.46Å; M320-K324 VanDerWaalsContact O-CG 3.29Å; M320-K324 WeakPolarHBondContact O-CG 3.43Å; L321-K324 PolarHBondContact O-N 3.38Å; S322-K324 PolarHBondContact O-N 3.37Å; K324-P326 WeakPolarHBondContact O-CD 3.35Å; K324-I388 HydrophobicContact CB-CD1 4.44Å
325	L	64.8	Low	65.4	Low	12 Å²	12	83.5 Å²	83.5	6%	0.063	42%	0.422	C	S	.	.	S	Bend	trans	-89.4	109.7	173.2	-79.9	171.4	0	0	0	111.1	S322 G327 F328 M385 I388 I392	S322-L325 WeakPolarHBondContact O-CB 3.35Å; S322-L325 PolarHBondContact O-N 2.99Å; L325-G327 PolarHBondContact O-N 2.86Å; L325-F328 HydrophobicContact CB-CD2 4.18Å; L325-F328 HydrophobicContact CD1-CD2 4.28Å; L325-F328 HydrophobicContact CD1-CE2 4.41Å; L325-F328 PolarHBondContact O-N 3.29Å; L325-M385 HydrophobicContact CD2-CG 4.36Å; L325-I388 HydrophobicContact CD1-CG2 4.32Å; L325-I388 HydrophobicContact CD2-CB 4.28Å; L325-I388 HydrophobicContact CD2-CG2 3.81Å; L325-I388 HydrophobicContact CG-CG2 3.74Å; L325-I392 HydrophobicContact CD1-CD1 3.63Å; L325-I392 HydrophobicContact CG-CD1 4.44Å
326	P	54.2	Low	64	Low	90 Å²	90	85.3 Å²	85.3	58%	0.584	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	119.8	177	26.8	-33.7	0	0	0	110.8	K324 M385	K324-P326 WeakPolarHBondContact O-CD 3.35Å; P326-M385 HydrophobicContact CG-CE 4.28Å
327	G	58.6	Low	62.6	Low	47 Å²	47	83.8 Å²	83.8	49%	0.485	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	28.8	-178.6	0	0	0	0	0	115	L325 D329 S330	L325-G327 PolarHBondContact O-N 2.86Å; G327-D329 PolarHBondContact O-N 2.78Å; G327-S330 WeakPolarHBondContact O-CB 3.47Å; G327-S330 PolarHBondContact O-N 3.03Å
328	F	49.7	Very low	61.7	Low	66 Å²	66	83.7 Å²	83.7	29%	0.289	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-30.8	179.6	-160.8	-107.2	0	0	0	114.6	S322 L325 S330 L337	S322-F328 VanDerWaalsContact CB-CE2 3.45Å; S322-F328 WeakPolarHBondContact O-CD2 3.43Å; L325-F328 HydrophobicContact CB-CD2 4.18Å; L325-F328 HydrophobicContact CD1-CD2 4.28Å; L325-F328 HydrophobicContact CD1-CE2 4.41Å; L325-F328 PolarHBondContact O-N 3.29Å; F328-S330 PolarHBondContact O-N 2.71Å; F328-L337 HydrophobicContact CD2-CD1 4.21Å; F328-L337 HydrophobicContact CE2-CD1 3.23Å; F328-L337 HydrophobicContact CZ-CD1 3.55Å
329	D	49.7	Very low	60.5	Low	139 Å²	139	90.8 Å²	90.8	74%	0.743	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-7.6	175.1	-54.6	-58.2	0	0	0	114.3	G327 P331	G327-D329 PolarHBondContact O-N 2.78Å; D329-P331 VanDerWaalsContact O-CD 3.24Å; D329-P331 WeakPolarHBondContact O-CD 3.29Å
330	S	52.8	Low	59	Low	47 Å²	47	92.5 Å²	92.5	33%	0.329	45%	0.45	S	S	.	.			trans	-59.8	119.3	176.8	175.1	0	0	0	0	111.5	G327 F328 R332 L333 Q334	G327-S330 WeakPolarHBondContact O-CB 3.47Å; G327-S330 PolarHBondContact O-N 3.03Å; F328-S330 PolarHBondContact O-N 2.71Å; S330-R332 PolarHBondContact O-N 2.9Å; S330-R332 PolarHBondContact OG-N 3.16Å; S330-L333 PolarHBondContact O-N 3.36Å; S330-Q334 PolarHBondContact O-N 3.38Å
331	P	54.1	Low	57.4	Low	87 Å²	87	93 Å²	93	57%	0.565	45%	0.454	S	S	*	.	H	α-helix	trans	-60.1	-15.4	174.7	-24.7	35.4	0	0	0	113.2	D329 R335	D329-P331 VanDerWaalsContact O-CD 3.24Å; D329-P331 WeakPolarHBondContact O-CD 3.29Å; P331-R335 VanDerWaalsContact O-CB 3.24Å; P331-R335 WeakPolarHBondContact O-CB 3.47Å; P331-R335 WeakPolarHBondContact O-CG 3.14Å; P331-R335 PolarHBondContact O-N 2.97Å; P331-R335 VanDerWaalsContact O-N 3.09Å
332	R	51.9	Low	55.5	Low	213 Å²	213	93.4 Å²	93.4	80%	0.804	46%	0.463	S	S	*	.	H	α-helix	trans	-79.6	-35.2	174.7	-125.2	176.2	-177.3	172.9	0.3	112.5	S330 R336	S330-R332 PolarHBondContact O-N 2.9Å; S330-R332 PolarHBondContact OG-N 3.16Å; R332-R336 PolarHBondContact O-N 3.2Å
333	L	53.5	Low	53.5	Low	31 Å²	31	97.8 Å²	97.8	16%	0.162	49%	0.494	C	S	.	.	H	α-helix	trans	-73.5	-46.4	170.7	-89.4	165.9	0	0	0	110.3	S330 R335 R336 L337	S330-L333 PolarHBondContact O-N 3.36Å; L333-R335 VanDerWaalsContact C-N 3.28Å; L333-R335 PolarHBondContact O-N 2.99Å; L333-R336 WeakPolarHBondContact O-CA 3.38Å; L333-R336 WeakPolarHBondContact O-CB 3.36Å; L333-R336 PolarHBondContact O-N 3.22Å; L333-L337 HydrophobicContact CB-CD1 4.43Å; L333-L337 WeakPolarHBondContact O-CG 3.41Å; L333-L337 PolarHBondContact O-N 2.95Å
334	Q	57	Low	51.5	Low	102 Å²	102	97 Å²	97	48%	0.477	49%	0.491	S	S	.	.	H	α-helix	trans	-55.7	-40.7	174.1	-67.2	-178.1	-8.4	0	0	112.3	S330 R336 L337 S338	S330-Q334 PolarHBondContact O-N 3.38Å; Q334-R336 VanDerWaalsContact C-N 3.31Å; Q334-R336 PolarHBondContact O-N 3.16Å; Q334-L337 PolarHBondContact O-N 2.8Å; Q334-S338 WeakPolarHBondContact O-CB 3.49Å; Q334-S338 PolarHBondContact O-N 3.4Å; Q334-S338 PolarHBondContact O-OG 3.18Å
335	R	60.8	Low	49.5	Very low	191 Å²	191	97.5 Å²	97.5	72%	0.721	50%	0.504	S	S	*	.	H	α-helix	trans	-71.3	-14.1	173.7	-78.6	177.2	176.8	178.8	1	115.5	P331 L333 S338	P331-R335 VanDerWaalsContact O-CB 3.24Å; P331-R335 WeakPolarHBondContact O-CB 3.47Å; P331-R335 WeakPolarHBondContact O-CG 3.14Å; P331-R335 PolarHBondContact O-N 2.97Å; P331-R335 VanDerWaalsContact O-N 3.09Å; L333-R335 VanDerWaalsContact C-N 3.28Å; L333-R335 PolarHBondContact O-N 2.99Å; R335-S338 WeakPolarHBondContact CA-OG 3.43Å
336	R	52.3	Low	47.8	Very low	139 Å²	139	102 Å²	102	53%	0.525	54%	0.536	S	S	.	.	H	α-helix	trans	-86.1	-51.6	167.5	-78.6	178.4	167.3	-170.4	-4	110.1	R332 L333 Q334 S338 K339 Y340 E389	R332-R336 PolarHBondContact O-N 3.2Å; L333-R336 WeakPolarHBondContact O-CA 3.38Å; L333-R336 WeakPolarHBondContact O-CB 3.36Å; L333-R336 PolarHBondContact O-N 3.22Å; Q334-R336 VanDerWaalsContact C-N 3.31Å; Q334-R336 PolarHBondContact O-N 3.16Å; R336-S338 PolarHBondContact O-N 2.94Å; R336-K339 WeakPolarHBondContact O-CA 3.4Å; R336-K339 WeakPolarHBondContact O-CB 3.35Å; R336-K339 PolarHBondContact O-N 3.42Å; R336-Y340 HydrophobicContact CB-CE2 4.37Å; R336-Y340 WeakPolarHBondContact O-CD2 3.34Å; R336-Y340 PolarHBondContact O-N 3.38Å; R336-E389 IonicContact NH1-OE1 3.77Å; R336-E389 PolarHBondContact NH1-OE1 3.02Å
337	L	52.3	Low	46.5	Very low	22 Å²	22	105 Å²	105	12%	0.115	55%	0.547	C	S	.	.	H	α-helix	trans	-60.9	-41.1	-177.8	-69.2	159.5	0	0	0	112.3	F328 L333 Q334 K339 Y340 L341 I392	F328-L337 HydrophobicContact CD2-CD1 4.21Å; F328-L337 HydrophobicContact CE2-CD1 3.23Å; F328-L337 HydrophobicContact CZ-CD1 3.55Å; L333-L337 HydrophobicContact CB-CD1 4.43Å; L333-L337 WeakPolarHBondContact O-CG 3.41Å; L333-L337 PolarHBondContact O-N 2.95Å; Q334-L337 PolarHBondContact O-N 2.8Å; L337-K339 PolarHBondContact O-N 2.8Å; L337-Y340 CarbonylContact O-C 3.57Å; L337-Y340 PolarHBondContact O-N 2.82Å; L337-L341 WeakPolarHBondContact O-CB 3.43Å; L337-L341 WeakPolarHBondContact O-CG 3.4Å; L337-L341 PolarHBondContact O-N 3.28Å; L337-I392 HydrophobicContact CD2-CG2 3.77Å
338	S	60.3	Low	44.9	Very low	70 Å²	70	105.8 Å²	105.8	49%	0.49	56%	0.555	S	S	.	*	H	α-helix	trans	-62.6	-23.2	172.5	50.1	0	0	0	0	114.3	Q334 R335 R336 G342	Q334-S338 WeakPolarHBondContact O-CB 3.49Å; Q334-S338 PolarHBondContact O-N 3.4Å; Q334-S338 PolarHBondContact O-OG 3.18Å; R335-S338 WeakPolarHBondContact CA-OG 3.43Å; R336-S338 PolarHBondContact O-N 2.94Å; S338-G342 PolarHBondContact O-N 3.37Å; S338-G342 VanDerWaalsContact O-N 3.07Å
339	K	53.1	Low	43.8	Very low	168 Å²	168	108.4 Å²	108.4	73%	0.73	58%	0.581	S	S	*	*	H	α-helix	trans	-79.7	-32.1	170.6	-69.6	-174.2	174.4	-167.3	0	112.8	R336 L337 R400	R336-K339 WeakPolarHBondContact O-CA 3.4Å; R336-K339 WeakPolarHBondContact O-CB 3.35Å; R336-K339 PolarHBondContact O-N 3.42Å; L337-K339 PolarHBondContact O-N 2.8Å; K339-R400 PolarHBondContact O-NH2 3.15Å
340	Y	45.2	Very low	42.7	Very low	110 Å²	110	109.5 Å²	109.5	43%	0.431	59%	0.586	S	S	.	*	H	α-helix	trans	-76.7	-36.3	173.4	-65.7	-65.7	0	0	0	112.1	R336 L337 R400	R336-Y340 HydrophobicContact CB-CE2 4.37Å; R336-Y340 WeakPolarHBondContact O-CD2 3.34Å; R336-Y340 PolarHBondContact O-N 3.38Å; L337-Y340 CarbonylContact O-C 3.57Å; L337-Y340 PolarHBondContact O-N 2.82Å; Y340-R400 PolarHBondContact O-NE 2.84Å; Y340-R400 PolarHBondContact O-NH2 3.4Å
341	L	44.1	Very low	41.4	Very low	107 Å²	107	111.4 Å²	111.4	56%	0.56	60%	0.599	S	S	*	*	H	α-helix	trans	-79.2	-14.6	175	-67.1	167.2	0	0	0	113.9	L337 S343	L337-L341 WeakPolarHBondContact O-CB 3.43Å; L337-L341 WeakPolarHBondContact O-CG 3.4Å; L337-L341 PolarHBondContact O-N 3.28Å; L341-S343 PolarHBondContact O-N 3.37Å
342	G	35.4	Very low	40.1	Very low	31 Å²	31	115.7 Å²	115.7	32%	0.32	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	60.4	47.4	146.3	0	0	0	0	0	118.3	S338	S338-G342 PolarHBondContact O-N 3.37Å; S338-G342 VanDerWaalsContact O-N 3.07Å
343	S	32.2	Very low	38.9	Very low	104 Å²	104	114.4 Å²	114.4	73%	0.727	62%	0.615	S	S	*	*			trans	44.6	76.2	158	62.4	0	0	0	0	117.3	L341	L341-S343 PolarHBondContact O-N 3.37Å
344	Q	29.1	Very low	37.9	Very low	139 Å²	139	119.6 Å²	119.6	65%	0.65	65%	0.648	S	S	*	*			trans	-72.8	126.8	150.7	-82	-177.8	-45.4	0	0	109.1
345	T	28.8	Very low	36.4	Very low	132 Å²	132	119.9 Å²	119.9	81%	0.81	66%	0.657	S	S	*	*			trans	-131.7	52.3	176.8	56.7	0	0	0	0	111.7
346	S	27.9	Very low	34.9	Very low	107 Å²	107	118 Å²	118	75%	0.748	66%	0.658	S	S	*	*			trans	-163.3	40.2	173	62	0	0	0	0	114.9
347	L	27.7	Very low	33.7	Very low	153 Å²	153	118.5 Å²	118.5	80%	0.801	66%	0.664	S	S	*	*			trans	-110.9	97.8	155.3	-95.8	88.1	0	0	0	109
348	G	25.5	Very low	32.6	Very low	63 Å²	63	125 Å²	125	65%	0.649	69%	0.694	S	S	*	*			trans	-98.8	177.1	161.1	0	0	0	0	0	110.7
349	S	26	Very low	31	Very low	122 Å²	122	125.7 Å²	125.7	85%	0.853	70%	0.699	S	S	*	*			trans	54.1	63.5	168.4	58.9	0	0	0	0	117.3
350	L	27.5	Very low	29.9	Very low	161 Å²	161	124.7 Å²	124.7	84%	0.843	70%	0.701	S	S	*	*				-135.8	110.8	120.5	-80.4	129.2	0	0	0	104.7
351	S	25.8	Very low	29.1	Very low	87 Å²	87	127.5 Å²	127.5	61%	0.608	72%	0.72	S	S	*	*				53.9	126.1	72.3	75.1	0	0	0	0	112.9
352	E	25.6	Very low	28.2	Very low	178 Å²	178	127.6 Å²	127.6	83%	0.832	73%	0.73	S	S	*	*			cis	-164.9	157.4	-6.6	-126.4	164	158.6	0	0	107
353	E	26.3	Very low	28.2	Very low	186 Å²	186	131.1 Å²	131.1	87%	0.869	75%	0.747	S	S	*	*			trans	63.6	156	-176.6	-46	-173	133.1	0	0	113.6
354	V	32.3	Very low	28.1	Very low	140 Å²	140	132 Å²	132	85%	0.848	75%	0.748	S	S	*	*			cis	-113.4	146.6	8	173.5	0	0	0	0	111.1
355	T	27.1	Very low	27.9	Very low	108 Å²	108	129.5 Å²	129.5	66%	0.663	75%	0.746	S	S	*	*			trans	-86.8	167.7	-175.3	60.6	0	0	0	0	113.4
356	M	28.5	Very low	27.9	Very low	151 Å²	151	130.5 Å²	130.5	74%	0.744	75%	0.746	S	S	*	*			trans	73.4	145.8	162.5	-58.9	-156.7	-169.6	0	0	115.9
357	K	28	Very low	28.2	Very low	149 Å²	149	130.1 Å²	130.1	65%	0.648	75%	0.75	S	S	*	*			cis	-161.7	162.7	5.4	-124.2	165.1	-179.2	156.7	0	110.7
358	Q	28.6	Very low	28.3	Very low	160 Å²	160	130.4 Å²	130.4	75%	0.748	75%	0.75	S	S	*	*			trans	28.2	147.2	136.3	-69.1	165.8	-35.5	0	0	120.9
359	S	26.8	Very low	28.5	Very low	84 Å²	84	133 Å²	133	59%	0.587	76%	0.755	S	S	*	*			cis	175.4	166.5	-6.4	51.5	0	0	0	0	109.8
360	N	30.1	Very low	28.7	Very low	146 Å²	146	133.7 Å²	133.7	78%	0.781	75%	0.75	S	S	*	*			trans	72.3	136.6	163.4	-51.1	-24.3	0	0	0	115.8
361	M	27.2	Very low	28.9	Very low	169 Å²	169	137.9 Å²	137.9	83%	0.833	76%	0.755	S	S	*	*			cis	91.6	80.9	36.6	-77.3	-73.7	-176.5	0	0	115.9
362	S	26.4	Very low	29.1	Very low	110 Å²	110	143.2 Å²	143.2	77%	0.769	76%	0.761	S	S	*	*			trans	65.4	-179.7	151.2	81.6	0	0	0	0	117.1
363	P	35.2	Very low	29.3	Very low	104 Å²	104	142 Å²	142	68%	0.675	76%	0.76	S	S	*	*			cis	-130.9	-149	-11.3	38.2	-17.3	0	0	0	111.9
364	V	28.6	Very low	29.4	Very low	122 Å²	122	135 Å²	135	74%	0.739	73%	0.73	S	S	*	*			trans	52.4	107.3	148.2	165.9	0	0	0	0	117.6
365	S	26.3	Very low	29.3	Very low	88 Å²	88	134.8 Å²	134.8	62%	0.615	72%	0.724	S	S	*	*				88.8	136.9	55.3	88.7	0	0	0	0	116.3
366	D	28.7	Very low	29.3	Very low	152 Å²	152	137.5 Å²	137.5	81%	0.813	73%	0.726	S	S	*	*			trans	74.8	169	163.5	-52.4	-59.9	0	0	0	121
367	A	33.2	Very low	29.6	Very low	100 Å²	100	140.3 Å²	140.3	83%	0.826	74%	0.735	S	S	*	*			trans	82.6	87.8	172.3	0	0	0	0	0	121.1
368	I	29.9	Very low	29.9	Very low	158 Å²	158	137 Å²	137	81%	0.81	73%	0.731	S	S	*	*			trans	-54.6	137.3	156.1	-71.8	160.6	0	0	0	111.5
369	P	31.5	Very low	30.5	Very low	117 Å²	117	135.5 Å²	135.5	76%	0.76	73%	0.728	S	S	*	*				-155.3	145.5	97.5	39	-18.7	0	0	0	120.4
370	N	30	Very low	31.4	Very low	138 Å²	138	134.7 Å²	134.7	74%	0.738	72%	0.719	S	S	*	*			trans	-8.9	126	150.4	-55	-28.7	0	0	0	119.4
371	R	31.3	Very low	32.2	Very low	249 Å²	249	130.6 Å²	130.6	94%	0.94	70%	0.699	S	S	*	*				-177.5	147.1	111.5	-100.9	171	-179.4	-170.8	0.8	114.3
372	R	29	Very low	33.2	Very low	198 Å²	198	127.6 Å²	127.6	75%	0.747	69%	0.693	S	S	*	*			trans	-31.6	132.5	172.4	-60.6	167.2	177.6	159	-2.2	115.6
373	N	30.2	Very low	34.8	Very low	152 Å²	152	127.7 Å²	127.7	81%	0.813	68%	0.683	S	S	*	*				-167.3	96.5	123.6	-100	-3.9	0	0	0	112.6
374	T	28.7	Very low	36	Very low	39 Å²	39	126.6 Å²	126.6	24%	0.239	67%	0.669	C	S	.	*			trans	-2.8	131.2	132.1	175.9	0	0	0	0	118.4	S74 E75 T76	S74-T374 PolarHBondContact O-N 2.95Å; E75-T374 WeakPolarHBondContact O-CB 3.47Å; E75-T374 WeakPolarHBondContact O-CG2 3.46Å; E75-T374 PolarHBondContact O-OG1 2.96Å; T76-T374 PolarHBondContact N-OG1 3.39Å; T76-T374 WeakPolarHBondContact O-CG2 3.22Å; T76-T374 PolarHBondContact O-OG1 3.28Å
375	L	30.4	Very low	37.8	Very low	137 Å²	137	124.5 Å²	124.5	72%	0.717	65%	0.653	S	S	*	*				-161.2	160.8	123.1	-108.8	165.4	0	0	0	110.1
376	K	27.8	Very low	39.8	Very low	164 Å²	164	123.5 Å²	123.5	71%	0.713	64%	0.643	S	S	*	*			trans	-86.6	112.4	-175.1	-63	177.7	-180	-177.5	0	110.8
377	F	34.6	Very low	41.8	Very low	210 Å²	210	121.7 Å²	121.7	92%	0.921	63%	0.629	S	S	*	*			trans	-112.6	118.8	152.5	-85.2	-80.4	0	0	0	108.8
378	S	33.5	Very low	43.8	Very low	81 Å²	81	118.1 Å²	118.1	57%	0.566	60%	0.596	S	S	*	*			trans	-118.8	152.7	-151.2	53.9	0	0	0	0	114	V380	S378-V380 PolarHBondContact O-N 3.29Å
379	N	40.3	Very low	45.7	Very low	127 Å²	127	113.9 Å²	113.9	68%	0.679	57%	0.573	S	S	*	*			trans	72.2	5.4	155.7	-56.3	-5.1	0	0	0	118.7	T381 Q384	N379-T381 PolarHBondContact O-N 2.86Å; N379-Q384 VanDerWaalsContact O-CD 3.27Å; N379-Q384 PolarHBondContact O-NE2 2.88Å; N379-Q384 PolarHBondContact O-OE1 3.19Å; N379-Q384 VanDerWaalsContact O-OE1 3.1Å
380	V	45.7	Very low	47.7	Very low	67 Å²	67	110 Å²	110	41%	0.406	55%	0.545	S	S	.	.			trans	-70.3	80.5	160.4	-173.5	0	0	0	0	109	S378 Q384 M385	S378-V380 PolarHBondContact O-N 3.29Å; V380-Q384 HydrophobicContact CG1-CB 3.93Å; V380-M385 HydrophobicContact CG1-CB 4.41Å; V380-M385 HydrophobicContact CG1-CE 4.44Å
381	T	46.9	Very low	49.9	Very low	60 Å²	60	104.9 Å²	104.9	37%	0.368	52%	0.521	S	S	.	.			trans	-62.6	164.2	172.8	58.3	0	0	0	0	110.3	N379 I383 Q384 M385	N379-T381 PolarHBondContact O-N 2.86Å; T381-I383 PolarHBondContact O-N 2.96Å; T381-I383 VanDerWaalsContact O-N 3.08Å; T381-Q384 PolarHBondContact O-N 3.11Å; T381-Q384 PolarHBondContact OG1-N 3.06Å; T381-M385 PolarHBondContact O-N 3.5Å
382	P	49.9	Very low	52.1	Low	106 Å²	106	93.4 Å²	93.4	69%	0.688	48%	0.478	S	S	*	.	H	α-helix	trans	-51.8	-32.7	170.6	-27.9	36.3	0	0	0	112.8	M385 T386	P382-M385 PolarHBondContact O-N 2.95Å; P382-T386 PolarHBondContact O-N 3.33Å; P382-T386 PolarHBondContact O-OG1 2.93Å; P382-T386 VanDerWaalsContact O-OG1 3.13Å
383	I	60.2	Low	54.1	Low	112 Å²	112	86.7 Å²	86.7	57%	0.574	45%	0.453	S	S	*	.	H	α-helix	trans	-64.1	-46.4	175.2	-57.7	168	0	0	0	111.3	T381 M385 T386 Q387	T381-I383 PolarHBondContact O-N 2.96Å; T381-I383 VanDerWaalsContact O-N 3.08Å; I383-M385 VanDerWaalsContact C-N 3.31Å; I383-M385 PolarHBondContact O-N 2.91Å; I383-T386 WeakPolarHBondContact CA-OG1 3.23Å; I383-T386 PolarHBondContact O-N 3.11Å; I383-T386 PolarHBondContact O-OG1 3.45Å; I383-Q387 WeakPolarHBondContact O-CB 3.25Å; I383-Q387 VanDerWaalsContact O-CG 3.26Å; I383-Q387 WeakPolarHBondContact O-CG 3.4Å; I383-Q387 PolarHBondContact O-N 3.08Å
384	Q	60	Low	56.2	Low	81 Å²	81	83.8 Å²	83.8	38%	0.379	43%	0.434	S	S	.	.	H	α-helix	trans	-66.7	-34	174.9	-71.7	-169.5	3.3	0	0	112	N379 V380 T381 Q387 I388	N379-Q384 VanDerWaalsContact O-CD 3.27Å; N379-Q384 PolarHBondContact O-NE2 2.88Å; N379-Q384 PolarHBondContact O-OE1 3.19Å; N379-Q384 VanDerWaalsContact O-OE1 3.1Å; V380-Q384 HydrophobicContact CG1-CB 3.93Å; T381-Q384 PolarHBondContact O-N 3.11Å; T381-Q384 PolarHBondContact OG1-N 3.06Å; Q384-Q387 PolarHBondContact O-N 3.41Å; Q384-I388 WeakPolarHBondContact O-CG1 3.46Å; Q384-I388 PolarHBondContact O-N 2.9Å
385	M	65.2	Low	58.6	Low	79 Å²	79	83.2 Å²	83.2	39%	0.389	43%	0.428	S	S	.	.	H	α-helix	trans	-66.2	-42.1	175.6	-144.9	177.6	-67.5	0	0	111.4	L325 P326 V380 T381 P382 I383 I388 E389	L325-M385 HydrophobicContact CD2-CG 4.36Å; P326-M385 HydrophobicContact CG-CE 4.28Å; V380-M385 HydrophobicContact CG1-CB 4.41Å; V380-M385 HydrophobicContact CG1-CE 4.44Å; T381-M385 PolarHBondContact O-N 3.5Å; P382-M385 PolarHBondContact O-N 2.95Å; I383-M385 VanDerWaalsContact C-N 3.31Å; I383-M385 PolarHBondContact O-N 2.91Å; M385-I388 PolarHBondContact O-N 3.36Å; M385-E389 PolarHBondContact O-N 3.28Å
386	T	68.7	Low	60.8	Low	66 Å²	66	77.1 Å²	77.1	41%	0.405	40%	0.397	S	S	.	.	H	α-helix	trans	-66.5	-35.4	170.9	48	0	0	0	0	112.7	P382 I383 I388 E389 D390	P382-T386 PolarHBondContact O-N 3.33Å; P382-T386 PolarHBondContact O-OG1 2.93Å; P382-T386 VanDerWaalsContact O-OG1 3.13Å; I383-T386 WeakPolarHBondContact CA-OG1 3.23Å; I383-T386 PolarHBondContact O-N 3.11Å; I383-T386 PolarHBondContact O-OG1 3.45Å; T386-I388 VanDerWaalsContact C-N 3.3Å; T386-I388 PolarHBondContact O-N 3.09Å; T386-E389 PolarHBondContact O-N 3.04Å; T386-D390 WeakPolarHBondContact O-CB 3.45Å; T386-D390 PolarHBondContact O-N 2.95Å
387	Q	71.8	Confident	62.9	Low	115 Å²	115	73.9 Å²	73.9	54%	0.537	39%	0.385	S	S	.	.	H	α-helix	trans	-63.2	-34.9	174.2	-76.2	167.7	-18.4	0	0	112.2	I383 Q384 S391	I383-Q387 WeakPolarHBondContact O-CB 3.25Å; I383-Q387 VanDerWaalsContact O-CG 3.26Å; I383-Q387 WeakPolarHBondContact O-CG 3.4Å; I383-Q387 PolarHBondContact O-N 3.08Å; Q384-Q387 PolarHBondContact O-N 3.41Å; Q387-S391 VanDerWaalsContact O-CB 3.28Å; Q387-S391 WeakPolarHBondContact O-CB 3.44Å; Q387-S391 PolarHBondContact O-N 2.92Å
388	I	73.9	Confident	64.8	Low	24 Å²	24	66.6 Å²	66.6	12%	0.123	36%	0.355	C	S	.	.	H	α-helix	trans	-73.5	-43.1	174.4	-63.2	163	0	0	0	110.9	L321 K324 L325 Q384 M385 T386 D390 S391 I392	L321-I388 HydrophobicContact CB-CG2 4.48Å; K324-I388 HydrophobicContact CB-CD1 4.44Å; L325-I388 HydrophobicContact CD1-CG2 4.32Å; L325-I388 HydrophobicContact CD2-CB 4.28Å; L325-I388 HydrophobicContact CD2-CG2 3.81Å; L325-I388 HydrophobicContact CG-CG2 3.74Å; Q384-I388 WeakPolarHBondContact O-CG1 3.46Å; Q384-I388 PolarHBondContact O-N 2.9Å; M385-I388 PolarHBondContact O-N 3.36Å; T386-I388 VanDerWaalsContact C-N 3.3Å; T386-I388 PolarHBondContact O-N 3.09Å; I388-D390 VanDerWaalsContact C-N 3.34Å; I388-D390 PolarHBondContact O-N 3.09Å; I388-S391 PolarHBondContact O-N 3.24Å; I388-I392 HydrophobicContact CG2-CD1 3.95Å; I388-I392 WeakPolarHBondContact O-CG1 3.12Å; I388-I392 PolarHBondContact O-N 3.03Å
389	E	71.1	Confident	66.9	Low	70 Å²	70	64.3 Å²	64.3	33%	0.327	34%	0.336	S	S	.	.	H	α-helix	trans	-60.4	-40.7	172.4	-77	-162.9	138.7	0	0	111.9	R336 M385 T386 R393	R336-E389 IonicContact NH1-OE1 3.77Å; R336-E389 PolarHBondContact NH1-OE1 3.02Å; M385-E389 PolarHBondContact O-N 3.28Å; T386-E389 PolarHBondContact O-N 3.04Å; E389-R393 VanDerWaalsContact O-CB 3.3Å; E389-R393 WeakPolarHBondContact O-CB 3.11Å; E389-R393 PolarHBondContact O-N 3.39Å
390	D	71.7	Confident	68.5	Low	34 Å²	34	64.4 Å²	64.4	18%	0.182	33%	0.326	C	S	.	.	H	α-helix	trans	-67.7	-41.2	175.2	-92.9	-47.2	0	0	0	112.6	T386 I388 R393 Q394 Q551	T386-D390 WeakPolarHBondContact O-CB 3.45Å; T386-D390 PolarHBondContact O-N 2.95Å; I388-D390 VanDerWaalsContact C-N 3.34Å; I388-D390 PolarHBondContact O-N 3.09Å; D390-R393 WeakPolarHBondContact O-CB 3.25Å; D390-R393 PolarHBondContact O-N 3.01Å; D390-Q394 WeakPolarHBondContact O-CB 3.27Å; D390-Q394 VanDerWaalsContact O-CG 3.31Å; D390-Q394 WeakPolarHBondContact O-CG 3.13Å; D390-Q394 PolarHBondContact O-N 3.46Å; D390-Q551 VanDerWaalsContact CG-NE2 3.33Å; D390-Q551 PolarHBondContact OD1-NE2 2.88Å; D390-Q551 PolarHBondContact OD2-NE2 2.86Å
391	S	76.1	Confident	69.9	Low	31 Å²	31	63.8 Å²	63.8	22%	0.217	32%	0.323	C	S	.	.	H	α-helix	trans	-65.8	-40.3	177.9	-165.1	0	0	0	0	111.6	L321 Q387 I388 Q394 K395	L321-S391 WeakPolarHBondContact CD1-OG 3.38Å; Q387-S391 VanDerWaalsContact O-CB 3.28Å; Q387-S391 WeakPolarHBondContact O-CB 3.44Å; Q387-S391 PolarHBondContact O-N 2.92Å; I388-S391 PolarHBondContact O-N 3.24Å; S391-Q394 PolarHBondContact O-N 2.86Å; S391-K395 WeakPolarHBondContact O-CB 3.42Å; S391-K395 VanDerWaalsContact O-CG 3.29Å; S391-K395 WeakPolarHBondContact O-CG 3.42Å; S391-K395 PolarHBondContact O-N 3.24Å; S391-K395 WeakPolarHBondContact OG-CE 3.33Å
392	I	78.1	Confident	71.2	Confident	9 Å²	9	61.1 Å²	61.1	5%	0.046	31%	0.306	C	S	.	.	H	α-helix	trans	-65.2	-40.8	172.6	-67.1	167.2	0	0	0	110.8	I318 L321 L325 L337 I388 K395 S396	I318-I392 HydrophobicContact CG2-CG2 4.47Å; L321-I392 HydrophobicContact CB-CD1 4.04Å; L321-I392 HydrophobicContact CB-CG1 3.77Å; L321-I392 HydrophobicContact CD1-CG1 4.21Å; L325-I392 HydrophobicContact CD1-CD1 3.63Å; L325-I392 HydrophobicContact CG-CD1 4.44Å; L337-I392 HydrophobicContact CD2-CG2 3.77Å; I388-I392 HydrophobicContact CG2-CD1 3.95Å; I388-I392 WeakPolarHBondContact O-CG1 3.12Å; I388-I392 PolarHBondContact O-N 3.03Å; I392-K395 PolarHBondContact O-N 2.89Å; I392-S396 WeakPolarHBondContact O-CB 3.21Å; I392-S396 PolarHBondContact O-N 2.95Å; I392-S396 PolarHBondContact O-OG 3.48Å
393	R	72.3	Confident	72.7	Confident	57 Å²	57	57.6 Å²	57.6	22%	0.215	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-52.6	175.3	179.6	-178.2	171.4	-173.6	-4.9	111	E389 D390 K395 S396 E397 H550 Q551	E389-R393 VanDerWaalsContact O-CB 3.3Å; E389-R393 WeakPolarHBondContact O-CB 3.11Å; E389-R393 PolarHBondContact O-N 3.39Å; D390-R393 WeakPolarHBondContact O-CB 3.25Å; D390-R393 PolarHBondContact O-N 3.01Å; R393-K395 PolarHBondContact O-N 3.07Å; R393-S396 PolarHBondContact O-N 3.12Å; R393-S396 PolarHBondContact O-OG 3.44Å; R393-E397 WeakPolarHBondContact O-CB 3.44Å; R393-E397 PolarHBondContact O-N 3.24Å; R393-H550 PolarHBondContact NH1-O 3.3Å; R393-H550 PolarHBondContact NH2-O 3.08Å; R393-H550 VanDerWaalsContact NH2-O 3.13Å; R393-Q551 VanDerWaalsContact NH1-NE2 3.18Å
394	Q	72.5	Confident	73.7	Confident	90 Å²	90	52.5 Å²	52.5	42%	0.421	26%	0.256	S	S	.	.	H	α-helix	trans	-57.6	-47.7	177.4	-73.1	172.5	-2	0	0	111.7	D390 S391 S396 E397 I398 Y549	D390-Q394 WeakPolarHBondContact O-CB 3.27Å; D390-Q394 VanDerWaalsContact O-CG 3.31Å; D390-Q394 WeakPolarHBondContact O-CG 3.13Å; D390-Q394 PolarHBondContact O-N 3.46Å; S391-Q394 PolarHBondContact O-N 2.86Å; Q394-S396 PolarHBondContact O-N 2.98Å; Q394-E397 WeakPolarHBondContact O-CA 3.1Å; Q394-E397 WeakPolarHBondContact O-CB 3.5Å; Q394-E397 PolarHBondContact O-N 3.2Å; Q394-I398 WeakPolarHBondContact O-CG1 3.41Å; Q394-I398 PolarHBondContact O-N 3.28Å; Q394-Y549 HydrophobicContact CG-CE1 4.39Å
395	K	80.7	Confident	74.8	Confident	28 Å²	28	52.9 Å²	52.9	12%	0.122	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-35.9	179.1	-69.6	-178.7	-163.6	-162.3	0	112.8	I314 E317 I318 L321 S391 I392 R393 E397 I398 I399	I314-K395 HydrophobicContact CG2-CB 3.73Å; I314-K395 HydrophobicContact CG2-CD 4.49Å; I314-K395 HydrophobicContact CG2-CG 4.18Å; E317-K395 HydrophobicContact CB-CD 4.33Å; E317-K395 IonicContact OE1-NZ 2.71Å; E317-K395 PolarHBondContact OE1-NZ 2.9Å; E317-K395 IonicContact OE2-NZ 2.71Å; E317-K395 PolarHBondContact OE2-NZ 3.46Å; I318-K395 HydrophobicContact CD1-CB 3.8Å; I318-K395 HydrophobicContact CG1-CB 3.71Å; I318-K395 HydrophobicContact CG1-CD 4.43Å; L321-K395 HydrophobicContact CD1-CD 3.85Å; S391-K395 WeakPolarHBondContact O-CB 3.42Å; S391-K395 VanDerWaalsContact O-CG 3.29Å; S391-K395 WeakPolarHBondContact O-CG 3.42Å; S391-K395 PolarHBondContact O-N 3.24Å; S391-K395 WeakPolarHBondContact OG-CE 3.33Å; I392-K395 PolarHBondContact O-N 2.89Å; R393-K395 PolarHBondContact O-N 3.07Å; K395-E397 VanDerWaalsContact C-N 3.29Å; K395-E397 PolarHBondContact O-N 3.02Å; K395-I398 PolarHBondContact O-N 2.77Å; K395-I399 WeakPolarHBondContact O-CG1 3.4Å; K395-I399 PolarHBondContact O-N 2.69Å
396	S	76.4	Confident	75.6	Confident	8 Å²	8	49.5 Å²	49.5	6%	0.056	24%	0.244	C	C	.	.	H	α-helix	trans	-66.8	-29.3	171.6	78	0	0	0	0	113.2	I392 R393 Q394 R400	I392-S396 WeakPolarHBondContact O-CB 3.21Å; I392-S396 PolarHBondContact O-N 2.95Å; I392-S396 PolarHBondContact O-OG 3.48Å; R393-S396 PolarHBondContact O-N 3.12Å; R393-S396 PolarHBondContact O-OG 3.44Å; Q394-S396 PolarHBondContact O-N 2.98Å; S396-R400 WeakPolarHBondContact O-CG 3.49Å; S396-R400 PolarHBondContact O-N 3.09Å
397	E	70.8	Confident	76.3	Confident	97 Å²	97	46.4 Å²	46.4	45%	0.453	23%	0.225	S	C	.	.	H	α-helix	trans	-73.8	-38.5	174.9	-162.5	156	-137.3	0	0	110.7	R393 Q394 K395 R400 T401 Y549	R393-E397 WeakPolarHBondContact O-CB 3.44Å; R393-E397 PolarHBondContact O-N 3.24Å; Q394-E397 WeakPolarHBondContact O-CA 3.1Å; Q394-E397 WeakPolarHBondContact O-CB 3.5Å; Q394-E397 PolarHBondContact O-N 3.2Å; K395-E397 VanDerWaalsContact C-N 3.29Å; K395-E397 PolarHBondContact O-N 3.02Å; E397-R400 WeakPolarHBondContact O-CB 3.34Å; E397-R400 PolarHBondContact O-N 2.92Å; E397-T401 PolarHBondContact O-N 2.64Å; E397-T401 VanDerWaalsContact O-N 3.12Å; E397-Y549 PolarHBondContact OE2-OH 2.81Å
398	I	75	Confident	76.8	Confident	57 Å²	57	44.7 Å²	44.7	29%	0.292	22%	0.22	S	C	.	.	H	α-helix	trans	-63.2	-48.2	173	-62.4	164.9	0	0	0	111.2	I314 Q394 K395 R400 T401 L402	I314-I398 HydrophobicContact CD1-CB 4.45Å; I314-I398 HydrophobicContact CD1-CG2 3.61Å; Q394-I398 WeakPolarHBondContact O-CG1 3.41Å; Q394-I398 PolarHBondContact O-N 3.28Å; K395-I398 PolarHBondContact O-N 2.77Å; I398-R400 PolarHBondContact O-N 2.87Å; I398-T401 WeakPolarHBondContact CA-OG1 3.32Å; I398-T401 WeakPolarHBondContact O-CA 3.46Å; I398-T401 PolarHBondContact O-N 3.03Å; I398-T401 PolarHBondContact O-OG1 3.32Å; I398-L402 HydrophobicContact CG2-CD1 3.65Å; I398-L402 HydrophobicContact CG2-CG 4Å; I398-L402 WeakPolarHBondContact O-CG 3.2Å; I398-L402 PolarHBondContact O-N 2.8Å
399	I	77.7	Confident	77.4	Confident	33 Å²	33	47.5 Å²	47.5	17%	0.169	23%	0.231	C	C	.	.	H	α-helix	trans	-54.8	-37.5	175.6	-70.5	173.3	0	0	0	111.5	I311 I314 K315 I318 K395 L402 N403	I311-I399 HydrophobicContact CG2-CG2 4.47Å; I314-I399 HydrophobicContact CB-CD1 4.43Å; I314-I399 HydrophobicContact CB-CG1 4.23Å; I314-I399 HydrophobicContact CG2-CD1 3.91Å; I314-I399 HydrophobicContact CG2-CG1 3.79Å; K315-I399 HydrophobicContact CG-CD1 4.11Å; I318-I399 HydrophobicContact CD1-CD1 3.62Å; K395-I399 WeakPolarHBondContact O-CG1 3.4Å; K395-I399 PolarHBondContact O-N 2.69Å; I399-L402 PolarHBondContact O-N 3.07Å; I399-N403 PolarHBondContact O-N 3.03Å
400	R	74.4	Confident	78.1	Confident	128 Å²	128	44.2 Å²	44.2	48%	0.483	22%	0.216	S	C	.	.	H	α-helix	trans	-68.1	-36.8	175.6	-70.6	173	-179.6	-151.6	-0.5	112.7	K339 Y340 S396 E397 I398 R456	K339-R400 PolarHBondContact O-NH2 3.15Å; Y340-R400 PolarHBondContact O-NE 2.84Å; Y340-R400 PolarHBondContact O-NH2 3.4Å; S396-R400 WeakPolarHBondContact O-CG 3.49Å; S396-R400 PolarHBondContact O-N 3.09Å; E397-R400 WeakPolarHBondContact O-CB 3.34Å; E397-R400 PolarHBondContact O-N 2.92Å; I398-R400 PolarHBondContact O-N 2.87Å; R400-R456 PolarHBondContact O-NE 3.43Å; R400-R456 PolarHBondContact O-NH2 3.31Å
401	T	73.6	Confident	78.8	Confident	54 Å²	54	43 Å²	43	33%	0.331	21%	0.208	S	C	.	.	H	α-helix	trans	-72.2	-29.8	174.4	53.3	0	0	0	0	113.5	E397 I398	E397-T401 PolarHBondContact O-N 2.64Å; E397-T401 VanDerWaalsContact O-N 3.12Å; I398-T401 WeakPolarHBondContact CA-OG1 3.32Å; I398-T401 WeakPolarHBondContact O-CA 3.46Å; I398-T401 PolarHBondContact O-N 3.03Å; I398-T401 PolarHBondContact O-OG1 3.32Å
402	L	74.9	Confident	78.9	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-84.2	-13.1	-176.6	-71.8	178.2	0	0	0	115.9	E310 I311 I314 I398 I399 P404 L460 F464	E310-L402 HydrophobicContact CB-CD1 4.47Å; E310-L402 HydrophobicContact CG-CD1 4.12Å; E310-L402 WeakPolarHBondContact OE2-CD1 3.28Å; E310-L402 VanDerWaalsContact OE2-CD2 3.28Å; E310-L402 WeakPolarHBondContact OE2-CD2 3.37Å; I311-L402 HydrophobicContact CD1-CB 3.81Å; I311-L402 HydrophobicContact CG1-CB 3.78Å; I311-L402 HydrophobicContact CG1-CD1 4.17Å; I314-L402 HydrophobicContact CD1-CD1 3.65Å; I398-L402 HydrophobicContact CG2-CD1 3.65Å; I398-L402 HydrophobicContact CG2-CG 4Å; I398-L402 WeakPolarHBondContact O-CG 3.2Å; I398-L402 PolarHBondContact O-N 2.8Å; I399-L402 PolarHBondContact O-N 3.07Å; L402-P404 VanDerWaalsContact O-CD 3.23Å; L402-P404 WeakPolarHBondContact O-CD 3.42Å; L402-P404 VanDerWaalsContact O-N 3.09Å; L402-L460 WeakPolarHBondContact O-CD2 3.3Å; L402-F464 HydrophobicContact CD2-CE2 4.03Å; L402-F464 HydrophobicContact CD2-CZ 4.1Å
403	N	81.6	Confident	78.7	Confident	32 Å²	32	47 Å²	47	17%	0.171	23%	0.234	C	C	.	.			trans	-59.7	117	-174.7	178.6	-2	0	0	0	111.9	I399 D405	I399-N403 PolarHBondContact O-N 3.03Å; N403-D405 PolarHBondContact ND2-OD2 2.86Å; N403-D405 PolarHBondContact O-N 2.65Å; N403-D405 WeakPolarHBondContact OD1-CB 3.28Å; N403-D405 PolarHBondContact OD1-N 2.93Å; N403-D405 PolarHBondContact OD1-OD1 3.35Å; N403-D405 PolarHBondContact OD1-OD2 2.79Å; N403-D405 VanDerWaalsContact OD1-OD2 3.05Å
404	P	81.6	Confident	78.2	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.032	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.3	-174.5	36.9	-38	0	0	0	115.1	K304 A307 L308 L402 I406 L407 L460	K304-P404 HydrophobicContact CG-CB 3.96Å; K304-P404 HydrophobicContact CG-CG 4.38Å; A307-P404 HydrophobicContact CB-CB 4.07Å; A307-P404 HydrophobicContact CB-CG 4.1Å; L308-P404 HydrophobicContact CD2-CG 4.48Å; L308-P404 HydrophobicContact CG-CG 4.3Å; L402-P404 VanDerWaalsContact O-CD 3.23Å; L402-P404 WeakPolarHBondContact O-CD 3.42Å; L402-P404 VanDerWaalsContact O-N 3.09Å; P404-I406 PolarHBondContact O-N 3.47Å; P404-L407 PolarHBondContact O-N 2.84Å; P404-L460 HydrophobicContact CB-CD1 4.49Å
405	D	82.1	Confident	77.4	Confident	89 Å²	89	49 Å²	49	48%	0.476	27%	0.265	S	S	.	.	H	α-helix	trans	-47.7	-27.6	173.4	-65.5	-21.2	0	0	0	112.5	N403 L407	N403-D405 PolarHBondContact ND2-OD2 2.86Å; N403-D405 PolarHBondContact O-N 2.65Å; N403-D405 WeakPolarHBondContact OD1-CB 3.28Å; N403-D405 PolarHBondContact OD1-N 2.93Å; N403-D405 PolarHBondContact OD1-OD1 3.35Å; N403-D405 PolarHBondContact OD1-OD2 2.79Å; N403-D405 VanDerWaalsContact OD1-OD2 3.05Å; D405-L407 VanDerWaalsContact C-N 3.29Å; D405-L407 PolarHBondContact O-N 3.02Å
406	I	83.6	Confident	76.3	Confident	9 Å²	9	55 Å²	55	5%	0.046	30%	0.298	C	S	.	.	H	α-helix	trans	-73.3	-15.4	-175.6	-158	145.7	0	0	0	114.5	P404 D453 R456 I457 L460	P404-I406 PolarHBondContact O-N 3.47Å; I406-D453 HydrophobicContact CD1-CB 3.81Å; I406-D453 HydrophobicContact CG1-CB 4.31Å; I406-R456 HydrophobicContact CD1-CB 4.16Å; I406-R456 HydrophobicContact CG2-CB 4.4Å; I406-I457 HydrophobicContact CG1-CG1 4.28Å; I406-I457 HydrophobicContact CG2-CG1 3.99Å; I406-L460 HydrophobicContact CG2-CD1 3.66Å
407	L	83.5	Confident	75	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-71.6	-45	174.4	-68.5	169.2	0	0	0	110.8	I300 I303 P404 D405 K409 W410 Y411 I457 L460	I300-L407 HydrophobicContact CG2-CB 4.29Å; I300-L407 HydrophobicContact CG2-CD1 4.4Å; I303-L407 HydrophobicContact CB-CD1 4.23Å; I303-L407 HydrophobicContact CG2-CD1 3.69Å; P404-L407 PolarHBondContact O-N 2.84Å; D405-L407 VanDerWaalsContact C-N 3.29Å; D405-L407 PolarHBondContact O-N 3.02Å; L407-K409 VanDerWaalsContact C-N 3.26Å; L407-K409 PolarHBondContact O-N 2.82Å; L407-W410 PolarHBondContact O-N 2.91Å; L407-W410 VanDerWaalsContact O-N 3.11Å; L407-Y411 HydrophobicContact CD2-CD2 4.42Å; L407-Y411 WeakPolarHBondContact O-CB 3.39Å; L407-Y411 PolarHBondContact O-N 3.11Å; L407-I457 HydrophobicContact CD2-CG1 4.42Å; L407-I457 HydrophobicContact CD2-CG2 4.06Å; L407-L460 HydrophobicContact CD1-CD1 4.22Å; L407-L460 HydrophobicContact CD2-CD1 4.48Å; L407-L460 HydrophobicContact CG-CD1 4.06Å
408	D	82.3	Confident	74.4	Confident	80 Å²	80	57.4 Å²	57.4	43%	0.428	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-32.4	179.4	-62.1	-28.1	0	0	0	112.5	K304 W410	K304-D408 VanDerWaalsContact CE-OD1 3.23Å; K304-D408 WeakPolarHBondContact CE-OD1 3.34Å; K304-D408 WeakPolarHBondContact CE-OD2 3.28Å; K304-D408 IonicContact NZ-OD1 2.62Å; K304-D408 PolarHBondContact NZ-OD1 2.79Å; K304-D408 IonicContact NZ-OD2 2.83Å; K304-D408 PolarHBondContact NZ-OD2 3.46Å; D408-W410 PolarHBondContact O-N 2.94Å
409	K	85.1	Confident	73.8	Confident	82 Å²	82	59.6 Å²	59.6	36%	0.357	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.8	176.7	-178.8	-178.9	174	-167	0	113.1	L407 V430 D453	L407-K409 VanDerWaalsContact C-N 3.26Å; L407-K409 PolarHBondContact O-N 2.82Å; K409-V430 HydrophobicContact CD-CG1 4.28Å; K409-V430 VanDerWaalsContact CE-CG1 3.44Å; K409-V430 HydrophobicContact CG-CG1 3.82Å; K409-D453 IonicContact NZ-OD2 3.09Å; K409-D453 PolarHBondContact NZ-OD2 2.99Å
410	W	86.2	Confident	73.5	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.008	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-21.1	-170.1	-76.7	97.3	0	0	0	114.2	L407 D408 L424 Q425 V427 V430 L431 W450 D453 I457	L407-W410 PolarHBondContact O-N 2.91Å; L407-W410 VanDerWaalsContact O-N 3.11Å; D408-W410 PolarHBondContact O-N 2.94Å; W410-L424 HydrophobicContact CB-CD1 4.41Å; W410-L424 HydrophobicContact CE3-CD1 4.37Å; W410-L424 CarbonylContact O-C 3.57Å; W410-L424 WeakPolarHBondContact O-CA 3.26Å; W410-Q425 PolarHBondContact O-N 2.92Å; W410-V427 HydrophobicContact CH2-CB 4.46Å; W410-V427 HydrophobicContact CH2-CG1 4.05Å; W410-V427 HydrophobicContact CZ3-CB 4.37Å; W410-V427 HydrophobicContact CZ3-CG1 4.44Å; W410-V427 HydrophobicContact CZ3-CG2 4.16Å; W410-V430 HydrophobicContact CD2-CB 4.46Å; W410-V430 HydrophobicContact CD2-CG1 4.06Å; W410-V430 HydrophobicContact CD2-CG2 4.24Å; W410-V430 HydrophobicContact CE3-CB 4.23Å; W410-V430 HydrophobicContact CE3-CG1 4.33Å; W410-V430 HydrophobicContact CE3-CG2 3.85Å; W410-V430 HydrophobicContact CH2-CB 3.76Å; W410-V430 HydrophobicContact CH2-CG1 3.87Å; W410-V430 HydrophobicContact CH2-CG2 4.27Å; W410-V430 HydrophobicContact CZ2-CB 4.05Å; W410-V430 HydrophobicContact CZ2-CG1 3.6Å; W410-V430 HydrophobicContact CZ3-CB 3.88Å; W410-V430 HydrophobicContact CZ3-CG1 4.24Å; W410-V430 HydrophobicContact CZ3-CG2 3.86Å; W410-L431 HydrophobicContact CH2-CD1 3.96Å; W410-L431 HydrophobicContact CH2-CG 4.35Å; W410-L431 HydrophobicContact CZ2-CD1 3.89Å; W410-L431 HydrophobicContact CZ2-CG 4.32Å; W410-W450 AromaticContact CH2-CD1 3.52Å; W410-W450 HydrophobicContact CH2-CG 4.49Å; W410-W450 AromaticContact CZ2-CD1 3.89Å; W410-D453 HydrophobicContact CZ2-CB 4.41Å; W410-D453 PolarHBondContact NE1-OD2 2.89Å; W410-I457 HydrophobicContact CB-CD1 3.72Å; W410-I457 HydrophobicContact CG-CD1 3.67Å
411	Y	85.8	Confident	73.6	Confident	7 Å²	7	58.7 Å²	58.7	3%	0.027	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.4	177.9	-74.3	-83.3	0	0	0	110.4	P292 L295 I300 L407 Y423 L424 I457	P292-Y411 VanDerWaalsContact O-CE1 3.24Å; P292-Y411 WeakPolarHBondContact O-CE1 3.39Å; P292-Y411 PolarHBondContact O-OH 3.13Å; L295-Y411 HydrophobicContact CB-CD1 4.15Å; L295-Y411 HydrophobicContact CB-CE1 4.12Å; L295-Y411 HydrophobicContact CD1-CD1 4.01Å; L295-Y411 HydrophobicContact CD1-CD2 3.89Å; L295-Y411 HydrophobicContact CD1-CE1 3.68Å; L295-Y411 HydrophobicContact CD1-CE2 3.55Å; L295-Y411 HydrophobicContact CD1-CG 4.11Å; L295-Y411 VanDerWaalsContact CD1-CZ 3.43Å; L295-Y411 HydrophobicContact CG-CD1 4.09Å; L295-Y411 HydrophobicContact CG-CE1 3.61Å; L295-Y411 HydrophobicContact CG-CE2 4.39Å; I300-Y411 HydrophobicContact CD1-CG 4.31Å; L407-Y411 HydrophobicContact CD2-CD2 4.42Å; L407-Y411 WeakPolarHBondContact O-CB 3.39Å; L407-Y411 PolarHBondContact O-N 3.11Å; Y411-Y423 WeakPolarHBondContact CA-O 3.06Å; Y411-L424 HydrophobicContact CD1-CB 4.45Å; Y411-L424 HydrophobicContact CE1-CB 3.94Å; Y411-L424 HydrophobicContact CE1-CD1 4.22Å; Y411-L424 HydrophobicContact CE2-CD1 4.17Å; Y411-I457 HydrophobicContact CE2-CG2 4.2Å
412	C	78.6	Confident	73.8	Confident	37 Å²	37	56.5 Å²	56.5	25%	0.25	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144.3	178.3	-82.1	0	0	0	0	111.7	Y423 Q425	C412-Y423 PolarHBondContact N-O 2.88Å; C412-Y423 PolarHBondContact O-N 2.83Å; C412-Q425 HydrophobicContact CB-CG 4.08Å; C412-Q425 PolarHBondContact SG-NE2 2.88Å
413	P	74.7	Confident	74.1	Confident	87 Å²	87	60.2 Å²	60.2	57%	0.565	34%	0.336	S	S	*	.			trans	-70.5	131.3	166.9	30.5	-33.1	0	0	0	109.4
414	T	61.3	Low	74.2	Confident	74 Å²	74	61.2 Å²	61.2	45%	0.454	34%	0.341	S	S	.	.			trans	-93.5	148	173.7	51.1	0	0	0	0	110.3	D416 S417	T414-D416 PolarHBondContact O-N 2.98Å; T414-S417 PolarHBondContact N-OG 2.86Å; T414-S417 PolarHBondContact O-N 3.28Å; T414-S417 PolarHBondContact O-OG 2.99Å; T414-S417 VanDerWaalsContact OG1-CB 3.29Å; T414-S417 WeakPolarHBondContact OG1-CB 3.47Å; T414-S417 PolarHBondContact OG1-OG 2.75Å; T414-S417 VanDerWaalsContact OG1-OG 3.06Å
415	S	56.4	Low	74.1	Confident	117 Å²	117	63.6 Å²	63.6	82%	0.818	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.6	-173.3	48.8	0	0	0	0	114.9
416	D	57.7	Low	73.9	Confident	154 Å²	154	62.6 Å²	62.6	82%	0.824	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	22.3	-167.7	-53.3	5.1	0	0	0	111.1	T414	T414-D416 PolarHBondContact O-N 2.98Å
417	S	49.2	Very low	73.6	Confident	35 Å²	35	64.4 Å²	64.4	25%	0.245	36%	0.361	C	S	.	.	S	Bend	trans	-134.3	172.1	-165.5	76.5	0	0	0	0	114.8	T414 Y423	T414-S417 PolarHBondContact N-OG 2.86Å; T414-S417 PolarHBondContact O-N 3.28Å; T414-S417 PolarHBondContact O-OG 2.99Å; T414-S417 VanDerWaalsContact OG1-CB 3.29Å; T414-S417 WeakPolarHBondContact OG1-CB 3.47Å; T414-S417 PolarHBondContact OG1-OG 2.75Å; T414-S417 VanDerWaalsContact OG1-OG 3.06Å; S417-Y423 VanDerWaalsContact CB-CE2 3.41Å; S417-Y423 WeakPolarHBondContact OG-CE2 3.4Å
418	H	57	Low	73.2	Confident	119 Å²	119	67.3 Å²	67.3	55%	0.551	38%	0.381	S	S	*	.			trans	-68.5	131.2	-176.1	-139.3	-85.6	0	0	0	111.2	D420 I421	H418-D420 IonicContact CE1-OD2 3.68Å; H418-D420 PolarHBondContact CE1-OD2 2.82Å; H418-D420 IonicContact ND1-OD2 3.5Å; H418-D420 PolarHBondContact ND1-OD2 3.38Å; H418-D420 PolarHBondContact O-N 2.78Å; H418-I421 HydrophobicContact CB-CD1 4.14Å; H418-I421 HydrophobicContact CB-CG1 4.38Å; H418-I421 PolarHBondContact O-N 2.85Å; H418-I421 VanDerWaalsContact O-N 3.14Å
419	P	63.7	Low	73.1	Confident	104 Å²	104	69.7 Å²	69.7	68%	0.675	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-11.4	-172.6	25.6	-36.3	0	0	0	115.1	N297	N297-P419 PolarHBondContact ND2-O 3.48Å
420	D	71.3	Confident	72.8	Confident	93 Å²	93	67 Å²	67	50%	0.497	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-4.1	-177.7	-46.3	-78.7	0	0	0	113.5	P296 N297 H418	P296-D420 CarbonylContact C-O 3.57Å; P296-D420 WeakPolarHBondContact CA-O 3.36Å; N297-D420 WeakPolarHBondContact CB-O 3.49Å; N297-D420 PolarHBondContact N-O 2.91Å; N297-D420 VanDerWaalsContact ND2-C 3.31Å; H418-D420 IonicContact CE1-OD2 3.68Å; H418-D420 PolarHBondContact CE1-OD2 2.82Å; H418-D420 IonicContact ND1-OD2 3.5Å; H418-D420 PolarHBondContact ND1-OD2 3.38Å; H418-D420 PolarHBondContact O-N 2.78Å
421	I	75.1	Confident	72.7	Confident	48 Å²	48	67.5 Å²	67.5	25%	0.246	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.5	-171.6	-55.3	177.4	0	0	0	110.1	N297 H418 Y423	N297-I421 PolarHBondContact ND2-N 3.08Å; H418-I421 HydrophobicContact CB-CD1 4.14Å; H418-I421 HydrophobicContact CB-CG1 4.38Å; H418-I421 PolarHBondContact O-N 2.85Å; H418-I421 VanDerWaalsContact O-N 3.14Å; I421-Y423 HydrophobicContact CB-CE2 4.01Å; I421-Y423 HydrophobicContact CG2-CD2 4.16Å; I421-Y423 HydrophobicContact CG2-CE1 4.45Å; I421-Y423 HydrophobicContact CG2-CE2 3.7Å
422	S	79.4	Confident	72.3	Confident	9 Å²	9	70.9 Å²	70.9	6%	0.063	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	138.1	162.6	-73.3	0	0	0	0	110.2	Y294 L295 N297	Y294-S422 WeakPolarHBondContact CA-O 3.07Å; L295-S422 PolarHBondContact N-O 3.16Å; L295-S422 PolarHBondContact O-N 2.84Å; N297-S422 WeakPolarHBondContact OD1-CB 3.4Å; N297-S422 PolarHBondContact OD1-N 3.38Å; N297-S422 VanDerWaalsContact OD1-N 3.13Å; N297-S422 PolarHBondContact OD1-OG 2.99Å
423	Y	81	Confident	72.1	Confident	81 Å²	81	69.3 Å²	69.3	32%	0.318	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	143.4	-176.9	-67.3	-98.7	0	0	0	110.2	Y411 C412 S417 I421 Q425	Y411-Y423 WeakPolarHBondContact CA-O 3.06Å; C412-Y423 PolarHBondContact N-O 2.88Å; C412-Y423 PolarHBondContact O-N 2.83Å; S417-Y423 VanDerWaalsContact CB-CE2 3.41Å; S417-Y423 WeakPolarHBondContact OG-CE2 3.4Å; I421-Y423 HydrophobicContact CB-CE2 4.01Å; I421-Y423 HydrophobicContact CG2-CD2 4.16Å; I421-Y423 HydrophobicContact CG2-CE1 4.45Å; I421-Y423 HydrophobicContact CG2-CE2 3.7Å; Y423-Q425 PolarHBondContact O-N 3.29Å
424	L	83.1	Confident	71.9	Confident	54 Å²	54	66.4 Å²	66.4	28%	0.283	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	116.8	174.7	-178.6	68.5	0	0	0	109.6	L291 Q293 W410 Y411	L291-L424 HydrophobicContact CB-CD1 4.19Å; L291-L424 HydrophobicContact CB-CD2 3.98Å; L291-L424 HydrophobicContact CD1-CD1 3.99Å; Q293-L424 PolarHBondContact O-N 2.96Å; W410-L424 HydrophobicContact CB-CD1 4.41Å; W410-L424 HydrophobicContact CE3-CD1 4.37Å; W410-L424 CarbonylContact O-C 3.57Å; W410-L424 WeakPolarHBondContact O-CA 3.26Å; Y411-L424 HydrophobicContact CD1-CB 4.45Å; Y411-L424 HydrophobicContact CE1-CB 3.94Å; Y411-L424 HydrophobicContact CE1-CD1 4.22Å; Y411-L424 HydrophobicContact CE2-CD1 4.17Å
425	Q	79.7	Confident	72.2	Confident	55 Å²	55	65.8 Å²	65.8	26%	0.257	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-65.3	140.9	177.8	-72.3	-167.7	-26.8	0	0	111.2	W410 C412 Y423 V427 V430	W410-Q425 PolarHBondContact O-N 2.92Å; C412-Q425 HydrophobicContact CB-CG 4.08Å; C412-Q425 PolarHBondContact SG-NE2 2.88Å; Y423-Q425 PolarHBondContact O-N 3.29Å; Q425-V427 PolarHBondContact O-N 3.02Å; Q425-V430 HydrophobicContact CB-CG2 3.69Å
426	P	78.1	Confident	72.4	Confident	68 Å²	68	63 Å²	63	44%	0.442	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-52.2	134.9	171.4	-26.7	33.7	0	0	0	111.9	S428 Q429 V430	P426-S428 PolarHBondContact O-N 3.04Å; P426-Q429 HydrophobicContact CB-CG 4.26Å; P426-Q429 HydrophobicContact CG-CG 4.41Å; P426-Q429 WeakPolarHBondContact O-CB 3.35Å; P426-Q429 PolarHBondContact O-N 3.39Å; P426-V430 PolarHBondContact O-N 2.88Å
427	V	75.9	Confident	72.3	Confident	47 Å²	47	58 Å²	58	29%	0.285	32%	0.322	S	S	.	.	H	α-helix	trans	-54.1	-33.1	179.1	-170.7	0	0	0	0	111.6	W410 Q425 Q429 L431 I434 W450	W410-V427 HydrophobicContact CH2-CB 4.46Å; W410-V427 HydrophobicContact CH2-CG1 4.05Å; W410-V427 HydrophobicContact CZ3-CB 4.37Å; W410-V427 HydrophobicContact CZ3-CG1 4.44Å; W410-V427 HydrophobicContact CZ3-CG2 4.16Å; Q425-V427 PolarHBondContact O-N 3.02Å; V427-Q429 VanDerWaalsContact C-N 3.34Å; V427-Q429 PolarHBondContact O-N 3.49Å; V427-L431 CarbonylContact O-C 3.57Å; V427-L431 WeakPolarHBondContact O-CA 3.36Å; V427-L431 WeakPolarHBondContact O-CB 3.33Å; V427-L431 PolarHBondContact O-N 2.85Å; V427-I434 HydrophobicContact CG1-CD1 3.76Å; V427-I434 HydrophobicContact CG1-CG2 4.18Å; V427-W450 HydrophobicContact CG1-CG 4.17Å
428	S	75.6	Confident	72.7	Confident	60 Å²	60	63.5 Å²	63.5	42%	0.42	35%	0.349	S	S	.	.	H	α-helix	trans	-71.3	-16.6	176.1	49.6	0	0	0	0	115.9	P426 P432 T435	P426-S428 PolarHBondContact O-N 3.04Å; S428-P432 WeakPolarHBondContact O-CA 3.43Å; S428-T435 VanDerWaalsContact CB-CG2 3.41Å
429	Q	80.7	Confident	73.3	Confident	131 Å²	131	60.8 Å²	60.8	61%	0.612	34%	0.339	S	S	*	.	H	α-helix	trans	-86.4	-41.9	172.5	-71.3	-176.7	-13.5	0	0	111	P426 V427	P426-Q429 HydrophobicContact CB-CG 4.26Å; P426-Q429 HydrophobicContact CG-CG 4.41Å; P426-Q429 WeakPolarHBondContact O-CB 3.35Å; P426-Q429 PolarHBondContact O-N 3.39Å; V427-Q429 VanDerWaalsContact C-N 3.34Å; V427-Q429 PolarHBondContact O-N 3.49Å
430	V	79.3	Confident	73.5	Confident	25 Å²	25	58.8 Å²	58.8	15%	0.152	32%	0.32	C	S	.	.	H	α-helix	trans	-77.3	-29.4	-179.9	-172.3	0	0	0	0	112.3	K409 W410 Q425 P426	K409-V430 HydrophobicContact CD-CG1 4.28Å; K409-V430 VanDerWaalsContact CE-CG1 3.44Å; K409-V430 HydrophobicContact CG-CG1 3.82Å; W410-V430 HydrophobicContact CD2-CB 4.46Å; W410-V430 HydrophobicContact CD2-CG1 4.06Å; W410-V430 HydrophobicContact CD2-CG2 4.24Å; W410-V430 HydrophobicContact CE3-CB 4.23Å; W410-V430 HydrophobicContact CE3-CG1 4.33Å; W410-V430 HydrophobicContact CE3-CG2 3.85Å; W410-V430 HydrophobicContact CH2-CB 3.76Å; W410-V430 HydrophobicContact CH2-CG1 3.87Å; W410-V430 HydrophobicContact CH2-CG2 4.27Å; W410-V430 HydrophobicContact CZ2-CB 4.05Å; W410-V430 HydrophobicContact CZ2-CG1 3.6Å; W410-V430 HydrophobicContact CZ3-CB 3.88Å; W410-V430 HydrophobicContact CZ3-CG1 4.24Å; W410-V430 HydrophobicContact CZ3-CG2 3.86Å; Q425-V430 HydrophobicContact CB-CG2 3.69Å; P426-V430 PolarHBondContact O-N 2.88Å
431	L	82.8	Confident	73.5	Confident	13 Å²	13	59.6 Å²	59.6	7%	0.068	33%	0.325	C	S	.	.			trans	-138.5	83.2	-176.3	-67.8	174.3	0	0	0	109.2	W410 V427 I434 E446 W450	W410-L431 HydrophobicContact CH2-CD1 3.96Å; W410-L431 HydrophobicContact CH2-CG 4.35Å; W410-L431 HydrophobicContact CZ2-CD1 3.89Å; W410-L431 HydrophobicContact CZ2-CG 4.32Å; V427-L431 CarbonylContact O-C 3.57Å; V427-L431 WeakPolarHBondContact O-CA 3.36Å; V427-L431 WeakPolarHBondContact O-CB 3.33Å; V427-L431 PolarHBondContact O-N 2.85Å; L431-I434 HydrophobicContact CB-CB 4.38Å; L431-I434 WeakPolarHBondContact O-CB 3.42Å; L431-I434 WeakPolarHBondContact O-CG2 3.45Å; L431-I434 PolarHBondContact O-N 2.75Å; L431-E446 VanDerWaalsContact CA-OE2 3.32Å; L431-E446 WeakPolarHBondContact CA-OE2 3.48Å; L431-E446 HydrophobicContact CB-CB 4.31Å; L431-E446 VanDerWaalsContact CB-OE2 3.3Å; L431-E446 WeakPolarHBondContact CB-OE2 3.05Å; L431-E446 HydrophobicContact CD2-CB 4.23Å; L431-E446 HydrophobicContact CD2-CG 4.09Å; L431-W450 HydrophobicContact CD1-CB 3.64Å
432	P	77.3	Confident	73.5	Confident	78 Å²	78	61 Å²	61	51%	0.506	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-71.7	-32.6	-172.7	27.8	-34.4	0	0	0	113.3	S428 I434 T435	S428-P432 WeakPolarHBondContact O-CA 3.43Å; P432-I434 PolarHBondContact O-N 3.12Å; P432-T435 WeakPolarHBondContact O-CB 3.43Å; P432-T435 PolarHBondContact O-N 2.83Å; P432-T435 PolarHBondContact O-OG1 3.44Å
433	G	75.1	Confident	72.8	Confident	4 Å²	4	62 Å²	62	4%	0.041	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-64.1	-16.5	174.6	0	0	0	0	0	113.9	T435 C436 E446	G433-T435 PolarHBondContact O-N 2.96Å; G433-C436 WeakPolarHBondContact O-CB 3.26Å; G433-C436 PolarHBondContact O-N 2.77Å; G433-E446 VanDerWaalsContact C-OE2 3.23Å; G433-E446 VanDerWaalsContact CA-CD 3.42Å; G433-E446 VanDerWaalsContact CA-OE1 3.23Å; G433-E446 WeakPolarHBondContact CA-OE1 3.39Å; G433-E446 WeakPolarHBondContact CA-OE2 3.43Å; G433-E446 VanDerWaalsContact N-CD 3.3Å; G433-E446 PolarHBondContact N-OE1 3.15Å; G433-E446 PolarHBondContact N-OE2 2.89Å
434	I	69.6	Low	72.3	Confident	25 Å²	25	62.3 Å²	62.3	13%	0.128	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-64.6	-18.1	169.6	-133.3	174.2	0	0	0	112.6	V427 L431 P432 R443 E446 L447	V427-I434 HydrophobicContact CG1-CD1 3.76Å; V427-I434 HydrophobicContact CG1-CG2 4.18Å; L431-I434 HydrophobicContact CB-CB 4.38Å; L431-I434 WeakPolarHBondContact O-CB 3.42Å; L431-I434 WeakPolarHBondContact O-CG2 3.45Å; L431-I434 PolarHBondContact O-N 2.75Å; P432-I434 PolarHBondContact O-N 3.12Å; I434-R443 HydrophobicContact CG1-CG 4.46Å; I434-R443 VanDerWaalsContact O-CD 3.26Å; I434-R443 WeakPolarHBondContact O-CD 3.17Å; I434-R443 PolarHBondContact O-NE 2.85Å; I434-E446 HydrophobicContact CB-CB 4.49Å; I434-E446 PolarHBondContact N-OE2 2.8Å; I434-L447 HydrophobicContact CD1-CB 4.23Å; I434-L447 HydrophobicContact CG1-CB 4.42Å
435	T	69.3	Low	71.9	Confident	62 Å²	62	62.7 Å²	62.7	38%	0.38	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-96.3	-11	171.4	72.7	0	0	0	0	113.7	S428 P432 G433 F437	S428-T435 VanDerWaalsContact CB-CG2 3.41Å; P432-T435 WeakPolarHBondContact O-CB 3.43Å; P432-T435 PolarHBondContact O-N 2.83Å; P432-T435 PolarHBondContact O-OG1 3.44Å; G433-T435 PolarHBondContact O-N 2.96Å; T435-F437 WeakPolarHBondContact O-CD2 3.39Å
436	C	59.9	Low	71.8	Confident	58 Å²	58	61.9 Å²	61.9	39%	0.392	35%	0.346	S	S	.	.			trans	-76.7	126.9	175.5	-69.5	0	0	0	0	110.5	G433 R443	G433-C436 WeakPolarHBondContact O-CB 3.26Å; G433-C436 PolarHBondContact O-N 2.77Å; C436-R443 VanDerWaalsContact O-CD 3.25Å; C436-R443 WeakPolarHBondContact O-CD 3.2Å
437	F	54.5	Low	71.4	Confident	48 Å²	48	62 Å²	62	21%	0.211	34%	0.343	C	S	.	.	S	Bend	trans	-102.6	-23.1	-179.3	-90.9	-116	0	0	0	113.8	T435 R443 N1878 Q1881	T435-F437 WeakPolarHBondContact O-CD2 3.39Å; F437-R443 VanDerWaalsContact CE1-NH1 3.31Å; F437-R443 VanDerWaalsContact CZ-CZ 3.45Å; F437-N1878 HydrophobicContact CE1-CB 4.49Å; F437-Q1881 HydrophobicContact CD1-CB 4.11Å; F437-Q1881 HydrophobicContact CD2-CB 4.23Å; F437-Q1881 VanDerWaalsContact CD2-CD 3.49Å; F437-Q1881 HydrophobicContact CD2-CG 4.12Å; F437-Q1881 VanDerWaalsContact CD2-OE1 3.27Å; F437-Q1881 HydrophobicContact CE1-CB 3.57Å; F437-Q1881 HydrophobicContact CE1-CG 4.13Å; F437-Q1881 HydrophobicContact CE2-CB 3.73Å; F437-Q1881 HydrophobicContact CE2-CG 3.37Å; F437-Q1881 HydrophobicContact CG-CB 4.4Å; F437-Q1881 HydrophobicContact CZ-CB 3.34Å; F437-Q1881 HydrophobicContact CZ-CG 3.34Å
438	D	57.5	Low	71.4	Confident	152 Å²	152	67.1 Å²	67.1	81%	0.813	36%	0.361	S	S	*	.	S	Bend	trans	-74.4	-29.7	-178.2	-54.5	-68.2	0	0	0	113.5
439	D	70	Confident	71.5	Confident	61 Å²	61	66.1 Å²	66.1	33%	0.326	35%	0.354	S	S	.	.			trans	-110.6	93.8	173.8	-158.6	-31.4	0	0	0	112.8	N441 I442 R443	D439-N441 PolarHBondContact O-N 3.04Å; D439-N441 WeakPolarHBondContact OD1-CA 3.4Å; D439-N441 VanDerWaalsContact OD1-CB 3.31Å; D439-N441 WeakPolarHBondContact OD1-CB 3.38Å; D439-N441 PolarHBondContact OD1-N 2.97Å; D439-I442 HydrophobicContact CB-CB 4.26Å; D439-I442 HydrophobicContact CB-CD1 3.89Å; D439-I442 HydrophobicContact CB-CG1 4.03Å; D439-I442 PolarHBondContact O-N 2.84Å; D439-I442 PolarHBondContact OD1-N 2.83Å; D439-R443 PolarHBondContact O-N 3.27Å
440	Q	68.9	Low	71.5	Confident	62 Å²	62	61.8 Å²	61.8	29%	0.29	33%	0.332	S	S	.	.	H	α-helix	trans	-58.1	-27.1	175.1	-160.8	-176.4	74.8	0	0	113.5	Q444 K1877	Q440-Q444 WeakPolarHBondContact O-CG 3.14Å; Q440-Q444 PolarHBondContact O-N 3.25Å; Q440-Q444 VanDerWaalsContact O-N 3.17Å; Q440-K1877 HydrophobicContact CG-CB 3.83Å; Q440-K1877 HydrophobicContact CG-CD 4.04Å; Q440-K1877 PolarHBondContact NE2-O 2.95Å
441	N	71.4	Confident	71.2	Confident	111 Å²	111	65 Å²	65	59%	0.594	35%	0.348	S	S	*	.	H	α-helix	trans	-79.1	-45.9	-179.1	-66.9	-38.7	0	0	0	111.6	D439 R443 Q444 A445	D439-N441 PolarHBondContact O-N 3.04Å; D439-N441 WeakPolarHBondContact OD1-CA 3.4Å; D439-N441 VanDerWaalsContact OD1-CB 3.31Å; D439-N441 WeakPolarHBondContact OD1-CB 3.38Å; D439-N441 PolarHBondContact OD1-N 2.97Å; N441-R443 VanDerWaalsContact C-N 3.28Å; N441-R443 PolarHBondContact O-N 3.23Å; N441-Q444 PolarHBondContact O-N 2.96Å; N441-A445 PolarHBondContact O-N 2.79Å
442	I	73.5	Confident	70.9	Confident	77 Å²	77	68.9 Å²	68.9	40%	0.395	37%	0.369	S	S	.	.	H	α-helix	trans	-55.7	-49	175.3	-64.3	177.8	0	0	0	109.2	D439 Q444 A445 E446	D439-I442 HydrophobicContact CB-CB 4.26Å; D439-I442 HydrophobicContact CB-CD1 3.89Å; D439-I442 HydrophobicContact CB-CG1 4.03Å; D439-I442 PolarHBondContact O-N 2.84Å; D439-I442 PolarHBondContact OD1-N 2.83Å; I442-Q444 VanDerWaalsContact C-N 3.35Å; I442-Q444 PolarHBondContact O-N 3.03Å; I442-A445 WeakPolarHBondContact O-CB 3.42Å; I442-A445 PolarHBondContact O-N 3.23Å; I442-A445 VanDerWaalsContact O-N 3.1Å; I442-E446 PolarHBondContact O-N 3.42Å
443	R	65.7	Low	71.2	Confident	29 Å²	29	65.5 Å²	65.5	11%	0.109	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-32.9	179.6	-174.9	152.9	178.8	-131.2	3	114.2	I434 C436 F437 D439 N441 L447 N1878	I434-R443 HydrophobicContact CG1-CG 4.46Å; I434-R443 VanDerWaalsContact O-CD 3.26Å; I434-R443 WeakPolarHBondContact O-CD 3.17Å; I434-R443 PolarHBondContact O-NE 2.85Å; C436-R443 VanDerWaalsContact O-CD 3.25Å; C436-R443 WeakPolarHBondContact O-CD 3.2Å; F437-R443 VanDerWaalsContact CE1-NH1 3.31Å; F437-R443 VanDerWaalsContact CZ-CZ 3.45Å; D439-R443 PolarHBondContact O-N 3.27Å; N441-R443 VanDerWaalsContact C-N 3.28Å; N441-R443 PolarHBondContact O-N 3.23Å; R443-L447 VanDerWaalsContact O-CB 3.23Å; R443-L447 WeakPolarHBondContact O-CB 3.33Å; R443-L447 PolarHBondContact O-N 3Å; R443-N1878 VanDerWaalsContact NH1-CB 3.27Å; R443-N1878 PolarHBondContact NH1-ND2 3.14Å; R443-N1878 PolarHBondContact NH1-OD1 2.89Å
444	Q	70.2	Confident	71.2	Confident	88 Å²	88	65.5 Å²	65.5	41%	0.411	35%	0.346	S	S	.	.	H	α-helix	trans	-72.9	-32.4	171.9	-76.4	-154.6	-53.3	0	0	112.9	Q440 N441 I442 K448 K1877	Q440-Q444 WeakPolarHBondContact O-CG 3.14Å; Q440-Q444 PolarHBondContact O-N 3.25Å; Q440-Q444 VanDerWaalsContact O-N 3.17Å; N441-Q444 PolarHBondContact O-N 2.96Å; I442-Q444 VanDerWaalsContact C-N 3.35Å; I442-Q444 PolarHBondContact O-N 3.03Å; Q444-K448 VanDerWaalsContact O-CB 3.3Å; Q444-K448 WeakPolarHBondContact O-CB 3.15Å; Q444-K448 PolarHBondContact O-N 2.79Å; Q444-K448 VanDerWaalsContact O-N 3.14Å; Q444-K1877 VanDerWaalsContact OE1-CE 3.32Å
445	A	74.9	Confident	71.3	Confident	63 Å²	63	69.1 Å²	69.1	52%	0.521	36%	0.362	S	S	.	.	H	α-helix	trans	-67.7	-46.5	174	0	0	0	0	0	111.5	N441 I442 K448 S449	N441-A445 PolarHBondContact O-N 2.79Å; I442-A445 WeakPolarHBondContact O-CB 3.42Å; I442-A445 PolarHBondContact O-N 3.23Å; I442-A445 VanDerWaalsContact O-N 3.1Å; A445-K448 WeakPolarHBondContact O-CB 3.35Å; A445-K448 PolarHBondContact O-N 3.06Å; A445-S449 PolarHBondContact O-N 2.83Å
446	E	78.4	Confident	71.7	Confident	37 Å²	37	68.7 Å²	68.7	17%	0.173	35%	0.354	C	S	.	.	H	α-helix	trans	-68.9	-41.1	178.9	-71.5	-169.3	-164.3	0	0	112.8	L431 G433 I434 I442 K448 S449 W450	L431-E446 VanDerWaalsContact CA-OE2 3.32Å; L431-E446 WeakPolarHBondContact CA-OE2 3.48Å; L431-E446 HydrophobicContact CB-CB 4.31Å; L431-E446 VanDerWaalsContact CB-OE2 3.3Å; L431-E446 WeakPolarHBondContact CB-OE2 3.05Å; L431-E446 HydrophobicContact CD2-CB 4.23Å; L431-E446 HydrophobicContact CD2-CG 4.09Å; G433-E446 VanDerWaalsContact C-OE2 3.23Å; G433-E446 VanDerWaalsContact CA-CD 3.42Å; G433-E446 VanDerWaalsContact CA-OE1 3.23Å; G433-E446 WeakPolarHBondContact CA-OE1 3.39Å; G433-E446 WeakPolarHBondContact CA-OE2 3.43Å; G433-E446 VanDerWaalsContact N-CD 3.3Å; G433-E446 PolarHBondContact N-OE1 3.15Å; G433-E446 PolarHBondContact N-OE2 2.89Å; I434-E446 HydrophobicContact CB-CB 4.49Å; I434-E446 PolarHBondContact N-OE2 2.8Å; I442-E446 PolarHBondContact O-N 3.42Å; E446-K448 PolarHBondContact O-N 3.4Å; E446-S449 CarbonylContact O-C 3.58Å; E446-S449 WeakPolarHBondContact O-CA 3.44Å; E446-S449 WeakPolarHBondContact O-CB 3.09Å; E446-S449 PolarHBondContact O-N 2.81Å; E446-W450 PolarHBondContact O-N 3.46Å
447	L	69.7	Low	72.7	Confident	71 Å²	71	65.9 Å²	65.9	37%	0.372	34%	0.335	S	S	.	.	H	α-helix	trans	-63.8	-32	174.4	-171	144	0	0	0	112	I434 R443 L451	I434-L447 HydrophobicContact CD1-CB 4.23Å; I434-L447 HydrophobicContact CG1-CB 4.42Å; R443-L447 VanDerWaalsContact O-CB 3.23Å; R443-L447 WeakPolarHBondContact O-CB 3.33Å; R443-L447 PolarHBondContact O-N 3Å; L447-L451 HydrophobicContact CD2-CD1 3.87Å; L447-L451 WeakPolarHBondContact O-CG 3.29Å; L447-L451 PolarHBondContact O-N 3.06Å
448	K	74.3	Confident	73.5	Confident	154 Å²	154	66 Å²	66	67%	0.67	33%	0.334	S	S	*	.	H	α-helix	trans	-69.4	-35.7	169.8	-172.5	-179.1	179.3	-176.2	0	112.2	Q444 A445 E446 N452	Q444-K448 VanDerWaalsContact O-CB 3.3Å; Q444-K448 WeakPolarHBondContact O-CB 3.15Å; Q444-K448 PolarHBondContact O-N 2.79Å; Q444-K448 VanDerWaalsContact O-N 3.14Å; A445-K448 WeakPolarHBondContact O-CB 3.35Å; A445-K448 PolarHBondContact O-N 3.06Å; E446-K448 PolarHBondContact O-N 3.4Å; K448-N452 WeakPolarHBondContact O-CB 3.43Å; K448-N452 PolarHBondContact O-N 2.84Å
449	S	79.5	Confident	74.1	Confident	40 Å²	40	60.8 Å²	60.8	28%	0.28	31%	0.309	S	S	.	.	H	α-helix	trans	-64.4	-46.8	172.8	-163.9	0	0	0	0	111.2	A445 E446 L451 N452 D453	A445-S449 PolarHBondContact O-N 2.83Å; E446-S449 CarbonylContact O-C 3.58Å; E446-S449 WeakPolarHBondContact O-CA 3.44Å; E446-S449 WeakPolarHBondContact O-CB 3.09Å; E446-S449 PolarHBondContact O-N 2.81Å; S449-L451 PolarHBondContact O-N 2.91Å; S449-N452 WeakPolarHBondContact O-CB 3.46Å; S449-N452 PolarHBondContact O-N 2.66Å; S449-N452 VanDerWaalsContact O-N 3.12Å; S449-D453 WeakPolarHBondContact O-CB 3.46Å; S449-D453 VanDerWaalsContact O-CG 3.27Å; S449-D453 PolarHBondContact O-N 3.41Å
450	W	80.7	Confident	74.6	Confident	39 Å²	39	57.9 Å²	57.9	15%	0.148	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-42.1	179.6	176.1	59.9	0	0	0	113.1	I288 W410 V427 L431 E446 N452 D453 S454	I288-W450 HydrophobicContact CB-CH2 4.21Å; I288-W450 HydrophobicContact CD1-CH2 4.15Å; I288-W450 HydrophobicContact CG1-CH2 3.91Å; I288-W450 HydrophobicContact CG2-CH2 3.55Å; I288-W450 HydrophobicContact CG2-CZ2 3.75Å; W410-W450 AromaticContact CH2-CD1 3.52Å; W410-W450 HydrophobicContact CH2-CG 4.49Å; W410-W450 AromaticContact CZ2-CD1 3.89Å; V427-W450 HydrophobicContact CG1-CG 4.17Å; L431-W450 HydrophobicContact CD1-CB 3.64Å; E446-W450 PolarHBondContact O-N 3.46Å; W450-N452 VanDerWaalsContact C-N 3.3Å; W450-N452 PolarHBondContact O-N 3Å; W450-D453 PolarHBondContact O-N 2.82Å; W450-S454 WeakPolarHBondContact O-CB 3.39Å; W450-S454 PolarHBondContact O-N 2.85Å; W450-S454 PolarHBondContact O-OG 2.82Å
451	L	72.9	Confident	75	Confident	93 Å²	93	56.2 Å²	56.2	49%	0.487	29%	0.286	S	S	.	.	H	α-helix	trans	-65.3	-33.6	175.6	-71.9	171.2	0	0	0	112.5	L447 S449 S454 H455	L447-L451 HydrophobicContact CD2-CD1 3.87Å; L447-L451 WeakPolarHBondContact O-CG 3.29Å; L447-L451 PolarHBondContact O-N 3.06Å; S449-L451 PolarHBondContact O-N 2.91Å; L451-S454 PolarHBondContact O-OG 2.86Å; L451-H455 WeakPolarHBondContact O-CB 3.46Å; L451-H455 PolarHBondContact O-N 3.38Å
452	N	76.5	Confident	74.8	Confident	94 Å²	94	54.3 Å²	54.3	50%	0.503	28%	0.275	S	S	.	.	H	α-helix	trans	-75.3	-39	175.9	-169.9	62.6	0	0	0	112	K448 S449 W450 R456	K448-N452 WeakPolarHBondContact O-CB 3.43Å; K448-N452 PolarHBondContact O-N 2.84Å; S449-N452 WeakPolarHBondContact O-CB 3.46Å; S449-N452 PolarHBondContact O-N 2.66Å; S449-N452 VanDerWaalsContact O-N 3.12Å; W450-N452 VanDerWaalsContact C-N 3.3Å; W450-N452 PolarHBondContact O-N 3Å; N452-R456 WeakPolarHBondContact O-CG 3.23Å; N452-R456 PolarHBondContact O-N 2.73Å
453	D	82.7	Confident	74.7	Confident	8 Å²	8	56 Å²	56	4%	0.043	28%	0.276	C	S	.	.	H	α-helix	trans	-69.2	-48.8	179.6	-73	13.2	0	0	0	111.7	I406 K409 W410 S449 W450 H455 R456 I457	I406-D453 HydrophobicContact CD1-CB 3.81Å; I406-D453 HydrophobicContact CG1-CB 4.31Å; K409-D453 IonicContact NZ-OD2 3.09Å; K409-D453 PolarHBondContact NZ-OD2 2.99Å; W410-D453 HydrophobicContact CZ2-CB 4.41Å; W410-D453 PolarHBondContact NE1-OD2 2.89Å; S449-D453 WeakPolarHBondContact O-CB 3.46Å; S449-D453 VanDerWaalsContact O-CG 3.27Å; S449-D453 PolarHBondContact O-N 3.41Å; W450-D453 PolarHBondContact O-N 2.82Å; D453-H455 VanDerWaalsContact C-N 3.3Å; D453-H455 PolarHBondContact O-N 3.12Å; D453-R456 PolarHBondContact O-N 3.42Å; D453-I457 WeakPolarHBondContact O-CG1 3.08Å; D453-I457 PolarHBondContact O-N 3.11Å
454	S	75.4	Confident	75.3	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-34.3	177.4	54.6	0	0	0	0	112.7	W450 L451 R458	W450-S454 WeakPolarHBondContact O-CB 3.39Å; W450-S454 PolarHBondContact O-N 2.85Å; W450-S454 PolarHBondContact O-OG 2.82Å; L451-S454 PolarHBondContact O-OG 2.86Å; S454-R458 VanDerWaalsContact O-CB 3.28Å; S454-R458 WeakPolarHBondContact O-CB 3.41Å; S454-R458 PolarHBondContact O-N 3.34Å
455	H	71.8	Confident	74.9	Confident	101 Å²	101	52.8 Å²	52.8	47%	0.468	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-41	170.8	-171	-53	0	0	0	112	L451 D453 R458 C459	L451-H455 WeakPolarHBondContact O-CB 3.46Å; L451-H455 PolarHBondContact O-N 3.38Å; D453-H455 VanDerWaalsContact C-N 3.3Å; D453-H455 PolarHBondContact O-N 3.12Å; H455-R458 PolarHBondContact O-N 3.31Å; H455-C459 VanDerWaalsContact CE1-SG 3.5Å; H455-C459 PolarHBondContact ND1-SG 3.38Å; H455-C459 VanDerWaalsContact ND1-SG 3.37Å; H455-C459 PolarHBondContact O-N 2.85Å; H455-C459 PolarHBondContact O-SG 3Å
456	R	77.1	Confident	74.1	Confident	53 Å²	53	54.5 Å²	54.5	20%	0.2	27%	0.268	C	S	.	.	H	α-helix	trans	-69.8	-42.5	179.2	-70.1	168.1	80.3	-149.9	4.2	111.8	R400 I406 N452 D453 R458 C459 L460	R400-R456 PolarHBondContact O-NE 3.43Å; R400-R456 PolarHBondContact O-NH2 3.31Å; I406-R456 HydrophobicContact CD1-CB 4.16Å; I406-R456 HydrophobicContact CG2-CB 4.4Å; N452-R456 WeakPolarHBondContact O-CG 3.23Å; N452-R456 PolarHBondContact O-N 2.73Å; D453-R456 PolarHBondContact O-N 3.42Å; R456-R458 VanDerWaalsContact C-N 3.3Å; R456-R458 PolarHBondContact O-N 2.73Å; R456-C459 WeakPolarHBondContact O-CB 3.27Å; R456-C459 PolarHBondContact O-N 3.18Å; R456-L460 WeakPolarHBondContact O-CG 3.16Å; R456-L460 PolarHBondContact O-N 3.04Å
457	I	80.2	Confident	72.6	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.6	-43.5	171.6	-64.9	167.6	0	0	0	110.5	L291 I406 L407 W410 Y411 D453 C459 L460 L461	L291-I457 HydrophobicContact CD1-CD1 3.88Å; L291-I457 HydrophobicContact CD1-CG2 4.4Å; L291-I457 HydrophobicContact CD2-CB 4.08Å; L291-I457 HydrophobicContact CD2-CG2 3.74Å; I406-I457 HydrophobicContact CG1-CG1 4.28Å; I406-I457 HydrophobicContact CG2-CG1 3.99Å; L407-I457 HydrophobicContact CD2-CG1 4.42Å; L407-I457 HydrophobicContact CD2-CG2 4.06Å; W410-I457 HydrophobicContact CB-CD1 3.72Å; W410-I457 HydrophobicContact CG-CD1 3.67Å; Y411-I457 HydrophobicContact CE2-CG2 4.2Å; D453-I457 WeakPolarHBondContact O-CG1 3.08Å; D453-I457 PolarHBondContact O-N 3.11Å; I457-C459 PolarHBondContact O-N 2.98Å; I457-L460 PolarHBondContact O-N 3.36Å; I457-L461 HydrophobicContact CG2-CD1 3.97Å; I457-L461 HydrophobicContact CG2-CG 4.49Å; I457-L461 WeakPolarHBondContact O-CG 3.34Å; I457-L461 PolarHBondContact O-N 3.06Å
458	R	71.3	Confident	71.1	Confident	49 Å²	49	56.4 Å²	56.4	19%	0.185	28%	0.282	C	S	.	.	H	α-helix	trans	-62	-41.6	175.6	-170.9	177.4	-176.3	-159.1	-3.5	112.3	C276 S454 H455 R456 L461 M462	C276-R458 PolarHBondContact O-NH2 3.25Å; S454-R458 VanDerWaalsContact O-CB 3.28Å; S454-R458 WeakPolarHBondContact O-CB 3.41Å; S454-R458 PolarHBondContact O-N 3.34Å; H455-R458 PolarHBondContact O-N 3.31Å; R456-R458 VanDerWaalsContact C-N 3.3Å; R456-R458 PolarHBondContact O-N 2.73Å; R458-L461 PolarHBondContact O-N 3.3Å; R458-M462 HydrophobicContact CG-CG 4.19Å; R458-M462 WeakPolarHBondContact O-CB 3.46Å; R458-M462 WeakPolarHBondContact O-CG 3.44Å; R458-M462 PolarHBondContact O-N 2.85Å
459	C	71.9	Confident	69.3	Low	44 Å²	44	56 Å²	56	30%	0.297	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-42.9	174.4	-71.7	0	0	0	0	112.4	H455 R456 I457 M462 R463	H455-C459 VanDerWaalsContact CE1-SG 3.5Å; H455-C459 PolarHBondContact ND1-SG 3.38Å; H455-C459 VanDerWaalsContact ND1-SG 3.37Å; H455-C459 PolarHBondContact O-N 2.85Å; H455-C459 PolarHBondContact O-SG 3Å; R456-C459 WeakPolarHBondContact O-CB 3.27Å; R456-C459 PolarHBondContact O-N 3.18Å; I457-C459 PolarHBondContact O-N 2.98Å; C459-M462 PolarHBondContact O-N 3.45Å; C459-R463 VanDerWaalsContact O-CB 3.31Å; C459-R463 WeakPolarHBondContact O-CB 3.5Å; C459-R463 PolarHBondContact O-N 3.22Å
460	L	79	Confident	66.9	Low	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-46.9	177.2	-70.6	169.7	0	0	0	112	I303 A307 L402 P404 I406 L407 R456 I457 R463 F464	I303-L460 HydrophobicContact CG2-CB 3.84Å; I303-L460 HydrophobicContact CG2-CD2 4.4Å; A307-L460 HydrophobicContact CB-CD2 4Å; L402-L460 WeakPolarHBondContact O-CD2 3.3Å; P404-L460 HydrophobicContact CB-CD1 4.49Å; I406-L460 HydrophobicContact CG2-CD1 3.66Å; L407-L460 HydrophobicContact CD1-CD1 4.22Å; L407-L460 HydrophobicContact CD2-CD1 4.48Å; L407-L460 HydrophobicContact CG-CD1 4.06Å; R456-L460 WeakPolarHBondContact O-CG 3.16Å; R456-L460 PolarHBondContact O-N 3.04Å; I457-L460 PolarHBondContact O-N 3.36Å; L460-R463 PolarHBondContact O-N 3.33Å; L460-F464 HydrophobicContact CD2-CD2 4.26Å; L460-F464 HydrophobicContact CD2-CE2 4.04Å; L460-F464 WeakPolarHBondContact O-CD2 3.3Å; L460-F464 PolarHBondContact O-N 3.16Å; L460-F464 VanDerWaalsContact O-N 3.16Å
461	L	77.4	Confident	64.4	Low	27 Å²	27	65.9 Å²	65.9	14%	0.141	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-49.6	175.4	-71.3	166.8	0	0	0	111.5	P292 L295 I303 I457 R458 R463 S465	P292-L461 HydrophobicContact CG-CD1 4.22Å; L295-L461 HydrophobicContact CD1-CD2 4.2Å; L295-L461 HydrophobicContact CD2-CD2 4.03Å; I303-L461 HydrophobicContact CD1-CD2 3.79Å; I457-L461 HydrophobicContact CG2-CD1 3.97Å; I457-L461 HydrophobicContact CG2-CG 4.49Å; I457-L461 WeakPolarHBondContact O-CG 3.34Å; I457-L461 PolarHBondContact O-N 3.06Å; R458-L461 PolarHBondContact O-N 3.3Å; L461-R463 VanDerWaalsContact C-N 3.27Å; L461-R463 PolarHBondContact O-N 3.37Å; L461-S465 WeakPolarHBondContact O-CB 3.44Å; L461-S465 PolarHBondContact O-N 2.96Å
462	M	68.5	Low	62.1	Low	71 Å²	71	66.3 Å²	66.3	35%	0.35	34%	0.342	S	S	.	.	H	α-helix	trans	-64.4	-26.3	-178.4	-70.5	-69.8	-57.4	0	0	113.9	F273 R458 C459	F273-M462 HydrophobicContact CD2-CE 3.95Å; F273-M462 HydrophobicContact CE1-CE 4.08Å; F273-M462 HydrophobicContact CE2-CE 3.37Å; F273-M462 HydrophobicContact CZ-CE 3.45Å; F273-M462 VanDerWaalsContact CZ-CE 3.45Å; R458-M462 HydrophobicContact CG-CG 4.19Å; R458-M462 WeakPolarHBondContact O-CB 3.46Å; R458-M462 WeakPolarHBondContact O-CG 3.44Å; R458-M462 PolarHBondContact O-N 2.85Å; C459-M462 PolarHBondContact O-N 3.45Å
463	R	71.6	Confident	59.7	Low	111 Å²	111	67.1 Å²	67.1	42%	0.419	36%	0.356	S	S	.	.	H	α-helix	trans	-91.4	-30.7	-176.7	-162.6	173.5	-169.7	138.3	-5	113.4	E310 C459 L460 L461	E310-R463 VanDerWaalsContact CD-CZ 3.49Å; E310-R463 IonicContact OE1-CZ 3.73Å; E310-R463 IonicContact OE1-NE 2.72Å; E310-R463 PolarHBondContact OE1-NE 3.17Å; E310-R463 IonicContact OE1-NH2 3.58Å; E310-R463 PolarHBondContact OE1-NH2 2.91Å; E310-R463 WeakPolarHBondContact OE2-CD 3.35Å; E310-R463 IonicContact OE2-CZ 2.71Å; E310-R463 IonicContact OE2-NE 3.44Å; E310-R463 PolarHBondContact OE2-NE 3.45Å; E310-R463 IonicContact OE2-NH2 3.4Å; E310-R463 PolarHBondContact OE2-NH2 3.23Å; C459-R463 VanDerWaalsContact O-CB 3.31Å; C459-R463 WeakPolarHBondContact O-CB 3.5Å; C459-R463 PolarHBondContact O-N 3.22Å; L460-R463 PolarHBondContact O-N 3.33Å; L461-R463 VanDerWaalsContact C-N 3.27Å; L461-R463 PolarHBondContact O-N 3.37Å
464	F	77	Confident	56.9	Low	6 Å²	6	72 Å²	72	3%	0.026	39%	0.39	C	S	.	.	H	α-helix	trans	-121.7	-9.8	-168.3	-58.9	-62.2	0	0	0	115.3	I303 N306 A307 E310 L402 L460 D466	I303-F464 HydrophobicContact CB-CB 4.31Å; I303-F464 HydrophobicContact CG1-CB 3.94Å; I303-F464 HydrophobicContact CG2-CB 4.25Å; I303-F464 HydrophobicContact CG2-CD2 4.08Å; N306-F464 HydrophobicContact CB-CD1 3.45Å; N306-F464 VanDerWaalsContact CB-CD1 3.45Å; N306-F464 HydrophobicContact CB-CE1 3.79Å; N306-F464 HydrophobicContact CB-CG 4.08Å; A307-F464 HydrophobicContact CB-CD2 4.24Å; A307-F464 HydrophobicContact CB-CE2 3.58Å; A307-F464 HydrophobicContact CB-CZ 3.97Å; E310-F464 HydrophobicContact CB-CZ 4.42Å; E310-F464 WeakPolarHBondContact OE2-CZ 3.29Å; L402-F464 HydrophobicContact CD2-CE2 4.03Å; L402-F464 HydrophobicContact CD2-CZ 4.1Å; L460-F464 HydrophobicContact CD2-CD2 4.26Å; L460-F464 HydrophobicContact CD2-CE2 4.04Å; L460-F464 WeakPolarHBondContact O-CD2 3.3Å; L460-F464 PolarHBondContact O-N 3.16Å; L460-F464 VanDerWaalsContact O-N 3.16Å; F464-D466 PolarHBondContact O-N 2.81Å
465	S	63.3	Low	54.4	Low	45 Å²	45	76.2 Å²	76.2	32%	0.315	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-69.3	-28.5	-177.1	-169.8	0	0	0	0	114.7	L461 S468	L461-S465 WeakPolarHBondContact O-CB 3.44Å; L461-S465 PolarHBondContact O-N 2.96Å; S465-S468 PolarHBondContact O-OG 3.03Å
466	D	56.4	Low	52.3	Low	99 Å²	99	77.9 Å²	77.9	53%	0.529	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-81.9	-12.2	-175.7	-81.6	-51.2	0	0	0	114.2	F464 S468	F464-D466 PolarHBondContact O-N 2.81Å; D466-S468 PolarHBondContact O-N 2.86Å; D466-S468 VanDerWaalsContact O-N 3.09Å
467	Q	47.7	Very low	49.9	Very low	84 Å²	84	79.4 Å²	79.4	39%	0.393	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-74.5	4.3	-178.3	-72.2	176.6	-45.2	0	0	114.2	Q302 N306	Q302-Q467 PolarHBondContact NE2-O 2.99Å; N306-Q467 PolarHBondContact ND2-OE1 3.05Å
468	S	37.6	Very low	47.4	Very low	63 Å²	63	89.9 Å²	89.9	44%	0.441	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-90	-17.6	-175.7	56.8	0	0	0	0	115.2	S465 D466	S465-S468 PolarHBondContact O-OG 3.03Å; D466-S468 PolarHBondContact O-N 2.86Å; D466-S468 VanDerWaalsContact O-N 3.09Å
469	Q	36.5	Very low	45.2	Very low	145 Å²	145	97.2 Å²	97.2	68%	0.678	53%	0.53	S	S	*	.	S	Bend	trans	-102.2	5.6	-172.5	-58.2	-160.6	-67.6	0	0	115.4
470	I	30.7	Very low	43.2	Very low	149 Å²	149	102.5 Å²	102.5	76%	0.764	56%	0.555	S	S	*	*	S	Bend	trans	-98.3	-11.9	-174.6	-63.1	176	0	0	0	112.6
471	I	27.4	Very low	40.7	Very low	138 Å²	138	107.5 Å²	107.5	71%	0.708	59%	0.59	S	S	*	*	S	Bend	trans	-107.4	113.4	-175	-57.6	179.3	0	0	0	112
472	S	24.8	Very low	38.3	Very low	102 Å²	102	112.3 Å²	112.3	71%	0.713	62%	0.616	S	S	*	*			trans	75.1	145.9	159.1	77.8	0	0	0	0	119.9
473	S	25.2	Very low	36.3	Very low	111 Å²	111	115.9 Å²	115.9	78%	0.776	63%	0.633	S	S	*	*			trans	66.6	132.3	176.5	72.7	0	0	0	0	118.1
474	S	23.7	Very low	34.1	Very low	111 Å²	111	118.3 Å²	118.3	78%	0.776	65%	0.649	S	S	*	*			cis	-167.4	131.4	-25.7	39.3	0	0	0	0	110.9
475	A	24.3	Very low	31.9	Very low	91 Å²	91	124.4 Å²	124.4	75%	0.752	68%	0.681	S	S	*	*			trans	32.8	109.1	151.3	0	0	0	0	0	120.6
476	T	27.7	Very low	30.1	Very low	136 Å²	136	127.6 Å²	127.6	83%	0.834	70%	0.7	S	S	*	*				-174.7	122.8	108.7	37.5	0	0	0	0	108.5
477	S	25	Very low	29.1	Very low	86 Å²	86	125.2 Å²	125.2	60%	0.601	69%	0.69	S	S	*	*			cis	112.7	74	19.1	74.7	0	0	0	0	114.3
478	Y	28.5	Very low	28.3	Very low	220 Å²	220	125.7 Å²	125.7	86%	0.863	70%	0.7	S	S	*	*			trans	-134.2	88	143.8	-84.9	-85.9	0	0	0	106.5
479	R	26	Very low	27.8	Very low	202 Å²	202	128.6 Å²	128.6	76%	0.762	71%	0.711	S	S	*	*				71.4	111.3	95.6	-75.6	-177.8	173.4	178.6	-1.2	111.7
480	L	29.6	Very low	27.6	Very low	156 Å²	156	125.9 Å²	125.9	82%	0.817	70%	0.704	S	S	*	*				56.1	117.1	68.4	-59	162.5	0	0	0	109.8
481	S	26	Very low	27.5	Very low	104 Å²	104	123.2 Å²	123.2	73%	0.727	69%	0.688	S	S	*	*				-155.1	170.1	61.9	27.5	0	0	0	0	112.5
482	D	27.4	Very low	27.8	Very low	128 Å²	128	122.4 Å²	122.4	68%	0.684	68%	0.677	S	S	*	*			cis	-164.6	160	-9	-99.3	-22.1	0	0	0	109.8
483	M	26.7	Very low	27.9	Very low	147 Å²	147	119.2 Å²	119.2	72%	0.724	65%	0.654	S	S	*	*			trans	57.6	143.6	145	-68.8	173.9	89.6	0	0	121.4
484	E	24.8	Very low	28.2	Very low	161 Å²	161	119.6 Å²	119.6	75%	0.752	64%	0.643	S	S	*	*			cis	-160.7	167.3	-15.8	-132.5	166.8	-152.9	0	0	112.8
485	I	30.4	Very low	28.4	Very low	135 Å²	135	117.9 Å²	117.9	69%	0.692	63%	0.632	S	S	*	*			trans	-69.2	145	167	-70	156.3	0	0	0	107.9
486	P	26.4	Very low	28.5	Very low	111 Å²	111	120.4 Å²	120.4	72%	0.721	63%	0.632	S	S	*	*				-145.6	176.7	59	29.6	-4.1	0	0	0	118.8	Y515	P486-Y515 WeakPolarHBondContact CA-OH 3.41Å
487	T	35.3	Very low	28.4	Very low	49 Å²	49	119.2 Å²	119.2	30%	0.301	63%	0.625	S	S	.	*			trans	-100.9	146.6	173.6	70.7	0	0	0	0	104	Y515	T487-Y515 VanDerWaalsContact CG2-CB 3.47Å; T487-Y515 HydrophobicContact CG2-CD1 2.3Å; T487-Y515 HydrophobicContact CG2-CD2 2.31Å; T487-Y515 HydrophobicContact CG2-CE1 2.3Å; T487-Y515 HydrophobicContact CG2-CE2 2.3Å; T487-Y515 HydrophobicContact CG2-CG 2.3Å; T487-Y515 WeakPolarHBondContact CG2-OH 3.4Å; T487-Y515 PolarHBondContact N-OH 2.9Å; T487-Y515 WeakPolarHBondContact OG1-CD1 3.48Å; T487-Y515 WeakPolarHBondContact OG1-CE1 3.24Å
488	P	30.1	Very low	28.4	Very low	95 Å²	95	121.7 Å²	121.7	62%	0.617	63%	0.632	S	S	*	*				-165.9	180	80.1	45	-22.8	0	0	0	118.6
489	N	28.2	Very low	28.3	Very low	124 Å²	124	116.1 Å²	116.1	66%	0.663	63%	0.625	S	S	*	*			trans	58.2	153.1	134.3	-73.7	14.2	0	0	0	123.7
490	T	31.4	Very low	28.4	Very low	87 Å²	87	114.2 Å²	114.2	53%	0.534	63%	0.628	S	S	.	*			cis	-167.5	147.9	-20.5	23.7	0	0	0	0	110.1
491	E	29.4	Very low	28.5	Very low	94 Å²	94	111.5 Å²	111.5	44%	0.439	62%	0.62	S	S	.	*			trans	53.2	139.9	140.2	-64.9	180	-144.6	0	0	124.3	V85	V85-E491 CarbonylContact O-C 3.4Å; V85-E491 WeakPolarHBondContact O-CA 3.06Å; V85-E491 PolarHBondContact O-N 3.09Å
492	R	32.6	Very low	28.6	Very low	121 Å²	121	113.6 Å²	113.6	46%	0.457	62%	0.623	S	S	.	*			trans	168	4.9	157.5	-56.4	154.1	-152.2	-119.1	6.9	120.6	S82 Q83 S84 V85	S82-R492 VanDerWaalsContact CB-NH1 3.26Å; S82-R492 PolarHBondContact O-NH2 2.76Å; S82-R492 PolarHBondContact OG-NH1 3.36Å; S82-R492 PolarHBondContact OG-NH2 2.86Å; Q83-R492 HydrophobicContact CB-CG 3.65Å; Q83-R492 HydrophobicContact CG-CG 4.33Å; Q83-R492 VanDerWaalsContact OE1-CD 3.27Å; S84-R492 PolarHBondContact O-N 3.02Å; V85-R492 PolarHBondContact O-N 3.31Å
493	S	28.1	Very low	28.6	Very low	34 Å²	34	112.5 Å²	112.5	24%	0.238	63%	0.625	C	S	.	*			trans	58	162.8	141.5	77.4	0	0	0	0	127.5	Q83 S84	Q83-S493 VanDerWaalsContact CB-CB 3.43Å; Q83-S493 WeakPolarHBondContact CG-OG 3.47Å; Q83-S493 PolarHBondContact NE2-OG 3.19Å; S84-S493 PolarHBondContact O-N 2.92Å
494	Q	31	Very low	28.7	Very low	119 Å²	119	112 Å²	112	56%	0.556	63%	0.625	S	S	*	*			trans	57.8	157.7	141.1	-79.3	-176.2	-12.2	0	0	120.4	Q83	Q83-Q494 VanDerWaalsContact CG-CD 3.5Å; Q83-Q494 HydrophobicContact CG-CG 4.13Å; Q83-Q494 VanDerWaalsContact CG-OE1 3.26Å
495	S	28	Very low	28.8	Very low	76 Å²	76	114.2 Å²	114.2	53%	0.531	63%	0.627	S	S	.	*			cis	-173.5	162.7	-16.3	53.1	0	0	0	0	110
496	N	26.3	Very low	28.8	Very low	143 Å²	143	114.9 Å²	114.9	77%	0.765	63%	0.627	S	S	*	*			trans	68.9	159.1	162	-53.6	-23.9	0	0	0	114.9
497	T	25.9	Very low	28.8	Very low	111 Å²	111	114.9 Å²	114.9	68%	0.681	63%	0.625	S	S	*	*			cis	-154.4	162.5	-3.2	-3.2	0	0	0	0	109.4
498	D	25.4	Very low	28.4	Very low	139 Å²	139	118.4 Å²	118.4	74%	0.743	64%	0.642	S	S	*	*			trans	43.1	127.7	146.9	-53.3	-26.7	0	0	0	122.9
499	S	25.3	Very low	28.5	Very low	102 Å²	102	118.9 Å²	118.9	71%	0.713	64%	0.638	S	S	*	*			trans	81.9	112.3	132.7	77.4	0	0	0	0	121.7
500	I	27.6	Very low	28.6	Very low	162 Å²	162	115.6 Å²	115.6	83%	0.831	62%	0.622	S	S	*	*			trans	65.7	-173.6	152	-7.6	-173.8	0	0	0	115.8
501	P	33.2	Very low	28.6	Very low	99 Å²	99	114.2 Å²	114.2	64%	0.643	61%	0.611	S	S	*	*				-123.5	-178.9	-121.6	44	-27.3	0	0	0	116.8
502	N	27.6	Very low	28.8	Very low	148 Å²	148	120 Å²	120	79%	0.791	63%	0.629	S	S	*	*			trans	82.1	125.8	158.9	-66.9	-22.4	0	0	0	120.7
503	S	27.6	Very low	28.6	Very low	105 Å²	105	118 Å²	118	73%	0.734	63%	0.634	S	S	*	*			trans	91.8	125.7	138.3	80	0	0	0	0	121.4
504	N	27.2	Very low	28.7	Very low	137 Å²	137	120.2 Å²	120.2	73%	0.733	65%	0.649	S	S	*	*			trans	71.8	114.1	137	-70.8	-28.6	0	0	0	122.6
505	R	28.2	Very low	28.5	Very low	208 Å²	208	120.4 Å²	120.4	79%	0.785	65%	0.646	S	S	*	*			trans	89.2	114.1	130.5	-69.8	175.8	179.2	-167.9	0.3	121.6
506	Q	29.2	Very low	28.8	Very low	149 Å²	149	122 Å²	122	70%	0.696	65%	0.652	S	S	*	*				87.4	123.5	123.9	-69.8	177.4	-99.2	0	0	121.9
507	T	27.8	Very low	28.9	Very low	110 Å²	110	124.9 Å²	124.9	68%	0.675	66%	0.658	S	S	*	*			trans	82.7	104.9	136.8	50	0	0	0	0	122.7
508	D	26.8	Very low	29	Very low	124 Å²	124	126.2 Å²	126.2	66%	0.663	66%	0.656	S	S	*	*				74.1	89.6	115.1	-61.4	19.6	0	0	0	122.4
509	M	31.3	Very low	29	Very low	105 Å²	105	129.5 Å²	129.5	52%	0.517	66%	0.664	S	S	.	*				80.2	148.6	110.6	-81.2	-73.2	-163.8	0	0	123.2	R90 E635	R90-M509 PolarHBondContact NH2-O 3Å; M509-E635 VanDerWaalsContact CE-OE1 3.27Å; M509-E635 WeakPolarHBondContact CE-OE1 3.42Å
510	T	31.6	Very low	29	Very low	54 Å²	54	133.5 Å²	133.5	33%	0.331	67%	0.665	S	S	.	*			trans	59.9	109	148.3	37	0	0	0	0	123.2	Q88 R90	Q88-T510 WeakPolarHBondContact CG-O 3.49Å; Q88-T510 PolarHBondContact NE2-O 3.33Å; R90-T510 PolarHBondContact NE-OG1 2.81Å; R90-T510 PolarHBondContact NH2-OG1 2.83Å
511	D	31	Very low	29	Very low	58 Å²	58	132 Å²	132	31%	0.31	66%	0.659	S	S	.	*				133.5	118.9	92.3	-103.1	-33.7	0	0	0	116.6	Q88 S89	Q88-D511 CarbonylContact C-O 3.41Å; Q88-D511 WeakPolarHBondContact CA-O 3.31Å; Q88-D511 WeakPolarHBondContact CG-O 3.43Å; S89-D511 PolarHBondContact N-O 2.85Å
512	R	33.5	Very low	28.6	Very low	215 Å²	215	135.5 Å²	135.5	81%	0.811	66%	0.664	S	S	*	*			trans	51.9	126	141.7	-57.7	171.7	176.5	-152.8	-7.1	122.7	Q88	Q88-R512 WeakPolarHBondContact CA-O 3.3Å
513	S	28.7	Very low	28.6	Very low	80 Å²	80	133.7 Å²	133.7	56%	0.559	65%	0.65	S	S	*	*				-160.3	170.3	128.9	56.5	0	0	0	0	109.2	Q87	Q87-S513 PolarHBondContact N-OG 2.99Å; Q87-S513 WeakPolarHBondContact O-CB 3.3Å; Q87-S513 PolarHBondContact O-OG 2.89Å
514	S	29.5	Very low	28.8	Very low	80 Å²	80	130.9 Å²	130.9	56%	0.559	63%	0.631	S	S	*	*			trans	-125.5	167.1	-162.5	50.4	0	0	0	0	113.9
515	Y	26.7	Very low	29.1	Very low	123 Å²	123	129.5 Å²	129.5	48%	0.482	62%	0.62	S	S	.	*				-170.7	-177.9	117.9	-117.1	-105.5	0	0	0	113.2	P486 T487	P486-Y515 WeakPolarHBondContact CA-OH 3.41Å; T487-Y515 VanDerWaalsContact CG2-CB 3.47Å; T487-Y515 HydrophobicContact CG2-CD1 2.3Å; T487-Y515 HydrophobicContact CG2-CD2 2.31Å; T487-Y515 HydrophobicContact CG2-CE1 2.3Å; T487-Y515 HydrophobicContact CG2-CE2 2.3Å; T487-Y515 HydrophobicContact CG2-CG 2.3Å; T487-Y515 WeakPolarHBondContact CG2-OH 3.4Å; T487-Y515 PolarHBondContact N-OH 2.9Å; T487-Y515 WeakPolarHBondContact OG1-CD1 3.48Å; T487-Y515 WeakPolarHBondContact OG1-CE1 3.24Å
516	V	33.9	Very low	29.3	Very low	111 Å²	111	122.8 Å²	122.8	67%	0.673	60%	0.602	S	S	*	*			trans	-125.3	154.2	-169.4	172.4	0	0	0	0	111.6
517	K	28.5	Very low	29.6	Very low	202 Å²	202	119.7 Å²	119.7	88%	0.878	59%	0.588	S	S	*	*			trans	-155.2	132.5	155.3	-122.3	168.6	-173.6	172.6	0	112.8
518	E	27.7	Very low	30.2	Very low	139 Å²	139	121.9 Å²	121.9	65%	0.65	58%	0.584	S	S	*	*			trans	-86.7	161.1	-174.8	-52.3	115.6	132.2	0	0	114.1
519	K	26.4	Very low	30.5	Very low	208 Å²	208	119.6 Å²	119.6	90%	0.904	57%	0.569	S	S	*	*			trans	-144.1	123.7	139.8	-109.9	-173.2	177.2	-169.2	0	109.4
520	Y	25.7	Very low	30.8	Very low	187 Å²	187	118.9 Å²	118.9	73%	0.733	57%	0.566	S	S	*	*			trans	-63	139.8	-178.9	-62.9	-100	0	0	0	111.6
521	N	26.1	Very low	31	Very low	131 Å²	131	120.4 Å²	120.4	70%	0.701	57%	0.569	S	S	*	*			trans	-151.3	141.1	150.3	-98	-1.1	0	0	0	106.2	Q523	N521-Q523 PolarHBondContact O-N 3.11Å
522	F	25.4	Very low	31.4	Very low	171 Å²	171	121.9 Å²	121.9	75%	0.75	58%	0.577	S	S	*	*			trans	-78.7	77.1	-165.7	-76.6	-89	0	0	0	113.7	S524	F522-S524 PolarHBondContact O-N 2.8Å
523	Q	27.4	Very low	31.3	Very low	110 Å²	110	115.4 Å²	115.4	51%	0.514	56%	0.561	S	S	.	*			trans	-70.5	115.1	168.5	-163.8	165.4	-5.7	0	0	109	N521 E527 E531	N521-Q523 PolarHBondContact O-N 3.11Å; Q523-E527 HydrophobicContact CG-CB 3.53Å; Q523-E527 HydrophobicContact CG-CG 4.44Å; Q523-E531 PolarHBondContact NE2-OE1 3.21Å
524	S	31.5	Very low	31.5	Very low	47 Å²	47	116.6 Å²	116.6	33%	0.329	56%	0.561	S	S	.	*			trans	-66.3	161.6	-169.3	61.3	0	0	0	0	113.1	F522 V526 E527 R528	F522-S524 PolarHBondContact O-N 2.8Å; S524-V526 PolarHBondContact O-N 3.24Å; S524-E527 VanDerWaalsContact CB-OE2 3.32Å; S524-E527 WeakPolarHBondContact CB-OE2 3.18Å; S524-E527 PolarHBondContact N-OE2 2.77Å; S524-E527 CarbonylContact O-C 3.44Å; S524-E527 WeakPolarHBondContact O-CA 3.32Å; S524-E527 PolarHBondContact O-N 2.91Å; S524-E527 WeakPolarHBondContact OG-CG 3.46Å; S524-E527 PolarHBondContact OG-N 2.87Å; S524-E527 VanDerWaalsContact OG-N 3.1Å; S524-E527 PolarHBondContact OG-OE2 3.07Å; S524-R528 PolarHBondContact O-N 2.91Å
525	E	33.8	Very low	31.6	Very low	108 Å²	108	119.3 Å²	119.3	51%	0.505	56%	0.564	S	S	.	*	H	α-helix	trans	-60.3	-26.5	172.3	-177.8	58.5	-160.6	0	0	111.8	Q529	E525-Q529 WeakPolarHBondContact O-CB 3.48Å; E525-Q529 WeakPolarHBondContact O-CG 3.5Å; E525-Q529 PolarHBondContact O-N 3.22Å; E525-Q529 PolarHBondContact OE1-NE2 3.5Å
526	V	32.8	Very low	31.9	Very low	67 Å²	67	117.9 Å²	117.9	41%	0.406	57%	0.565	S	S	.	*	H	α-helix	trans	-66.4	-46.1	169.9	177.4	0	0	0	0	110.9	F273 S524 Q529 I530	F273-V526 HydrophobicContact CE1-CG2 4.21Å; F273-V526 HydrophobicContact CZ-CG2 3.78Å; S524-V526 PolarHBondContact O-N 3.24Å; V526-Q529 PolarHBondContact O-N 2.83Å; V526-I530 HydrophobicContact CG1-CD1 3.89Å; V526-I530 WeakPolarHBondContact O-CB 3.25Å; V526-I530 WeakPolarHBondContact O-CD1 3.12Å; V526-I530 WeakPolarHBondContact O-CG1 3.47Å; V526-I530 PolarHBondContact O-N 3.08Å
527	E	36.5	Very low	31.7	Very low	83 Å²	83	118.7 Å²	118.7	39%	0.388	57%	0.566	S	S	.	*	H	α-helix	trans	-69	-32.6	175.7	-72.6	158.7	120.5	0	0	112.7	Q523 S524 I530 E531	Q523-E527 HydrophobicContact CG-CB 3.53Å; Q523-E527 HydrophobicContact CG-CG 4.44Å; S524-E527 VanDerWaalsContact CB-OE2 3.32Å; S524-E527 WeakPolarHBondContact CB-OE2 3.18Å; S524-E527 PolarHBondContact N-OE2 2.77Å; S524-E527 CarbonylContact O-C 3.44Å; S524-E527 WeakPolarHBondContact O-CA 3.32Å; S524-E527 PolarHBondContact O-N 2.91Å; S524-E527 WeakPolarHBondContact OG-CG 3.46Å; S524-E527 PolarHBondContact OG-N 2.87Å; S524-E527 VanDerWaalsContact OG-N 3.1Å; S524-E527 PolarHBondContact OG-OE2 3.07Å; E527-I530 CarbonylContact O-C 3.58Å; E527-I530 PolarHBondContact O-N 3Å; E527-E531 PolarHBondContact O-N 3.44Å
528	R	39	Very low	31.9	Very low	157 Å²	157	117 Å²	117	59%	0.592	56%	0.561	S	S	*	*	H	α-helix	trans	-68.6	-40.3	173.2	-171.7	179.4	-177	163.1	1.3	112	S524 E531 L532	S524-R528 PolarHBondContact O-N 2.91Å; R528-E531 PolarHBondContact O-N 3.29Å; R528-L532 HydrophobicContact CG-CD1 4.46Å; R528-L532 WeakPolarHBondContact O-CB 3.43Å; R528-L532 WeakPolarHBondContact O-CG 3.4Å; R528-L532 PolarHBondContact O-N 3.25Å
529	Q	34.1	Very low	32.1	Very low	76 Å²	76	116.6 Å²	116.6	36%	0.355	56%	0.563	S	S	.	*	H	α-helix	trans	-72	-31.6	172.5	-72.1	-175.9	34.4	0	0	111.6	E525 V526 L532 V533	E525-Q529 WeakPolarHBondContact O-CB 3.48Å; E525-Q529 WeakPolarHBondContact O-CG 3.5Å; E525-Q529 PolarHBondContact O-N 3.22Å; E525-Q529 PolarHBondContact OE1-NE2 3.5Å; V526-Q529 PolarHBondContact O-N 2.83Å; Q529-L532 PolarHBondContact O-N 3.4Å; Q529-V533 WeakPolarHBondContact O-CB 3.5Å; Q529-V533 VanDerWaalsContact O-CG2 3.23Å; Q529-V533 WeakPolarHBondContact O-CG2 3.28Å; Q529-V533 PolarHBondContact O-N 2.78Å
530	I	36.6	Very low	32.2	Very low	89 Å²	89	109.8 Å²	109.8	46%	0.456	54%	0.536	S	S	.	.	H	α-helix	trans	-63.8	-41.6	168	-73.4	164.6	0	0	0	110.9	V526 E527 V533 L534	V526-I530 HydrophobicContact CG1-CD1 3.89Å; V526-I530 WeakPolarHBondContact O-CB 3.25Å; V526-I530 WeakPolarHBondContact O-CD1 3.12Å; V526-I530 WeakPolarHBondContact O-CG1 3.47Å; V526-I530 PolarHBondContact O-N 3.08Å; E527-I530 CarbonylContact O-C 3.58Å; E527-I530 PolarHBondContact O-N 3Å; I530-V533 PolarHBondContact O-N 3.06Å; I530-L534 HydrophobicContact CG2-CD1 3.7Å; I530-L534 HydrophobicContact CG2-CG 4.28Å; I530-L534 WeakPolarHBondContact O-CB 3.14Å; I530-L534 WeakPolarHBondContact O-CG 3.46Å; I530-L534 PolarHBondContact O-N 2.78Å
531	E	35.7	Very low	32.3	Very low	86 Å²	86	105.1 Å²	105.1	40%	0.402	53%	0.531	S	S	.	.	H	α-helix	trans	-68.6	-38.9	174.6	-80.2	-168.5	171.6	0	0	113.1	Q523 E527 R528 V533 L534 Q535	Q523-E531 PolarHBondContact NE2-OE1 3.21Å; E527-E531 PolarHBondContact O-N 3.44Å; R528-E531 PolarHBondContact O-N 3.29Å; E531-V533 VanDerWaalsContact C-N 3.3Å; E531-V533 PolarHBondContact O-N 3.38Å; E531-L534 PolarHBondContact O-N 3.06Å; E531-Q535 WeakPolarHBondContact O-CB 3.21Å; E531-Q535 WeakPolarHBondContact O-CG 3.44Å; E531-Q535 PolarHBondContact O-N 2.8Å
532	L	39.4	Very low	32.2	Very low	90 Å²	90	105.2 Å²	105.2	47%	0.471	53%	0.532	S	S	.	.	H	α-helix	trans	-65	-33.8	172.6	-76.8	165.5	0	0	0	112.2	R528 Q529 N536	R528-L532 HydrophobicContact CG-CD1 4.46Å; R528-L532 WeakPolarHBondContact O-CB 3.43Å; R528-L532 WeakPolarHBondContact O-CG 3.4Å; R528-L532 PolarHBondContact O-N 3.25Å; Q529-L532 PolarHBondContact O-N 3.4Å; L532-N536 PolarHBondContact O-N 2.98Å; L532-N536 PolarHBondContact O-ND2 2.94Å
533	V	33	Very low	32.1	Very low	78 Å²	78	102.9 Å²	102.9	47%	0.473	54%	0.535	S	S	.	.	H	α-helix	trans	-66.3	-49.7	168.7	164.9	0	0	0	0	110	Q529 I530 E531 Q535 N536 N540	Q529-V533 WeakPolarHBondContact O-CB 3.5Å; Q529-V533 VanDerWaalsContact O-CG2 3.23Å; Q529-V533 WeakPolarHBondContact O-CG2 3.28Å; Q529-V533 PolarHBondContact O-N 2.78Å; I530-V533 PolarHBondContact O-N 3.06Å; E531-V533 VanDerWaalsContact C-N 3.3Å; E531-V533 PolarHBondContact O-N 3.38Å; V533-Q535 VanDerWaalsContact C-N 3.34Å; V533-Q535 PolarHBondContact O-N 2.99Å; V533-N536 PolarHBondContact O-N 3.01Å; V533-N540 WeakPolarHBondContact CG1-OD1 3.32Å; V533-N540 PolarHBondContact O-ND2 2.84Å
534	L	31.7	Very low	32.1	Very low	106 Å²	106	106.7 Å²	106.7	56%	0.555	55%	0.55	S	S	*	*	H	α-helix	trans	-66.1	-28	-177.7	-73.1	168.5	0	0	0	114.2	I530 E531	I530-L534 HydrophobicContact CG2-CD1 3.7Å; I530-L534 HydrophobicContact CG2-CG 4.28Å; I530-L534 WeakPolarHBondContact O-CB 3.14Å; I530-L534 WeakPolarHBondContact O-CG 3.46Å; I530-L534 PolarHBondContact O-N 2.78Å; E531-L534 PolarHBondContact O-N 3.06Å
535	Q	32.5	Very low	31.8	Very low	136 Å²	136	110.9 Å²	110.9	64%	0.636	57%	0.573	S	S	*	*	H	α-helix	trans	-81.1	-23.3	176.5	-70.5	-178.8	24.7	0	0	112.9	E531 V533 N537	E531-Q535 WeakPolarHBondContact O-CB 3.21Å; E531-Q535 WeakPolarHBondContact O-CG 3.44Å; E531-Q535 PolarHBondContact O-N 2.8Å; V533-Q535 VanDerWaalsContact C-N 3.34Å; V533-Q535 PolarHBondContact O-N 2.99Å; Q535-N537 VanDerWaalsContact C-N 3.27Å; Q535-N537 PolarHBondContact O-N 3.05Å; Q535-N537 PolarHBondContact O-ND2 3.29Å
536	N	31.5	Very low	31.5	Very low	94 Å²	94	114 Å²	114	50%	0.503	59%	0.587	S	S	.	*			trans	-78.7	73	173.9	-80.7	-48.6	0	0	0	111.6	L532 V533 E538 L539	L532-N536 PolarHBondContact O-N 2.98Å; L532-N536 PolarHBondContact O-ND2 2.94Å; V533-N536 PolarHBondContact O-N 3.01Å; N536-E538 PolarHBondContact O-N 3.49Å; N536-L539 PolarHBondContact O-N 2.91Å
537	N	31.2	Very low	31.2	Very low	127 Å²	127	117.7 Å²	117.7	68%	0.679	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-3.2	-175.3	-74.9	-76.4	0	0	0	115.9	Q535	Q535-N537 VanDerWaalsContact C-N 3.27Å; Q535-N537 PolarHBondContact O-N 3.05Å; Q535-N537 PolarHBondContact O-ND2 3.29Å
538	E	32.4	Very low	30.6	Very low	166 Å²	166	121.4 Å²	121.4	78%	0.776	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	4.6	179	-61.6	-170.7	165.6	0	0	114.4	N536	N536-E538 PolarHBondContact O-N 3.49Å
539	L	31.2	Very low	29.9	Very low	131 Å²	131	118.7 Å²	118.7	69%	0.686	60%	0.604	S	S	*	*	S	Bend	trans	-125.6	0.4	-177.5	-75.9	167.7	0	0	0	115.2	N536	N536-L539 PolarHBondContact O-N 2.91Å
540	N	28.3	Very low	29.5	Very low	65 Å²	65	120.5 Å²	120.5	35%	0.348	61%	0.613	S	S	.	*			trans	-107.9	16.9	-170.8	-71.3	-24.8	0	0	0	115.7	V533	V533-N540 WeakPolarHBondContact CG1-OD1 3.32Å; V533-N540 PolarHBondContact O-ND2 2.84Å
541	S	28	Very low	29.1	Very low	89 Å²	89	121.1 Å²	121.1	62%	0.622	61%	0.614	S	S	*	*	S	Bend	trans	-72.6	-31.6	-176.1	39.6	0	0	0	0	114.6
542	D	25.2	Very low	28.6	Very low	134 Å²	134	122.7 Å²	122.7	72%	0.717	63%	0.625	S	S	*	*	S	Bend	trans	-119	25.4	-156.7	-63.4	-74	0	0	0	115.6
543	C	23.4	Very low	28.1	Very low	122 Å²	122	125.8 Å²	125.8	82%	0.824	64%	0.642	S	S	*	*			trans	-143.4	96.8	173.7	-93.2	0	0	0	0	113.6
544	F	27.1	Very low	27.8	Very low	190 Å²	190	131 Å²	131	83%	0.833	66%	0.658	S	S	*	*			trans	-124.2	98	173.1	-94.1	-78.6	0	0	0	113.4
545	V	24.6	Very low	27.7	Very low	134 Å²	134	133.9 Å²	133.9	81%	0.812	67%	0.672	S	S	*	*			trans	-94.8	110.2	164.2	175.4	0	0	0	0	108.9	I547	V545-I547 PolarHBondContact O-N 3.06Å
546	H	26.8	Very low	27.7	Very low	173 Å²	173	133 Å²	133	80%	0.801	68%	0.679	S	S	*	*			trans	-87.1	101.1	-178	-153.7	-44	0	0	0	111.7
547	I	26.4	Very low	27.6	Very low	145 Å²	145	133.6 Å²	133.6	74%	0.744	69%	0.69	S	S	*	*			trans	-62.8	141.2	168.2	-60.2	177.1	0	0	0	108.9	V545	V545-I547 PolarHBondContact O-N 3.06Å
548	R	23.8	Very low	27.5	Very low	161 Å²	161	136.3 Å²	136.3	61%	0.608	70%	0.696	S	S	*	*			trans	-93.1	129	177.2	-59.8	-174.8	-169.5	179.4	4.2	110.5
549	Y	24.8	Very low	27.4	Very low	100 Å²	100	137.1 Å²	137.1	39%	0.392	70%	0.697	S	S	.	*			trans	-106.3	124.2	159.5	-138.3	-112.6	0	0	0	108.9	Q394 E397	Q394-Y549 HydrophobicContact CG-CE1 4.39Å; E397-Y549 PolarHBondContact OE2-OH 2.81Å
550	H	25.8	Very low	27.3	Very low	114 Å²	114	134.4 Å²	134.4	53%	0.528	69%	0.689	S	S	.	*			trans	-93.7	116.4	178.2	-104.4	-93.5	0	0	0	110.4	R393 D552	R393-H550 PolarHBondContact NH1-O 3.3Å; R393-H550 PolarHBondContact NH2-O 3.08Å; R393-H550 VanDerWaalsContact NH2-O 3.13Å; H550-D552 IonicContact ND1-OD2 3.75Å
551	Q	29.1	Very low	27.4	Very low	103 Å²	103	136.4 Å²	136.4	48%	0.481	70%	0.703	S	S	.	*			trans	-134.1	96	170.6	-88.3	-76.8	-0.2	0	0	107.4	D390 R393	D390-Q551 VanDerWaalsContact CG-NE2 3.33Å; D390-Q551 PolarHBondContact OD1-NE2 2.88Å; D390-Q551 PolarHBondContact OD2-NE2 2.86Å; R393-Q551 VanDerWaalsContact NH1-NE2 3.18Å
552	D	25	Very low	27.5	Very low	118 Å²	118	136.4 Å²	136.4	63%	0.631	70%	0.696	S	S	*	*			trans	-87.1	125.4	174.5	-61.8	-81.3	0	0	0	109.8	H550	H550-D552 IonicContact ND1-OD2 3.75Å
553	N	29.3	Very low	27.7	Very low	155 Å²	155	135.5 Å²	135.5	83%	0.829	69%	0.69	S	S	*	*			trans	-178.1	113.2	133.8	-96.1	-54.9	0	0	0	115.7
554	K	26.5	Very low	28.1	Very low	188 Å²	188	135.9 Å²	135.9	82%	0.817	68%	0.684	S	S	*	*			trans	-27.4	142.9	154.4	-56.3	161.2	173	174.9	0	116.7
555	I	27.8	Very low	28.1	Very low	166 Å²	166	132.3 Å²	132.3	85%	0.851	67%	0.674	S	S	*	*				-179.2	146.8	105.8	-94.7	157.6	0	0	0	112.6
556	P	33.5	Very low	28.3	Very low	119 Å²	119	131 Å²	131	77%	0.773	67%	0.668	S	S	*	*			trans	-127.3	166.2	-166.6	42.8	-28.9	0	0	0	117.6
557	S	29.6	Very low	28.2	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	67%	0.667	S	S	*	*			trans	-172.9	147.6	160.9	57.1	0	0	0	0	112
558	K	29.1	Very low	28.4	Very low	184 Å²	184	128.6 Å²	128.6	80%	0.8	67%	0.67	S	S	*	*			cis	-171.5	142.4	-3.3	-111.9	169.2	-175.5	167.9	0	111.3
559	K	29.7	Very low	28.5	Very low	182 Å²	182	125.2 Å²	125.2	79%	0.791	67%	0.667	S	S	*	*			trans	70.4	153.3	153.2	-66.2	-178.3	174.2	-167.3	0	119.7
560	S	29.1	Very low	28.6	Very low	75 Å²	75	124.9 Å²	124.9	52%	0.524	68%	0.679	S	S	.	*			cis	-179.2	163.2	-23.2	54.2	0	0	0	0	113
561	T	31.2	Very low	28.7	Very low	106 Å²	106	127.9 Å²	127.9	65%	0.65	69%	0.686	S	S	*	*			trans	81.7	139.3	175.6	70.1	0	0	0	0	117.1	S598	T561-S598 WeakPolarHBondContact CA-OG 3.49Å; T561-S598 PolarHBondContact N-OG 3.12Å
562	N	29.4	Very low	28.6	Very low	89 Å²	89	135.1 Å²	135.1	48%	0.476	71%	0.709	S	S	.	*			cis	-156.3	160	-12.5	-113.7	6.1	0	0	0	115.2	S597	N562-S597 PolarHBondContact OD1-N 3.08Å; N562-S597 VanDerWaalsContact OD1-N 3.16Å; N562-S597 PolarHBondContact OD1-OG 2.86Å
563	I	30.3	Very low	28.6	Very low	115 Å²	115	134.1 Å²	134.1	59%	0.59	71%	0.711	S	S	*	*			trans	69.3	122	154.9	-64.6	178.6	0	0	0	123.6	S597	I563-S597 WeakPolarHBondContact CA-OG 3.48Å; I563-S597 VanDerWaalsContact CG1-OG 3.25Å; I563-S597 WeakPolarHBondContact CG1-OG 3.33Å; I563-S597 VanDerWaalsContact N-CB 3.34Å; I563-S597 PolarHBondContact N-OG 3.05Å
564	N	30.3	Very low	28.5	Very low	131 Å²	131	138.5 Å²	138.5	70%	0.701	72%	0.716	S	S	*	*			trans	31.8	164.2	144.7	-54.9	12.5	0	0	0	124.6
565	D	28	Very low	28.4	Very low	114 Å²	114	134 Å²	134	61%	0.61	71%	0.709	S	S	*	*			cis	-170.8	176.3	-46.5	-128.2	35	0	0	0	109.2	K600	D565-K600 IonicContact OD1-NZ 2.88Å; D565-K600 PolarHBondContact OD1-NZ 2.88Å
566	P	29.3	Very low	28.4	Very low	106 Å²	106	131.2 Å²	131.2	69%	0.688	70%	0.695	S	S	*	*				-124.8	149.6	-106.1	39.7	-24.6	0	0	0	118.3
567	S	24.5	Very low	27.9	Very low	113 Å²	113	129.7 Å²	129.7	79%	0.79	69%	0.687	S	S	*	*			trans	-158.4	-174.5	155	68.7	0	0	0	0	110.5
568	I	30	Very low	27.8	Very low	155 Å²	155	131.4 Å²	131.4	80%	0.795	69%	0.687	S	S	*	*			trans	84	93.7	-176.3	-52.9	171	0	0	0	115.2
569	T	26.6	Very low	27.6	Very low	90 Å²	90	126.5 Å²	126.5	55%	0.552	68%	0.681	S	S	*	*			trans	-81.6	123.2	159.4	49.4	0	0	0	0	110.4	T1414	T569-T1414 HydrophobicContact CG2-CG2 4.22Å
570	S	26.5	Very low	27.3	Very low	93 Å²	93	122.8 Å²	122.8	65%	0.65	68%	0.678	S	S	*	*			trans	-154.3	118.4	168	-163	0	0	0	0	115.9
571	W	27.1	Very low	27.2	Very low	178 Å²	178	131.3 Å²	131.3	67%	0.674	70%	0.699	S	S	*	*			trans	37.6	112.4	144.9	-62.5	61.8	0	0	0	120.5	L705	W571-L705 HydrophobicContact CH2-CB 3.78Å; W571-L705 HydrophobicContact CH2-CD1 3.84Å; W571-L705 HydrophobicContact CH2-CD2 3.83Å; W571-L705 HydrophobicContact CH2-CG 4.02Å; W571-L705 HydrophobicContact CZ2-CD1 4.26Å; W571-L705 HydrophobicContact CZ2-CD2 3.77Å; W571-L705 HydrophobicContact CZ2-CG 4.42Å; W571-L705 HydrophobicContact CZ3-CB 4.36Å; W571-L705 HydrophobicContact CZ3-CD1 4.02Å
572	R	27.5	Very low	26.9	Very low	254 Å²	254	131 Å²	131	96%	0.958	70%	0.701	S	S	*	*				-158.3	130.9	124.8	-121.9	172.6	-176.8	169.9	3.4	114.5
573	S	25.6	Very low	26.7	Very low	97 Å²	97	132.5 Å²	132.5	68%	0.678	71%	0.713	S	S	*	*			trans	-81.7	137.6	177.4	44.5	0	0	0	0	112.5
574	R	27.3	Very low	26.5	Very low	247 Å²	247	132.8 Å²	132.8	93%	0.932	72%	0.721	S	S	*	*			trans	-148.4	95.1	160	-81.4	-161.5	167.4	171.9	-3.6	111.4
575	S	24.4	Very low	26.3	Very low	94 Å²	94	137.1 Å²	137.1	66%	0.657	73%	0.727	S	S	*	*			trans	-73.3	124.8	160.9	42.4	0	0	0	0	109.9
576	L	27.4	Very low	26.2	Very low	108 Å²	108	137.1 Å²	137.1	57%	0.565	73%	0.732	S	S	*	*			trans	-171.6	109	156.3	-113.9	171	0	0	0	109.9
577	S	23.9	Very low	26.1	Very low	86 Å²	86	139 Å²	139	60%	0.601	74%	0.736	S	S	*	*			trans	-86.4	148.6	-179.9	54.5	0	0	0	0	112.9	R283	R283-S577 PolarHBondContact NH1-O 3.14Å
578	L	26.6	Very low	26.2	Very low	143 Å²	143	139.3 Å²	139.3	75%	0.749	73%	0.733	S	S	*	*				-176.4	161	128.2	-101	155.6	0	0	0	110
579	A	24.3	Very low	26.1	Very low	81 Å²	81	138.7 Å²	138.7	67%	0.669	73%	0.731	S	S	*	*			trans	-107.9	160.9	-152.3	0	0	0	0	0	115.3
580	S	23.8	Very low	26.2	Very low	104 Å²	104	140 Å²	140	73%	0.727	74%	0.739	S	S	*	*			trans	57.6	120.1	155	66.7	0	0	0	0	118.8
581	W	28	Very low	26.3	Very low	254 Å²	254	142.9 Å²	142.9	96%	0.962	74%	0.744	S	S	*	*				-150.5	159.1	109.4	-106	18.7	0	0	0	109.5
582	S	23.6	Very low	26.2	Very low	100 Å²	100	140.2 Å²	140.2	70%	0.699	74%	0.743	S	S	*	*			trans	-101.1	-176.3	-154.3	51.3	0	0	0	0	114.5
583	T	25.3	Very low	26.1	Very low	119 Å²	119	133.3 Å²	133.3	73%	0.73	73%	0.734	S	S	*	*			trans	83.9	112.6	157	55.8	0	0	0	0	121
584	T	25.9	Very low	26.2	Very low	121 Å²	121	133.8 Å²	133.8	74%	0.742	74%	0.737	S	S	*	*			trans	88.9	129.9	131.2	56.8	0	0	0	0	123.2
585	R	26.7	Very low	26.1	Very low	222 Å²	222	127 Å²	127	84%	0.838	73%	0.727	S	S	*	*			trans	74.8	106.5	151.4	-68.8	168.9	177.7	-177.2	-1.7	117
586	T	25.5	Very low	26.2	Very low	115 Å²	115	126.7 Å²	126.7	71%	0.706	73%	0.725	S	S	*	*				82.5	144	55.9	67.4	0	0	0	0	114.8
587	N	28.6	Very low	26.1	Very low	144 Å²	144	123.6 Å²	123.6	77%	0.77	71%	0.713	S	S	*	*			trans	85.1	111.5	179.2	-51.9	-0.9	0	0	0	113.3
588	V	26	Very low	26.3	Very low	121 Å²	121	121 Å²	121	73%	0.733	69%	0.694	S	S	*	*			cis	81.4	140.1	32.3	-169.7	0	0	0	0	112.9
589	N	28.1	Very low	26.3	Very low	141 Å²	141	120.5 Å²	120.5	75%	0.754	69%	0.691	S	S	*	*			trans	74.8	150.6	-176.3	-56.7	-35.3	0	0	0	114.6
590	T	28.4	Very low	26.6	Very low	118 Å²	118	123.1 Å²	123.1	72%	0.724	69%	0.687	S	S	*	*			cis	-172.5	153.9	-6.1	21.9	0	0	0	0	107.3
591	M	27.4	Very low	27	Very low	153 Å²	153	124.6 Å²	124.6	75%	0.754	69%	0.687	S	S	*	*			cis	-166.4	169.7	-15.9	-132.8	-175.8	174.6	0	0	110.3
592	N	26.9	Very low	27.2	Very low	123 Å²	123	119.8 Å²	119.8	66%	0.658	68%	0.675	S	S	*	*			trans	42.2	112.2	149.8	-62.3	-2.1	0	0	0	123
593	S	24.9	Very low	27.6	Very low	109 Å²	109	123.9 Å²	123.9	76%	0.762	68%	0.681	S	S	*	*				79.9	153.7	122	77.5	0	0	0	0	123.2
594	S	26.3	Very low	28	Very low	106 Å²	106	124 Å²	124	74%	0.741	68%	0.677	S	S	*	*			trans	86.9	131.6	161.5	76.2	0	0	0	0	120.5
595	S	26.8	Very low	28.4	Very low	104 Å²	104	120.8 Å²	120.8	73%	0.727	66%	0.659	S	S	*	*			trans	49.7	105.4	163.7	55.7	0	0	0	0	120.1
596	S	25.1	Very low	28.9	Very low	89 Å²	89	113.3 Å²	113.3	62%	0.622	64%	0.64	S	S	*	*			trans	21.7	123.9	135	58.9	0	0	0	0	119.4
597	S	25.8	Very low	29.3	Very low	42 Å²	42	110.2 Å²	110.2	29%	0.294	63%	0.627	S	S	.	*			cis	-178.4	-142.5	-6.3	33.9	0	0	0	0	107.2	N562 I563	N562-S597 PolarHBondContact OD1-N 3.08Å; N562-S597 VanDerWaalsContact OD1-N 3.16Å; N562-S597 PolarHBondContact OD1-OG 2.86Å; I563-S597 WeakPolarHBondContact CA-OG 3.48Å; I563-S597 VanDerWaalsContact CG1-OG 3.25Å; I563-S597 WeakPolarHBondContact CG1-OG 3.33Å; I563-S597 VanDerWaalsContact N-CB 3.34Å; I563-S597 PolarHBondContact N-OG 3.05Å
598	S	27.6	Very low	29.7	Very low	31 Å²	31	110.5 Å²	110.5	22%	0.217	62%	0.621	C	S	.	*			trans	81.5	-170.1	174.9	82.7	0	0	0	0	118.5	T561	T561-S598 WeakPolarHBondContact CA-OG 3.49Å; T561-S598 PolarHBondContact N-OG 3.12Å
599	I	28.4	Very low	30.6	Very low	134 Å²	134	109.4 Å²	109.4	69%	0.687	61%	0.611	S	S	*	*			trans	68.5	36.3	-179.4	-50.4	148.1	0	0	0	111.6
600	K	30	Very low	31.2	Very low	135 Å²	135	107.5 Å²	107.5	59%	0.587	60%	0.598	S	S	*	*	S	Bend	trans	-111.3	-12.2	173.4	-74.8	-167	174.1	-173.5	0	116	D565	D565-K600 IonicContact OD1-NZ 2.88Å; D565-K600 PolarHBondContact OD1-NZ 2.88Å
601	N	31.2	Very low	31.7	Very low	135 Å²	135	104.8 Å²	104.8	72%	0.722	58%	0.584	S	S	*	*	S	Bend	trans	-99.8	-25	-174.1	-70.5	9.5	0	0	0	115.3	F603 L604 S605	N601-F603 PolarHBondContact O-N 2.74Å; N601-L604 PolarHBondContact O-N 3.32Å; N601-S605 PolarHBondContact O-N 2.76Å; N601-S605 PolarHBondContact O-OG 2.9Å
602	E	33.5	Very low	32.5	Very low	153 Å²	153	101.5 Å²	101.5	72%	0.715	57%	0.569	S	S	*	*	H	α-helix	trans	-72.2	-28.5	-167.2	-148.3	169.5	-161.3	0	0	113.7	S605 S606	E602-S605 WeakPolarHBondContact CA-OG 3.35Å; E602-S605 PolarHBondContact O-OG 3.47Å; E602-S606 WeakPolarHBondContact O-CB 3.47Å; E602-S606 PolarHBondContact O-N 2.78Å; E602-S606 VanDerWaalsContact O-N 3.13Å; E602-S606 PolarHBondContact O-OG 2.69Å
603	F	30.5	Very low	33.6	Very low	187 Å²	187	97.9 Å²	97.9	82%	0.82	56%	0.556	S	S	*	*	H	α-helix	trans	-82.4	-12.8	-178.2	-139	-89.4	0	0	0	113.8	N601	N601-F603 PolarHBondContact O-N 2.74Å
604	L	34	Very low	34.4	Very low	122 Å²	122	100 Å²	100	64%	0.639	55%	0.547	S	S	*	.	H	α-helix	trans	-102.5	-35.6	172.4	-71.3	174.1	0	0	0	111.1	N601 A607 F608	N601-L604 PolarHBondContact O-N 3.32Å; L604-A607 PolarHBondContact O-N 2.98Å; L604-F608 PolarHBondContact O-N 2.92Å
605	S	35.1	Very low	35.1	Very low	52 Å²	52	97 Å²	97	36%	0.364	53%	0.529	S	S	.	.	H	α-helix	trans	-61.4	-43.5	171.4	65.7	0	0	0	0	111.2	N601 E602 A607 F608 D609	N601-S605 PolarHBondContact O-N 2.76Å; N601-S605 PolarHBondContact O-OG 2.9Å; E602-S605 WeakPolarHBondContact CA-OG 3.35Å; E602-S605 PolarHBondContact O-OG 3.47Å; S605-A607 VanDerWaalsContact C-N 3.27Å; S605-A607 PolarHBondContact O-N 2.89Å; S605-F608 PolarHBondContact O-N 2.88Å; S605-F608 VanDerWaalsContact O-N 3.17Å; S605-D609 VanDerWaalsContact O-CB 3.3Å; S605-D609 WeakPolarHBondContact O-CB 3.44Å; S605-D609 PolarHBondContact O-N 3.06Å
606	S	37.1	Very low	36	Very low	65 Å²	65	98 Å²	98	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-59.7	-37	177.6	69.9	0	0	0	0	113.1	E602 E610	E602-S606 WeakPolarHBondContact O-CB 3.47Å; E602-S606 PolarHBondContact O-N 2.78Å; E602-S606 VanDerWaalsContact O-N 3.13Å; E602-S606 PolarHBondContact O-OG 2.69Å; S606-E610 WeakPolarHBondContact O-CB 3.26Å; S606-E610 PolarHBondContact O-N 2.88Å
607	A	32.7	Very low	37	Very low	50 Å²	50	98.7 Å²	98.7	41%	0.413	52%	0.517	S	S	.	.	H	α-helix	trans	-74	-37.3	177.6	0	0	0	0	0	112.4	L604 S605 S611	L604-A607 PolarHBondContact O-N 2.98Å; S605-A607 VanDerWaalsContact C-N 3.27Å; S605-A607 PolarHBondContact O-N 2.89Å; A607-S611 WeakPolarHBondContact O-CB 3.43Å; A607-S611 PolarHBondContact O-N 3.18Å; A607-S611 PolarHBondContact O-OG 3.01Å
608	F	38.2	Very low	37.6	Very low	150 Å²	150	102.5 Å²	102.5	66%	0.658	53%	0.533	S	S	*	.	H	α-helix	trans	-70.9	-41.7	174.1	-101	-86.4	0	0	0	112.5	L604 S605 S611 L612	L604-F608 PolarHBondContact O-N 2.92Å; S605-F608 PolarHBondContact O-N 2.88Å; S605-F608 VanDerWaalsContact O-N 3.17Å; F608-S611 WeakPolarHBondContact CA-OG 3.2Å; F608-S611 CarbonylContact O-C 3.56Å; F608-S611 PolarHBondContact O-N 3.07Å; F608-S611 PolarHBondContact O-OG 3.14Å; F608-L612 WeakPolarHBondContact O-CB 3.32Å; F608-L612 PolarHBondContact O-N 2.78Å
609	D	45.1	Very low	38.2	Very low	98 Å²	98	105.7 Å²	105.7	52%	0.524	55%	0.551	S	S	.	*	H	α-helix	trans	-67.4	-36.5	175.1	-74.9	-43	0	0	0	111.1	S605 L612 A613	S605-D609 VanDerWaalsContact O-CB 3.3Å; S605-D609 WeakPolarHBondContact O-CB 3.44Å; S605-D609 PolarHBondContact O-N 3.06Å; D609-L612 PolarHBondContact O-N 2.86Å; D609-A613 WeakPolarHBondContact O-CB 3.48Å; D609-A613 PolarHBondContact O-N 3.12Å
610	E	40.8	Very low	38.8	Very low	102 Å²	102	103.3 Å²	103.3	48%	0.477	54%	0.54	S	S	.	.	H	α-helix	trans	-68.1	-40	171.1	-163.3	-169.8	162.1	0	0	111.4	S606 L612 A613 R614	S606-E610 WeakPolarHBondContact O-CB 3.26Å; S606-E610 PolarHBondContact O-N 2.88Å; E610-L612 VanDerWaalsContact C-N 3.35Å; E610-A613 PolarHBondContact O-N 2.81Å; E610-R614 WeakPolarHBondContact O-CB 3.34Å; E610-R614 WeakPolarHBondContact O-CD 3.37Å; E610-R614 WeakPolarHBondContact O-CG 3.47Å; E610-R614 PolarHBondContact O-N 3.27Å; E610-R614 IonicContact OE1-CZ 2.98Å; E610-R614 IonicContact OE1-NE 3.75Å; E610-R614 PolarHBondContact OE1-NE 3.11Å; E610-R614 IonicContact OE1-NH2 3.67Å; E610-R614 PolarHBondContact OE1-NH2 3.29Å
611	S	38.4	Very low	39.2	Very low	61 Å²	61	106.3 Å²	106.3	43%	0.427	55%	0.547	S	S	.	.	H	α-helix	trans	-68.1	-34.3	174.2	71.4	0	0	0	0	112.5	A607 F608 R614 A615	A607-S611 WeakPolarHBondContact O-CB 3.43Å; A607-S611 PolarHBondContact O-N 3.18Å; A607-S611 PolarHBondContact O-OG 3.01Å; F608-S611 WeakPolarHBondContact CA-OG 3.2Å; F608-S611 CarbonylContact O-C 3.56Å; F608-S611 PolarHBondContact O-N 3.07Å; F608-S611 PolarHBondContact O-OG 3.14Å; S611-R614 PolarHBondContact O-N 3.16Å; S611-A615 VanDerWaalsContact O-CB 3.27Å; S611-A615 WeakPolarHBondContact O-CB 3.45Å; S611-A615 PolarHBondContact O-N 2.89Å
612	L	44.6	Very low	39.3	Very low	83 Å²	83	103.4 Å²	103.4	44%	0.435	54%	0.542	S	S	.	.	H	α-helix	trans	-71.6	-35.5	174.7	-168.6	79.9	0	0	0	111.2	F608 D609 E610 K616	F608-L612 WeakPolarHBondContact O-CB 3.32Å; F608-L612 PolarHBondContact O-N 2.78Å; D609-L612 PolarHBondContact O-N 2.86Å; E610-L612 VanDerWaalsContact C-N 3.35Å; L612-K616 HydrophobicContact CG-CD 4.39Å; L612-K616 VanDerWaalsContact O-CB 3.29Å; L612-K616 WeakPolarHBondContact O-CB 3.44Å; L612-K616 VanDerWaalsContact O-CG 3.23Å; L612-K616 WeakPolarHBondContact O-CG 3.24Å; L612-K616 PolarHBondContact O-N 2.57Å
613	A	50.4	Low	39.2	Very low	48 Å²	48	104.6 Å²	104.6	40%	0.397	54%	0.54	S	S	.	.	H	α-helix	trans	-70.2	-40.5	172.5	0	0	0	0	0	111.3	D609 E610 K616 L617	D609-A613 WeakPolarHBondContact O-CB 3.48Å; D609-A613 PolarHBondContact O-N 3.12Å; E610-A613 PolarHBondContact O-N 2.81Å; A613-K616 CarbonylContact O-C 3.48Å; A613-K616 PolarHBondContact O-N 2.69Å; A613-L617 WeakPolarHBondContact O-CB 3.5Å; A613-L617 PolarHBondContact O-N 2.9Å
614	R	40.6	Very low	39.4	Very low	153 Å²	153	102.3 Å²	102.3	58%	0.577	54%	0.536	S	S	*	.	H	α-helix	trans	-63.7	-40.6	171	-72.6	165.7	-179.6	-124.2	7.4	111.4	E610 S611 L617 L618	E610-R614 WeakPolarHBondContact O-CB 3.34Å; E610-R614 WeakPolarHBondContact O-CD 3.37Å; E610-R614 WeakPolarHBondContact O-CG 3.47Å; E610-R614 PolarHBondContact O-N 3.27Å; E610-R614 IonicContact OE1-CZ 2.98Å; E610-R614 IonicContact OE1-NE 3.75Å; E610-R614 PolarHBondContact OE1-NE 3.11Å; E610-R614 IonicContact OE1-NH2 3.67Å; E610-R614 PolarHBondContact OE1-NH2 3.29Å; S611-R614 PolarHBondContact O-N 3.16Å; R614-L617 PolarHBondContact O-N 3.33Å; R614-L618 WeakPolarHBondContact O-CB 3.26Å; R614-L618 PolarHBondContact O-N 3.19Å
615	A	40.8	Very low	39.3	Very low	44 Å²	44	105.7 Å²	105.7	36%	0.364	55%	0.545	S	S	.	.	H	α-helix	trans	-66	-42.8	173.3	0	0	0	0	0	111.9	S611 L617 L618 V619	S611-A615 VanDerWaalsContact O-CB 3.27Å; S611-A615 WeakPolarHBondContact O-CB 3.45Å; S611-A615 PolarHBondContact O-N 2.89Å; A615-L617 VanDerWaalsContact C-N 3.31Å; A615-L617 PolarHBondContact O-N 2.66Å; A615-L618 PolarHBondContact O-N 3.4Å; A615-V619 WeakPolarHBondContact O-CB 3.47Å; A615-V619 WeakPolarHBondContact O-CG2 3.3Å; A615-V619 PolarHBondContact O-N 3.06Å
616	K	45.9	Very low	39.3	Very low	125 Å²	125	106.3 Å²	106.3	54%	0.543	55%	0.546	S	S	.	.	H	α-helix	trans	-66.3	-30.5	173.3	-75.7	169.4	179.5	173.4	0	112.4	L612 A613 N620	L612-K616 HydrophobicContact CG-CD 4.39Å; L612-K616 VanDerWaalsContact O-CB 3.29Å; L612-K616 WeakPolarHBondContact O-CB 3.44Å; L612-K616 VanDerWaalsContact O-CG 3.23Å; L612-K616 WeakPolarHBondContact O-CG 3.24Å; L612-K616 PolarHBondContact O-N 2.57Å; A613-K616 CarbonylContact O-C 3.48Å; A613-K616 PolarHBondContact O-N 2.69Å; K616-N620 WeakPolarHBondContact O-CB 3.48Å; K616-N620 PolarHBondContact O-N 3.05Å; K616-N620 PolarHBondContact O-ND2 2.81Å
617	L	47.1	Very low	39	Very low	103 Å²	103	107 Å²	107	54%	0.539	55%	0.55	S	S	.	.	H	α-helix	trans	-70	-47.1	170.6	-90.9	162	0	0	0	111.1	A613 R614 A615 V619 N620 W621	A613-L617 WeakPolarHBondContact O-CB 3.5Å; A613-L617 PolarHBondContact O-N 2.9Å; R614-L617 PolarHBondContact O-N 3.33Å; A615-L617 VanDerWaalsContact C-N 3.31Å; A615-L617 PolarHBondContact O-N 2.66Å; L617-V619 VanDerWaalsContact C-N 3.34Å; L617-V619 PolarHBondContact O-N 3.4Å; L617-N620 CarbonylContact O-C 3.55Å; L617-N620 PolarHBondContact O-N 3.01Å; L617-N620 VanDerWaalsContact O-N 3.12Å; L617-W621 WeakPolarHBondContact O-CB 3.39Å; L617-W621 PolarHBondContact O-N 2.82Å
618	L	38.1	Very low	39.2	Very low	122 Å²	122	108.2 Å²	108.2	64%	0.639	56%	0.56	S	S	*	*	H	α-helix	trans	-57.6	-43.6	173.6	-89.4	160.5	0	0	0	112	R614 A615 W621 A622	R614-L618 WeakPolarHBondContact O-CB 3.26Å; R614-L618 PolarHBondContact O-N 3.19Å; A615-L618 PolarHBondContact O-N 3.4Å; L618-W621 PolarHBondContact O-N 3.29Å; L618-A622 VanDerWaalsContact O-CB 3.24Å; L618-A622 WeakPolarHBondContact O-CB 3.41Å; L618-A622 PolarHBondContact O-N 3.22Å
619	V	40.6	Very low	39.2	Very low	97 Å²	97	108 Å²	108	59%	0.588	57%	0.565	S	S	*	*	H	α-helix	trans	-69.1	-31.8	175.7	171.4	0	0	0	0	112.2	A615 L617 R623	A615-V619 WeakPolarHBondContact O-CB 3.47Å; A615-V619 WeakPolarHBondContact O-CG2 3.3Å; A615-V619 PolarHBondContact O-N 3.06Å; L617-V619 VanDerWaalsContact C-N 3.34Å; L617-V619 PolarHBondContact O-N 3.4Å; V619-R623 PolarHBondContact O-N 2.95Å; V619-R623 VanDerWaalsContact O-N 3.15Å
620	N	40.4	Very low	38.8	Very low	84 Å²	84	107.5 Å²	107.5	45%	0.449	56%	0.563	S	S	.	*	H	α-helix	trans	-81	-14.1	172.2	-78.2	-65.7	0	0	0	114.2	K616 L617 R623	K616-N620 WeakPolarHBondContact O-CB 3.48Å; K616-N620 PolarHBondContact O-N 3.05Å; K616-N620 PolarHBondContact O-ND2 2.81Å; L617-N620 CarbonylContact O-C 3.55Å; L617-N620 PolarHBondContact O-N 3.01Å; L617-N620 VanDerWaalsContact O-N 3.12Å; N620-R623 PolarHBondContact OD1-NH1 3.09Å
621	W	37.6	Very low	38.6	Very low	198 Å²	198	108.6 Å²	108.6	75%	0.75	57%	0.568	S	S	*	*	H	α-helix	trans	-85.5	-39.8	166.8	-87.5	33.7	0	0	0	111.2	L617 L618 R623	L617-W621 WeakPolarHBondContact O-CB 3.39Å; L617-W621 PolarHBondContact O-N 2.82Å; L618-W621 PolarHBondContact O-N 3.29Å; W621-R623 CarbonylContact O-C 3.53Å; W621-R623 PolarHBondContact O-N 2.53Å
622	A	33.2	Very low	38.4	Very low	74 Å²	74	109.8 Å²	109.8	61%	0.612	58%	0.576	S	S	*	*	S	Bend	trans	-69	-9.1	172.9	0	0	0	0	0	113.3	L618 L624	L618-A622 VanDerWaalsContact O-CB 3.24Å; L618-A622 WeakPolarHBondContact O-CB 3.41Å; L618-A622 PolarHBondContact O-N 3.22Å; A622-L624 PolarHBondContact O-N 2.82Å
623	R	31.4	Very low	38.2	Very low	179 Å²	179	113.3 Å²	113.3	68%	0.675	59%	0.59	S	S	*	*	S	Bend	trans	-66.4	78	154.5	-81.4	176	155.3	167.2	-10.3	109.1	V619 N620 W621 K625	V619-R623 PolarHBondContact O-N 2.95Å; V619-R623 VanDerWaalsContact O-N 3.15Å; N620-R623 PolarHBondContact OD1-NH1 3.09Å; W621-R623 CarbonylContact O-C 3.53Å; W621-R623 PolarHBondContact O-N 2.53Å; R623-K625 PolarHBondContact O-N 3.43Å
624	L	34.9	Very low	37.5	Very low	139 Å²	139	116.1 Å²	116.1	73%	0.728	59%	0.591	S	S	*	*			trans	-50.7	104.2	178.4	-75.5	167.7	0	0	0	110.4	A622 V626	A622-L624 PolarHBondContact O-N 2.82Å; L624-V626 PolarHBondContact O-N 3.14Å
625	K	33	Very low	37.1	Very low	193 Å²	193	115.6 Å²	115.6	84%	0.839	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-64.6	119.7	163	-73.4	176.6	172.2	175.4	0	106.9	R623 P627	R623-K625 PolarHBondContact O-N 3.43Å; K625-P627 WeakPolarHBondContact O-CD 3.4Å; K625-P627 VanDerWaalsContact O-N 3.15Å
626	V	34.4	Very low	36.9	Very low	64 Å²	64	119.1 Å²	119.1	39%	0.388	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-48.2	122.9	164.5	177.3	0	0	0	0	107.5	L624 A628 N630 Q631	L624-V626 PolarHBondContact O-N 3.14Å; V626-A628 PolarHBondContact O-N 2.96Å; V626-N630 HydrophobicContact CG1-CB 3.71Å; V626-Q631 HydrophobicContact CB-CG 4.17Å; V626-Q631 HydrophobicContact CG1-CG 4Å
627	P	31.9	Very low	36.3	Very low	80 Å²	80	122.5 Å²	122.5	52%	0.519	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-52.3	141.7	179.2	-28.7	35.7	0	0	0	110.5	K625 N629 N630	K625-P627 WeakPolarHBondContact O-CD 3.4Å; K625-P627 VanDerWaalsContact O-N 3.15Å; P627-N629 PolarHBondContact O-N 3.34Å; P627-N630 PolarHBondContact O-N 2.8Å
628	A	35	Very low	35.8	Very low	76 Å²	76	127 Å²	127	63%	0.628	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-53.9	-30.2	-171.2	0	0	0	0	0	113.4	V626 N630	V626-A628 PolarHBondContact O-N 2.96Å; A628-N630 VanDerWaalsContact C-N 3.27Å; A628-N630 PolarHBondContact O-N 3.01Å
629	N	39.4	Very low	35.6	Very low	145 Å²	145	125.6 Å²	125.6	78%	0.775	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-67.1	-22.1	177.4	-58.5	-4.4	0	0	0	113.8	P627	P627-N629 PolarHBondContact O-N 3.34Å
630	N	35.8	Very low	35.2	Very low	88 Å²	88	125.1 Å²	125.1	47%	0.471	65%	0.647	S	S	.	*	G	3₁₀ helix	trans	-106.6	-6	-173.7	-65.1	11.3	0	0	0	113	V626 P627 A628 S632 H633	V626-N630 HydrophobicContact CG1-CB 3.71Å; P627-N630 PolarHBondContact O-N 2.8Å; A628-N630 VanDerWaalsContact C-N 3.27Å; A628-N630 PolarHBondContact O-N 3.01Å; N630-S632 PolarHBondContact O-N 2.72Å; N630-H633 PolarHBondContact O-N 2.85Å
631	Q	37.2	Very low	34.8	Very low	124 Å²	124	129.7 Å²	129.7	58%	0.579	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-65.4	-21.1	-176.1	-67.8	-171.3	-69.6	0	0	113.8	V626 H633	V626-Q631 HydrophobicContact CB-CG 4.17Å; V626-Q631 HydrophobicContact CG1-CG 4Å; Q631-H633 PolarHBondContact O-N 2.83Å
632	S	34.8	Very low	34.8	Very low	87 Å²	87	122.1 Å²	122.1	61%	0.608	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-69.4	-9.3	178.1	51.9	0	0	0	0	115.1	N630	N630-S632 PolarHBondContact O-N 2.72Å
633	H	40.7	Very low	34.9	Very low	157 Å²	157	122.4 Å²	122.4	73%	0.727	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-99.5	-5.9	-179	-78.1	-90.4	0	0	0	114.5	N630 Q631	N630-H633 PolarHBondContact O-N 2.85Å; Q631-H633 PolarHBondContact O-N 2.83Å
634	Y	34.5	Very low	35.2	Very low	107 Å²	107	119.6 Å²	119.6	42%	0.42	64%	0.636	S	S	.	*			trans	-131.6	71.1	-168.7	-69.5	-84.6	0	0	0	113.3	L636	Y634-L636 PolarHBondContact O-N 3.34Å
635	E	33.3	Very low	35.2	Very low	141 Å²	141	117.9 Å²	117.9	66%	0.659	63%	0.628	S	S	*	*			trans	-75.8	104.9	173	-70.3	-176.5	169.8	0	0	111.9	M509	M509-E635 VanDerWaalsContact CE-OE1 3.27Å; M509-E635 WeakPolarHBondContact CE-OE1 3.42Å
636	L	34.9	Very low	35.9	Very low	119 Å²	119	111.5 Å²	111.5	62%	0.623	60%	0.603	S	S	*	*			trans	-98.4	5.1	-173.3	-83.6	161.7	0	0	0	115.6	Y634 K638	Y634-L636 PolarHBondContact O-N 3.34Å; L636-K638 PolarHBondContact O-N 3.46Å
637	E	33.2	Very low	36.3	Very low	195 Å²	195	114.4 Å²	114.4	91%	0.911	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	26.7	-168.3	-56.7	-164	146.2	0	0	116.7
638	K	38.2	Very low	36.7	Very low	199 Å²	199	115.8 Å²	115.8	87%	0.865	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.6	19.1	-167.4	-82.4	177.2	-179.6	158.6	0	117.2	L636	L636-K638 PolarHBondContact O-N 3.46Å
639	S	33.2	Very low	36.8	Very low	92 Å²	92	118.3 Å²	118.3	64%	0.643	61%	0.613	S	S	*	*			trans	-129.4	153.8	172.2	59.1	0	0	0	0	112.9
640	A	32.2	Very low	36.5	Very low	87 Å²	87	116.4 Å²	116.4	72%	0.719	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-92.5	173.5	-163.5	0	0	0	0	0	114.4	I642	A640-I642 PolarHBondContact O-N 2.92Å
641	L	31.8	Very low	36.7	Very low	180 Å²	180	116.4 Å²	116.4	94%	0.942	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-54.2	117.7	-176.9	-77.9	125.2	0	0	0	113.2
642	I	37.8	Very low	36.4	Very low	39 Å²	39	116.9 Å²	116.9	20%	0.2	62%	0.615	C	S	.	*	P	Polyproline II helix	trans	-94.8	137.4	170	-70.1	-159.7	0	0	0	109.2	A640 D646 Q647 Q652 Y654	A640-I642 PolarHBondContact O-N 2.92Å; I642-D646 HydrophobicContact CG2-CB 3.39Å; I642-Q647 HydrophobicContact CG2-CG 4.34Å; I642-Q652 HydrophobicContact CD1-CB 4.36Å; I642-Y654 HydrophobicContact CD1-CE1 4.43Å; I642-Y654 HydrophobicContact CD1-CE2 3.9Å; I642-Y654 WeakPolarHBondContact CD1-OH 3.46Å; I642-Y654 WeakPolarHBondContact CG1-OH 3.45Å
643	T	36.6	Very low	36.5	Very low	80 Å²	80	117 Å²	117	49%	0.491	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-83.4	166.3	-171.8	77.9	0	0	0	0	112.7	N645 D646 Q647	T643-N645 PolarHBondContact O-N 2.85Å; T643-N645 PolarHBondContact OG1-N 2.83Å; T643-D646 WeakPolarHBondContact CA-OD2 3.44Å; T643-D646 VanDerWaalsContact CB-OD2 3.29Å; T643-D646 WeakPolarHBondContact CB-OD2 3.42Å; T643-D646 PolarHBondContact N-OD2 3.17Å; T643-D646 PolarHBondContact O-N 2.95Å; T643-D646 VanDerWaalsContact O-N 3.16Å; T643-D646 PolarHBondContact OG1-OD2 3.01Å; T643-Q647 WeakPolarHBondContact O-CG 3.46Å; T643-Q647 PolarHBondContact O-N 2.81Å; T643-Q647 VanDerWaalsContact O-N 3.09Å
644	L	36.4	Very low	36.4	Very low	119 Å²	119	116.6 Å²	116.6	62%	0.623	61%	0.609	S	S	*	*	H	α-helix	trans	-60.4	-32.4	177.1	-157.7	82.4	0	0	0	112.2	Q647 I648	L644-Q647 PolarHBondContact O-N 3.24Å; L644-I648 HydrophobicContact CD2-CD1 4.12Å; L644-I648 HydrophobicContact CG-CD1 4.07Å; L644-I648 WeakPolarHBondContact O-CB 3.47Å; L644-I648 WeakPolarHBondContact O-CD1 3.32Å; L644-I648 WeakPolarHBondContact O-CG1 3.07Å; L644-I648 PolarHBondContact O-N 2.95Å
645	N	35	Very low	36.7	Very low	104 Å²	104	116 Å²	116	56%	0.556	61%	0.613	S	S	*	*	H	α-helix	trans	-67.2	-41	176.3	-80.8	10	0	0	0	111.6	T643 Q647 I648 H649	T643-N645 PolarHBondContact O-N 2.85Å; T643-N645 PolarHBondContact OG1-N 2.83Å; N645-Q647 VanDerWaalsContact C-N 3.28Å; N645-Q647 PolarHBondContact O-N 2.81Å; N645-I648 PolarHBondContact O-N 2.88Å; N645-I648 VanDerWaalsContact O-N 3.16Å; N645-H649 WeakPolarHBondContact O-CB 3.43Å; N645-H649 PolarHBondContact O-CD2 2.88Å; N645-H649 PolarHBondContact O-N 2.81Å
646	D	47.5	Very low	36.9	Very low	58 Å²	58	111.9 Å²	111.9	31%	0.31	60%	0.595	S	S	.	*	H	α-helix	trans	-66	-34.7	177.1	-53.7	-57.2	0	0	0	111.3	I642 T643 C650	I642-D646 HydrophobicContact CG2-CB 3.39Å; T643-D646 WeakPolarHBondContact CA-OD2 3.44Å; T643-D646 VanDerWaalsContact CB-OD2 3.29Å; T643-D646 WeakPolarHBondContact CB-OD2 3.42Å; T643-D646 PolarHBondContact N-OD2 3.17Å; T643-D646 PolarHBondContact O-N 2.95Å; T643-D646 VanDerWaalsContact O-N 3.16Å; T643-D646 PolarHBondContact OG1-OD2 3.01Å; D646-C650 PolarHBondContact O-N 2.96Å
647	Q	43.1	Very low	37.2	Very low	125 Å²	125	108.6 Å²	108.6	58%	0.584	58%	0.581	S	S	*	*	H	α-helix	trans	-69.3	-31	172.2	-66.5	179.3	8	0	0	113.3	I642 T643 L644 N645	I642-Q647 HydrophobicContact CG2-CG 4.34Å; T643-Q647 WeakPolarHBondContact O-CG 3.46Å; T643-Q647 PolarHBondContact O-N 2.81Å; T643-Q647 VanDerWaalsContact O-N 3.09Å; L644-Q647 PolarHBondContact O-N 3.24Å; N645-Q647 VanDerWaalsContact C-N 3.28Å; N645-Q647 PolarHBondContact O-N 2.81Å
648	I	40.4	Very low	37.7	Very low	109 Å²	109	106.4 Å²	106.4	56%	0.559	57%	0.574	S	S	*	*	H	α-helix	trans	-79.8	-35.1	177.6	-73.6	164.3	0	0	0	111.7	L644 N645	L644-I648 HydrophobicContact CD2-CD1 4.12Å; L644-I648 HydrophobicContact CG-CD1 4.07Å; L644-I648 WeakPolarHBondContact O-CB 3.47Å; L644-I648 WeakPolarHBondContact O-CD1 3.32Å; L644-I648 WeakPolarHBondContact O-CG1 3.07Å; L644-I648 PolarHBondContact O-N 2.95Å; N645-I648 PolarHBondContact O-N 2.88Å; N645-I648 VanDerWaalsContact O-N 3.16Å
649	H	36.5	Very low	37.8	Very low	130 Å²	130	102.6 Å²	102.6	60%	0.602	56%	0.563	S	S	*	*	H	α-helix	trans	-98.1	-1.9	-176.4	-67.6	-61.3	0	0	0	114.6	N645 T651	N645-H649 WeakPolarHBondContact O-CB 3.43Å; N645-H649 PolarHBondContact O-CD2 2.88Å; N645-H649 PolarHBondContact O-N 2.81Å; H649-T651 HydrophobicContact CB-CG2 3.91Å; H649-T651 PolarHBondContact O-N 3.5Å; H649-T651 VanDerWaalsContact O-N 3.12Å
650	C	34.6	Very low	38.4	Very low	105 Å²	105	105 Å²	105	71%	0.709	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.3	32.3	179.2	-60.7	0	0	0	0	114.1	D646 Q652	D646-C650 PolarHBondContact O-N 2.96Å; C650-Q652 PolarHBondContact O-N 2.82Å
651	T	38.8	Very low	39.1	Very low	88 Å²	88	108.4 Å²	108.4	54%	0.54	56%	0.56	S	S	.	*			trans	-69.4	-15.5	-173.1	43.2	0	0	0	0	114.4	H649	H649-T651 HydrophobicContact CB-CG2 3.91Å; H649-T651 PolarHBondContact O-N 3.5Å; H649-T651 VanDerWaalsContact O-N 3.12Å
652	Q	32	Very low	39.7	Very low	133 Å²	133	107.1 Å²	107.1	62%	0.621	55%	0.549	S	S	*	.	S	Bend	trans	-138	108.1	172.2	-67.8	-173.3	-16.2	0	0	110.2	I642 C650 Y654	I642-Q652 HydrophobicContact CD1-CB 4.36Å; C650-Q652 PolarHBondContact O-N 2.82Å; Q652-Y654 PolarHBondContact O-N 2.82Å
653	S	36.5	Very low	40.2	Very low	91 Å²	91	107.8 Å²	107.8	64%	0.636	55%	0.552	S	S	*	*			trans	-80.3	106.9	171.9	50.9	0	0	0	0	110.6
654	Y	37.3	Very low	40.9	Very low	148 Å²	148	105.8 Å²	105.8	58%	0.58	54%	0.543	S	S	*	.	S	Bend	trans	-55.4	136.8	164.9	-66.8	-92.6	0	0	0	110	I642 Q652	I642-Y654 HydrophobicContact CD1-CE1 4.43Å; I642-Y654 HydrophobicContact CD1-CE2 3.9Å; I642-Y654 WeakPolarHBondContact CD1-OH 3.46Å; I642-Y654 WeakPolarHBondContact CG1-OH 3.45Å; Q652-Y654 PolarHBondContact O-N 2.82Å
655	L	40.9	Very low	41.9	Very low	93 Å²	93	104.5 Å²	104.5	49%	0.487	54%	0.536	S	S	.	.	S	Bend	trans	60.7	61.3	-176.3	-59.6	169.7	0	0	0	114.1	P657	L655-P657 VanDerWaalsContact O-CD 3.3Å; L655-P657 WeakPolarHBondContact O-CD 3.29Å
656	D	39.2	Very low	42.7	Very low	55 Å²	55	105.4 Å²	105.4	29%	0.294	53%	0.532	S	S	.	.			trans	-63.1	115.6	165.7	-179	4.2	0	0	0	110.7	I658 N659	D656-I658 PolarHBondContact O-N 2.86Å; D656-I658 VanDerWaalsContact O-N 3.1Å; D656-I658 WeakPolarHBondContact OD1-CB 3.32Å; D656-I658 VanDerWaalsContact OD1-CG1 3.32Å; D656-I658 WeakPolarHBondContact OD1-CG1 3.49Å; D656-I658 PolarHBondContact OD1-N 2.84Å; D656-I658 VanDerWaalsContact OD1-N 3.17Å; D656-N659 PolarHBondContact O-N 2.82Å; D656-N659 VanDerWaalsContact O-N 3.16Å; D656-N659 PolarHBondContact OD2-ND2 3.03Å
657	P	40.7	Very low	42.9	Very low	50 Å²	50	105.4 Å²	105.4	33%	0.325	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-58.6	-25.5	-177.9	-24.1	34.9	0	0	0	113.5	L655 N659 Y660 L667	L655-P657 VanDerWaalsContact O-CD 3.3Å; L655-P657 WeakPolarHBondContact O-CD 3.29Å; P657-N659 PolarHBondContact O-N 2.72Å; P657-Y660 PolarHBondContact O-N 2.66Å; P657-L667 HydrophobicContact CB-CD1 4.06Å; P657-L667 HydrophobicContact CG-CD1 3.8Å
658	I	42.1	Very low	43.6	Very low	149 Å²	149	103.7 Å²	103.7	76%	0.764	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-61.5	-27.7	-178.4	-59.6	171.3	0	0	0	111.5	D656	D656-I658 PolarHBondContact O-N 2.86Å; D656-I658 VanDerWaalsContact O-N 3.1Å; D656-I658 WeakPolarHBondContact OD1-CB 3.32Å; D656-I658 VanDerWaalsContact OD1-CG1 3.32Å; D656-I658 WeakPolarHBondContact OD1-CG1 3.49Å; D656-I658 PolarHBondContact OD1-N 2.84Å; D656-I658 VanDerWaalsContact OD1-N 3.17Å
659	N	41.6	Very low	44.6	Very low	119 Å²	119	101.9 Å²	101.9	64%	0.636	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-93.9	-14.3	-177.7	-69.6	-67.3	0	0	0	114.5	D656 P657	D656-N659 PolarHBondContact O-N 2.82Å; D656-N659 VanDerWaalsContact O-N 3.16Å; D656-N659 PolarHBondContact OD2-ND2 3.03Å; P657-N659 PolarHBondContact O-N 2.72Å
660	Y	44.5	Very low	45.5	Very low	143 Å²	143	98.3 Å²	98.3	56%	0.561	50%	0.503	S	S	*	.			trans	-125	89.2	-178.1	-80.8	-87.6	0	0	0	110.7	P657 E662 H663 A664	P657-Y660 PolarHBondContact O-N 2.66Å; Y660-E662 VanDerWaalsContact C-N 3.26Å; Y660-E662 PolarHBondContact O-N 3.34Å; Y660-H663 CarbonylContact O-C 2.92Å; Y660-H663 WeakPolarHBondContact O-CA 3.22Å; Y660-H663 WeakPolarHBondContact O-CB 3.43Å; Y660-H663 PolarHBondContact O-N 3.09Å; Y660-A664 PolarHBondContact O-N 3.4Å
661	Q	47.5	Very low	46.6	Very low	158 Å²	158	96.7 Å²	96.7	74%	0.738	49%	0.492	S	S	*	.	H	α-helix	trans	-55	-36.9	-174.8	-169.9	173.4	-0.4	0	0	113.5	A664 I665	Q661-A664 PolarHBondContact O-N 2.68Å; Q661-I665 HydrophobicContact CG-CD1 4.18Å; Q661-I665 WeakPolarHBondContact O-CD1 3.24Å; Q661-I665 VanDerWaalsContact O-CG1 3.26Å; Q661-I665 WeakPolarHBondContact O-CG1 3.41Å; Q661-I665 PolarHBondContact O-N 3.38Å
662	E	44.2	Very low	47.6	Very low	154 Å²	154	99.1 Å²	99.1	72%	0.72	49%	0.492	S	S	*	.	H	α-helix	trans	-66.3	-37	175	-62.6	178.4	163.9	0	0	112.4	Y660 I665 Y666	Y660-E662 VanDerWaalsContact C-N 3.26Å; Y660-E662 PolarHBondContact O-N 3.34Å; E662-I665 PolarHBondContact O-N 2.78Å; E662-Y666 WeakPolarHBondContact O-CB 3.39Å; E662-Y666 PolarHBondContact O-N 3.17Å
663	H	49.8	Very low	48.9	Very low	53 Å²	53	97.4 Å²	97.4	25%	0.245	49%	0.487	C	S	.	.	H	α-helix	trans	-75.8	-30.4	177.2	-156.9	-85	0	0	0	111.7	Y660 L667	Y660-H663 CarbonylContact O-C 2.92Å; Y660-H663 WeakPolarHBondContact O-CA 3.22Å; Y660-H663 WeakPolarHBondContact O-CB 3.43Å; Y660-H663 PolarHBondContact O-N 3.09Å; H663-L667 WeakPolarHBondContact O-CB 3.28Å; H663-L667 VanDerWaalsContact O-CG 3.3Å; H663-L667 WeakPolarHBondContact O-CG 3.36Å; H663-L667 PolarHBondContact O-N 3.48Å
664	A	50	Low	49.8	Very low	37 Å²	37	97.1 Å²	97.1	31%	0.306	48%	0.477	S	S	.	.	H	α-helix	trans	-67.2	-44.3	169	0	0	0	0	0	111.9	Y660 Q661 L667 D668	Y660-A664 PolarHBondContact O-N 3.4Å; Q661-A664 PolarHBondContact O-N 2.68Å; A664-L667 PolarHBondContact O-N 3.06Å; A664-D668 WeakPolarHBondContact O-CB 3.41Å; A664-D668 PolarHBondContact O-N 3.44Å
665	I	57.2	Low	50.8	Low	92 Å²	92	99.4 Å²	99.4	47%	0.472	49%	0.485	S	S	.	.	H	α-helix	trans	-61.7	-46.8	175	-70.1	162.3	0	0	0	110.4	Q661 E662 L667 D668 D669	Q661-I665 HydrophobicContact CG-CD1 4.18Å; Q661-I665 WeakPolarHBondContact O-CD1 3.24Å; Q661-I665 VanDerWaalsContact O-CG1 3.26Å; Q661-I665 WeakPolarHBondContact O-CG1 3.41Å; Q661-I665 PolarHBondContact O-N 3.38Å; E662-I665 PolarHBondContact O-N 2.78Å; I665-L667 VanDerWaalsContact C-N 3.31Å; I665-L667 PolarHBondContact O-N 3.16Å; I665-D668 PolarHBondContact O-N 2.84Å; I665-D669 PolarHBondContact O-N 2.91Å
666	Y	53.3	Low	51.7	Low	124 Å²	124	99.1 Å²	99.1	49%	0.486	48%	0.483	S	S	.	.	H	α-helix	trans	-58.1	-42.2	174.9	176.1	-108.9	0	0	0	112.3	E662 L670	E662-Y666 WeakPolarHBondContact O-CB 3.39Å; E662-Y666 PolarHBondContact O-N 3.17Å; Y666-L670 HydrophobicContact CE1-CD1 4.24Å; Y666-L670 HydrophobicContact CE2-CD1 4.43Å; Y666-L670 WeakPolarHBondContact O-CB 3.39Å; Y666-L670 PolarHBondContact O-N 2.82Å
667	L	51.3	Low	52.5	Low	58 Å²	58	102.2 Å²	102.2	30%	0.304	49%	0.494	S	S	.	.	H	α-helix	trans	-67.4	-38.9	175.5	-79.6	167.3	0	0	0	113	P657 H663 A664 I665 C671	P657-L667 HydrophobicContact CB-CD1 4.06Å; P657-L667 HydrophobicContact CG-CD1 3.8Å; H663-L667 WeakPolarHBondContact O-CB 3.28Å; H663-L667 VanDerWaalsContact O-CG 3.3Å; H663-L667 WeakPolarHBondContact O-CG 3.36Å; H663-L667 PolarHBondContact O-N 3.48Å; A664-L667 PolarHBondContact O-N 3.06Å; I665-L667 VanDerWaalsContact C-N 3.31Å; I665-L667 PolarHBondContact O-N 3.16Å; L667-C671 VanDerWaalsContact O-CB 3.24Å; L667-C671 WeakPolarHBondContact O-CB 3.36Å; L667-C671 PolarHBondContact O-N 2.84Å; L667-C671 PolarHBondContact O-SG 3.09Å
668	D	58.2	Low	53	Low	89 Å²	89	106.4 Å²	106.4	48%	0.476	51%	0.508	S	S	.	.	H	α-helix	trans	-73.4	-38.8	-179.3	-157.3	45.1	0	0	0	111.5	A664 I665 C671 R672	A664-D668 WeakPolarHBondContact O-CB 3.41Å; A664-D668 PolarHBondContact O-N 3.44Å; I665-D668 PolarHBondContact O-N 2.84Å; D668-C671 PolarHBondContact O-N 3.34Å; D668-R672 WeakPolarHBondContact O-CB 3.24Å; D668-R672 VanDerWaalsContact O-CG 3.22Å; D668-R672 WeakPolarHBondContact O-CG 3.41Å; D668-R672 PolarHBondContact O-N 2.85Å; D668-R672 IonicContact OD2-NE 2.65Å
669	D	61.3	Low	53.6	Low	71 Å²	71	101.7 Å²	101.7	38%	0.38	49%	0.488	S	S	.	.	H	α-helix	trans	-71.1	-33.6	172.1	-79.7	-25.3	0	0	0	112.5	I665 R672 N673	I665-D669 PolarHBondContact O-N 2.91Å; D669-R672 PolarHBondContact O-N 3.06Å; D669-R672 IonicContact OD1-NH1 3.86Å; D669-N673 WeakPolarHBondContact O-CB 3.26Å; D669-N673 PolarHBondContact O-N 3.12Å; D669-N673 PolarHBondContact O-ND2 2.99Å
670	L	54.9	Low	54.4	Low	54 Å²	54	101.5 Å²	101.5	28%	0.283	48%	0.483	S	S	.	.	H	α-helix	trans	-68.6	-39.9	171	-175.9	137.4	0	0	0	111	Y666 N673 I674	Y666-L670 HydrophobicContact CE1-CD1 4.24Å; Y666-L670 HydrophobicContact CE2-CD1 4.43Å; Y666-L670 WeakPolarHBondContact O-CB 3.39Å; Y666-L670 PolarHBondContact O-N 2.82Å; L670-N673 PolarHBondContact O-N 2.81Å; L670-I674 HydrophobicContact CD2-CD1 3.56Å; L670-I674 HydrophobicContact CG-CD1 4.14Å; L670-I674 WeakPolarHBondContact O-CB 3.34Å; L670-I674 VanDerWaalsContact O-CG1 3.27Å; L670-I674 WeakPolarHBondContact O-CG1 3.47Å; L670-I674 PolarHBondContact O-N 3.29Å
671	C	56.6	Low	54.7	Low	71 Å²	71	97.4 Å²	97.4	48%	0.48	48%	0.476	S	S	.	.	H	α-helix	trans	-66.3	-37.8	172.8	-72.4	0	0	0	0	112.3	L667 D668 R675	L667-C671 VanDerWaalsContact O-CB 3.24Å; L667-C671 WeakPolarHBondContact O-CB 3.36Å; L667-C671 PolarHBondContact O-N 2.84Å; L667-C671 PolarHBondContact O-SG 3.09Å; D668-C671 PolarHBondContact O-N 3.34Å; C671-R675 WeakPolarHBondContact O-CB 3.21Å; C671-R675 PolarHBondContact O-N 3.34Å
672	R	60.2	Low	54.7	Low	140 Å²	140	93.9 Å²	93.9	53%	0.528	46%	0.461	S	S	.	.	H	α-helix	trans	-64.8	-46.9	172.1	-77.5	167	172.7	-166	-5.6	111.7	D668 D669 R675 N676	D668-R672 WeakPolarHBondContact O-CB 3.24Å; D668-R672 VanDerWaalsContact O-CG 3.22Å; D668-R672 WeakPolarHBondContact O-CG 3.41Å; D668-R672 PolarHBondContact O-N 2.85Å; D668-R672 IonicContact OD2-NE 2.65Å; D669-R672 PolarHBondContact O-N 3.06Å; D669-R672 IonicContact OD1-NH1 3.86Å; R672-R675 PolarHBondContact O-N 3.38Å; R672-N676 VanDerWaalsContact O-CB 3.26Å; R672-N676 WeakPolarHBondContact O-CB 3.46Å; R672-N676 PolarHBondContact O-N 2.81Å; R672-N676 PolarHBondContact O-OD1 2.84Å
673	N	59	Low	55.4	Low	97 Å²	97	91.2 Å²	91.2	52%	0.519	45%	0.451	S	S	.	.	H	α-helix	trans	-65.2	-40.8	178	-80	-57.9	0	0	0	112.1	D669 L670 K677	D669-N673 WeakPolarHBondContact O-CB 3.26Å; D669-N673 PolarHBondContact O-N 3.12Å; D669-N673 PolarHBondContact O-ND2 2.99Å; L670-N673 PolarHBondContact O-N 2.81Å; N673-K677 VanDerWaalsContact O-CB 3.32Å; N673-K677 WeakPolarHBondContact O-CB 3.36Å; N673-K677 WeakPolarHBondContact O-CG 3.04Å; N673-K677 PolarHBondContact O-N 3.17Å
674	I	56.8	Low	55.7	Low	85 Å²	85	95 Å²	95	44%	0.436	47%	0.469	S	S	.	.	H	α-helix	trans	-63.7	-45.7	172.3	-71.2	173.5	0	0	0	110.6	L670 N676 K677 F678	L670-I674 HydrophobicContact CD2-CD1 3.56Å; L670-I674 HydrophobicContact CG-CD1 4.14Å; L670-I674 WeakPolarHBondContact O-CB 3.34Å; L670-I674 VanDerWaalsContact O-CG1 3.27Å; L670-I674 WeakPolarHBondContact O-CG1 3.47Å; L670-I674 PolarHBondContact O-N 3.29Å; I674-N676 PolarHBondContact O-N 3.12Å; I674-K677 PolarHBondContact O-N 3.45Å; I674-F678 HydrophobicContact CG2-CD2 3.99Å; I674-F678 HydrophobicContact CG2-CE2 4.5Å; I674-F678 WeakPolarHBondContact O-CB 3.18Å; I674-F678 PolarHBondContact O-N 3.08Å
675	R	56.9	Low	55.6	Low	195 Å²	195	95.4 Å²	95.4	74%	0.736	47%	0.465	S	S	*	.	H	α-helix	trans	-63.1	-41.5	178.2	-177.9	176.3	179.1	176.6	-1.1	112.2	C671 R672 F678 S679	C671-R675 WeakPolarHBondContact O-CB 3.21Å; C671-R675 PolarHBondContact O-N 3.34Å; R672-R675 PolarHBondContact O-N 3.38Å; R675-F678 PolarHBondContact O-N 3.03Å; R675-S679 WeakPolarHBondContact O-CB 3.43Å; R675-S679 PolarHBondContact O-N 3.06Å; R675-S679 PolarHBondContact O-OG 3.33Å
676	N	60.5	Low	55	Low	87 Å²	87	96.2 Å²	96.2	47%	0.465	47%	0.467	S	S	.	.	H	α-helix	trans	-65.9	-48.8	177.6	-70	-5.7	0	0	0	110.3	R672 I674 F678 S679 Q680	R672-N676 VanDerWaalsContact O-CB 3.26Å; R672-N676 WeakPolarHBondContact O-CB 3.46Å; R672-N676 PolarHBondContact O-N 2.81Å; R672-N676 PolarHBondContact O-OD1 2.84Å; I674-N676 PolarHBondContact O-N 3.12Å; N676-F678 VanDerWaalsContact C-N 3.34Å; N676-F678 PolarHBondContact O-N 3.25Å; N676-S679 WeakPolarHBondContact CA-OG 3.48Å; N676-S679 PolarHBondContact O-N 3.34Å; N676-S679 VanDerWaalsContact O-N 3.17Å; N676-S679 PolarHBondContact O-OG 2.82Å; N676-Q680 WeakPolarHBondContact O-CG 3.42Å; N676-Q680 PolarHBondContact O-N 2.63Å
677	K	55.4	Low	55	Low	120 Å²	120	94.9 Å²	94.9	52%	0.522	47%	0.469	S	S	.	.	H	α-helix	trans	-58.1	-42.2	172.4	-76.9	-178.4	174.3	-175.2	0	112.3	N673 I674 Q680 S681	N673-K677 VanDerWaalsContact O-CB 3.32Å; N673-K677 WeakPolarHBondContact O-CB 3.36Å; N673-K677 WeakPolarHBondContact O-CG 3.04Å; N673-K677 PolarHBondContact O-N 3.17Å; I674-K677 PolarHBondContact O-N 3.45Å; K677-Q680 PolarHBondContact O-N 2.9Å; K677-S681 WeakPolarHBondContact O-CB 3.29Å; K677-S681 PolarHBondContact O-N 2.82Å
678	F	52.8	Low	55	Low	138 Å²	138	99.2 Å²	99.2	61%	0.605	48%	0.481	S	S	*	.	H	α-helix	trans	-65.1	-40	175.3	-109.8	-84.7	0	0	0	112.2	I674 R675 N676 L682	I674-F678 HydrophobicContact CG2-CD2 3.99Å; I674-F678 HydrophobicContact CG2-CE2 4.5Å; I674-F678 WeakPolarHBondContact O-CB 3.18Å; I674-F678 PolarHBondContact O-N 3.08Å; R675-F678 PolarHBondContact O-N 3.03Å; N676-F678 VanDerWaalsContact C-N 3.34Å; N676-F678 PolarHBondContact O-N 3.25Å; F678-L682 VanDerWaalsContact O-CB 3.27Å; F678-L682 WeakPolarHBondContact O-CB 3.29Å; F678-L682 PolarHBondContact O-N 3.2Å
679	S	53.1	Low	54.5	Low	50 Å²	50	101.5 Å²	101.5	35%	0.35	48%	0.483	S	S	.	.	H	α-helix	trans	-69.2	-37.9	176.3	62.1	0	0	0	0	112.5	R675 N676 L682 I683	R675-S679 WeakPolarHBondContact O-CB 3.43Å; R675-S679 PolarHBondContact O-N 3.06Å; R675-S679 PolarHBondContact O-OG 3.33Å; N676-S679 WeakPolarHBondContact CA-OG 3.48Å; N676-S679 PolarHBondContact O-N 3.34Å; N676-S679 VanDerWaalsContact O-N 3.17Å; N676-S679 PolarHBondContact O-OG 2.82Å; S679-L682 PolarHBondContact O-N 3.43Å; S679-I683 WeakPolarHBondContact O-CB 3.46Å; S679-I683 WeakPolarHBondContact O-CD1 3.44Å; S679-I683 WeakPolarHBondContact O-CG1 3.27Å; S679-I683 PolarHBondContact O-N 2.84Å
680	Q	59.4	Low	53.8	Low	115 Å²	115	104.2 Å²	104.2	54%	0.537	49%	0.489	S	S	.	.	H	α-helix	trans	-65.2	-48.4	172.8	-74.9	175.5	-43.1	0	0	110.5	N676 K677 L682 I683 E684	N676-Q680 WeakPolarHBondContact O-CG 3.42Å; N676-Q680 PolarHBondContact O-N 2.63Å; K677-Q680 PolarHBondContact O-N 2.9Å; Q680-L682 VanDerWaalsContact C-N 3.34Å; Q680-L682 PolarHBondContact O-N 2.96Å; Q680-I683 PolarHBondContact O-N 3.06Å; Q680-E684 WeakPolarHBondContact O-CB 3.28Å; Q680-E684 WeakPolarHBondContact O-CG 3.38Å; Q680-E684 PolarHBondContact O-N 3.17Å
681	S	51.4	Low	53.6	Low	57 Å²	57	105 Å²	105	40%	0.399	50%	0.496	S	S	.	.	H	α-helix	trans	-60.7	-37.9	175.3	-178.2	0	0	0	0	112.8	K677 E685	K677-S681 WeakPolarHBondContact O-CB 3.29Å; K677-S681 PolarHBondContact O-N 2.82Å; S681-E685 WeakPolarHBondContact O-CB 3.25Å; S681-E685 PolarHBondContact O-N 2.72Å
682	L	47.6	Very low	53.1	Low	84 Å²	84	105 Å²	105	44%	0.44	49%	0.492	S	S	.	.	H	α-helix	trans	-67.8	-42.5	172.6	-99.2	162.5	0	0	0	112.3	F678 S679 Q680 M686	F678-L682 VanDerWaalsContact O-CB 3.27Å; F678-L682 WeakPolarHBondContact O-CB 3.29Å; F678-L682 PolarHBondContact O-N 3.2Å; S679-L682 PolarHBondContact O-N 3.43Å; Q680-L682 VanDerWaalsContact C-N 3.34Å; Q680-L682 PolarHBondContact O-N 2.96Å; L682-M686 WeakPolarHBondContact O-CB 3.07Å; L682-M686 WeakPolarHBondContact O-CG 3.21Å; L682-M686 PolarHBondContact O-N 3.26Å
683	I	58.1	Low	52.2	Low	98 Å²	98	100.5 Å²	100.5	50%	0.503	48%	0.476	S	S	.	.	H	α-helix	trans	-66	-41.9	176.4	-71.2	164	0	0	0	110.2	S679 Q680 M686 N687	S679-I683 WeakPolarHBondContact O-CB 3.46Å; S679-I683 WeakPolarHBondContact O-CD1 3.44Å; S679-I683 WeakPolarHBondContact O-CG1 3.27Å; S679-I683 PolarHBondContact O-N 2.84Å; Q680-I683 PolarHBondContact O-N 3.06Å; I683-M686 PolarHBondContact O-N 3.11Å; I683-N687 VanDerWaalsContact O-CB 3.23Å; I683-N687 WeakPolarHBondContact O-CB 3.12Å; I683-N687 PolarHBondContact O-N 2.72Å; I683-N687 PolarHBondContact O-ND2 2.81Å
684	E	55	Low	51.5	Low	132 Å²	132	98.6 Å²	98.6	62%	0.617	47%	0.465	S	S	*	.	H	α-helix	trans	-64.8	-45.1	175.2	-75.2	177.1	-171.4	0	0	111.9	Q680 N687 R688	Q680-E684 WeakPolarHBondContact O-CB 3.28Å; Q680-E684 WeakPolarHBondContact O-CG 3.38Å; Q680-E684 PolarHBondContact O-N 3.17Å; E684-N687 PolarHBondContact O-N 3.13Å; E684-R688 WeakPolarHBondContact O-CB 3.33Å; E684-R688 PolarHBondContact O-N 3.45Å
685	E	48.4	Very low	50.7	Low	47 Å²	47	98.8 Å²	98.8	22%	0.22	46%	0.464	C	S	.	.	H	α-helix	trans	-70.8	-33.3	176.2	174.4	65.3	169.5	0	0	112.3	S681 R688 R689	S681-E685 WeakPolarHBondContact O-CB 3.25Å; S681-E685 PolarHBondContact O-N 2.72Å; E685-R688 IonicContact OE1-NH2 3.04Å; E685-R688 PolarHBondContact OE1-NH2 3.16Å; E685-R688 IonicContact OE2-CZ 3.2Å; E685-R688 IonicContact OE2-NE 2.68Å; E685-R688 PolarHBondContact OE2-NE 2.78Å; E685-R688 IonicContact OE2-NH2 3.8Å; E685-R688 PolarHBondContact OE2-NH2 3.45Å; E685-R689 VanDerWaalsContact O-CB 3.29Å; E685-R689 WeakPolarHBondContact O-CB 3.42Å; E685-R689 WeakPolarHBondContact O-CG 3.44Å; E685-R689 PolarHBondContact O-N 2.85Å; E685-R689 IonicContact OE1-CZ 3.72Å; E685-R689 IonicContact OE1-NE 3.93Å; E685-R689 PolarHBondContact OE1-NE 2.98Å; E685-R689 IonicContact OE1-NH2 3.85Å; E685-R689 PolarHBondContact OE1-NH2 3.2Å
686	M	45.3	Very low	50	Low	108 Å²	108	93.9 Å²	93.9	53%	0.532	45%	0.452	S	S	.	.	H	α-helix	trans	-66.8	-45.1	171.2	-78.2	-178.3	69.3	0	0	111.2	L682 I683 R689 Y690	L682-M686 WeakPolarHBondContact O-CB 3.07Å; L682-M686 WeakPolarHBondContact O-CG 3.21Å; L682-M686 PolarHBondContact O-N 3.26Å; I683-M686 PolarHBondContact O-N 3.11Å; M686-R689 PolarHBondContact O-N 2.9Å; M686-Y690 WeakPolarHBondContact O-CB 3.48Å; M686-Y690 PolarHBondContact O-N 3.07Å
687	N	52.7	Low	49	Very low	96 Å²	96	96.3 Å²	96.3	51%	0.513	46%	0.455	S	S	.	.	H	α-helix	trans	-64.3	-41.7	174.8	-72.4	-18.4	0	0	0	111	I683 E684 R689 Y690 T691	I683-N687 VanDerWaalsContact O-CB 3.23Å; I683-N687 WeakPolarHBondContact O-CB 3.12Å; I683-N687 PolarHBondContact O-N 2.72Å; I683-N687 PolarHBondContact O-ND2 2.81Å; E684-N687 PolarHBondContact O-N 3.13Å; N687-R689 PolarHBondContact O-N 3.14Å; N687-Y690 PolarHBondContact O-N 2.89Å; N687-T691 WeakPolarHBondContact O-CG2 3.34Å; N687-T691 PolarHBondContact O-N 3.38Å; N687-T691 PolarHBondContact O-OG1 3.05Å
688	R	52.6	Low	48.5	Very low	150 Å²	150	96.2 Å²	96.2	57%	0.566	46%	0.459	S	S	*	.	H	α-helix	trans	-66.6	-34.8	176.6	-165.9	-175.4	72.9	154.2	3.7	112	E684 E685 T691 N692	E684-R688 WeakPolarHBondContact O-CB 3.33Å; E684-R688 PolarHBondContact O-N 3.45Å; E685-R688 IonicContact OE1-NH2 3.04Å; E685-R688 PolarHBondContact OE1-NH2 3.16Å; E685-R688 IonicContact OE2-CZ 3.2Å; E685-R688 IonicContact OE2-NE 2.68Å; E685-R688 PolarHBondContact OE2-NE 2.78Å; E685-R688 IonicContact OE2-NH2 3.8Å; E685-R688 PolarHBondContact OE2-NH2 3.45Å; R688-T691 WeakPolarHBondContact CA-OG1 3.17Å; R688-T691 PolarHBondContact O-OG1 3.27Å; R688-N692 VanDerWaalsContact O-CB 3.23Å; R688-N692 WeakPolarHBondContact O-CB 3.5Å; R688-N692 PolarHBondContact O-N 2.61Å; R688-N692 PolarHBondContact O-ND2 3.31Å
689	R	46.5	Very low	47.7	Very low	137 Å²	137	93.8 Å²	93.8	52%	0.517	45%	0.452	S	S	.	.	H	α-helix	trans	-69.5	-41.8	170.5	-76.4	175.3	-169.3	-174.8	10.7	111.3	E685 M686 N687 N692 E693	E685-R689 VanDerWaalsContact O-CB 3.29Å; E685-R689 WeakPolarHBondContact O-CB 3.42Å; E685-R689 WeakPolarHBondContact O-CG 3.44Å; E685-R689 PolarHBondContact O-N 2.85Å; E685-R689 IonicContact OE1-CZ 3.72Å; E685-R689 IonicContact OE1-NE 3.93Å; E685-R689 PolarHBondContact OE1-NE 2.98Å; E685-R689 IonicContact OE1-NH2 3.85Å; E685-R689 PolarHBondContact OE1-NH2 3.2Å; M686-R689 PolarHBondContact O-N 2.9Å; N687-R689 PolarHBondContact O-N 3.14Å; R689-N692 PolarHBondContact O-N 3.11Å; R689-E693 VanDerWaalsContact O-CB 3.3Å; R689-E693 WeakPolarHBondContact O-CB 3.48Å; R689-E693 VanDerWaalsContact O-CG 3.3Å; R689-E693 WeakPolarHBondContact O-CG 3.33Å; R689-E693 PolarHBondContact O-N 2.64Å
690	Y	46.6	Very low	46.7	Very low	127 Å²	127	99 Å²	99	50%	0.498	47%	0.469	S	S	.	.	H	α-helix	trans	-62.3	-43.8	176.1	-175.6	-95.7	0	0	0	112.3	M686 N687 E693 M694	M686-Y690 WeakPolarHBondContact O-CB 3.48Å; M686-Y690 PolarHBondContact O-N 3.07Å; N687-Y690 PolarHBondContact O-N 2.89Å; Y690-E693 PolarHBondContact O-N 3.09Å; Y690-M694 HydrophobicContact CE1-CG 4.38Å; Y690-M694 HydrophobicContact CE2-CE 4.37Å; Y690-M694 WeakPolarHBondContact O-CG 3.08Å; Y690-M694 PolarHBondContact O-N 2.96Å
691	T	50.5	Low	45.4	Very low	72 Å²	72	101 Å²	101	44%	0.442	48%	0.478	S	S	.	.	H	α-helix	trans	-68.6	-43.6	174.3	55.3	0	0	0	0	111.9	N687 R688 E693 M694 E695	N687-T691 WeakPolarHBondContact O-CG2 3.34Å; N687-T691 PolarHBondContact O-N 3.38Å; N687-T691 PolarHBondContact O-OG1 3.05Å; R688-T691 WeakPolarHBondContact CA-OG1 3.17Å; R688-T691 PolarHBondContact O-OG1 3.27Å; T691-E693 VanDerWaalsContact C-N 3.28Å; T691-E693 PolarHBondContact O-N 2.78Å; T691-M694 PolarHBondContact O-N 2.86Å; T691-M694 VanDerWaalsContact O-N 3.13Å; T691-E695 WeakPolarHBondContact O-CG 3.4Å; T691-E695 PolarHBondContact O-N 3.28Å
692	N	46.4	Very low	44.4	Very low	71 Å²	71	103.7 Å²	103.7	38%	0.38	49%	0.492	S	S	.	.	H	α-helix	trans	-60.5	-36.5	172.6	-88	-98.8	0	0	0	111.8	R688 R689 N696	R688-N692 VanDerWaalsContact O-CB 3.23Å; R688-N692 WeakPolarHBondContact O-CB 3.5Å; R688-N692 PolarHBondContact O-N 2.61Å; R688-N692 PolarHBondContact O-ND2 3.31Å; R689-N692 PolarHBondContact O-N 3.11Å; N692-N696 WeakPolarHBondContact O-CB 3.46Å; N692-N696 VanDerWaalsContact O-CG 3.3Å; N692-N696 PolarHBondContact O-N 2.81Å; N692-N696 PolarHBondContact O-ND2 3.23Å
693	E	40.7	Very low	43.5	Very low	45 Å²	45	105.6 Å²	105.6	21%	0.21	50%	0.503	C	S	.	.	H	α-helix	trans	-69.5	-33.3	176.1	-79.6	179.3	-153.8	0	0	112.1	R689 Y690 T691 R697	R689-E693 VanDerWaalsContact O-CB 3.3Å; R689-E693 WeakPolarHBondContact O-CB 3.48Å; R689-E693 VanDerWaalsContact O-CG 3.3Å; R689-E693 WeakPolarHBondContact O-CG 3.33Å; R689-E693 PolarHBondContact O-N 2.64Å; Y690-E693 PolarHBondContact O-N 3.09Å; T691-E693 VanDerWaalsContact C-N 3.28Å; T691-E693 PolarHBondContact O-N 2.78Å; E693-R697 VanDerWaalsContact O-CD 3.24Å; E693-R697 WeakPolarHBondContact O-CD 3.28Å; E693-R697 WeakPolarHBondContact O-CG 3.37Å; E693-R697 PolarHBondContact O-N 3.33Å; E693-R697 VanDerWaalsContact O-N 3.16Å; E693-R697 PolarHBondContact O-NE 3.07Å; E693-R697 IonicContact OE2-NH2 3.48Å
694	M	44.3	Very low	42.3	Very low	56 Å²	56	107.6 Å²	107.6	28%	0.276	51%	0.505	S	S	.	.	H	α-helix	trans	-67.4	-50.4	170.1	-75.1	-69.6	154.9	0	0	111.7	Y690 T691 N696 R697	Y690-M694 HydrophobicContact CE1-CG 4.38Å; Y690-M694 HydrophobicContact CE2-CE 4.37Å; Y690-M694 WeakPolarHBondContact O-CG 3.08Å; Y690-M694 PolarHBondContact O-N 2.96Å; T691-M694 PolarHBondContact O-N 2.86Å; T691-M694 VanDerWaalsContact O-N 3.13Å; M694-N696 PolarHBondContact O-N 2.9Å; M694-R697 WeakPolarHBondContact O-CB 3.16Å; M694-R697 PolarHBondContact O-N 2.54Å
695	E	41.5	Very low	41.1	Very low	90 Å²	90	106.6 Å²	106.6	42%	0.421	50%	0.503	S	S	.	.	H	α-helix	trans	-64.8	-36.9	179.7	-69	-173.9	140.3	0	0	112.9	T691 I698 N699	T691-E695 WeakPolarHBondContact O-CG 3.4Å; T691-E695 PolarHBondContact O-N 3.28Å; E695-I698 WeakPolarHBondContact O-CB 3.21Å; E695-I698 PolarHBondContact O-N 2.85Å; E695-N699 PolarHBondContact O-N 3.17Å; E695-N699 PolarHBondContact O-ND2 2.74Å
696	N	41.9	Very low	40.5	Very low	91 Å²	91	110.9 Å²	110.9	49%	0.487	52%	0.518	S	S	.	.	H	α-helix	trans	-76.1	-25.3	177.9	-74.5	-65.2	0	0	0	113	N692 M694 I698 N699	N692-N696 WeakPolarHBondContact O-CB 3.46Å; N692-N696 VanDerWaalsContact O-CG 3.3Å; N692-N696 PolarHBondContact O-N 2.81Å; N692-N696 PolarHBondContact O-ND2 3.23Å; M694-N696 PolarHBondContact O-N 2.9Å; N696-I698 PolarHBondContact O-N 3.49Å; N696-N699 CarbonylContact O-C 3.6Å; N696-N699 PolarHBondContact O-N 3.19Å
697	R	38.2	Very low	40.1	Very low	138 Å²	138	112.5 Å²	112.5	52%	0.521	52%	0.524	S	S	.	.	H	α-helix	trans	-59.9	-32.5	167.2	-76.4	161.6	-158.1	-150.7	4.8	111.5	E693 M694	E693-R697 VanDerWaalsContact O-CD 3.24Å; E693-R697 WeakPolarHBondContact O-CD 3.28Å; E693-R697 WeakPolarHBondContact O-CG 3.37Å; E693-R697 PolarHBondContact O-N 3.33Å; E693-R697 VanDerWaalsContact O-N 3.16Å; E693-R697 PolarHBondContact O-NE 3.07Å; E693-R697 IonicContact OE2-NH2 3.48Å; M694-R697 WeakPolarHBondContact O-CB 3.16Å; M694-R697 PolarHBondContact O-N 2.54Å
698	I	45.7	Very low	39.9	Very low	119 Å²	119	109.7 Å²	109.7	61%	0.61	51%	0.506	S	S	*	.	H	α-helix	trans	-78.7	-23	174.3	-56.7	169.6	0	0	0	111.2	E695 N696	E695-I698 WeakPolarHBondContact O-CB 3.21Å; E695-I698 PolarHBondContact O-N 2.85Å; N696-I698 PolarHBondContact O-N 3.49Å
699	N	35.2	Very low	40.1	Very low	87 Å²	87	105.1 Å²	105.1	47%	0.465	50%	0.497	S	S	.	.	S	Bend	trans	-131.7	58.3	-165	-78.9	-67.8	0	0	0	117.9	E695 N696	E695-N699 PolarHBondContact O-N 3.17Å; E695-N699 PolarHBondContact O-ND2 2.74Å; N696-N699 CarbonylContact O-C 3.6Å; N696-N699 PolarHBondContact O-N 3.19Å
700	K	33	Very low	41	Very low	160 Å²	160	100.2 Å²	100.2	70%	0.696	48%	0.481	S	S	*	.			trans	72.2	107.1	153.1	-47.4	171.9	-164.2	66.7	0	118.1	V702	K700-V702 PolarHBondContact O-N 3.43Å
701	Q	31.8	Very low	41.8	Very low	157 Å²	157	100.4 Å²	100.4	73%	0.734	49%	0.486	S	S	*	.			trans	23.3	91.3	138.8	-63.2	-177.3	-20.8	0	0	118.5	E1220	Q701-E1220 PolarHBondContact NE2-OE1 2.83Å
702	V	30.2	Very low	42.4	Very low	113 Å²	113	101 Å²	101	69%	0.685	48%	0.481	S	S	*	.			trans	-143.5	139	157.7	-177.2	0	0	0	0	110.5	K700 Y704	K700-V702 PolarHBondContact O-N 3.43Å; V702-Y704 HydrophobicContact CG1-CE2 4.21Å
703	N	29.1	Very low	43.5	Very low	124 Å²	124	97.8 Å²	97.8	66%	0.663	46%	0.464	S	S	*	.			trans	-63.4	126.7	-179.6	-56.6	-6	0	0	0	113.1
704	Y	33.4	Very low	45.2	Very low	139 Å²	139	97.8 Å²	97.8	55%	0.545	47%	0.465	S	S	.	.			trans	-138.4	140.4	157.3	-76.3	-78	0	0	0	110.3	V702 Y706	V702-Y704 HydrophobicContact CG1-CE2 4.21Å; Y704-Y706 WeakPolarHBondContact O-CD2 3.28Å
705	L	29.2	Very low	46.4	Very low	112 Å²	112	96.9 Å²	96.9	59%	0.586	46%	0.464	S	S	*	.			trans	-91.6	121.5	-178.4	-66.3	102.9	0	0	0	110.3	W571	W571-L705 HydrophobicContact CH2-CB 3.78Å; W571-L705 HydrophobicContact CH2-CD1 3.84Å; W571-L705 HydrophobicContact CH2-CD2 3.83Å; W571-L705 HydrophobicContact CH2-CG 4.02Å; W571-L705 HydrophobicContact CZ2-CD1 4.26Å; W571-L705 HydrophobicContact CZ2-CD2 3.77Å; W571-L705 HydrophobicContact CZ2-CG 4.42Å; W571-L705 HydrophobicContact CZ3-CB 4.36Å; W571-L705 HydrophobicContact CZ3-CD1 4.02Å
706	Y	36.4	Very low	47.7	Very low	136 Å²	136	92.9 Å²	92.9	53%	0.533	45%	0.446	S	S	.	.			trans	-113	92.1	177.1	-67	-94.5	0	0	0	109.3	Y704	Y704-Y706 WeakPolarHBondContact O-CD2 3.28Å
707	H	36.2	Very low	49.6	Very low	143 Å²	143	88.7 Å²	88.7	66%	0.662	42%	0.424	S	S	*	.			trans	-63	145.4	159.1	-96.1	-74.1	0	0	0	108.9	C709	H707-C709 VanDerWaalsContact C-N 3.34Å; H707-C709 PolarHBondContact O-N 3.24Å
708	W	48.1	Very low	51.6	Low	36 Å²	36	85.6 Å²	85.6	14%	0.136	42%	0.417	C	S	.	.			trans	-77.1	89.5	173.2	-149.3	6.8	0	0	0	108.7	Y712 M810 Y820 P1145	W708-Y712 AromaticContact CD1-CG 3.99Å; W708-M810 HydrophobicContact CE3-CE 4.06Å; W708-M810 HydrophobicContact CE3-CG 3.6Å; W708-M810 HydrophobicContact CE3-SD 4.41Å; W708-M810 HydrophobicContact CH2-CG 4.16Å; W708-M810 HydrophobicContact CZ3-CB 4.47Å; W708-M810 HydrophobicContact CZ3-CE 3.7Å; W708-M810 HydrophobicContact CZ3-CG 3.3Å; W708-M810 HydrophobicContact CZ3-SD 4.26Å; W708-Y820 PolarHBondContact O-OH 3Å; W708-P1145 HydrophobicContact CE3-CB 3.85Å; W708-P1145 HydrophobicContact CH2-CB 4.08Å; W708-P1145 VanDerWaalsContact CH2-CD 3.47Å; W708-P1145 HydrophobicContact CH2-CG 4.29Å; W708-P1145 HydrophobicContact CZ3-CB 3.56Å; W708-P1145 HydrophobicContact CZ3-CG 3.87Å
709	C	57.5	Low	52.9	Low	55 Å²	55	83.8 Å²	83.8	37%	0.372	41%	0.406	S	S	.	.			trans	-54.4	146.8	-173.8	-59.9	0	0	0	0	112.3	H707 E711 Y712	H707-C709 VanDerWaalsContact C-N 3.34Å; H707-C709 PolarHBondContact O-N 3.24Å; C709-E711 HydrophobicContact CB-CB 4.3Å; C709-E711 PolarHBondContact O-N 3.18Å; C709-Y712 HydrophobicContact CB-CD2 3.96Å; C709-Y712 HydrophobicContact CB-CE2 4.45Å; C709-Y712 PolarHBondContact O-N 3.36Å
710	L	65.3	Low	54.9	Low	33 Å²	33	81 Å²	81	17%	0.173	39%	0.391	C	S	.	.	H	α-helix	trans	-47	-37.1	171	179.2	74.4	0	0	0	112.2	Y712 E713 I714 Y820 I823 E824 T827	L710-Y712 VanDerWaalsContact C-N 3.33Å; L710-Y712 PolarHBondContact O-N 2.8Å; L710-E713 PolarHBondContact O-N 3.18Å; L710-I714 HydrophobicContact CD1-CD1 4.08Å; L710-I714 HydrophobicContact CD1-CG1 4.26Å; L710-I714 HydrophobicContact CD2-CD1 3.83Å; L710-I714 HydrophobicContact CG-CD1 3.64Å; L710-I714 HydrophobicContact CG-CG1 4.12Å; L710-I714 WeakPolarHBondContact O-CB 3.34Å; L710-I714 WeakPolarHBondContact O-CG1 3.08Å; L710-I714 PolarHBondContact O-N 3.4Å; L710-Y820 HydrophobicContact CD1-CD1 4.02Å; L710-I823 HydrophobicContact CB-CG2 4.35Å; L710-I823 HydrophobicContact CD1-CB 4.28Å; L710-I823 HydrophobicContact CD1-CG2 4.06Å; L710-I823 HydrophobicContact CD2-CG2 4.04Å; L710-I823 HydrophobicContact CG-CG2 4.36Å; L710-E824 HydrophobicContact CD1-CB 4.22Å; L710-T827 HydrophobicContact CD2-CG2 3.57Å
711	E	62.7	Low	57.3	Low	132 Å²	132	73.8 Å²	73.8	62%	0.617	36%	0.36	S	S	*	.	H	α-helix	trans	-55.8	-41.5	177.2	-60.3	169.2	149.2	0	0	112.8	C709 S715	C709-E711 HydrophobicContact CB-CB 4.3Å; C709-E711 PolarHBondContact O-N 3.18Å; E711-S715 VanDerWaalsContact O-CB 3.26Å; E711-S715 WeakPolarHBondContact O-CB 3.35Å; E711-S715 PolarHBondContact O-N 2.82Å; E711-S715 PolarHBondContact O-OG 3.21Å
712	Y	64.3	Low	59.5	Low	85 Å²	85	72 Å²	72	33%	0.333	35%	0.351	S	S	.	.	H	α-helix	trans	-67.5	-43.8	177.2	-75.2	-75.2	0	0	0	111.6	W708 C709 L710 S715 A716	W708-Y712 AromaticContact CD1-CG 3.99Å; C709-Y712 HydrophobicContact CB-CD2 3.96Å; C709-Y712 HydrophobicContact CB-CE2 4.45Å; C709-Y712 PolarHBondContact O-N 3.36Å; L710-Y712 VanDerWaalsContact C-N 3.33Å; L710-Y712 PolarHBondContact O-N 2.8Å; Y712-S715 PolarHBondContact O-N 3.33Å; Y712-S715 PolarHBondContact O-OG 3.31Å; Y712-A716 PolarHBondContact O-N 3.16Å; Y712-A716 VanDerWaalsContact O-N 3.1Å
713	E	69.8	Low	61.7	Low	3 Å²	3	70.7 Å²	70.7	1%	0.014	33%	0.334	C	S	.	.	H	α-helix	trans	-63.5	-49	177.7	178.3	67.5	-169.6	0	0	110.8	L710 S715 A716 H717 R803 S808 Y820	L710-E713 PolarHBondContact O-N 3.18Å; E713-S715 VanDerWaalsContact C-N 3.33Å; E713-S715 PolarHBondContact O-N 3.13Å; E713-A716 PolarHBondContact O-N 3.44Å; E713-H717 PolarHBondContact O-CD2 3.49Å; E713-H717 PolarHBondContact O-N 2.92Å; E713-H717 IonicContact OE1-CD2 2.72Å; E713-H717 IonicContact OE1-CE1 3.77Å; E713-H717 IonicContact OE1-NE2 2.67Å; E713-H717 PolarHBondContact OE1-NE2 2.77Å; E713-R803 VanDerWaalsContact CG-NH1 3.25Å; E713-R803 IonicContact OE1-NH1 2.74Å; E713-R803 PolarHBondContact OE1-NH1 2.87Å; E713-S808 VanDerWaalsContact CD-OG 3.22Å; E713-S808 PolarHBondContact OE1-OG 2.84Å; E713-S808 VanDerWaalsContact OE1-OG 3.13Å; E713-S808 WeakPolarHBondContact OE2-CB 3.42Å; E713-S808 PolarHBondContact OE2-OG 2.95Å; E713-Y820 HydrophobicContact CB-CD1 4.3Å; E713-Y820 HydrophobicContact CB-CE1 4.39Å; E713-Y820 HydrophobicContact CB-CG 4.46Å; E713-Y820 HydrophobicContact CG-CD1 4.27Å; E713-Y820 HydrophobicContact CG-CD2 4.12Å; E713-Y820 HydrophobicContact CG-CG 3.95Å
714	I	74.5	Confident	64.2	Low	45 Å²	45	65.3 Å²	65.3	23%	0.231	31%	0.305	C	S	.	.	H	α-helix	trans	-58.7	-43.5	174.8	-70.9	178.7	0	0	0	110.8	L710 A716 H717 L718 E824	L710-I714 HydrophobicContact CD1-CD1 4.08Å; L710-I714 HydrophobicContact CD1-CG1 4.26Å; L710-I714 HydrophobicContact CD2-CD1 3.83Å; L710-I714 HydrophobicContact CG-CD1 3.64Å; L710-I714 HydrophobicContact CG-CG1 4.12Å; L710-I714 WeakPolarHBondContact O-CB 3.34Å; L710-I714 WeakPolarHBondContact O-CG1 3.08Å; L710-I714 PolarHBondContact O-N 3.4Å; I714-A716 VanDerWaalsContact C-N 3.28Å; I714-A716 PolarHBondContact O-N 3.35Å; I714-H717 PolarHBondContact O-N 3.13Å; I714-L718 HydrophobicContact CG2-CD1 3.68Å; I714-L718 HydrophobicContact CG2-CG 4.13Å; I714-L718 WeakPolarHBondContact O-CG 3.26Å; I714-L718 PolarHBondContact O-N 2.78Å; I714-E824 HydrophobicContact CD1-CG 4.26Å
715	S	71.4	Confident	66.5	Low	37 Å²	37	59.2 Å²	59.2	26%	0.259	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-33.6	178.8	76.9	0	0	0	0	113.1	E711 Y712 E713 L718 E719 R1143	E711-S715 VanDerWaalsContact O-CB 3.26Å; E711-S715 WeakPolarHBondContact O-CB 3.35Å; E711-S715 PolarHBondContact O-N 2.82Å; E711-S715 PolarHBondContact O-OG 3.21Å; Y712-S715 PolarHBondContact O-N 3.33Å; Y712-S715 PolarHBondContact O-OG 3.31Å; E713-S715 VanDerWaalsContact C-N 3.33Å; E713-S715 PolarHBondContact O-N 3.13Å; S715-L718 PolarHBondContact O-N 2.86Å; S715-E719 VanDerWaalsContact O-CB 3.31Å; S715-E719 WeakPolarHBondContact O-CB 3.36Å; S715-E719 PolarHBondContact O-N 3.29Å; S715-R1143 PolarHBondContact OG-NH1 3.29Å
716	A	67.3	Low	68.9	Low	6 Å²	6	58.2 Å²	58.2	5%	0.05	29%	0.285	C	S	.	.	H	α-helix	trans	-69.3	-36	177.1	0	0	0	0	0	112.4	Y712 E713 I714 M720	Y712-A716 PolarHBondContact O-N 3.16Å; Y712-A716 VanDerWaalsContact O-N 3.1Å; E713-A716 PolarHBondContact O-N 3.44Å; I714-A716 VanDerWaalsContact C-N 3.28Å; I714-A716 PolarHBondContact O-N 3.35Å; A716-M720 WeakPolarHBondContact O-CB 3.14Å; A716-M720 PolarHBondContact O-N 2.85Å
717	H	82.6	Confident	70.8	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-72.8	-39.3	173.7	-64.6	-64.8	0	0	0	112.2	E713 I714 M721 Y802 R803 M804 S807	E713-H717 PolarHBondContact O-CD2 3.49Å; E713-H717 PolarHBondContact O-N 2.92Å; E713-H717 IonicContact OE1-CD2 2.72Å; E713-H717 IonicContact OE1-CE1 3.77Å; E713-H717 IonicContact OE1-NE2 2.67Å; E713-H717 PolarHBondContact OE1-NE2 2.77Å; I714-H717 PolarHBondContact O-N 3.13Å; H717-M721 WeakPolarHBondContact O-CB 3.45Å; H717-M721 PolarHBondContact O-N 3.24Å; H717-Y802 WeakPolarHBondContact CB-O 3.38Å; H717-R803 WeakPolarHBondContact CD2-CD 3.15Å; H717-R803 PolarHBondContact NE2-NH1 3.01Å; H717-M804 PolarHBondContact CE1-O 3.14Å; H717-M804 VanDerWaalsContact CE1-O 3.29Å; H717-M804 PolarHBondContact ND1-N 3.49Å; H717-M804 PolarHBondContact ND1-O 3.47Å; H717-S807 PolarHBondContact CE1-OG 3.05Å; H717-S807 PolarHBondContact ND1-OG 3.01Å
718	L	79.3	Confident	73	Confident	74 Å²	74	50 Å²	50	39%	0.387	25%	0.251	S	S	.	.	H	α-helix	trans	-70.4	-44.9	178.9	-69.9	177.2	0	0	0	113	I714 S715 M720 M721 E722	I714-L718 HydrophobicContact CG2-CD1 3.68Å; I714-L718 HydrophobicContact CG2-CG 4.13Å; I714-L718 WeakPolarHBondContact O-CG 3.26Å; I714-L718 PolarHBondContact O-N 2.78Å; S715-L718 PolarHBondContact O-N 2.86Å; L718-M720 PolarHBondContact O-N 3.06Å; L718-M721 HydrophobicContact CD2-CE 3.88Å; L718-M721 HydrophobicContact CD2-SD 4.44Å; L718-M721 WeakPolarHBondContact O-CB 3.3Å; L718-M721 PolarHBondContact O-N 3.1Å; L718-M721 VanDerWaalsContact O-N 3.14Å; L718-E722 PolarHBondContact O-N 2.81Å
719	E	74.2	Confident	74.6	Confident	81 Å²	81	50.4 Å²	50.4	38%	0.379	26%	0.255	S	S	.	.	H	α-helix	trans	-54.7	-44.1	174.7	-174.8	-164.5	149.2	0	0	110.6	S715 E722 R723 R1143	S715-E719 VanDerWaalsContact O-CB 3.31Å; S715-E719 WeakPolarHBondContact O-CB 3.36Å; S715-E719 PolarHBondContact O-N 3.29Å; E719-E722 PolarHBondContact O-N 2.83Å; E719-R723 VanDerWaalsContact O-CB 3.24Å; E719-R723 WeakPolarHBondContact O-CB 3.31Å; E719-R723 PolarHBondContact O-N 2.95Å; E719-R1143 IonicContact OE2-CZ 2.88Å; E719-R1143 IonicContact OE2-NE 3.86Å; E719-R1143 PolarHBondContact OE2-NE 3.06Å; E719-R1143 IonicContact OE2-NH2 3.54Å; E719-R1143 PolarHBondContact OE2-NH2 3.19Å
720	M	76.5	Confident	75.6	Confident	29 Å²	29	48.4 Å²	48.4	14%	0.143	24%	0.243	C	C	.	.	H	α-helix	trans	-72.8	-34.9	179.5	-167.8	57	174.1	0	0	112.7	A716 L718 L724 M804	A716-M720 WeakPolarHBondContact O-CB 3.14Å; A716-M720 PolarHBondContact O-N 2.85Å; L718-M720 PolarHBondContact O-N 3.06Å; M720-L724 HydrophobicContact CE-CD1 4.1Å; M720-L724 HydrophobicContact CE-CD2 4.12Å; M720-L724 HydrophobicContact CE-CG 4.02Å; M720-L724 HydrophobicContact CG-CD1 4.14Å; M720-L724 HydrophobicContact CG-CG 4.41Å; M720-L724 VanDerWaalsContact O-CB 3.3Å; M720-L724 WeakPolarHBondContact O-CB 2.99Å; M720-L724 VanDerWaalsContact O-CG 3.28Å; M720-L724 WeakPolarHBondContact O-CG 3.49Å; M720-L724 PolarHBondContact O-N 3.36Å; M720-L724 HydrophobicContact SD-CG 4.3Å; M720-M804 HydrophobicContact CE-CE 3.95Å; M720-M804 HydrophobicContact CE-SD 3.72Å; M720-M804 HydrophobicContact CG-CE 3.77Å; M720-M804 HydrophobicContact CG-SD 3.45Å; M720-M804 WeakPolarHBondContact CG-SD 3.37Å; M720-M804 HydrophobicContact SD-SD 4.48Å
721	M	83.1	Confident	76.4	Confident	8 Å²	8	48 Å²	48	4%	0.039	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-48.6	170.9	-174.4	-166.9	67.9	0	0	111.1	H717 L718 L724 S725 A778 A781 L785 Y802	H717-M721 WeakPolarHBondContact O-CB 3.45Å; H717-M721 PolarHBondContact O-N 3.24Å; L718-M721 HydrophobicContact CD2-CE 3.88Å; L718-M721 HydrophobicContact CD2-SD 4.44Å; L718-M721 WeakPolarHBondContact O-CB 3.3Å; L718-M721 PolarHBondContact O-N 3.1Å; L718-M721 VanDerWaalsContact O-N 3.14Å; M721-L724 PolarHBondContact O-N 3.1Å; M721-S725 VanDerWaalsContact O-CB 3.29Å; M721-S725 WeakPolarHBondContact O-CB 3.37Å; M721-S725 PolarHBondContact O-N 3.01Å; M721-S725 PolarHBondContact O-OG 3.46Å; M721-A778 HydrophobicContact CG-CB 4.18Å; M721-A781 HydrophobicContact CG-CB 4.19Å; M721-A781 HydrophobicContact SD-CB 3.63Å; M721-L785 HydrophobicContact CE-CD1 3.85Å; M721-L785 HydrophobicContact SD-CD1 3.96Å; M721-Y802 HydrophobicContact CB-CD1 3.74Å; M721-Y802 HydrophobicContact CB-CE1 3.72Å; M721-Y802 HydrophobicContact CG-CD1 4.06Å; M721-Y802 HydrophobicContact CG-CE1 4.2Å; M721-Y802 HydrophobicContact CG-CG 4.42Å; M721-Y802 HydrophobicContact SD-CD1 4.45Å; M721-Y802 HydrophobicContact SD-CG 4.46Å
722	E	78.2	Confident	77.2	Confident	118 Å²	118	46.7 Å²	46.7	55%	0.551	23%	0.233	S	C	*	.	H	α-helix	trans	-62.6	-46.8	179	-70.8	-175.1	164.1	0	0	111.2	L718 E719 L724 S725 S726	L718-E722 PolarHBondContact O-N 2.81Å; E719-E722 PolarHBondContact O-N 2.83Å; E722-L724 PolarHBondContact O-N 3.3Å; E722-S725 PolarHBondContact O-N 2.9Å; E722-S725 PolarHBondContact O-OG 2.99Å; E722-S726 PolarHBondContact O-N 2.86Å; E722-S726 VanDerWaalsContact O-N 3.09Å
723	R	77.4	Confident	78	Confident	87 Å²	87	50.8 Å²	50.8	33%	0.328	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-35.3	176.9	-177.8	176.6	179.9	149.3	1.6	114	E719 S726 M727	E719-R723 VanDerWaalsContact O-CB 3.24Å; E719-R723 WeakPolarHBondContact O-CB 3.31Å; E719-R723 PolarHBondContact O-N 2.95Å; R723-S726 PolarHBondContact O-OG 2.87Å; R723-S726 VanDerWaalsContact O-OG 3.09Å; R723-M727 HydrophobicContact CG-CE 4.37Å
724	L	81.4	Confident	78.7	Confident	10 Å²	10	52.5 Å²	52.5	5%	0.052	26%	0.264	C	S	.	.	H	α-helix	trans	-76.7	-36.5	174.1	-75	173.3	0	0	0	111.5	M720 M721 E722 S726 M727 V775 A778 M804	M720-L724 HydrophobicContact CE-CD1 4.1Å; M720-L724 HydrophobicContact CE-CD2 4.12Å; M720-L724 HydrophobicContact CE-CG 4.02Å; M720-L724 HydrophobicContact CG-CD1 4.14Å; M720-L724 HydrophobicContact CG-CG 4.41Å; M720-L724 VanDerWaalsContact O-CB 3.3Å; M720-L724 WeakPolarHBondContact O-CB 2.99Å; M720-L724 VanDerWaalsContact O-CG 3.28Å; M720-L724 WeakPolarHBondContact O-CG 3.49Å; M720-L724 PolarHBondContact O-N 3.36Å; M720-L724 HydrophobicContact SD-CG 4.3Å; M721-L724 PolarHBondContact O-N 3.1Å; E722-L724 PolarHBondContact O-N 3.3Å; L724-S726 VanDerWaalsContact C-N 3.32Å; L724-S726 PolarHBondContact O-N 3.14Å; L724-M727 PolarHBondContact O-N 2.98Å; L724-M727 VanDerWaalsContact O-N 3.14Å; L724-V775 HydrophobicContact CD2-CG2 4Å; L724-A778 HydrophobicContact CB-CB 3.44Å; L724-A778 VanDerWaalsContact CB-CB 3.44Å; L724-A778 HydrophobicContact CD1-CB 4.33Å; L724-M804 HydrophobicContact CD1-SD 3.88Å
725	S	81.6	Confident	79.2	Confident	12 Å²	12	50.5 Å²	50.5	8%	0.084	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-35.4	178.5	78.7	0	0	0	0	112.7	M721 E722 M727 Y728 K782	M721-S725 VanDerWaalsContact O-CB 3.29Å; M721-S725 WeakPolarHBondContact O-CB 3.37Å; M721-S725 PolarHBondContact O-N 3.01Å; M721-S725 PolarHBondContact O-OG 3.46Å; E722-S725 PolarHBondContact O-N 2.9Å; E722-S725 PolarHBondContact O-OG 2.99Å; S725-M727 PolarHBondContact O-N 2.94Å; S725-Y728 VanDerWaalsContact O-CB 3.3Å; S725-Y728 WeakPolarHBondContact O-CB 3.46Å; S725-Y728 PolarHBondContact O-N 2.77Å; S725-K782 WeakPolarHBondContact OG-CD 3.43Å; S725-K782 PolarHBondContact OG-NZ 3.23Å
726	S	79.3	Confident	79.8	Confident	91 Å²	91	51.5 Å²	51.5	64%	0.636	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.9	177.2	63.9	0	0	0	0	113.8	E722 R723 L724	E722-S726 PolarHBondContact O-N 2.86Å; E722-S726 VanDerWaalsContact O-N 3.09Å; R723-S726 PolarHBondContact O-OG 2.87Å; R723-S726 VanDerWaalsContact O-OG 3.09Å; L724-S726 VanDerWaalsContact C-N 3.32Å; L724-S726 PolarHBondContact O-N 3.14Å
727	M	76.4	Confident	80.5	Confident	60 Å²	60	55.3 Å²	55.3	30%	0.296	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	4.2	173.4	-59.1	-169.4	-172.1	0	0	113.5	R723 L724 S725 V775 N1137	R723-M727 HydrophobicContact CG-CE 4.37Å; L724-M727 PolarHBondContact O-N 2.98Å; L724-M727 VanDerWaalsContact O-N 3.14Å; S725-M727 PolarHBondContact O-N 2.94Å; M727-V775 HydrophobicContact CB-CG1 4.46Å; M727-V775 HydrophobicContact CB-CG2 4.47Å; M727-N1137 PolarHBondContact SD-ND2 3.09Å
728	Y	82.9	Confident	80.6	Confident	47 Å²	47	55.3 Å²	55.3	18%	0.184	27%	0.272	C	S	.	.			trans	-79.7	126	179.7	-175.7	-90.8	0	0	0	111.9	S725 A730 R731 E732 L735 V775 L776 S779	S725-Y728 VanDerWaalsContact O-CB 3.3Å; S725-Y728 WeakPolarHBondContact O-CB 3.46Å; S725-Y728 PolarHBondContact O-N 2.77Å; Y728-A730 WeakPolarHBondContact CE2-O 3.43Å; Y728-A730 PolarHBondContact OH-O 3.29Å; Y728-A730 VanDerWaalsContact OH-O 3.08Å; Y728-R731 PolarHBondContact OH-O 3.43Å; Y728-E732 WeakPolarHBondContact OH-CA 3.25Å; Y728-E732 PolarHBondContact OH-N 2.84Å; Y728-L735 HydrophobicContact CE1-CD2 3.95Å; Y728-L735 HydrophobicContact CE2-CD2 4.32Å; Y728-L735 WeakPolarHBondContact OH-CB 3.35Å; Y728-V775 HydrophobicContact CD2-CG1 4.12Å; Y728-L776 HydrophobicContact CE2-CD1 4.34Å; Y728-S779 VanDerWaalsContact CD2-CB 3.42Å; Y728-S779 WeakPolarHBondContact CD2-OG 3.23Å
729	I	80.8	Confident	80.8	Confident	43 Å²	43	52.7 Å²	52.7	22%	0.221	26%	0.257	C	S	.	.			trans	-137	-22.4	-172.7	-62	165.2	0	0	0	113.1	K963 V967 W968	I729-K963 HydrophobicContact CG2-CB 4.29Å; I729-V967 HydrophobicContact CD1-CB 4.17Å; I729-V967 HydrophobicContact CD1-CG1 3.74Å; I729-V967 HydrophobicContact CG1-CG1 4.16Å; I729-V967 HydrophobicContact CG2-CB 4.13Å; I729-V967 HydrophobicContact CG2-CG2 3.9Å; I729-W968 HydrophobicContact CD1-CZ2 4.28Å
730	A	77.8	Confident	81.1	Confident	13 Å²	13	52.9 Å²	52.9	11%	0.107	26%	0.26	C	S	.	.	S	Bend	trans	-148.6	167.2	-162.6	0	0	0	0	0	111.5	Y728 L956 D960	Y728-A730 WeakPolarHBondContact CE2-O 3.43Å; Y728-A730 PolarHBondContact OH-O 3.29Å; Y728-A730 VanDerWaalsContact OH-O 3.08Å; A730-L956 HydrophobicContact CB-CD2 4.37Å; A730-D960 HydrophobicContact CB-CB 3.95Å
731	R	82.4	Confident	81.2	Confident	24 Å²	24	52.5 Å²	52.5	9%	0.091	26%	0.261	C	S	.	.			trans	66.6	40.6	-175.7	-58.6	-179.7	174.1	158.9	-1.4	114.5	Y728 E733 L734 L735 S771 L776 N954 E955 L956 D960	Y728-R731 PolarHBondContact OH-O 3.43Å; R731-E733 VanDerWaalsContact C-N 3.33Å; R731-E733 PolarHBondContact O-N 3.2Å; R731-L734 HydrophobicContact CB-CB 4.06Å; R731-L734 PolarHBondContact O-N 2.67Å; R731-L734 VanDerWaalsContact O-N 3.15Å; R731-L735 PolarHBondContact O-N 3.41Å; R731-S771 PolarHBondContact NH1-O 2.8Å; R731-L776 HydrophobicContact CB-CD1 4.44Å; R731-N954 PolarHBondContact NH2-O 3.34Å; R731-E955 PolarHBondContact NH2-O 2.98Å; R731-L956 HydrophobicContact CG-CD2 4.36Å; R731-D960 WeakPolarHBondContact CA-OD2 3.37Å; R731-D960 WeakPolarHBondContact CG-OD2 3.38Å; R731-D960 VanDerWaalsContact N-CG 3.34Å; R731-D960 PolarHBondContact N-OD1 3.07Å; R731-D960 PolarHBondContact N-OD2 2.84Å
732	E	81.2	Confident	81	Confident	106 Å²	106	52.1 Å²	52.1	50%	0.495	26%	0.259	S	S	.	.	H	α-helix	trans	-65.5	-36.1	-179.6	-168.5	157.9	-152.8	0	0	112.4	Y728 L734 L735 M736	Y728-E732 WeakPolarHBondContact OH-CA 3.25Å; Y728-E732 PolarHBondContact OH-N 2.84Å; E732-L734 VanDerWaalsContact C-N 3.29Å; E732-L734 PolarHBondContact O-N 2.97Å; E732-L735 PolarHBondContact O-N 3.41Å; E732-M736 WeakPolarHBondContact O-CB 3.41Å; E732-M736 VanDerWaalsContact O-CG 3.29Å; E732-M736 WeakPolarHBondContact O-CG 3.47Å; E732-M736 PolarHBondContact O-N 3.12Å
733	E	80.9	Confident	80.9	Confident	171 Å²	171	47.9 Å²	47.9	80%	0.799	24%	0.24	S	C	*	.	H	α-helix	trans	-58.3	-40.5	171.2	-63.5	179.4	-164.1	0	0	112.1	R731 M736 E737	R731-E733 VanDerWaalsContact C-N 3.33Å; R731-E733 PolarHBondContact O-N 3.2Å; E733-M736 PolarHBondContact O-N 2.82Å; E733-E737 WeakPolarHBondContact O-CB 3.39Å; E733-E737 PolarHBondContact O-N 3.06Å
734	L	84.1	Confident	80.8	Confident	38 Å²	38	50.5 Å²	50.5	20%	0.199	25%	0.253	C	S	.	.	H	α-helix	trans	-76.3	-34.8	-178.2	-132.2	171.9	0	0	0	112	R731 E732 E737 L738 I951 L953	R731-L734 HydrophobicContact CB-CB 4.06Å; R731-L734 PolarHBondContact O-N 2.67Å; R731-L734 VanDerWaalsContact O-N 3.15Å; E732-L734 VanDerWaalsContact C-N 3.29Å; E732-L734 PolarHBondContact O-N 2.97Å; L734-E737 PolarHBondContact O-N 3.01Å; L734-L738 PolarHBondContact O-N 3.22Å; L734-I951 HydrophobicContact CD2-CG2 4.02Å; L734-L953 HydrophobicContact CD1-CD2 3.7Å; L734-L953 HydrophobicContact CD2-CD2 4.49Å
735	L	84.9	Confident	80.5	Confident	3 Å²	3	51 Å²	51	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-64.1	-46.7	169.8	179.4	69.6	0	0	0	110.8	Y728 R731 E732 E737 L738 Y739 L780	Y728-L735 HydrophobicContact CE1-CD2 3.95Å; Y728-L735 HydrophobicContact CE2-CD2 4.32Å; Y728-L735 WeakPolarHBondContact OH-CB 3.35Å; R731-L735 PolarHBondContact O-N 3.41Å; E732-L735 PolarHBondContact O-N 3.41Å; L735-E737 VanDerWaalsContact C-N 3.34Å; L735-L738 WeakPolarHBondContact O-CB 3.48Å; L735-L738 PolarHBondContact O-N 3.44Å; L735-Y739 WeakPolarHBondContact O-CB 3.23Å; L735-Y739 PolarHBondContact O-N 3.23Å; L735-L780 HydrophobicContact CD1-CB 3.81Å; L735-L780 HydrophobicContact CD1-CD1 4.13Å
736	M	83.1	Confident	80	Confident	59 Å²	59	50.4 Å²	50.4	29%	0.291	25%	0.252	S	S	.	.	H	α-helix	trans	-65.7	-35	175.5	-71.5	-57.5	-65.2	0	0	111.9	E732 E733 Y739 N740 R783	E732-M736 WeakPolarHBondContact O-CB 3.41Å; E732-M736 VanDerWaalsContact O-CG 3.29Å; E732-M736 WeakPolarHBondContact O-CG 3.47Å; E732-M736 PolarHBondContact O-N 3.12Å; E733-M736 PolarHBondContact O-N 2.82Å; M736-Y739 HydrophobicContact CE-CD1 4.11Å; M736-Y739 PolarHBondContact O-N 3.04Å; M736-Y739 HydrophobicContact SD-CD1 4.21Å; M736-N740 WeakPolarHBondContact O-CB 3.18Å; M736-N740 PolarHBondContact O-N 2.72Å; M736-N740 PolarHBondContact O-ND2 2.85Å; M736-N740 VanDerWaalsContact O-ND2 3.15Å; M736-R783 VanDerWaalsContact SD-CZ 3.55Å; M736-R783 PolarHBondContact SD-NH1 3.21Å; M736-R783 VanDerWaalsContact SD-NH1 3.41Å
737	E	82.6	Confident	79.5	Confident	86 Å²	86	47.9 Å²	47.9	40%	0.402	23%	0.231	S	C	.	.	H	α-helix	trans	-64.8	-41.8	174.1	-161.9	-157.7	176.1	0	0	111.8	E733 L734 L735 S741 R949	E733-E737 WeakPolarHBondContact O-CB 3.39Å; E733-E737 PolarHBondContact O-N 3.06Å; L734-E737 PolarHBondContact O-N 3.01Å; L735-E737 VanDerWaalsContact C-N 3.34Å; E737-S741 WeakPolarHBondContact O-CB 3.35Å; E737-S741 PolarHBondContact O-N 3.23Å; E737-R949 IonicContact OE1-CZ 2.75Å; E737-R949 IonicContact OE1-NH1 2.67Å; E737-R949 PolarHBondContact OE1-NH1 3.45Å; E737-R949 IonicContact OE1-NH2 2.65Å; E737-R949 PolarHBondContact OE1-NH2 3.31Å
738	L	83.6	Confident	79.2	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-51.3	173.1	-94.8	162.3	0	0	0	111.5	L734 L735 S741 I742 I763 I765 L776 L780 I951	L734-L738 PolarHBondContact O-N 3.22Å; L735-L738 WeakPolarHBondContact O-CB 3.48Å; L735-L738 PolarHBondContact O-N 3.44Å; L738-S741 WeakPolarHBondContact O-CB 3.3Å; L738-S741 PolarHBondContact O-N 3.39Å; L738-S741 VanDerWaalsContact O-N 3.15Å; L738-I742 WeakPolarHBondContact O-CG1 3.41Å; L738-I742 PolarHBondContact O-N 2.9Å; L738-I763 HydrophobicContact CD2-CG2 4.17Å; L738-I765 HydrophobicContact CD1-CD1 4.12Å; L738-L776 HydrophobicContact CD1-CD2 3.61Å; L738-L776 HydrophobicContact CD1-CG 4.33Å; L738-L780 HydrophobicContact CB-CD1 4.32Å; L738-L780 HydrophobicContact CB-CD2 4.35Å; L738-L780 HydrophobicContact CD1-CD2 4.41Å; L738-L780 HydrophobicContact CD2-CD2 4.43Å; L738-I951 HydrophobicContact CD1-CD1 4.43Å; L738-I951 HydrophobicContact CD2-CD1 3.58Å; L738-I951 HydrophobicContact CG-CD1 3.87Å
739	Y	84.3	Confident	78.3	Confident	19 Å²	19	46.9 Å²	46.9	8%	0.075	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-47.9	179.3	-177.4	-120.4	0	0	0	112.1	L735 M736 S741 I742 I743 L784 E787	L735-Y739 WeakPolarHBondContact O-CB 3.23Å; L735-Y739 PolarHBondContact O-N 3.23Å; M736-Y739 HydrophobicContact CE-CD1 4.11Å; M736-Y739 PolarHBondContact O-N 3.04Å; M736-Y739 HydrophobicContact SD-CD1 4.21Å; Y739-S741 VanDerWaalsContact C-N 3.31Å; Y739-S741 PolarHBondContact O-N 2.96Å; Y739-I742 WeakPolarHBondContact O-CB 3.49Å; Y739-I742 PolarHBondContact O-N 3.18Å; Y739-I742 VanDerWaalsContact O-N 3.15Å; Y739-I743 HydrophobicContact CD1-CD1 3.83Å; Y739-I743 HydrophobicContact CD2-CD1 4.21Å; Y739-I743 HydrophobicContact CE1-CD1 3.57Å; Y739-I743 HydrophobicContact CE2-CD1 3.94Å; Y739-I743 HydrophobicContact CG-CD1 4.16Å; Y739-I743 WeakPolarHBondContact O-CG1 3.49Å; Y739-I743 PolarHBondContact O-N 2.96Å; Y739-L784 HydrophobicContact CD2-CD2 3.99Å; Y739-L784 HydrophobicContact CE2-CD2 4.07Å; Y739-E787 WeakPolarHBondContact CE1-OE2 3.29Å; Y739-E787 VanDerWaalsContact OH-CB 3.26Å; Y739-E787 WeakPolarHBondContact OH-CB 3.2Å; Y739-E787 PolarHBondContact OH-OE2 2.83Å
740	N	80.1	Confident	77.4	Confident	85 Å²	85	47.1 Å²	47.1	46%	0.455	23%	0.231	S	C	.	.	H	α-helix	trans	-64.8	-32.1	174.4	-69.4	-24.9	0	0	0	112.2	M736 K744	M736-N740 WeakPolarHBondContact O-CB 3.18Å; M736-N740 PolarHBondContact O-N 2.72Å; M736-N740 PolarHBondContact O-ND2 2.85Å; M736-N740 VanDerWaalsContact O-ND2 3.15Å; N740-K744 WeakPolarHBondContact O-CB 3.5Å; N740-K744 PolarHBondContact O-N 2.96Å
741	S	78.8	Confident	76.4	Confident	22 Å²	22	51.8 Å²	51.8	15%	0.154	25%	0.25	C	S	.	.	H	α-helix	trans	-72.3	-29	174.3	-163.8	0	0	0	0	112.7	E737 L738 Y739 H745 K761 R949	E737-S741 WeakPolarHBondContact O-CB 3.35Å; E737-S741 PolarHBondContact O-N 3.23Å; L738-S741 WeakPolarHBondContact O-CB 3.3Å; L738-S741 PolarHBondContact O-N 3.39Å; L738-S741 VanDerWaalsContact O-N 3.15Å; Y739-S741 VanDerWaalsContact C-N 3.31Å; Y739-S741 PolarHBondContact O-N 2.96Å; S741-H745 WeakPolarHBondContact O-CB 3.31Å; S741-H745 PolarHBondContact O-N 2.83Å; S741-K761 PolarHBondContact O-NZ 2.81Å; S741-K761 PolarHBondContact OG-NZ 3.22Å; S741-R949 PolarHBondContact OG-NH1 3.28Å
742	I	78.8	Confident	75.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69.6	-58.9	169.8	-71.6	165.2	0	0	0	108.6	L738 Y739 K744 H745 T746 L780 L784 M789 I863 I903 I905	L738-I742 WeakPolarHBondContact O-CG1 3.41Å; L738-I742 PolarHBondContact O-N 2.9Å; Y739-I742 WeakPolarHBondContact O-CB 3.49Å; Y739-I742 PolarHBondContact O-N 3.18Å; Y739-I742 VanDerWaalsContact O-N 3.15Å; I742-K744 PolarHBondContact O-N 3.24Å; I742-H745 WeakPolarHBondContact O-CA 3.41Å; I742-H745 WeakPolarHBondContact O-CB 3.29Å; I742-H745 PolarHBondContact O-N 3.05Å; I742-T746 PolarHBondContact O-N 2.8Å; I742-T746 PolarHBondContact O-OG1 3.44Å; I742-T746 VanDerWaalsContact O-OG1 3.11Å; I742-L780 HydrophobicContact CD1-CD1 4.27Å; I742-L780 HydrophobicContact CD1-CD2 4.21Å; I742-L784 HydrophobicContact CD1-CD1 4.23Å; I742-L784 HydrophobicContact CD1-CD2 4.48Å; I742-L784 HydrophobicContact CG2-CD2 4.39Å; I742-M789 HydrophobicContact CG2-CE 3.55Å; I742-I863 HydrophobicContact CG2-CD1 3.99Å; I742-I903 HydrophobicContact CB-CD1 4.34Å; I742-I903 HydrophobicContact CG1-CD1 4.22Å; I742-I903 HydrophobicContact CG2-CD1 3.8Å; I742-I905 HydrophobicContact CD1-CD1 4.13Å
743	I	76.6	Confident	73.5	Confident	29 Å²	29	58 Å²	58	15%	0.149	29%	0.289	C	S	.	.	H	α-helix	trans	-53.7	-48.8	-179.6	-70.6	167.7	0	0	0	111.9	Y739 H745 T746 I747 M789	Y739-I743 HydrophobicContact CD1-CD1 3.83Å; Y739-I743 HydrophobicContact CD2-CD1 4.21Å; Y739-I743 HydrophobicContact CE1-CD1 3.57Å; Y739-I743 HydrophobicContact CE2-CD1 3.94Å; Y739-I743 HydrophobicContact CG-CD1 4.16Å; Y739-I743 WeakPolarHBondContact O-CG1 3.49Å; Y739-I743 PolarHBondContact O-N 2.96Å; I743-H745 PolarHBondContact O-N 2.9Å; I743-T746 WeakPolarHBondContact O-CB 3.29Å; I743-T746 PolarHBondContact O-N 3.14Å; I743-T746 VanDerWaalsContact O-N 3.12Å; I743-I747 HydrophobicContact CG2-CD1 3.68Å; I743-I747 HydrophobicContact CG2-CG1 4.36Å; I743-I747 WeakPolarHBondContact O-CG1 3.26Å; I743-I747 PolarHBondContact O-N 2.82Å; I743-M789 HydrophobicContact CG1-CE 4.24Å; I743-M789 HydrophobicContact CG1-CG 4.17Å; I743-M789 HydrophobicContact CG1-SD 4.03Å
744	K	75	Confident	71.6	Confident	141 Å²	141	51.7 Å²	51.7	61%	0.613	27%	0.269	S	S	*	.	H	α-helix	trans	-63.3	-29.3	178.4	-174.3	171.3	-176.8	172.8	0	112.8	N740 I742 N748	N740-K744 WeakPolarHBondContact O-CB 3.5Å; N740-K744 PolarHBondContact O-N 2.96Å; I742-K744 PolarHBondContact O-N 3.24Å; K744-N748 VanDerWaalsContact O-CB 3.28Å; K744-N748 WeakPolarHBondContact O-CB 3.35Å; K744-N748 PolarHBondContact O-N 3.32Å; K744-N748 VanDerWaalsContact O-N 3.07Å; K744-N748 PolarHBondContact O-OD1 2.91Å; K744-N748 VanDerWaalsContact O-OD1 3.12Å
745	H	74.4	Confident	69.9	Low	21 Å²	21	56.9 Å²	56.9	10%	0.097	30%	0.303	C	S	.	.	H	α-helix	trans	-73.6	-42.2	172.7	-178.4	54.8	0	0	0	111.5	S741 I742 I743 N748 C749 N758 K761	S741-H745 WeakPolarHBondContact O-CB 3.31Å; S741-H745 PolarHBondContact O-N 2.83Å; I742-H745 WeakPolarHBondContact O-CA 3.41Å; I742-H745 WeakPolarHBondContact O-CB 3.29Å; I742-H745 PolarHBondContact O-N 3.05Å; I743-H745 PolarHBondContact O-N 2.9Å; H745-N748 PolarHBondContact O-N 2.91Å; H745-C749 PolarHBondContact CE1-SG 2.78Å; H745-C749 PolarHBondContact O-N 3.23Å; H745-C749 PolarHBondContact O-SG 2.77Å; H745-N758 PolarHBondContact CE1-O 3.39Å; H745-K761 HydrophobicContact CB-CD 3.86Å; H745-K761 VanDerWaalsContact NE2-CB 3.34Å; H745-K761 WeakPolarHBondContact NE2-CB 3.39Å
746	T	71.8	Confident	68.2	Low	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-58.2	-48.5	174.5	-45	0	0	0	0	111.3	I742 I743 C749 Q750 P861 P901	I742-T746 PolarHBondContact O-N 2.8Å; I742-T746 PolarHBondContact O-OG1 3.44Å; I742-T746 VanDerWaalsContact O-OG1 3.11Å; I743-T746 WeakPolarHBondContact O-CB 3.29Å; I743-T746 PolarHBondContact O-N 3.14Å; I743-T746 VanDerWaalsContact O-N 3.12Å; T746-C749 PolarHBondContact O-N 2.87Å; T746-Q750 WeakPolarHBondContact O-CG 3.29Å; T746-Q750 PolarHBondContact O-N 3.06Å; T746-P861 HydrophobicContact CG2-CB 4.4Å; T746-P861 HydrophobicContact CG2-CG 4.32Å; T746-P901 HydrophobicContact CG2-CG 4.19Å
747	I	69.7	Low	66.9	Low	38 Å²	38	66.2 Å²	66.2	20%	0.195	34%	0.342	C	S	.	.	H	α-helix	trans	-57.5	-52.5	174.5	-66.7	165	0	0	0	110.7	I743 C749 Q750 E751 V791	I743-I747 HydrophobicContact CG2-CD1 3.68Å; I743-I747 HydrophobicContact CG2-CG1 4.36Å; I743-I747 WeakPolarHBondContact O-CG1 3.26Å; I743-I747 PolarHBondContact O-N 2.82Å; I747-C749 PolarHBondContact O-N 2.75Å; I747-C749 VanDerWaalsContact O-N 3.1Å; I747-Q750 PolarHBondContact O-N 2.77Å; I747-E751 HydrophobicContact CG2-CG 4.15Å; I747-E751 WeakPolarHBondContact CG2-OE1 3.41Å; I747-E751 PolarHBondContact O-N 2.89Å; I747-V791 HydrophobicContact CG1-CG1 3.77Å
748	N	68.4	Low	65.8	Low	72 Å²	72	64.2 Å²	64.2	39%	0.385	33%	0.334	S	S	.	.	H	α-helix	trans	-59.1	-26	179.5	-77	17.4	0	0	0	113.2	K744 H745 N752	K744-N748 VanDerWaalsContact O-CB 3.28Å; K744-N748 WeakPolarHBondContact O-CB 3.35Å; K744-N748 PolarHBondContact O-N 3.32Å; K744-N748 VanDerWaalsContact O-N 3.07Å; K744-N748 PolarHBondContact O-OD1 2.91Å; K744-N748 VanDerWaalsContact O-OD1 3.12Å; H745-N748 PolarHBondContact O-N 2.91Å; N748-N752 PolarHBondContact O-ND2 3.28Å
749	C	65.2	Low	65.2	Low	14 Å²	14	66.9 Å²	66.9	10%	0.095	35%	0.345	C	S	.	.	H	α-helix	trans	-82.6	-18	175.9	-65.3	0	0	0	0	113.8	H745 T746 I747 Y759 P901	H745-C749 PolarHBondContact CE1-SG 2.78Å; H745-C749 PolarHBondContact O-N 3.23Å; H745-C749 PolarHBondContact O-SG 2.77Å; T746-C749 PolarHBondContact O-N 2.87Å; I747-C749 PolarHBondContact O-N 2.75Å; I747-C749 VanDerWaalsContact O-N 3.1Å; C749-Y759 HydrophobicContact CB-CD1 3.9Å; C749-Y759 HydrophobicContact CB-CE1 3.8Å; C749-Y759 WeakPolarHBondContact O-CE1 3.36Å; C749-Y759 PolarHBondContact O-OH 2.91Å; C749-P901 HydrophobicContact CB-CB 4.24Å; C749-P901 HydrophobicContact CB-CG 4.5Å
750	Q	61.2	Low	64.9	Low	47 Å²	47	66.4 Å²	66.4	22%	0.22	34%	0.343	C	S	.	.	H	α-helix	trans	-92.7	-33.2	176.3	-67.6	179.3	11.7	0	0	112.4	T746 I747 Q859	T746-Q750 WeakPolarHBondContact O-CG 3.29Å; T746-Q750 PolarHBondContact O-N 3.06Å; I747-Q750 PolarHBondContact O-N 2.77Å; Q750-Q859 PolarHBondContact NE2-O 2.68Å
751	E	57.3	Low	64.9	Low	111 Å²	111	63.1 Å²	63.1	52%	0.519	33%	0.325	S	S	.	.	H	α-helix	trans	-80.2	-22.6	-178	-66.8	-179.5	169.2	0	0	113.6	I747 N753 N792	I747-E751 HydrophobicContact CG2-CG 4.15Å; I747-E751 WeakPolarHBondContact CG2-OE1 3.41Å; I747-E751 PolarHBondContact O-N 2.89Å; E751-N753 PolarHBondContact O-N 3.3Å; E751-N753 VanDerWaalsContact O-N 3.16Å; E751-N792 PolarHBondContact OE1-ND2 2.86Å
752	N	54.2	Low	65	Low	94 Å²	94	62 Å²	62	50%	0.503	32%	0.318	S	S	.	.			trans	-89.2	73.5	-176.2	-79	-73.3	0	0	0	113.6	N748 G754	N748-N752 PolarHBondContact O-ND2 3.28Å; N752-G754 PolarHBondContact O-N 3.33Å
753	N	48.3	Very low	65.3	Low	167 Å²	167	62 Å²	62	89%	0.893	32%	0.318	S	S	*	.			trans	-65.9	7.9	171.2	-78.8	-37.5	0	0	0	114.9	E751	E751-N753 PolarHBondContact O-N 3.3Å; E751-N753 VanDerWaalsContact O-N 3.16Å
754	G	40.9	Very low	65.7	Low	38 Å²	38	60.7 Å²	60.7	39%	0.392	31%	0.311	S	S	.	.	S	Bend	trans	-131.6	122.5	-173	0	0	0	0	0	114.3	N752 N756	N752-G754 PolarHBondContact O-N 3.33Å; G754-N756 VanDerWaalsContact C-N 3.26Å; G754-N756 PolarHBondContact O-N 3.16Å
755	T	49.7	Very low	66.1	Low	148 Å²	148	54 Å²	54	91%	0.908	28%	0.282	S	S	*	.	S	Bend	trans	54.4	-27.7	160.8	65.3	0	0	0	0	121.1
756	N	48.8	Very low	66.4	Low	104 Å²	104	53.5 Å²	53.5	56%	0.556	28%	0.279	S	S	*	.			trans	-111.6	80.5	-174	-98.4	-54.9	0	0	0	113.4	G754 N758	G754-N756 VanDerWaalsContact C-N 3.26Å; G754-N756 PolarHBondContact O-N 3.16Å; N756-N758 PolarHBondContact O-N 3.49Å
757	R	55.7	Low	66.6	Low	153 Å²	153	53.6 Å²	53.6	58%	0.577	28%	0.28	S	S	*	.			trans	-71.4	59.3	177.9	-64.2	-174.5	176.2	171.5	-2.8	114.1	Y759	R757-Y759 VanDerWaalsContact C-N 3.28Å; R757-Y759 HydrophobicContact CB-CD2 3.97Å; R757-Y759 HydrophobicContact CB-CE2 3.98Å; R757-Y759 HydrophobicContact CG-CE2 4.12Å; R757-Y759 PolarHBondContact O-N 2.74Å; R757-Y759 VanDerWaalsContact O-N 3.09Å
758	N	59	Low	66.6	Low	44 Å²	44	55.2 Å²	55.2	24%	0.235	29%	0.287	C	S	.	.			trans	-84	60.9	176.3	-84.1	23.4	0	0	0	112.2	H745 N756 F760 K895	H745-N758 PolarHBondContact CE1-O 3.39Å; N756-N758 PolarHBondContact O-N 3.49Å; N758-F760 PolarHBondContact O-N 2.96Å; N758-K895 WeakPolarHBondContact OD1-CD 3.39Å; N758-K895 WeakPolarHBondContact OD1-CE 3.31Å; N758-K895 PolarHBondContact OD1-NZ 3.2Å
759	Y	71.4	Confident	66.8	Low	57 Å²	57	52.5 Å²	52.5	22%	0.224	27%	0.274	C	S	.	.			trans	-79.1	5.5	179.4	-70	-78.4	0	0	0	114.8	C749 R757 P901 V902	C749-Y759 HydrophobicContact CB-CD1 3.9Å; C749-Y759 HydrophobicContact CB-CE1 3.8Å; C749-Y759 WeakPolarHBondContact O-CE1 3.36Å; C749-Y759 PolarHBondContact O-OH 2.91Å; R757-Y759 VanDerWaalsContact C-N 3.28Å; R757-Y759 HydrophobicContact CB-CD2 3.97Å; R757-Y759 HydrophobicContact CB-CE2 3.98Å; R757-Y759 HydrophobicContact CG-CE2 4.12Å; R757-Y759 PolarHBondContact O-N 2.74Å; R757-Y759 VanDerWaalsContact O-N 3.09Å; Y759-P901 HydrophobicContact CD1-CB 4.35Å; Y759-P901 CarbonylContact O-C 3.59Å; Y759-P901 WeakPolarHBondContact O-CA 3.39Å; Y759-V902 PolarHBondContact O-N 2.83Å
760	F	77.9	Confident	67	Low	9 Å²	9	53 Å²	53	4%	0.039	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.1	-179.3	-178.3	-97.5	0	0	0	111.4	N758 F762 P888 W891 I892 L898 V902 F904	N758-F760 PolarHBondContact O-N 2.96Å; F760-F762 HydrophobicContact CE1-CB 4.29Å; F760-P888 HydrophobicContact CE2-CG 4.17Å; F760-P888 HydrophobicContact CZ-CG 4.17Å; F760-W891 HydrophobicContact CD1-CB 4.2Å; F760-W891 AromaticContact CD2-CE3 3.79Å; F760-W891 HydrophobicContact CD2-CE3 3.79Å; F760-W891 HydrophobicContact CD2-CZ3 4.48Å; F760-W891 HydrophobicContact CE1-CB 4.3Å; F760-W891 AromaticContact CE2-CE3 3.88Å; F760-W891 HydrophobicContact CE2-CE3 3.88Å; F760-W891 HydrophobicContact CG-CB 4.33Å; F760-I892 HydrophobicContact CD1-CG1 4.41Å; F760-I892 HydrophobicContact CE1-CG1 3.92Å; F760-L898 HydrophobicContact CB-CD1 4.23Å; F760-V902 WeakPolarHBondContact CA-O 3.36Å; F760-V902 HydrophobicContact CD2-CB 4.34Å; F760-V902 HydrophobicContact CD2-CG1 4.27Å; F760-F904 AromaticContact CE2-CD2 3.71Å; F760-F904 HydrophobicContact CE2-CD2 3.71Å; F760-F904 HydrophobicContact CE2-CE2 4.22Å; F760-F904 HydrophobicContact CZ-CD2 4.22Å
761	K	79.9	Confident	67.9	Low	16 Å²	16	50.8 Å²	50.8	7%	0.07	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	133.8	177.4	176.8	174.9	175.8	178.3	0	111.8	S741 H745 I763 V902 I903 F904	S741-K761 PolarHBondContact O-NZ 2.81Å; S741-K761 PolarHBondContact OG-NZ 3.22Å; H745-K761 HydrophobicContact CB-CD 3.86Å; H745-K761 VanDerWaalsContact NE2-CB 3.34Å; H745-K761 WeakPolarHBondContact NE2-CB 3.39Å; K761-I763 HydrophobicContact CG-CG1 4.33Å; K761-V902 PolarHBondContact N-O 2.83Å; K761-I903 WeakPolarHBondContact O-CA 3.38Å; K761-F904 PolarHBondContact O-N 3.44Å
762	F	81.7	Confident	68.8	Low	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.1	-179.2	-170	-87.4	0	0	0	110.6	F760 Q764 I887 F889 F904 I906 F922 T947 Y948 R949	F760-F762 HydrophobicContact CE1-CB 4.29Å; F762-Q764 HydrophobicContact CE1-CB 4.2Å; F762-I887 HydrophobicContact CE2-CG2 3.96Å; F762-F889 HydrophobicContact CE1-CE1 4.01Å; F762-F889 HydrophobicContact CE2-CD1 4.5Å; F762-F889 AromaticContact CE2-CE1 3.78Å; F762-F889 HydrophobicContact CE2-CE1 3.78Å; F762-F889 HydrophobicContact CE2-CZ 4.06Å; F762-F889 HydrophobicContact CZ-CD1 4.5Å; F762-F889 AromaticContact CZ-CE1 3.46Å; F762-F889 HydrophobicContact CZ-CE1 3.46Å; F762-F889 VanDerWaalsContact CZ-CE1 3.46Å; F762-F889 AromaticContact CZ-CZ 3.73Å; F762-F889 HydrophobicContact CZ-CZ 3.73Å; F762-F904 HydrophobicContact CD2-CB 3.91Å; F762-F904 HydrophobicContact CE2-CB 4.39Å; F762-I906 HydrophobicContact CE2-CD1 3.8Å; F762-I906 HydrophobicContact CE2-CG1 4.35Å; F762-I906 HydrophobicContact CZ-CD1 3.74Å; F762-I906 HydrophobicContact CZ-CG1 4.22Å; F762-F922 HydrophobicContact CZ-CE1 4.18Å; F762-T947 PolarHBondContact N-O 3.33Å; F762-Y948 AromaticContact CD1-CD2 3.67Å; F762-Y948 HydrophobicContact CD1-CD2 3.67Å; F762-Y948 AromaticContact CD1-CE2 3.79Å; F762-Y948 HydrophobicContact CD1-CE2 3.79Å; F762-Y948 HydrophobicContact CE1-CD2 4.36Å; F762-Y948 HydrophobicContact CE1-CE2 4.05Å; F762-Y948 HydrophobicContact CG-CD2 4.49Å; F762-Y948 WeakPolarHBondContact O-CA 3.24Å; F762-R949 PolarHBondContact O-N 2.77Å
763	I	85.1	Confident	70.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.5	-178.7	-53	-179.5	0	0	0	109.4	L738 K761 I903 F904 I905 I906 R949 I951	L738-I763 HydrophobicContact CD2-CG2 4.17Å; K761-I763 HydrophobicContact CG-CG1 4.33Å; I763-I903 HydrophobicContact CD1-CG2 4.02Å; I763-I903 HydrophobicContact CG1-CG2 4.46Å; I763-F904 PolarHBondContact N-O 3.13Å; I763-I905 HydrophobicContact CB-CG1 4.3Å; I763-I905 HydrophobicContact CB-CG2 4.26Å; I763-I905 HydrophobicContact CD1-CD1 4.42Å; I763-I905 HydrophobicContact CD1-CG1 4.35Å; I763-I905 HydrophobicContact CG2-CG2 4.33Å; I763-I905 WeakPolarHBondContact O-CA 3.34Å; I763-I906 PolarHBondContact O-N 2.74Å; I763-R949 CarbonylContact C-O 3.58Å; I763-R949 VanDerWaalsContact CA-O 3.32Å; I763-R949 WeakPolarHBondContact CA-O 3.26Å; I763-I951 HydrophobicContact CG2-CD1 4.09Å
764	Q	83.6	Confident	72.1	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.6	173.6	-168.5	177.8	15.1	0	0	110.8	F762 K766 T908 Y948 R949 Q950 I951	F762-Q764 HydrophobicContact CE1-CB 4.2Å; Q764-K766 HydrophobicContact CG-CG 4.26Å; Q764-K766 VanDerWaalsContact OE1-CE 3.23Å; Q764-T908 PolarHBondContact NE2-OG1 2.92Å; Q764-Y948 PolarHBondContact OE1-OH 2.79Å; Q764-R949 PolarHBondContact N-O 2.86Å; Q764-Q950 WeakPolarHBondContact O-CA 3.4Å; Q764-I951 PolarHBondContact O-N 3.5Å
765	I	85.2	Confident	74.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	112.9	173.2	-57	-171.4	0	0	0	108.9	L738 L776 L777 I905 I906 S907 T908 L953	L738-I765 HydrophobicContact CD1-CD1 4.12Å; I765-L776 HydrophobicContact CD1-CD2 4.13Å; I765-L777 HydrophobicContact CD1-CD2 3.64Å; I765-L777 HydrophobicContact CD1-CG 4.12Å; I765-I905 HydrophobicContact CD1-CG2 4.22Å; I765-I905 HydrophobicContact CG1-CG2 4.43Å; I765-I906 PolarHBondContact N-O 3.03Å; I765-S907 CarbonylContact O-C 3.56Å; I765-S907 WeakPolarHBondContact O-CA 3.45Å; I765-T908 PolarHBondContact O-N 3.46Å; I765-T908 PolarHBondContact O-OG1 3.22Å; I765-L953 HydrophobicContact CG2-CD1 3.4Å; I765-L953 VanDerWaalsContact CG2-CD1 3.4Å; I765-L953 HydrophobicContact CG2-CG 4.01Å
766	K	80.1	Confident	76	Confident	10 Å²	10	29.5 Å²	29.5	4%	0.043	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	150.2	175.6	-73.9	-178.2	-178.7	166.5	0	111.1	Q764 T908 Q950 I951 L952 L953	Q764-K766 HydrophobicContact CG-CG 4.26Å; Q764-K766 VanDerWaalsContact OE1-CE 3.23Å; K766-T908 WeakPolarHBondContact CG-OG1 3.4Å; K766-Q950 HydrophobicContact CD-CG 4.17Å; K766-I951 PolarHBondContact N-O 3.08Å; K766-L952 HydrophobicContact CB-CD1 4.03Å; K766-L953 PolarHBondContact O-N 2.86Å
767	G	74.7	Confident	77.9	Confident	2 Å²	2	24.6 Å²	24.6	2%	0.021	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.9	168.3	171.5	0	0	0	0	0	110	K773 T908 I909 N910	G767-K773 PolarHBondContact O-NZ 2.85Å; G767-T908 PolarHBondContact N-O 3.36Å; G767-I909 WeakPolarHBondContact O-CA 3.39Å; G767-N910 PolarHBondContact O-N 2.92Å; G767-N910 VanDerWaalsContact O-N 3.07Å
768	E	71.6	Confident	79.3	Confident	72 Å²	72	17.3 Å²	17.3	34%	0.336	10%	0.101	S	C	.	.			trans	-62.9	166.8	177.4	-74.9	176.2	-140.6	0	0	113.1	S771 K773 Q993 N1023	E768-S771 WeakPolarHBondContact O-CB 3.42Å; E768-S771 PolarHBondContact O-N 2.89Å; E768-S771 PolarHBondContact O-OG 2.86Å; E768-S771 VanDerWaalsContact O-OG 3.11Å; E768-K773 PolarHBondContact O-NZ 3.34Å; E768-Q993 PolarHBondContact OE1-NE2 3.3Å; E768-Q993 PolarHBondContact OE2-NE2 2.92Å; E768-N1023 PolarHBondContact OE2-ND2 3.02Å
769	S	70.8	Confident	80.7	Confident	16 Å²	16	16 Å²	16	11%	0.112	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	128.8	170.4	176.6	0	0	0	0	109.1
770	G	70.8	Confident	81.4	Confident	24 Å²	24	13.2 Å²	13.2	25%	0.247	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	-4.3	-169.7	0	0	0	0	0	115.3	G772 L995	G770-G772 PolarHBondContact O-N 3.43Å; G770-G772 VanDerWaalsContact O-N 3.15Å; G770-L995 PolarHBondContact O-N 3.36Å
771	S	78.7	Confident	81.8	Confident	1 Å²	1	12.8 Å²	12.8	1%	0.007	8%	0.083	C	C	.	.	S	Bend	trans	-73.4	-0.4	-178.5	80.6	0	0	0	0	115.6	R731 E768 K773	R731-S771 PolarHBondContact NH1-O 2.8Å; E768-S771 WeakPolarHBondContact O-CB 3.42Å; E768-S771 PolarHBondContact O-N 2.89Å; E768-S771 PolarHBondContact O-OG 2.86Å; E768-S771 VanDerWaalsContact O-OG 3.11Å; S771-K773 WeakPolarHBondContact OG-CG 3.28Å
772	G	78.1	Confident	82.1	Confident	24 Å²	24	16.9 Å²	16.9	25%	0.247	10%	0.1	C	C	.	.	S	Bend	trans	94.6	6.9	177.2	0	0	0	0	0	116.4	G770 S774 V775 L776	G770-G772 PolarHBondContact O-N 3.43Å; G770-G772 VanDerWaalsContact O-N 3.15Å; G772-S774 PolarHBondContact O-N 2.91Å; G772-V775 PolarHBondContact O-N 3.28Å; G772-L776 PolarHBondContact O-N 3.25Å
773	K	85.6	Confident	82.2	Confident	14 Å²	14	19.5 Å²	19.5	6%	0.061	11%	0.11	C	C	.	.	H	α-helix	trans	-46.3	-54.5	-175.3	-50.2	-161.6	-76.4	-88.5	0	114.1	G767 E768 S771 L776 L777 T908 L953	G767-K773 PolarHBondContact O-NZ 2.85Å; E768-K773 PolarHBondContact O-NZ 3.34Å; S771-K773 WeakPolarHBondContact OG-CG 3.28Å; K773-L776 WeakPolarHBondContact O-CB 3.48Å; K773-L776 PolarHBondContact O-N 3.17Å; K773-L777 PolarHBondContact O-N 3.49Å; K773-T908 WeakPolarHBondContact CD-O 3.35Å; K773-T908 WeakPolarHBondContact CE-O 3.48Å; K773-T908 PolarHBondContact NZ-O 3.44Å; K773-L953 HydrophobicContact CB-CD1 4.29Å; K773-L953 HydrophobicContact CG-CD1 3.9Å
774	S	84.5	Confident	82.1	Confident	37 Å²	37	19.5 Å²	19.5	26%	0.259	11%	0.11	S	C	.	.	H	α-helix	trans	-71	-31.5	-175	-49.5	0	0	0	0	113.4	G772 L777 A778 D867	G772-S774 PolarHBondContact O-N 2.91Å; S774-L777 PolarHBondContact O-N 3.18Å; S774-A778 VanDerWaalsContact O-CB 3.26Å; S774-A778 WeakPolarHBondContact O-CB 3.31Å; S774-A778 PolarHBondContact O-N 3.4Å; S774-D867 WeakPolarHBondContact CA-OD2 3.13Å; S774-D867 WeakPolarHBondContact CB-OD2 3.5Å; S774-D867 PolarHBondContact OG-OD1 2.8Å; S774-D867 PolarHBondContact OG-OD2 2.82Å; S774-D867 VanDerWaalsContact OG-OD2 3.06Å
775	V	85.5	Confident	81.8	Confident	30 Å²	30	24 Å²	24	18%	0.182	13%	0.133	C	C	.	.	H	α-helix	trans	-69.8	-38.5	174.8	175.8	0	0	0	0	110.7	L724 M727 Y728 G772 S779	L724-V775 HydrophobicContact CD2-CG2 4Å; M727-V775 HydrophobicContact CB-CG1 4.46Å; M727-V775 HydrophobicContact CB-CG2 4.47Å; Y728-V775 HydrophobicContact CD2-CG1 4.12Å; G772-V775 PolarHBondContact O-N 3.28Å; V775-S779 VanDerWaalsContact O-CB 3.24Å; V775-S779 WeakPolarHBondContact O-CB 3.48Å; V775-S779 PolarHBondContact O-N 2.96Å
776	L	87.1	Confident	81.3	Confident	6 Å²	6	27.9 Å²	27.9	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-64.3	-44.5	171.8	-171.5	93.7	0	0	0	111.4	Y728 R731 L738 I765 G772 K773 L780 L953	Y728-L776 HydrophobicContact CE2-CD1 4.34Å; R731-L776 HydrophobicContact CB-CD1 4.44Å; L738-L776 HydrophobicContact CD1-CD2 3.61Å; L738-L776 HydrophobicContact CD1-CG 4.33Å; I765-L776 HydrophobicContact CD1-CD2 4.13Å; G772-L776 PolarHBondContact O-N 3.25Å; K773-L776 WeakPolarHBondContact O-CB 3.48Å; K773-L776 PolarHBondContact O-N 3.17Å; L776-L780 WeakPolarHBondContact O-CB 3.37Å; L776-L780 PolarHBondContact O-N 2.89Å; L776-L953 HydrophobicContact CD2-CD1 4.18Å; L776-L953 HydrophobicContact CD2-CD2 4.17Å
777	L	88.2	Confident	80.6	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68.3	-41.3	179.2	-77.9	-179.3	0	0	0	113.4	I765 K773 S774 L780 A781 Y802 I865 D867 I905	I765-L777 HydrophobicContact CD1-CD2 3.64Å; I765-L777 HydrophobicContact CD1-CG 4.12Å; K773-L777 PolarHBondContact O-N 3.49Å; S774-L777 PolarHBondContact O-N 3.18Å; L777-L780 HydrophobicContact CD2-CD2 4.42Å; L777-L780 PolarHBondContact O-N 3.5Å; L777-A781 WeakPolarHBondContact O-CB 3.47Å; L777-A781 PolarHBondContact O-N 3.19Å; L777-Y802 HydrophobicContact CB-CE2 4.43Å; L777-I865 HydrophobicContact CB-CG2 4.34Å; L777-I865 HydrophobicContact CD1-CG2 3.99Å; L777-I865 HydrophobicContact CD2-CG2 3.95Å; L777-I865 HydrophobicContact CG-CG2 4.33Å; L777-D867 HydrophobicContact CD1-CB 4.08Å; L777-I905 HydrophobicContact CD2-CG2 3.67Å
778	A	86.5	Confident	80	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.5	-37.5	176.2	0	0	0	0	0	112.2	M721 L724 S774 A781 K782	M721-A778 HydrophobicContact CG-CB 4.18Å; L724-A778 HydrophobicContact CB-CB 3.44Å; L724-A778 VanDerWaalsContact CB-CB 3.44Å; L724-A778 HydrophobicContact CD1-CB 4.33Å; S774-A778 VanDerWaalsContact O-CB 3.26Å; S774-A778 WeakPolarHBondContact O-CB 3.31Å; S774-A778 PolarHBondContact O-N 3.4Å; A778-A781 PolarHBondContact O-N 3.49Å; A778-K782 WeakPolarHBondContact O-CB 3.46Å; A778-K782 PolarHBondContact O-N 2.8Å
779	S	87.1	Confident	79.6	Confident	16 Å²	16	29.3 Å²	29.3	11%	0.112	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-44.2	171	-173.1	0	0	0	0	111.5	Y728 V775 K782 R783	Y728-S779 VanDerWaalsContact CD2-CB 3.42Å; Y728-S779 WeakPolarHBondContact CD2-OG 3.23Å; V775-S779 VanDerWaalsContact O-CB 3.24Å; V775-S779 WeakPolarHBondContact O-CB 3.48Å; V775-S779 PolarHBondContact O-N 2.96Å; S779-K782 PolarHBondContact O-N 3.45Å; S779-R783 VanDerWaalsContact O-CB 3.32Å; S779-R783 WeakPolarHBondContact O-CB 3.31Å; S779-R783 PolarHBondContact O-N 3.44Å
780	L	87.8	Confident	78.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-46	174.6	-177.9	66	0	0	0	112.1	L735 L738 I742 L776 L777 R783 L784 I905	L735-L780 HydrophobicContact CD1-CB 3.81Å; L735-L780 HydrophobicContact CD1-CD1 4.13Å; L738-L780 HydrophobicContact CB-CD1 4.32Å; L738-L780 HydrophobicContact CB-CD2 4.35Å; L738-L780 HydrophobicContact CD1-CD2 4.41Å; L738-L780 HydrophobicContact CD2-CD2 4.43Å; I742-L780 HydrophobicContact CD1-CD1 4.27Å; I742-L780 HydrophobicContact CD1-CD2 4.21Å; L776-L780 WeakPolarHBondContact O-CB 3.37Å; L776-L780 PolarHBondContact O-N 2.89Å; L777-L780 HydrophobicContact CD2-CD2 4.42Å; L777-L780 PolarHBondContact O-N 3.5Å; L780-R783 PolarHBondContact O-N 3.45Å; L780-L784 HydrophobicContact CD1-CD1 4.2Å; L780-L784 HydrophobicContact CD1-CG 4.36Å; L780-L784 HydrophobicContact CG-CD1 3.91Å; L780-L784 HydrophobicContact CG-CG 4.48Å; L780-L784 WeakPolarHBondContact O-CB 3.26Å; L780-L784 WeakPolarHBondContact O-CD1 3.19Å; L780-L784 WeakPolarHBondContact O-CG 3.18Å; L780-L784 PolarHBondContact O-N 2.84Å; L780-I905 HydrophobicContact CD2-CD1 4Å
781	A	86.4	Confident	78.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-47.7	178.7	0	0	0	0	0	111.5	M721 L777 A778 R783 L784 L785 V800 Y802 I865	M721-A781 HydrophobicContact CG-CB 4.19Å; M721-A781 HydrophobicContact SD-CB 3.63Å; L777-A781 WeakPolarHBondContact O-CB 3.47Å; L777-A781 PolarHBondContact O-N 3.19Å; A778-A781 PolarHBondContact O-N 3.49Å; A781-R783 VanDerWaalsContact C-N 3.35Å; A781-R783 PolarHBondContact O-N 2.86Å; A781-L784 PolarHBondContact O-N 3.3Å; A781-L785 WeakPolarHBondContact O-CB 3.46Å; A781-L785 WeakPolarHBondContact O-CG 3.36Å; A781-L785 PolarHBondContact O-N 2.86Å; A781-V800 HydrophobicContact CB-CG1 4.43Å; A781-Y802 HydrophobicContact CB-CD2 4.15Å; A781-Y802 HydrophobicContact CB-CG 4.42Å; A781-I865 HydrophobicContact CB-CD1 3.94Å
782	K	85	Confident	76.6	Confident	101 Å²	101	40.2 Å²	40.2	44%	0.439	22%	0.22	S	C	.	.	H	α-helix	trans	-61.3	-40.8	175	-176.1	169.7	-178.3	173	0	112.3	S725 A778 S779 L785 A786	S725-K782 WeakPolarHBondContact OG-CD 3.43Å; S725-K782 PolarHBondContact OG-NZ 3.23Å; A778-K782 WeakPolarHBondContact O-CB 3.46Å; A778-K782 PolarHBondContact O-N 2.8Å; S779-K782 PolarHBondContact O-N 3.45Å; K782-L785 PolarHBondContact O-N 3.2Å; K782-A786 VanDerWaalsContact O-CB 3.31Å; K782-A786 WeakPolarHBondContact O-CB 3.41Å; K782-A786 PolarHBondContact O-N 3.41Å
783	R	83.7	Confident	75.2	Confident	55 Å²	55	46.7 Å²	46.7	21%	0.208	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-44.3	176.4	-166.7	174	-164.8	130.1	19.3	111.6	M736 S779 L780 A781 L785 A786 E787	M736-R783 VanDerWaalsContact SD-CZ 3.55Å; M736-R783 PolarHBondContact SD-NH1 3.21Å; M736-R783 VanDerWaalsContact SD-NH1 3.41Å; S779-R783 VanDerWaalsContact O-CB 3.32Å; S779-R783 WeakPolarHBondContact O-CB 3.31Å; S779-R783 PolarHBondContact O-N 3.44Å; L780-R783 PolarHBondContact O-N 3.45Å; A781-R783 VanDerWaalsContact C-N 3.35Å; A781-R783 PolarHBondContact O-N 2.86Å; R783-L785 VanDerWaalsContact C-N 3.3Å; R783-L785 PolarHBondContact O-N 2.9Å; R783-A786 PolarHBondContact O-N 3.39Å; R783-E787 HydrophobicContact CG-CG 4.07Å; R783-E787 IonicContact CZ-OE1 3.15Å; R783-E787 VanDerWaalsContact CZ-OE1 3.23Å; R783-E787 IonicContact CZ-OE2 3.62Å; R783-E787 IonicContact NE-OE1 3.32Å; R783-E787 PolarHBondContact NE-OE1 3.21Å; R783-E787 IonicContact NE-OE2 3.14Å; R783-E787 PolarHBondContact NE-OE2 3.41Å; R783-E787 IonicContact NH2-OE1 3.51Å; R783-E787 PolarHBondContact NH2-OE1 3.34Å; R783-E787 IonicContact NH2-OE2 3.5Å; R783-E787 WeakPolarHBondContact O-CB 3.36Å; R783-E787 PolarHBondContact O-N 2.98Å
784	L	82.9	Confident	73.5	Confident	1 Å²	1	47 Å²	47	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-32.2	175.9	-69.6	165.1	0	0	0	112.9	Y739 I742 L780 A781 M789 P798 V800 I863	Y739-L784 HydrophobicContact CD2-CD2 3.99Å; Y739-L784 HydrophobicContact CE2-CD2 4.07Å; I742-L784 HydrophobicContact CD1-CD1 4.23Å; I742-L784 HydrophobicContact CD1-CD2 4.48Å; I742-L784 HydrophobicContact CG2-CD2 4.39Å; L780-L784 HydrophobicContact CD1-CD1 4.2Å; L780-L784 HydrophobicContact CD1-CG 4.36Å; L780-L784 HydrophobicContact CG-CD1 3.91Å; L780-L784 HydrophobicContact CG-CG 4.48Å; L780-L784 WeakPolarHBondContact O-CB 3.26Å; L780-L784 WeakPolarHBondContact O-CD1 3.19Å; L780-L784 WeakPolarHBondContact O-CG 3.18Å; L780-L784 PolarHBondContact O-N 2.84Å; A781-L784 PolarHBondContact O-N 3.3Å; L784-M789 HydrophobicContact CD2-CE 3.31Å; L784-P798 HydrophobicContact CB-CG 4.14Å; L784-P798 HydrophobicContact CD2-CG 4.35Å; L784-P798 WeakPolarHBondContact O-CD 3.32Å; L784-P798 WeakPolarHBondContact O-CG 3.3Å; L784-V800 HydrophobicContact CB-CG2 3.68Å; L784-V800 HydrophobicContact CD1-CG2 4.36Å; L784-I863 HydrophobicContact CD1-CD1 3.88Å; L784-I863 HydrophobicContact CD1-CG2 4.37Å; L784-I863 HydrophobicContact CD2-CD1 3.95Å; L784-I863 HydrophobicContact CG-CD1 4.48Å
785	L	78.6	Confident	72.1	Confident	94 Å²	94	51.3 Å²	51.3	49%	0.492	28%	0.278	S	S	.	.	H	α-helix	trans	-79.1	-21.8	176.5	-72.6	167.8	0	0	0	113.8	M721 A781 K782 R783 V800	M721-L785 HydrophobicContact CE-CD1 3.85Å; M721-L785 HydrophobicContact SD-CD1 3.96Å; A781-L785 WeakPolarHBondContact O-CB 3.46Å; A781-L785 WeakPolarHBondContact O-CG 3.36Å; A781-L785 PolarHBondContact O-N 2.86Å; K782-L785 PolarHBondContact O-N 3.2Å; R783-L785 VanDerWaalsContact C-N 3.3Å; R783-L785 PolarHBondContact O-N 2.9Å; L785-V800 HydrophobicContact CD2-CB 4.04Å; L785-V800 HydrophobicContact CD2-CG2 4.25Å; L785-V800 HydrophobicContact CG-CB 4.22Å; L785-V800 HydrophobicContact CG-CG2 4.3Å
786	A	73.8	Confident	70.8	Confident	82 Å²	82	50.2 Å²	50.2	68%	0.678	27%	0.271	S	S	*	.	H	α-helix	trans	-104.6	-34.6	-176.7	0	0	0	0	0	114.1	K782 R783	K782-A786 VanDerWaalsContact O-CB 3.31Å; K782-A786 WeakPolarHBondContact O-CB 3.41Å; K782-A786 PolarHBondContact O-N 3.41Å; R783-A786 PolarHBondContact O-N 3.39Å
787	E	66.1	Low	69.8	Low	68 Å²	68	54.8 Å²	54.8	32%	0.318	30%	0.296	S	S	.	.	S	Bend	trans	-97.1	110.6	178.2	-64.8	-175	174.8	0	0	110.9	Y739 R783 M789	Y739-E787 WeakPolarHBondContact CE1-OE2 3.29Å; Y739-E787 VanDerWaalsContact OH-CB 3.26Å; Y739-E787 WeakPolarHBondContact OH-CB 3.2Å; Y739-E787 PolarHBondContact OH-OE2 2.83Å; R783-E787 HydrophobicContact CG-CG 4.07Å; R783-E787 IonicContact CZ-OE1 3.15Å; R783-E787 VanDerWaalsContact CZ-OE1 3.23Å; R783-E787 IonicContact CZ-OE2 3.62Å; R783-E787 IonicContact NE-OE1 3.32Å; R783-E787 PolarHBondContact NE-OE1 3.21Å; R783-E787 IonicContact NE-OE2 3.14Å; R783-E787 PolarHBondContact NE-OE2 3.41Å; R783-E787 IonicContact NH2-OE1 3.51Å; R783-E787 PolarHBondContact NH2-OE1 3.34Å; R783-E787 IonicContact NH2-OE2 3.5Å; R783-E787 WeakPolarHBondContact O-CB 3.36Å; R783-E787 PolarHBondContact O-N 2.98Å; E787-M789 PolarHBondContact O-N 2.76Å
788	S	61.2	Low	69.2	Low	46 Å²	46	55.3 Å²	55.3	32%	0.322	30%	0.299	S	S	.	.			trans	-64.2	127.5	170.4	63.5	0	0	0	0	110.9	K790 N797	S788-K790 PolarHBondContact O-N 3.39Å; S788-N797 WeakPolarHBondContact CB-OD1 3.35Å
789	M	63.7	Low	68.8	Low	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	120.1	175.6	-65	-176	-177.2	0	0	110.3	I742 I743 L784 E787 V791 V796 P798 P861 I863	I742-M789 HydrophobicContact CG2-CE 3.55Å; I743-M789 HydrophobicContact CG1-CE 4.24Å; I743-M789 HydrophobicContact CG1-CG 4.17Å; I743-M789 HydrophobicContact CG1-SD 4.03Å; L784-M789 HydrophobicContact CD2-CE 3.31Å; E787-M789 PolarHBondContact O-N 2.76Å; M789-V791 HydrophobicContact CB-CG2 3.81Å; M789-V791 PolarHBondContact O-N 2.88Å; M789-V796 HydrophobicContact CB-CB 4.43Å; M789-V796 PolarHBondContact N-O 3.1Å; M789-V796 PolarHBondContact O-N 2.88Å; M789-P798 HydrophobicContact CE-CB 4.12Å; M789-P798 HydrophobicContact CE-CG 4.1Å; M789-P861 HydrophobicContact SD-CG 4.22Å; M789-I863 HydrophobicContact CE-CD1 4.38Å
790	K	55.8	Low	68.5	Low	173 Å²	173	57.7 Å²	57.7	75%	0.752	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	110.9	166.3	-69.6	-178	178.5	178.4	0	108.5	S788	S788-K790 PolarHBondContact O-N 3.39Å
791	V	53.2	Low	68.4	Low	1 Å²	1	58 Å²	58	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	110.4	-178.5	-158	0	0	0	0	109	I747 M789 T793 S794 V796	I747-V791 HydrophobicContact CG1-CG1 3.77Å; M789-V791 HydrophobicContact CB-CG2 3.81Å; M789-V791 PolarHBondContact O-N 2.88Å; V791-T793 PolarHBondContact O-N 2.84Å; V791-S794 PolarHBondContact N-O 3.06Å; V791-S794 PolarHBondContact O-N 2.99Å; V791-S794 PolarHBondContact O-OG 3.45Å; V791-V796 HydrophobicContact CB-CG2 4.44Å; V791-V796 HydrophobicContact CG2-CB 4.35Å; V791-V796 HydrophobicContact CG2-CG2 4.13Å
792	N	47.8	Very low	68.5	Low	95 Å²	95	58.6 Å²	58.6	51%	0.508	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	33.4	71	176.3	-67.5	-1.8	0	0	0	114	E751 S794	E751-N792 PolarHBondContact OE1-ND2 2.86Å; N792-S794 VanDerWaalsContact C-N 3.29Å; N792-S794 PolarHBondContact O-N 3.01Å
793	T	48.4	Very low	68.6	Low	161 Å²	161	53.9 Å²	53.9	99%	0.988	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	-10.4	-175.6	77.8	0	0	0	0	118.4	V791	V791-T793 PolarHBondContact O-N 2.84Å
794	S	49.6	Very low	68.6	Low	21 Å²	21	51.7 Å²	51.7	15%	0.147	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	151.1	174.8	69.2	0	0	0	0	113.5	V791 N792	V791-S794 PolarHBondContact N-O 3.06Å; V791-S794 PolarHBondContact O-N 2.99Å; V791-S794 PolarHBondContact O-OG 3.45Å; N792-S794 VanDerWaalsContact C-N 3.29Å; N792-S794 PolarHBondContact O-N 3.01Å
795	I	54.9	Low	68.5	Low	126 Å²	126	51.7 Å²	51.7	65%	0.646	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	118.3	171	-60.8	179.5	0	0	0	107.7
796	V	59.2	Low	68.1	Low	7 Å²	7	47.2 Å²	47.2	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.9	-171.7	-178.5	0	0	0	0	110.7	M789 V791 Q859 Q860	M789-V796 HydrophobicContact CB-CB 4.43Å; M789-V796 PolarHBondContact N-O 3.1Å; M789-V796 PolarHBondContact O-N 2.88Å; V791-V796 HydrophobicContact CB-CG2 4.44Å; V791-V796 HydrophobicContact CG2-CB 4.35Å; V791-V796 HydrophobicContact CG2-CG2 4.13Å; V796-Q859 WeakPolarHBondContact CG1-O 3.38Å; V796-Q859 HydrophobicContact CG2-CB 4.07Å; V796-Q860 HydrophobicContact CG1-CB 4.37Å
797	N	66.7	Low	68.1	Low	103 Å²	103	43.6 Å²	43.6	55%	0.551	23%	0.23	S	C	*	.			trans	-91.8	114	173	-66.9	-17.1	0	0	0	109.6	S788 Q860	S788-N797 WeakPolarHBondContact CB-OD1 3.35Å; N797-Q860 WeakPolarHBondContact O-CG 3.38Å; N797-Q860 PolarHBondContact O-NE2 2.96Å
798	P	75.2	Confident	68.4	Low	10 Å²	10	40.4 Å²	40.4	7%	0.065	22%	0.215	C	C	.	.			trans	-67.9	144.2	-178.3	31.6	-38	0	0	0	111.4	L784 M789 V800 P861 I863	L784-P798 HydrophobicContact CB-CG 4.14Å; L784-P798 HydrophobicContact CD2-CG 4.35Å; L784-P798 WeakPolarHBondContact O-CD 3.32Å; L784-P798 WeakPolarHBondContact O-CG 3.3Å; M789-P798 HydrophobicContact CE-CB 4.12Å; M789-P798 HydrophobicContact CE-CG 4.1Å; P798-V800 HydrophobicContact CB-CG2 4.4Å; P798-V800 HydrophobicContact CG-CG2 4.28Å; P798-V800 PolarHBondContact O-N 3.4Å; P798-P861 HydrophobicContact CB-CG 3.76Å; P798-I863 HydrophobicContact CB-CD1 3.96Å
799	R	77.4	Confident	68.6	Low	45 Å²	45	38.8 Å²	38.8	17%	0.17	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	103.4	174.6	-169.1	172.7	-179.4	-173.2	-3.4	109	P861 L862 I863	R799-P861 PolarHBondContact N-O 2.62Å; R799-L862 HydrophobicContact CB-CD1 4.25Å; R799-L862 HydrophobicContact CG-CD1 4.2Å; R799-I863 PolarHBondContact O-N 3.37Å
800	V	81.5	Confident	68.9	Low	22 Å²	22	40.5 Å²	40.5	13%	0.133	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	128	-176.3	-171.7	0	0	0	0	110.9	A781 L784 L785 P798 I863 I865	A781-V800 HydrophobicContact CB-CG1 4.43Å; L784-V800 HydrophobicContact CB-CG2 3.68Å; L784-V800 HydrophobicContact CD1-CG2 4.36Å; L785-V800 HydrophobicContact CD2-CB 4.04Å; L785-V800 HydrophobicContact CD2-CG2 4.25Å; L785-V800 HydrophobicContact CG-CB 4.22Å; L785-V800 HydrophobicContact CG-CG2 4.3Å; P798-V800 HydrophobicContact CB-CG2 4.4Å; P798-V800 HydrophobicContact CG-CG2 4.28Å; P798-V800 PolarHBondContact O-N 3.4Å; V800-I863 CarbonylContact C-O 3.55Å; V800-I863 WeakPolarHBondContact CA-O 3.16Å; V800-I863 HydrophobicContact CG2-CB 4.47Å; V800-I865 HydrophobicContact CG1-CD1 4.02Å
801	I	86.2	Confident	69.8	Low	5 Å²	5	32.3 Å²	32.3	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.9	168	-65.4	174.6	0	0	0	107.2	R803 L821 E824 L825 L862 I863 I864 I865	I801-R803 HydrophobicContact CG2-CG 4.29Å; I801-L821 HydrophobicContact CG2-CD2 3.93Å; I801-E824 HydrophobicContact CD1-CG 4.4Å; I801-E824 WeakPolarHBondContact CG2-OE2 3.03Å; I801-L825 HydrophobicContact CD1-CD2 3.68Å; I801-L825 HydrophobicContact CD1-CG 4.28Å; I801-L862 HydrophobicContact CD1-CD1 4.44Å; I801-I863 PolarHBondContact N-O 3.32Å; I801-I864 HydrophobicContact CB-CG1 4.38Å; I801-I864 HydrophobicContact CD1-CG1 4.43Å; I801-I865 PolarHBondContact O-N 2.82Å
802	Y	87.4	Confident	70.6	Confident	14 Å²	14	33.1 Å²	33.1	6%	0.055	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120	177.7	175.6	-96.9	0	0	0	110.1	H717 M721 L777 A781 M804 I865 D867	H717-Y802 WeakPolarHBondContact CB-O 3.38Å; M721-Y802 HydrophobicContact CB-CD1 3.74Å; M721-Y802 HydrophobicContact CB-CE1 3.72Å; M721-Y802 HydrophobicContact CG-CD1 4.06Å; M721-Y802 HydrophobicContact CG-CE1 4.2Å; M721-Y802 HydrophobicContact CG-CG 4.42Å; M721-Y802 HydrophobicContact SD-CD1 4.45Å; M721-Y802 HydrophobicContact SD-CG 4.46Å; L777-Y802 HydrophobicContact CB-CE2 4.43Å; A781-Y802 HydrophobicContact CB-CD2 4.15Å; A781-Y802 HydrophobicContact CB-CG 4.42Å; Y802-M804 HydrophobicContact CE1-CB 3.93Å; Y802-I865 HydrophobicContact CD2-CB 3.97Å; Y802-I865 HydrophobicContact CD2-CD1 4.49Å; Y802-I865 HydrophobicContact CD2-CG2 3.72Å; Y802-I865 HydrophobicContact CE2-CG2 4.07Å; Y802-D867 HydrophobicContact CE2-CB 4.21Å; Y802-D867 PolarHBondContact OH-OD2 2.84Å; Y802-D867 VanDerWaalsContact OH-OD2 3.07Å
803	R	86.4	Confident	71.8	Confident	1 Å²	1	31 Å²	31	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	116.3	174.9	-60.5	-58.7	-167.3	120.7	-0.5	109.8	E713 H717 I801 L817 Y820 L821 E824 I865 L866 D867	E713-R803 VanDerWaalsContact CG-NH1 3.25Å; E713-R803 IonicContact OE1-NH1 2.74Å; E713-R803 PolarHBondContact OE1-NH1 2.87Å; H717-R803 WeakPolarHBondContact CD2-CD 3.15Å; H717-R803 PolarHBondContact NE2-NH1 3.01Å; I801-R803 HydrophobicContact CG2-CG 4.29Å; R803-L817 HydrophobicContact CB-CD1 4.5Å; R803-Y820 PolarHBondContact NH2-O 2.78Å; R803-L821 HydrophobicContact CG-CD2 3.88Å; R803-L821 HydrophobicContact CG-CG 4.49Å; R803-E824 IonicContact CZ-OE2 3.71Å; R803-E824 IonicContact NE-OE2 2.89Å; R803-E824 PolarHBondContact NE-OE2 3.2Å; R803-E824 IonicContact NH2-OE2 3.23Å; R803-E824 PolarHBondContact NH2-OE2 2.99Å; R803-I865 PolarHBondContact N-O 3.26Å; R803-L866 HydrophobicContact CB-CD2 4.11Å; R803-D867 PolarHBondContact O-N 2.96Å
804	M	84.8	Confident	73.3	Confident	10 Å²	10	23.6 Å²	23.6	5%	0.049	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	111	171.1	-160.3	-156.8	76.8	0	0	109.3	H717 M720 L724 Y802 G806 S807 D867 M1140	H717-M804 PolarHBondContact CE1-O 3.14Å; H717-M804 VanDerWaalsContact CE1-O 3.29Å; H717-M804 PolarHBondContact ND1-N 3.49Å; H717-M804 PolarHBondContact ND1-O 3.47Å; M720-M804 HydrophobicContact CE-CE 3.95Å; M720-M804 HydrophobicContact CE-SD 3.72Å; M720-M804 HydrophobicContact CG-CE 3.77Å; M720-M804 HydrophobicContact CG-SD 3.45Å; M720-M804 WeakPolarHBondContact CG-SD 3.37Å; M720-M804 HydrophobicContact SD-SD 4.48Å; L724-M804 HydrophobicContact CD1-SD 3.88Å; Y802-M804 HydrophobicContact CE1-CB 3.93Å; M804-G806 PolarHBondContact O-N 2.78Å; M804-G806 VanDerWaalsContact O-N 3.07Å; M804-S807 PolarHBondContact O-N 2.61Å; M804-S807 VanDerWaalsContact O-N 3.16Å; M804-S807 PolarHBondContact O-OG 2.96Å; M804-D867 HydrophobicContact CG-CB 4.13Å; M804-M1140 HydrophobicContact CE-SD 3.36Å; M804-M1140 WeakPolarHBondContact CE-SD 3.42Å
805	I	80.2	Confident	74.7	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	106.9	-171.3	-65.7	170.2	0	0	0	108.6	S811 L817 D867 I869 N871 I872	I805-S811 WeakPolarHBondContact CG2-O 3.1Å; I805-L817 HydrophobicContact CD1-CD2 3.96Å; I805-L817 HydrophobicContact CG1-CD2 4.02Å; I805-D867 WeakPolarHBondContact CB-O 3.41Å; I805-D867 PolarHBondContact N-O 3.37Å; I805-I869 HydrophobicContact CD1-CB 4.25Å; I805-I869 HydrophobicContact CD1-CG1 4.41Å; I805-N871 HydrophobicContact CB-CB 4.48Å; I805-N871 HydrophobicContact CG2-CB 3.77Å; I805-N871 WeakPolarHBondContact O-CB 3.45Å; I805-N871 PolarHBondContact O-ND2 3.42Å; I805-I872 HydrophobicContact CD1-CD1 4.29Å; I805-I872 HydrophobicContact CD1-CG1 4.36Å; I805-I872 HydrophobicContact CG2-CG1 3.7Å
806	G	71.5	Confident	75.7	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	119.2	-5.9	-176.2	0	0	0	0	0	115.9	M804 S808 S811 M1140 T1142	M804-G806 PolarHBondContact O-N 2.78Å; M804-G806 VanDerWaalsContact O-N 3.07Å; G806-S808 VanDerWaalsContact C-N 3.31Å; G806-S808 PolarHBondContact O-N 2.8Å; G806-S811 WeakPolarHBondContact CA-OG 3.38Å; G806-S811 PolarHBondContact N-OG 3.22Å; G806-M1140 VanDerWaalsContact O-CE 3.29Å; G806-M1140 WeakPolarHBondContact O-CE 3.35Å; G806-T1142 WeakPolarHBondContact O-CG2 3.35Å
807	S	74	Confident	76.7	Confident	6 Å²	6	21 Å²	21	4%	0.042	11%	0.109	C	C	.	.	S	Bend	trans	-63.6	-37.1	175.6	61.6	0	0	0	0	112.4	H717 M804 T1142 R1143	H717-S807 PolarHBondContact CE1-OG 3.05Å; H717-S807 PolarHBondContact ND1-OG 3.01Å; M804-S807 PolarHBondContact O-N 2.61Å; M804-S807 VanDerWaalsContact O-N 3.16Å; M804-S807 PolarHBondContact O-OG 2.96Å; S807-T1142 VanDerWaalsContact O-CA 3.3Å; S807-T1142 WeakPolarHBondContact O-CA 3.41Å; S807-R1143 PolarHBondContact O-N 2.88Å; S807-R1143 VanDerWaalsContact O-N 3.15Å
808	S	71.1	Confident	77.5	Confident	1 Å²	1	16 Å²	16	1%	0.007	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-112	156.1	166.7	79.2	0	0	0	0	110.6	E713 G806 M810 S811	E713-S808 VanDerWaalsContact CD-OG 3.22Å; E713-S808 PolarHBondContact OE1-OG 2.84Å; E713-S808 VanDerWaalsContact OE1-OG 3.13Å; E713-S808 WeakPolarHBondContact OE2-CB 3.42Å; E713-S808 PolarHBondContact OE2-OG 2.95Å; G806-S808 VanDerWaalsContact C-N 3.31Å; G806-S808 PolarHBondContact O-N 2.8Å; S808-M810 PolarHBondContact O-N 3.44Å; S808-M810 PolarHBondContact OG-N 3.23Å; S808-S811 PolarHBondContact O-N 2.86Å; S808-S811 PolarHBondContact O-OG 2.8Å; S808-S811 PolarHBondContact OG-N 3.02Å; S808-S811 PolarHBondContact OG-OG 2.75Å
809	T	65.1	Low	77.5	Confident	13 Å²	13	16.8 Å²	16.8	8%	0.08	9%	0.088	C	C	.	.	S	Bend	trans	-69.2	-11.5	170.7	58.2	0	0	0	0	113.6	L1055 R1143 P1145	T809-L1055 HydrophobicContact CG2-CD2 4.3Å; T809-R1143 PolarHBondContact N-O 3.22Å; T809-P1145 WeakPolarHBondContact OG1-CD 3.34Å
810	M	70.2	Confident	77.6	Confident	37 Å²	37	16 Å²	16	18%	0.182	9%	0.085	C	C	.	.	S	Bend	trans	-79	-42.4	173.5	-72.6	-67.9	136.2	0	0	111.7	W708 S808 L812 N813 N816 Y820	W708-M810 HydrophobicContact CE3-CE 4.06Å; W708-M810 HydrophobicContact CE3-CG 3.6Å; W708-M810 HydrophobicContact CE3-SD 4.41Å; W708-M810 HydrophobicContact CH2-CG 4.16Å; W708-M810 HydrophobicContact CZ3-CB 4.47Å; W708-M810 HydrophobicContact CZ3-CE 3.7Å; W708-M810 HydrophobicContact CZ3-CG 3.3Å; W708-M810 HydrophobicContact CZ3-SD 4.26Å; S808-M810 PolarHBondContact O-N 3.44Å; S808-M810 PolarHBondContact OG-N 3.23Å; M810-L812 PolarHBondContact O-N 2.83Å; M810-N813 PolarHBondContact O-N 2.95Å; M810-N816 HydrophobicContact CB-CB 4.3Å; M810-N816 HydrophobicContact SD-CB 4.03Å; M810-N816 PolarHBondContact SD-ND2 3.29Å; M810-Y820 HydrophobicContact CB-CD2 4.31Å; M810-Y820 HydrophobicContact CB-CE2 3.91Å; M810-Y820 HydrophobicContact CG-CE2 3.98Å; M810-Y820 HydrophobicContact SD-CE2 4.48Å
811	S	74.1	Confident	77.6	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.7	178.1	69.3	0	0	0	0	114.8	I805 G806 S808	I805-S811 WeakPolarHBondContact CG2-O 3.1Å; G806-S811 WeakPolarHBondContact CA-OG 3.38Å; G806-S811 PolarHBondContact N-OG 3.22Å; S808-S811 PolarHBondContact O-N 2.86Å; S808-S811 PolarHBondContact O-OG 2.8Å; S808-S811 PolarHBondContact OG-N 3.02Å; S808-S811 PolarHBondContact OG-OG 2.75Å
812	L	71.7	Confident	77.2	Confident	18 Å²	18	15.3 Å²	15.3	9%	0.094	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-19.8	173.3	-67.2	176.2	0	0	0	114.1	M810 N871 I872 E873	M810-L812 PolarHBondContact O-N 2.83Å; L812-N871 HydrophobicContact CD2-CB 4.35Å; L812-I872 WeakPolarHBondContact O-CA 3.37Å; L812-E873 HydrophobicContact CB-CG 4.45Å; L812-E873 PolarHBondContact O-N 2.88Å
813	N	73	Confident	76.5	Confident	51 Å²	51	17.4 Å²	17.4	27%	0.273	9%	0.092	S	C	.	.	S	Bend	trans	-100.2	131.5	178.1	170.9	-52.5	0	0	0	108.9	M810 L815 N816 L817	M810-N813 PolarHBondContact O-N 2.95Å; N813-L815 WeakPolarHBondContact OD1-CA 3.42Å; N813-L815 WeakPolarHBondContact OD1-CB 3.38Å; N813-L815 PolarHBondContact OD1-N 2.82Å; N813-N816 HydrophobicContact CB-CB 4.19Å; N813-N816 PolarHBondContact O-N 3.4Å; N813-N816 PolarHBondContact OD1-N 2.98Å; N813-L817 VanDerWaalsContact O-CB 3.3Å; N813-L817 WeakPolarHBondContact O-CB 3.33Å; N813-L817 PolarHBondContact O-N 2.74Å
814	L	79.7	Confident	76.1	Confident	5 Å²	5	18.7 Å²	18.7	3%	0.026	10%	0.098	C	C	.	.	H	α-helix	trans	-66.9	-39.5	-174.5	178.5	59.3	0	0	0	112.8	L818 Y838 I872 E874 F882 P883 W886	L814-L818 HydrophobicContact CD1-CD1 3.93Å; L814-L818 HydrophobicContact CD1-CG 4.05Å; L814-L818 HydrophobicContact CG-CD1 3.95Å; L814-L818 HydrophobicContact CG-CG 4.48Å; L814-L818 VanDerWaalsContact O-CB 3.29Å; L814-L818 WeakPolarHBondContact O-CB 3.5Å; L814-L818 WeakPolarHBondContact O-CD1 3.27Å; L814-L818 WeakPolarHBondContact O-CG 3.4Å; L814-L818 PolarHBondContact O-N 3.41Å; L814-Y838 HydrophobicContact CD2-CD2 4.41Å; L814-Y838 HydrophobicContact CD2-CE2 3.99Å; L814-I872 HydrophobicContact CB-CG2 4.19Å; L814-I872 HydrophobicContact CD1-CD1 4.44Å; L814-E874 WeakPolarHBondContact CB-OE1 3.1Å; L814-E874 PolarHBondContact N-OE1 2.83Å; L814-E874 PolarHBondContact N-OE2 2.84Å; L814-F882 HydrophobicContact CD2-CE2 3.94Å; L814-F882 HydrophobicContact CD2-CZ 4.07Å; L814-P883 HydrophobicContact CD2-CG 4.21Å; L814-W886 HydrophobicContact CD1-CD2 4.07Å; L814-W886 HydrophobicContact CD1-CG 4.35Å; L814-W886 HydrophobicContact CD1-CZ2 3.82Å
815	L	77.4	Confident	75.6	Confident	62 Å²	62	18.3 Å²	18.3	33%	0.325	10%	0.097	S	C	.	.	H	α-helix	trans	-65.4	-43	177.7	-62.4	173.5	0	0	0	111	N813 L818 S819 Y838 L841	N813-L815 WeakPolarHBondContact OD1-CA 3.42Å; N813-L815 WeakPolarHBondContact OD1-CB 3.38Å; N813-L815 PolarHBondContact OD1-N 2.82Å; L815-L818 PolarHBondContact O-N 2.81Å; L815-S819 WeakPolarHBondContact O-CB 3.22Å; L815-S819 PolarHBondContact O-N 2.88Å; L815-S819 PolarHBondContact O-OG 2.71Å; L815-Y838 HydrophobicContact CD2-CD2 4.46Å; L815-L841 HydrophobicContact CB-CD1 4.15Å; L815-L841 HydrophobicContact CD2-CD1 3.93Å; L815-L841 WeakPolarHBondContact O-CD1 3.27Å
816	N	75.7	Confident	75	Confident	37 Å²	37	19.7 Å²	19.7	20%	0.198	11%	0.106	C	C	.	.	H	α-helix	trans	-71.5	-39	-179.9	-62.2	-15.3	0	0	0	111.7	M810 N813 L818 S819 Y820	M810-N816 HydrophobicContact CB-CB 4.3Å; M810-N816 HydrophobicContact SD-CB 4.03Å; M810-N816 PolarHBondContact SD-ND2 3.29Å; N813-N816 HydrophobicContact CB-CB 4.19Å; N813-N816 PolarHBondContact O-N 3.4Å; N813-N816 PolarHBondContact OD1-N 2.98Å; N816-L818 VanDerWaalsContact C-N 3.32Å; N816-L818 PolarHBondContact O-N 2.86Å; N816-S819 PolarHBondContact O-N 3.31Å; N816-S819 PolarHBondContact O-OG 3.48Å; N816-S819 VanDerWaalsContact O-OG 3.14Å; N816-Y820 WeakPolarHBondContact O-CB 3.24Å; N816-Y820 WeakPolarHBondContact O-CD2 3.25Å; N816-Y820 PolarHBondContact O-N 3.14Å
817	L	81.5	Confident	74.4	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.6	-43	172.1	-179.1	64.3	0	0	0	111.2	R803 I805 N813 L821 I872	R803-L817 HydrophobicContact CB-CD1 4.5Å; I805-L817 HydrophobicContact CD1-CD2 3.96Å; I805-L817 HydrophobicContact CG1-CD2 4.02Å; N813-L817 VanDerWaalsContact O-CB 3.3Å; N813-L817 WeakPolarHBondContact O-CB 3.33Å; N813-L817 PolarHBondContact O-N 2.74Å; L817-L821 HydrophobicContact CD1-CD1 4.36Å; L817-L821 HydrophobicContact CG-CD1 4.21Å; L817-L821 VanDerWaalsContact O-CB 3.32Å; L817-L821 WeakPolarHBondContact O-CB 3.28Å; L817-L821 WeakPolarHBondContact O-CD1 3.47Å; L817-L821 VanDerWaalsContact O-CG 3.29Å; L817-L821 WeakPolarHBondContact O-CG 3.28Å; L817-L821 PolarHBondContact O-N 3.02Å; L817-I872 HydrophobicContact CD2-CD1 4.36Å
818	L	82.9	Confident	73.1	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67.9	-42.1	176.5	-74.5	170.9	0	0	0	112.5	L814 L815 N816 L821 C822 Y838 L841 L845 W886	L814-L818 HydrophobicContact CD1-CD1 3.93Å; L814-L818 HydrophobicContact CD1-CG 4.05Å; L814-L818 HydrophobicContact CG-CD1 3.95Å; L814-L818 HydrophobicContact CG-CG 4.48Å; L814-L818 VanDerWaalsContact O-CB 3.29Å; L814-L818 WeakPolarHBondContact O-CB 3.5Å; L814-L818 WeakPolarHBondContact O-CD1 3.27Å; L814-L818 WeakPolarHBondContact O-CG 3.4Å; L814-L818 PolarHBondContact O-N 3.41Å; L815-L818 PolarHBondContact O-N 2.81Å; N816-L818 VanDerWaalsContact C-N 3.32Å; N816-L818 PolarHBondContact O-N 2.86Å; L818-L821 PolarHBondContact O-N 3.27Å; L818-C822 WeakPolarHBondContact O-CB 3.49Å; L818-C822 PolarHBondContact O-N 3.12Å; L818-C822 PolarHBondContact O-SG 2.89Å; L818-Y838 HydrophobicContact CD1-CD2 4.18Å; L818-Y838 HydrophobicContact CD1-CE2 4.13Å; L818-L841 HydrophobicContact CB-CB 4.08Å; L818-L841 HydrophobicContact CB-CD1 3.99Å; L818-L841 HydrophobicContact CD1-CB 4.38Å; L818-L845 HydrophobicContact CD2-CD2 3.79Å; L818-W886 HydrophobicContact CD1-CB 4.23Å; L818-W886 HydrophobicContact CD1-CG 4.38Å; L818-W886 HydrophobicContact CD2-CB 4.11Å; L818-W886 HydrophobicContact CD2-CD2 4.08Å; L818-W886 HydrophobicContact CD2-CE3 3.73Å; L818-W886 HydrophobicContact CD2-CG 4.27Å; L818-W886 HydrophobicContact CD2-CZ3 4.45Å
819	S	76.6	Confident	71.6	Confident	26 Å²	26	32.5 Å²	32.5	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-66.8	-46.6	178.9	71.1	0	0	0	0	111	L815 N816 L821 C822 I823	L815-S819 WeakPolarHBondContact O-CB 3.22Å; L815-S819 PolarHBondContact O-N 2.88Å; L815-S819 PolarHBondContact O-OG 2.71Å; N816-S819 PolarHBondContact O-N 3.31Å; N816-S819 PolarHBondContact O-OG 3.48Å; N816-S819 VanDerWaalsContact O-OG 3.14Å; S819-L821 VanDerWaalsContact C-N 3.31Å; S819-L821 PolarHBondContact O-N 3.21Å; S819-C822 PolarHBondContact O-N 2.96Å; S819-C822 VanDerWaalsContact O-N 3.14Å; S819-I823 WeakPolarHBondContact O-CG1 3.39Å; S819-I823 PolarHBondContact O-N 3.04Å
820	Y	78.1	Confident	70.5	Confident	29 Å²	29	39.3 Å²	39.3	11%	0.114	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-28.6	175.2	-76.1	-62.9	0	0	0	113.7	W708 L710 E713 R803 M810 N816 I823 E824	W708-Y820 PolarHBondContact O-OH 3Å; L710-Y820 HydrophobicContact CD1-CD1 4.02Å; E713-Y820 HydrophobicContact CB-CD1 4.3Å; E713-Y820 HydrophobicContact CB-CE1 4.39Å; E713-Y820 HydrophobicContact CB-CG 4.46Å; E713-Y820 HydrophobicContact CG-CD1 4.27Å; E713-Y820 HydrophobicContact CG-CD2 4.12Å; E713-Y820 HydrophobicContact CG-CG 3.95Å; R803-Y820 PolarHBondContact NH2-O 2.78Å; M810-Y820 HydrophobicContact CB-CD2 4.31Å; M810-Y820 HydrophobicContact CB-CE2 3.91Å; M810-Y820 HydrophobicContact CG-CE2 3.98Å; M810-Y820 HydrophobicContact SD-CE2 4.48Å; N816-Y820 WeakPolarHBondContact O-CB 3.24Å; N816-Y820 WeakPolarHBondContact O-CD2 3.25Å; N816-Y820 PolarHBondContact O-N 3.14Å; Y820-I823 HydrophobicContact CD1-CD1 4.22Å; Y820-E824 VanDerWaalsContact O-CB 3.3Å; Y820-E824 WeakPolarHBondContact O-CB 3.01Å; Y820-E824 PolarHBondContact O-N 3.11Å
821	L	81.2	Confident	69	Low	8 Å²	8	46 Å²	46	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-71.3	-41.6	169.5	-82.3	169	0	0	0	112.1	I801 R803 L817 L818 S819 E824 L825 L845 L866	I801-L821 HydrophobicContact CG2-CD2 3.93Å; R803-L821 HydrophobicContact CG-CD2 3.88Å; R803-L821 HydrophobicContact CG-CG 4.49Å; L817-L821 HydrophobicContact CD1-CD1 4.36Å; L817-L821 HydrophobicContact CG-CD1 4.21Å; L817-L821 VanDerWaalsContact O-CB 3.32Å; L817-L821 WeakPolarHBondContact O-CB 3.28Å; L817-L821 WeakPolarHBondContact O-CD1 3.47Å; L817-L821 VanDerWaalsContact O-CG 3.29Å; L817-L821 WeakPolarHBondContact O-CG 3.28Å; L817-L821 PolarHBondContact O-N 3.02Å; L818-L821 PolarHBondContact O-N 3.27Å; S819-L821 VanDerWaalsContact C-N 3.31Å; S819-L821 PolarHBondContact O-N 3.21Å; L821-E824 PolarHBondContact O-N 3.14Å; L821-L825 WeakPolarHBondContact O-CG 2.95Å; L821-L825 PolarHBondContact O-N 3.14Å; L821-L845 HydrophobicContact CB-CD1 4.13Å; L821-L866 HydrophobicContact CD1-CD2 4.39Å
822	C	77.6	Confident	67.5	Low	3 Å²	3	50 Å²	50	2%	0.02	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-45.5	174.4	-68.5	0	0	0	0	110.8	L818 S819 L825 S826 I834	L818-C822 WeakPolarHBondContact O-CB 3.49Å; L818-C822 PolarHBondContact O-N 3.12Å; L818-C822 PolarHBondContact O-SG 2.89Å; S819-C822 PolarHBondContact O-N 2.96Å; S819-C822 VanDerWaalsContact O-N 3.14Å; C822-L825 PolarHBondContact O-N 2.97Å; C822-S826 WeakPolarHBondContact O-CB 3.41Å; C822-S826 PolarHBondContact O-N 2.75Å; C822-S826 PolarHBondContact O-OG 3.49Å; C822-S826 VanDerWaalsContact O-OG 3.14Å; C822-I834 HydrophobicContact CB-CD1 4.4Å; C822-I834 HydrophobicContact CB-CG2 4.3Å
823	I	74.4	Confident	66.4	Low	58 Å²	58	54.5 Å²	54.5	30%	0.297	30%	0.298	S	S	.	.	H	α-helix	trans	-61.7	-45.4	176.2	-61.7	160.9	0	0	0	110.4	L710 S819 Y820 L825 S826 T827 I834	L710-I823 HydrophobicContact CB-CG2 4.35Å; L710-I823 HydrophobicContact CD1-CB 4.28Å; L710-I823 HydrophobicContact CD1-CG2 4.06Å; L710-I823 HydrophobicContact CD2-CG2 4.04Å; L710-I823 HydrophobicContact CG-CG2 4.36Å; S819-I823 WeakPolarHBondContact O-CG1 3.39Å; S819-I823 PolarHBondContact O-N 3.04Å; Y820-I823 HydrophobicContact CD1-CD1 4.22Å; I823-L825 VanDerWaalsContact C-N 3.34Å; I823-L825 PolarHBondContact O-N 3.42Å; I823-S826 CarbonylContact O-C 3.47Å; I823-S826 PolarHBondContact O-N 3.03Å; I823-S826 PolarHBondContact O-OG 2.72Å; I823-T827 WeakPolarHBondContact O-CG2 3.38Å; I823-T827 PolarHBondContact O-N 3.22Å; I823-I834 HydrophobicContact CB-CD1 4.32Å; I823-I834 HydrophobicContact CG1-CD1 3.39Å
824	E	77.3	Confident	65.8	Low	29 Å²	29	54.4 Å²	54.4	14%	0.136	30%	0.297	C	S	.	.	H	α-helix	trans	-58.1	-44.6	177.8	-176.2	174.5	-168.3	0	0	112.2	L710 I714 I801 R803 Y820 L821 T827	L710-E824 HydrophobicContact CD1-CB 4.22Å; I714-E824 HydrophobicContact CD1-CG 4.26Å; I801-E824 HydrophobicContact CD1-CG 4.4Å; I801-E824 WeakPolarHBondContact CG2-OE2 3.03Å; R803-E824 IonicContact CZ-OE2 3.71Å; R803-E824 IonicContact NE-OE2 2.89Å; R803-E824 PolarHBondContact NE-OE2 3.2Å; R803-E824 IonicContact NH2-OE2 3.23Å; R803-E824 PolarHBondContact NH2-OE2 2.99Å; Y820-E824 VanDerWaalsContact O-CB 3.3Å; Y820-E824 WeakPolarHBondContact O-CB 3.01Å; Y820-E824 PolarHBondContact O-N 3.11Å; L821-E824 PolarHBondContact O-N 3.14Å; E824-T827 PolarHBondContact O-OG1 3.43Å
825	L	74.8	Confident	64.9	Low	2 Å²	2	56.5 Å²	56.5	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-68.6	-41.6	174.7	-69	166.8	0	0	0	112	I801 L821 C822 I823 T827 L845 A848 I849 A852	I801-L825 HydrophobicContact CD1-CD2 3.68Å; I801-L825 HydrophobicContact CD1-CG 4.28Å; L821-L825 WeakPolarHBondContact O-CG 2.95Å; L821-L825 PolarHBondContact O-N 3.14Å; C822-L825 PolarHBondContact O-N 2.97Å; I823-L825 VanDerWaalsContact C-N 3.34Å; I823-L825 PolarHBondContact O-N 3.42Å; L825-T827 VanDerWaalsContact C-N 3.32Å; L825-T827 PolarHBondContact O-N 2.98Å; L825-L845 HydrophobicContact CD1-CD1 3.91Å; L825-A848 HydrophobicContact CB-CB 3.91Å; L825-A848 HydrophobicContact CD1-CB 4.14Å; L825-I849 HydrophobicContact CD1-CG1 3.82Å; L825-A852 HydrophobicContact CD2-CB 4.27Å
826	S	66.5	Low	64	Low	28 Å²	28	56 Å²	56	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-82.7	0.8	-175.6	82.4	0	0	0	0	114.5	C822 I823 R828 M829	C822-S826 WeakPolarHBondContact O-CB 3.41Å; C822-S826 PolarHBondContact O-N 2.75Å; C822-S826 PolarHBondContact O-OG 3.49Å; C822-S826 VanDerWaalsContact O-OG 3.14Å; I823-S826 CarbonylContact O-C 3.47Å; I823-S826 PolarHBondContact O-N 3.03Å; I823-S826 PolarHBondContact O-OG 2.72Å; S826-R828 PolarHBondContact O-N 2.65Å; S826-M829 PolarHBondContact O-N 3.1Å
827	T	59.8	Low	63.5	Low	86 Å²	86	58.4 Å²	58.4	53%	0.528	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-8.2	172.1	52.1	0	0	0	0	114.7	L710 I823 E824 L825	L710-T827 HydrophobicContact CD2-CG2 3.57Å; I823-T827 WeakPolarHBondContact O-CG2 3.38Å; I823-T827 PolarHBondContact O-N 3.22Å; E824-T827 PolarHBondContact O-OG1 3.43Å; L825-T827 VanDerWaalsContact C-N 3.32Å; L825-T827 PolarHBondContact O-N 2.98Å
828	R	46.8	Very low	63.1	Low	157 Å²	157	60.6 Å²	60.6	59%	0.592	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	-13.8	172.6	-65.7	-169.8	174.2	-168.1	-4.8	115	S826 E855	S826-R828 PolarHBondContact O-N 2.65Å; R828-E855 VanDerWaalsContact CB-OE2 3.24Å; R828-E855 WeakPolarHBondContact CB-OE2 3.47Å; R828-E855 WeakPolarHBondContact CD-OE2 3.23Å
829	M	39.6	Very low	62.6	Low	33 Å²	33	64.8 Å²	64.8	16%	0.163	36%	0.356	C	S	.	.	S	Bend	trans	-86.9	156	-174.2	-60	-157.3	-62.2	0	0	111.5	S826 A848 E851	S826-M829 PolarHBondContact O-N 3.1Å; M829-A848 HydrophobicContact CE-CB 3.64Å; M829-E851 HydrophobicContact SD-CB 3.4Å; M829-E851 WeakPolarHBondContact SD-CB 3.37Å; M829-E851 VanDerWaalsContact SD-CD 3.59Å; M829-E851 HydrophobicContact SD-CG 4.07Å
830	N	42.3	Very low	62.5	Low	157 Å²	157	64 Å²	64	84%	0.84	35%	0.352	S	S	*	.			trans	-58.3	140.2	173.4	-72.5	-54.1	0	0	0	110.6	S832	N830-S832 VanDerWaalsContact C-N 3.32Å; N830-S832 PolarHBondContact O-N 3.04Å
831	N	38.8	Very low	62.3	Low	176 Å²	176	62.8 Å²	62.8	94%	0.941	35%	0.347	S	S	*	.			trans	-56.4	83.8	-177.3	-69.3	-7.1	0	0	0	113.4
832	S	42.5	Very low	62.2	Low	85 Å²	85	66.1 Å²	66.1	59%	0.594	36%	0.359	S	S	*	.			trans	-89.8	146	163.7	54.9	0	0	0	0	109.4	N830 I834	N830-S832 VanDerWaalsContact C-N 3.32Å; N830-S832 PolarHBondContact O-N 3.04Å; S832-I834 PolarHBondContact O-N 3.19Å; S832-I834 VanDerWaalsContact O-N 3.1Å
833	S	48.7	Very low	62.2	Low	113 Å²	113	70 Å²	70	79%	0.79	38%	0.383	S	S	*	.			trans	-68.2	107.7	173.9	52	0	0	0	0	109.3	P835	S833-P835 WeakPolarHBondContact O-CD 3.37Å
834	I	60.2	Low	62.1	Low	49 Å²	49	68.1 Å²	68.1	25%	0.251	38%	0.376	S	S	.	.			trans	-60	123.8	171.5	-61.6	176.5	0	0	0	107.4	C822 I823 S832 L841	C822-I834 HydrophobicContact CB-CD1 4.4Å; C822-I834 HydrophobicContact CB-CG2 4.3Å; I823-I834 HydrophobicContact CB-CD1 4.32Å; I823-I834 HydrophobicContact CG1-CD1 3.39Å; S832-I834 PolarHBondContact O-N 3.19Å; S832-I834 VanDerWaalsContact O-N 3.1Å; I834-L841 HydrophobicContact CG2-CD2 3.61Å
835	P	59.5	Low	62.3	Low	48 Å²	48	67.1 Å²	67.1	31%	0.312	37%	0.372	S	S	.	.			trans	-86.4	124.5	-171.4	31.4	-35.4	0	0	0	112.8	S833 T837 G840 L841 A844	S833-P835 WeakPolarHBondContact O-CD 3.37Å; P835-T837 PolarHBondContact O-N 3.06Å; P835-G840 VanDerWaalsContact CG-C 3.43Å; P835-L841 VanDerWaalsContact O-CD2 3.31Å; P835-L841 WeakPolarHBondContact O-CD2 3.3Å; P835-L841 VanDerWaalsContact O-CG 3.3Å; P835-L841 WeakPolarHBondContact O-CG 3.31Å; P835-L841 PolarHBondContact O-N 2.79Å; P835-A844 HydrophobicContact CG-CB 4.31Å
836	D	59.7	Low	62.6	Low	51 Å²	51	68.6 Å²	68.6	27%	0.273	38%	0.379	S	S	.	.	S	Bend	trans	-63.2	-7.4	-172.5	-38.3	-13.8	0	0	0	115.8	N1267	D836-N1267 PolarHBondContact OD2-ND2 3Å
837	T	65.1	Low	63	Low	88 Å²	88	70.8 Å²	70.8	54%	0.54	39%	0.391	S	S	.	.	S	Bend	trans	-91.2	150	-175.6	61.7	0	0	0	0	112.1	P835 D839 G840 L841	P835-T837 PolarHBondContact O-N 3.06Å; T837-D839 PolarHBondContact O-N 3.05Å; T837-G840 CarbonylContact O-C 3.41Å; T837-G840 WeakPolarHBondContact O-CA 3.48Å; T837-G840 PolarHBondContact O-N 3.04Å; T837-G840 PolarHBondContact OG1-N 3.4Å; T837-L841 PolarHBondContact O-N 2.94Å
838	Y	72	Confident	63.7	Low	47 Å²	47	66.8 Å²	66.8	18%	0.184	37%	0.367	C	S	.	.	H	α-helix	trans	-54.3	-48.8	-179.8	171.9	-98.9	0	0	0	113.6	L814 L815 L818 G840 L841 R842 P883 S885 W886	L814-Y838 HydrophobicContact CD2-CD2 4.41Å; L814-Y838 HydrophobicContact CD2-CE2 3.99Å; L815-Y838 HydrophobicContact CD2-CD2 4.46Å; L818-Y838 HydrophobicContact CD1-CD2 4.18Å; L818-Y838 HydrophobicContact CD1-CE2 4.13Å; Y838-G840 VanDerWaalsContact C-N 3.3Å; Y838-G840 PolarHBondContact O-N 3.14Å; Y838-L841 PolarHBondContact O-N 2.79Å; Y838-R842 WeakPolarHBondContact O-CB 3.29Å; Y838-R842 PolarHBondContact O-N 3.39Å; Y838-P883 HydrophobicContact CE1-CB 4.26Å; Y838-P883 HydrophobicContact CE2-CB 4.43Å; Y838-P883 HydrophobicContact CE2-CG 4.32Å; Y838-P883 PolarHBondContact OH-O 3.03Å; Y838-S885 PolarHBondContact OH-OG 2.89Å; Y838-W886 HydrophobicContact CE2-CB 4.14Å; Y838-W886 AromaticContact CE2-CD1 3.98Å; Y838-W886 HydrophobicContact CE2-CG 4.4Å; Y838-W886 PolarHBondContact OH-N 3.37Å
839	D	72.6	Confident	65.2	Low	88 Å²	88	59.3 Å²	59.3	47%	0.471	34%	0.338	S	S	.	.	H	α-helix	trans	-72.4	-25.6	178.4	-77.1	-63.6	0	0	0	112.6	T837 R842 T843	T837-D839 PolarHBondContact O-N 3.05Å; D839-R842 IonicContact OD1-CZ 3.03Å; D839-R842 IonicContact OD1-NH1 3.61Å; D839-R842 PolarHBondContact OD1-NH1 3.1Å; D839-T843 WeakPolarHBondContact O-CB 3.25Å; D839-T843 WeakPolarHBondContact O-CG2 3.23Å; D839-T843 PolarHBondContact O-N 3.17Å; D839-T843 PolarHBondContact O-OG1 3.44Å
840	G	74.2	Confident	66.9	Low	9 Å²	9	59.4 Å²	59.4	9%	0.093	34%	0.341	C	S	.	.	H	α-helix	trans	-61.7	-62	165.7	0	0	0	0	0	111.8	P835 T837 Y838 R842 T843 A844	P835-G840 VanDerWaalsContact CG-C 3.43Å; T837-G840 CarbonylContact O-C 3.41Å; T837-G840 WeakPolarHBondContact O-CA 3.48Å; T837-G840 PolarHBondContact O-N 3.04Å; T837-G840 PolarHBondContact OG1-N 3.4Å; Y838-G840 VanDerWaalsContact C-N 3.3Å; Y838-G840 PolarHBondContact O-N 3.14Å; G840-R842 PolarHBondContact O-N 3.37Å; G840-T843 PolarHBondContact O-N 3.4Å; G840-T843 VanDerWaalsContact O-N 3.07Å; G840-T843 PolarHBondContact O-OG1 3.33Å; G840-A844 WeakPolarHBondContact O-CB 3.37Å; G840-A844 PolarHBondContact O-N 3.21Å
841	L	75.4	Confident	68.2	Low	4 Å²	4	56 Å²	56	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-55.8	-37.3	177.9	-68.4	179.9	0	0	0	112.3	L815 L818 I834 P835 T837 Y838 L845	L815-L841 HydrophobicContact CB-CD1 4.15Å; L815-L841 HydrophobicContact CD2-CD1 3.93Å; L815-L841 WeakPolarHBondContact O-CD1 3.27Å; L818-L841 HydrophobicContact CB-CB 4.08Å; L818-L841 HydrophobicContact CB-CD1 3.99Å; L818-L841 HydrophobicContact CD1-CB 4.38Å; I834-L841 HydrophobicContact CG2-CD2 3.61Å; P835-L841 VanDerWaalsContact O-CD2 3.31Å; P835-L841 WeakPolarHBondContact O-CD2 3.3Å; P835-L841 VanDerWaalsContact O-CG 3.3Å; P835-L841 WeakPolarHBondContact O-CG 3.31Å; P835-L841 PolarHBondContact O-N 2.79Å; T837-L841 PolarHBondContact O-N 2.94Å; Y838-L841 PolarHBondContact O-N 2.79Å; L841-L845 WeakPolarHBondContact O-CB 3.18Å; L841-L845 PolarHBondContact O-N 2.65Å
842	R	79	Confident	69.6	Low	78 Å²	78	47.8 Å²	47.8	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-64.5	-44.4	174.8	168.1	173.4	174.7	-118.1	-8.4	112.5	Y838 D839 G840 H846 S885	Y838-R842 WeakPolarHBondContact O-CB 3.29Å; Y838-R842 PolarHBondContact O-N 3.39Å; D839-R842 IonicContact OD1-CZ 3.03Å; D839-R842 IonicContact OD1-NH1 3.61Å; D839-R842 PolarHBondContact OD1-NH1 3.1Å; G840-R842 PolarHBondContact O-N 3.37Å; R842-H846 PolarHBondContact O-CD2 3Å; R842-H846 PolarHBondContact O-N 3.35Å; R842-H846 VanDerWaalsContact O-N 3.17Å; R842-S885 PolarHBondContact NE-O 3.34Å
843	T	77.5	Confident	71	Confident	84 Å²	84	43.7 Å²	43.7	52%	0.515	25%	0.248	S	C	.	.	H	α-helix	trans	-71.5	-41.5	176.5	46.6	0	0	0	0	111.4	D839 G840 L845 H846 T847	D839-T843 WeakPolarHBondContact O-CB 3.25Å; D839-T843 WeakPolarHBondContact O-CG2 3.23Å; D839-T843 PolarHBondContact O-N 3.17Å; D839-T843 PolarHBondContact O-OG1 3.44Å; G840-T843 PolarHBondContact O-N 3.4Å; G840-T843 VanDerWaalsContact O-N 3.07Å; G840-T843 PolarHBondContact O-OG1 3.33Å; T843-L845 PolarHBondContact O-N 2.94Å; T843-H846 PolarHBondContact O-N 2.79Å; T843-H846 VanDerWaalsContact O-N 3.12Å; T843-T847 PolarHBondContact O-N 3.13Å; T843-T847 PolarHBondContact O-OG1 2.84Å
844	A	72.2	Confident	71.8	Confident	19 Å²	19	44 Å²	44	16%	0.157	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-38.7	173.9	0	0	0	0	0	112.8	P835 G840 T847 A848	P835-A844 HydrophobicContact CG-CB 4.31Å; G840-A844 WeakPolarHBondContact O-CB 3.37Å; G840-A844 PolarHBondContact O-N 3.21Å; A844-T847 PolarHBondContact O-OG1 3.33Å; A844-A848 WeakPolarHBondContact O-CB 3.33Å; A844-A848 PolarHBondContact O-N 3.31Å
845	L	81.2	Confident	71.8	Confident	7 Å²	7	45.9 Å²	45.9	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-42.8	172.7	-175.4	75.9	0	0	0	110.9	L818 L821 L825 L841 T843 I849 W886	L818-L845 HydrophobicContact CD2-CD2 3.79Å; L821-L845 HydrophobicContact CB-CD1 4.13Å; L825-L845 HydrophobicContact CD1-CD1 3.91Å; L841-L845 WeakPolarHBondContact O-CB 3.18Å; L841-L845 PolarHBondContact O-N 2.65Å; T843-L845 PolarHBondContact O-N 2.94Å; L845-I849 HydrophobicContact CD1-CD1 4.31Å; L845-I849 HydrophobicContact CD2-CD1 4.45Å; L845-I849 HydrophobicContact CG-CD1 3.92Å; L845-I849 WeakPolarHBondContact O-CB 3.48Å; L845-I849 WeakPolarHBondContact O-CD1 3.39Å; L845-I849 WeakPolarHBondContact O-CG1 3.23Å; L845-I849 PolarHBondContact O-N 2.97Å; L845-W886 HydrophobicContact CD2-CE3 4.4Å
846	H	81.1	Confident	71.8	Confident	34 Å²	34	44 Å²	44	16%	0.157	23%	0.227	C	C	.	.	H	α-helix	trans	-70	-36.8	-178.1	-74.6	-154.9	0	0	0	111.7	R842 T843 V850 W886 W891	R842-H846 PolarHBondContact O-CD2 3Å; R842-H846 PolarHBondContact O-N 3.35Å; R842-H846 VanDerWaalsContact O-N 3.17Å; T843-H846 PolarHBondContact O-N 2.79Å; T843-H846 VanDerWaalsContact O-N 3.12Å; H846-V850 WeakPolarHBondContact O-CG2 3.44Å; H846-V850 PolarHBondContact O-N 3.03Å; H846-W886 PolarHBondContact NE2-O 2.84Å; H846-W891 HydrophobicContact CB-CZ2 4.18Å
847	T	75.9	Confident	72	Confident	73 Å²	73	44.5 Å²	44.5	45%	0.448	24%	0.235	S	C	.	.	H	α-helix	trans	-70.5	-48.6	171.2	62.9	0	0	0	0	111	T843 A844 I849 V850 E851	T843-T847 PolarHBondContact O-N 3.13Å; T843-T847 PolarHBondContact O-OG1 2.84Å; A844-T847 PolarHBondContact O-OG1 3.33Å; T847-I849 VanDerWaalsContact C-N 3.27Å; T847-I849 PolarHBondContact O-N 2.92Å; T847-V850 CarbonylContact O-C 3.22Å; T847-V850 WeakPolarHBondContact O-CA 3.46Å; T847-V850 WeakPolarHBondContact O-CB 3.03Å; T847-V850 PolarHBondContact O-N 3.18Å; T847-E851 WeakPolarHBondContact CB-OE2 3.37Å; T847-E851 WeakPolarHBondContact O-CB 3.49Å; T847-E851 WeakPolarHBondContact O-CG 3.42Å; T847-E851 PolarHBondContact O-N 2.71Å; T847-E851 PolarHBondContact OG1-OE2 3.01Å
848	A	73.4	Confident	71.9	Confident	3 Å²	3	44.2 Å²	44.2	3%	0.025	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-32.8	-178.3	0	0	0	0	0	113.2	L825 M829 A844 E851 A852	L825-A848 HydrophobicContact CB-CB 3.91Å; L825-A848 HydrophobicContact CD1-CB 4.14Å; M829-A848 HydrophobicContact CE-CB 3.64Å; A844-A848 WeakPolarHBondContact O-CB 3.33Å; A844-A848 PolarHBondContact O-N 3.31Å; A848-E851 PolarHBondContact N-OE2 2.71Å; A848-A852 WeakPolarHBondContact O-CB 3.35Å; A848-A852 PolarHBondContact O-N 3.18Å
849	I	77.9	Confident	71.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-45.1	170.7	-68.7	164.6	0	0	0	110.9	L825 L845 T847 T853 I864 W891 V902 F904	L825-I849 HydrophobicContact CD1-CG1 3.82Å; L845-I849 HydrophobicContact CD1-CD1 4.31Å; L845-I849 HydrophobicContact CD2-CD1 4.45Å; L845-I849 HydrophobicContact CG-CD1 3.92Å; L845-I849 WeakPolarHBondContact O-CB 3.48Å; L845-I849 WeakPolarHBondContact O-CD1 3.39Å; L845-I849 WeakPolarHBondContact O-CG1 3.23Å; L845-I849 PolarHBondContact O-N 2.97Å; T847-I849 VanDerWaalsContact C-N 3.27Å; T847-I849 PolarHBondContact O-N 2.92Å; I849-T853 VanDerWaalsContact O-CG2 3.28Å; I849-T853 WeakPolarHBondContact O-CG2 3.42Å; I849-T853 PolarHBondContact O-N 3.11Å; I849-I864 HydrophobicContact CD1-CD1 4.41Å; I849-I864 HydrophobicContact CG1-CD1 4.34Å; I849-W891 HydrophobicContact CB-CH2 4.04Å; I849-W891 HydrophobicContact CB-CZ3 4.5Å; I849-W891 HydrophobicContact CG2-CH2 3.69Å; I849-W891 HydrophobicContact CG2-CZ3 3.67Å; I849-V902 HydrophobicContact CG2-CG1 4.31Å; I849-F904 HydrophobicContact CD1-CE2 4.12Å; I849-F904 HydrophobicContact CD1-CZ 3.83Å
850	V	75.2	Confident	71.4	Confident	35 Å²	35	44.7 Å²	44.7	21%	0.212	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-49.8	178.9	169.9	0	0	0	0	111	H846 T847 A852 T853 Y854 W891 L898	H846-V850 WeakPolarHBondContact O-CG2 3.44Å; H846-V850 PolarHBondContact O-N 3.03Å; T847-V850 CarbonylContact O-C 3.22Å; T847-V850 WeakPolarHBondContact O-CA 3.46Å; T847-V850 WeakPolarHBondContact O-CB 3.03Å; T847-V850 PolarHBondContact O-N 3.18Å; V850-A852 PolarHBondContact O-N 2.68Å; V850-T853 WeakPolarHBondContact O-CA 3.49Å; V850-T853 WeakPolarHBondContact O-CB 3.34Å; V850-T853 PolarHBondContact O-N 2.85Å; V850-T853 PolarHBondContact O-OG1 2.82Å; V850-Y854 HydrophobicContact CG1-CD2 3.91Å; V850-Y854 HydrophobicContact CG1-CE2 3.69Å; V850-Y854 WeakPolarHBondContact O-CD2 3.41Å; V850-Y854 PolarHBondContact O-N 3.42Å; V850-Y854 VanDerWaalsContact O-N 3.16Å; V850-W891 HydrophobicContact CG2-CH2 3.88Å; V850-W891 HydrophobicContact CG2-CZ2 4.15Å; V850-L898 HydrophobicContact CG2-CD2 4.02Å
851	E	70.3	Confident	71.6	Confident	85 Å²	85	44.3 Å²	44.3	40%	0.397	23%	0.233	S	C	.	.	H	α-helix	trans	-61	-42.9	178.8	-67.2	168.1	115.8	0	0	110.9	M829 T847 A848 T853 Y854 E855	M829-E851 HydrophobicContact SD-CB 3.4Å; M829-E851 WeakPolarHBondContact SD-CB 3.37Å; M829-E851 VanDerWaalsContact SD-CD 3.59Å; M829-E851 HydrophobicContact SD-CG 4.07Å; T847-E851 WeakPolarHBondContact CB-OE2 3.37Å; T847-E851 WeakPolarHBondContact O-CB 3.49Å; T847-E851 WeakPolarHBondContact O-CG 3.42Å; T847-E851 PolarHBondContact O-N 2.71Å; T847-E851 PolarHBondContact OG1-OE2 3.01Å; A848-E851 PolarHBondContact N-OE2 2.71Å; E851-T853 PolarHBondContact O-N 3.31Å; E851-Y854 PolarHBondContact O-N 2.84Å; E851-E855 PolarHBondContact O-N 2.93Å; E851-E855 VanDerWaalsContact O-N 3.09Å
852	A	68	Low	72	Confident	3 Å²	3	44.1 Å²	44.1	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-23.7	171.8	0	0	0	0	0	113.6	L825 A848 V850 Q856 L862	L825-A852 HydrophobicContact CD2-CB 4.27Å; A848-A852 WeakPolarHBondContact O-CB 3.35Å; A848-A852 PolarHBondContact O-N 3.18Å; V850-A852 PolarHBondContact O-N 2.68Å; A852-Q856 WeakPolarHBondContact O-CG 3.34Å; A852-Q856 PolarHBondContact O-NE2 3.23Å; A852-L862 HydrophobicContact CB-CD2 4.46Å
853	T	71.2	Confident	72.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-77.5	-31.6	169	76.8	0	0	0	0	113	I849 V850 E851 Q856 L898 N899 V902	I849-T853 VanDerWaalsContact O-CG2 3.28Å; I849-T853 WeakPolarHBondContact O-CG2 3.42Å; I849-T853 PolarHBondContact O-N 3.11Å; V850-T853 WeakPolarHBondContact O-CA 3.49Å; V850-T853 WeakPolarHBondContact O-CB 3.34Å; V850-T853 PolarHBondContact O-N 2.85Å; V850-T853 PolarHBondContact O-OG1 2.82Å; E851-T853 PolarHBondContact O-N 3.31Å; T853-Q856 PolarHBondContact O-N 2.66Å; T853-L898 HydrophobicContact CG2-CB 4.28Å; T853-L898 HydrophobicContact CG2-CD2 3.96Å; T853-N899 WeakPolarHBondContact O-CB 3.5Å; T853-N899 PolarHBondContact OG1-N 3.32Å; T853-N899 VanDerWaalsContact OG1-N 3.15Å; T853-V902 HydrophobicContact CG2-CG2 3.45Å; T853-V902 VanDerWaalsContact CG2-CG2 3.45Å
854	Y	67.2	Low	72.8	Confident	119 Å²	119	36.7 Å²	36.7	47%	0.467	20%	0.195	S	C	.	.	H	α-helix	trans	-70.8	-32.7	178	-84	-75.3	0	0	0	112.8	V850 E851 N899	V850-Y854 HydrophobicContact CG1-CD2 3.91Å; V850-Y854 HydrophobicContact CG1-CE2 3.69Å; V850-Y854 WeakPolarHBondContact O-CD2 3.41Å; V850-Y854 PolarHBondContact O-N 3.42Å; V850-Y854 VanDerWaalsContact O-N 3.16Å; E851-Y854 PolarHBondContact O-N 2.84Å; Y854-N899 HydrophobicContact CD1-CB 4.33Å; Y854-N899 WeakPolarHBondContact CD1-ND2 3.24Å
855	E	58.8	Low	73.6	Confident	88 Å²	88	35.8 Å²	35.8	41%	0.411	19%	0.187	S	C	.	.	S	Bend	trans	-75.3	-19	173.3	-68.3	-173.2	175.2	0	0	114.5	R828 E851	R828-E855 VanDerWaalsContact CB-OE2 3.24Å; R828-E855 WeakPolarHBondContact CB-OE2 3.47Å; R828-E855 WeakPolarHBondContact CD-OE2 3.23Å; E851-E855 PolarHBondContact O-N 2.93Å; E851-E855 VanDerWaalsContact O-N 3.09Å
856	Q	61	Low	74	Confident	8 Å²	8	35.5 Å²	35.5	4%	0.037	19%	0.186	C	C	.	.	S	Bend	trans	-89.6	147.9	-178.5	-79.9	173.6	81.8	0	0	111	A852 T853 C900	A852-Q856 WeakPolarHBondContact O-CG 3.34Å; A852-Q856 PolarHBondContact O-NE2 3.23Å; T853-Q856 PolarHBondContact O-N 2.66Å; Q856-C900 HydrophobicContact CB-CB 4.32Å
857	S	62.5	Low	74.2	Confident	63 Å²	63	33.9 Å²	33.9	44%	0.441	18%	0.179	S	C	.	.			trans	-63.2	146.5	168.5	68.1	0	0	0	0	109.2	Q859 Q860	S857-Q859 PolarHBondContact O-N 3.3Å; S857-Q860 PolarHBondContact O-N 2.69Å
858	S	63.6	Low	74.2	Confident	81 Å²	81	30.7 Å²	30.7	57%	0.566	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-14.8	177.4	55.1	0	0	0	0	113.6	N899	S858-N899 WeakPolarHBondContact CA-O 3.16Å; S858-N899 WeakPolarHBondContact CB-O 3.38Å
859	Q	63.6	Low	74.4	Confident	90 Å²	90	30.6 Å²	30.6	42%	0.421	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-32.8	173	-68.6	174.1	-15.7	0	0	113	Q750 V796 S857 P861	Q750-Q859 PolarHBondContact NE2-O 2.68Å; V796-Q859 WeakPolarHBondContact CG1-O 3.38Å; V796-Q859 HydrophobicContact CG2-CB 4.07Å; S857-Q859 PolarHBondContact O-N 3.3Å; Q859-P861 WeakPolarHBondContact O-CD 3.44Å
860	Q	70.4	Confident	74.1	Confident	56 Å²	56	31.4 Å²	31.4	26%	0.262	16%	0.163	S	C	.	.	S	Bend	trans	-88.4	112.6	-169.8	-173.9	169.7	37.4	0	0	113	V796 N797 S857 C900	V796-Q860 HydrophobicContact CG1-CB 4.37Å; N797-Q860 WeakPolarHBondContact O-CG 3.38Å; N797-Q860 PolarHBondContact O-NE2 2.96Å; S857-Q860 PolarHBondContact O-N 2.69Å; Q860-C900 VanDerWaalsContact O-CB 3.22Å; Q860-C900 WeakPolarHBondContact O-CB 3.47Å; Q860-C900 PolarHBondContact O-SG 3.4Å; Q860-C900 VanDerWaalsContact O-SG 3.38Å
861	P	78.1	Confident	73.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.			trans	-77.3	144.4	178.3	31.9	-35.6	0	0	0	112.4	T746 M789 P798 R799 Q859 P901	T746-P861 HydrophobicContact CG2-CB 4.4Å; T746-P861 HydrophobicContact CG2-CG 4.32Å; M789-P861 HydrophobicContact SD-CG 4.22Å; P798-P861 HydrophobicContact CB-CG 3.76Å; R799-P861 PolarHBondContact N-O 2.62Å; Q859-P861 WeakPolarHBondContact O-CD 3.44Å; P861-P901 WeakPolarHBondContact CA-O 3.38Å; P861-P901 HydrophobicContact CB-CG 4.05Å
862	L	83.2	Confident	74.1	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.2	170.4	178.4	62.6	0	0	0	109.7	R799 I801 A852 I864 P901 V902 I903	R799-L862 HydrophobicContact CB-CD1 4.25Å; R799-L862 HydrophobicContact CG-CD1 4.2Å; I801-L862 HydrophobicContact CD1-CD1 4.44Å; A852-L862 HydrophobicContact CB-CD2 4.46Å; L862-I864 HydrophobicContact CD2-CD1 4.5Å; L862-I864 HydrophobicContact CG-CG1 4.47Å; L862-P901 PolarHBondContact N-O 3.33Å; L862-V902 HydrophobicContact CB-CG2 4.42Å; L862-V902 HydrophobicContact CD2-CG2 4.44Å; L862-V902 WeakPolarHBondContact O-CA 3.47Å; L862-I903 PolarHBondContact O-N 3.13Å
863	I	86.2	Confident	74	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	119.6	-175.3	-52.9	179.9	0	0	0	109.2	I742 L784 M789 P798 R799 V800 I801 I865 I903 I905	I742-I863 HydrophobicContact CG2-CD1 3.99Å; L784-I863 HydrophobicContact CD1-CD1 3.88Å; L784-I863 HydrophobicContact CD1-CG2 4.37Å; L784-I863 HydrophobicContact CD2-CD1 3.95Å; L784-I863 HydrophobicContact CG-CD1 4.48Å; M789-I863 HydrophobicContact CE-CD1 4.38Å; P798-I863 HydrophobicContact CB-CD1 3.96Å; R799-I863 PolarHBondContact O-N 3.37Å; V800-I863 CarbonylContact C-O 3.55Å; V800-I863 WeakPolarHBondContact CA-O 3.16Å; V800-I863 HydrophobicContact CG2-CB 4.47Å; I801-I863 PolarHBondContact N-O 3.32Å; I863-I865 HydrophobicContact CG2-CD1 4.4Å; I863-I865 HydrophobicContact CG2-CG1 4.11Å; I863-I903 WeakPolarHBondContact CA-O 3.49Å; I863-I903 HydrophobicContact CG1-CB 4.42Å; I863-I905 HydrophobicContact CG2-CD1 4.17Å
864	I	87.7	Confident	73.7	Confident	6 Å²	6	29.9 Å²	29.9	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.6	-179.2	-61.2	173.1	0	0	0	108.8	I801 I849 L862 L866 I903 F904 I905	I801-I864 HydrophobicContact CB-CG1 4.38Å; I801-I864 HydrophobicContact CD1-CG1 4.43Å; I849-I864 HydrophobicContact CD1-CD1 4.41Å; I849-I864 HydrophobicContact CG1-CD1 4.34Å; L862-I864 HydrophobicContact CD2-CD1 4.5Å; L862-I864 HydrophobicContact CG-CG1 4.47Å; I864-L866 HydrophobicContact CG2-CD2 4.3Å; I864-L866 HydrophobicContact CG2-CG 4.36Å; I864-I903 PolarHBondContact N-O 3.12Å; I864-F904 HydrophobicContact CB-CD1 4.33Å; I864-F904 HydrophobicContact CB-CE1 4.2Å; I864-F904 HydrophobicContact CB-CE2 4.48Å; I864-F904 HydrophobicContact CB-CZ 4.28Å; I864-F904 HydrophobicContact CD1-CE1 4.4Å; I864-F904 HydrophobicContact CD1-CE2 3.82Å; I864-F904 HydrophobicContact CD1-CZ 3.69Å; I864-F904 HydrophobicContact CG2-CD1 4.2Å; I864-F904 HydrophobicContact CG2-CE1 3.82Å; I864-F904 HydrophobicContact CG2-CZ 4.19Å; I864-F904 WeakPolarHBondContact O-CA 3.41Å; I864-I905 PolarHBondContact O-N 2.96Å
865	I	89.7	Confident	73.4	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.9	-176.4	-53.5	175.6	0	0	0	109.3	L777 A781 V800 I801 Y802 R803 I863 I905	L777-I865 HydrophobicContact CB-CG2 4.34Å; L777-I865 HydrophobicContact CD1-CG2 3.99Å; L777-I865 HydrophobicContact CD2-CG2 3.95Å; L777-I865 HydrophobicContact CG-CG2 4.33Å; A781-I865 HydrophobicContact CB-CD1 3.94Å; V800-I865 HydrophobicContact CG1-CD1 4.02Å; I801-I865 PolarHBondContact O-N 2.82Å; Y802-I865 HydrophobicContact CD2-CB 3.97Å; Y802-I865 HydrophobicContact CD2-CD1 4.49Å; Y802-I865 HydrophobicContact CD2-CG2 3.72Å; Y802-I865 HydrophobicContact CE2-CG2 4.07Å; R803-I865 PolarHBondContact N-O 3.26Å; I863-I865 HydrophobicContact CG2-CD1 4.4Å; I863-I865 HydrophobicContact CG2-CG1 4.11Å; I865-I905 WeakPolarHBondContact CA-O 3.25Å; I865-I905 HydrophobicContact CG1-CB 4.28Å; I865-I905 HydrophobicContact CG1-CD1 4.25Å; I865-I905 HydrophobicContact CG1-CG1 4.44Å
866	L	88.3	Confident	73.4	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	110.4	177.6	-56.3	178.4	0	0	0	109.5	R803 L821 I864 W886 F904 I905 I906 S907	R803-L866 HydrophobicContact CB-CD2 4.11Å; L821-L866 HydrophobicContact CD1-CD2 4.39Å; I864-L866 HydrophobicContact CG2-CD2 4.3Å; I864-L866 HydrophobicContact CG2-CG 4.36Å; L866-W886 HydrophobicContact CD1-CH2 3.92Å; L866-W886 HydrophobicContact CD1-CZ3 3.91Å; L866-F904 HydrophobicContact CD1-CE1 4.48Å; L866-I905 PolarHBondContact N-O 3.35Å; L866-I906 HydrophobicContact CB-CG1 4.37Å; L866-I906 HydrophobicContact CD1-CD1 4.34Å; L866-I906 WeakPolarHBondContact O-CA 3.37Å; L866-S907 PolarHBondContact O-N 3.19Å
867	D	85.3	Confident	73.1	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.7	-172.9	-166.7	12.1	0	0	0	110.8	S774 L777 Y802 R803 M804 I805 S907	S774-D867 WeakPolarHBondContact CA-OD2 3.13Å; S774-D867 WeakPolarHBondContact CB-OD2 3.5Å; S774-D867 PolarHBondContact OG-OD1 2.8Å; S774-D867 PolarHBondContact OG-OD2 2.82Å; S774-D867 VanDerWaalsContact OG-OD2 3.06Å; L777-D867 HydrophobicContact CD1-CB 4.08Å; Y802-D867 HydrophobicContact CE2-CB 4.21Å; Y802-D867 PolarHBondContact OH-OD2 2.84Å; Y802-D867 VanDerWaalsContact OH-OD2 3.07Å; R803-D867 PolarHBondContact O-N 2.96Å; M804-D867 HydrophobicContact CG-CB 4.13Å; I805-D867 WeakPolarHBondContact CB-O 3.41Å; I805-D867 PolarHBondContact N-O 3.37Å; D867-S907 WeakPolarHBondContact CA-OG 3.47Å; D867-S907 WeakPolarHBondContact OD1-CB 3.49Å; D867-S907 PolarHBondContact OD1-OG 2.91Å
868	G	75.7	Confident	72.6	Confident	6 Å²	6	34.2 Å²	34.2	6%	0.062	17%	0.166	C	C	.	.			trans	83.1	44.5	178.7	0	0	0	0	0	115	E870 N871 S907	G868-E870 PolarHBondContact O-N 3.23Å; G868-E870 VanDerWaalsContact O-N 3.14Å; G868-N871 VanDerWaalsContact O-CB 3.23Å; G868-N871 WeakPolarHBondContact O-CB 3.41Å; G868-N871 PolarHBondContact O-N 3.06Å; G868-S907 PolarHBondContact N-OG 3.17Å
869	I	78.2	Confident	72.2	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-59.9	-26	-175.7	-166.8	167.4	0	0	0	114.1	I805 N871 I872 W886 I887 I906 T908 F918 F922	I805-I869 HydrophobicContact CD1-CB 4.25Å; I805-I869 HydrophobicContact CD1-CG1 4.41Å; I869-N871 PolarHBondContact O-N 2.93Å; I869-N871 VanDerWaalsContact O-N 3.16Å; I869-I872 HydrophobicContact CG1-CD1 4.01Å; I869-I872 WeakPolarHBondContact O-CG1 3.29Å; I869-W886 HydrophobicContact CD1-CH2 4.22Å; I869-W886 HydrophobicContact CD1-CZ2 4.04Å; I869-I887 HydrophobicContact CD1-CD1 3.7Å; I869-I906 HydrophobicContact CB-CG2 4.17Å; I869-I906 HydrophobicContact CD1-CG2 4.31Å; I869-I906 HydrophobicContact CG2-CG2 3.85Å; I869-T908 HydrophobicContact CG2-CG2 3.68Å; I869-F918 HydrophobicContact CB-CZ 4.4Å; I869-F918 HydrophobicContact CD1-CZ 4.15Å; I869-F918 HydrophobicContact CG1-CZ 3.99Å; I869-F918 HydrophobicContact CG2-CE1 3.76Å; I869-F918 HydrophobicContact CG2-CZ 3.62Å; I869-F922 HydrophobicContact CD1-CE2 4.34Å; I869-F922 HydrophobicContact CD1-CZ 4.49Å
870	E	71.1	Confident	71.6	Confident	17 Å²	17	36.5 Å²	36.5	8%	0.079	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-62	-10.1	168.7	58.1	-90.5	-168.6	0	0	115.2	G868 K876 I909 I915 Q1158	G868-E870 PolarHBondContact O-N 3.23Å; G868-E870 VanDerWaalsContact O-N 3.14Å; E870-K876 WeakPolarHBondContact O-CE 3.48Å; E870-I909 HydrophobicContact CG-CD1 3.85Å; E870-I909 HydrophobicContact CG-CG1 4.36Å; E870-I909 WeakPolarHBondContact OE1-CG1 3.32Å; E870-I915 HydrophobicContact CB-CD1 3.78Å; E870-I915 HydrophobicContact CG-CD1 4.18Å; E870-Q1158 PolarHBondContact O-NE2 2.94Å
871	N	71.2	Confident	70.7	Confident	25 Å²	25	39.7 Å²	39.7	13%	0.134	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-80.4	-25.6	-177.9	-75.3	-22.9	0	0	0	114.2	I805 L812 G868 I869 K876 Q1158	I805-N871 HydrophobicContact CB-CB 4.48Å; I805-N871 HydrophobicContact CG2-CB 3.77Å; I805-N871 WeakPolarHBondContact O-CB 3.45Å; I805-N871 PolarHBondContact O-ND2 3.42Å; L812-N871 HydrophobicContact CD2-CB 4.35Å; G868-N871 VanDerWaalsContact O-CB 3.23Å; G868-N871 WeakPolarHBondContact O-CB 3.41Å; G868-N871 PolarHBondContact O-N 3.06Å; I869-N871 PolarHBondContact O-N 2.93Å; I869-N871 VanDerWaalsContact O-N 3.16Å; N871-K876 PolarHBondContact O-NZ 3.21Å; N871-Q1158 PolarHBondContact OD1-NE2 3.42Å
872	I	75.1	Confident	69.8	Low	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.186	C	C	.	.			trans	-49.1	134.5	-178.7	-60.9	177.2	0	0	0	111.1	I805 L812 L814 L817 I869 E874 C875 F882 W886	I805-I872 HydrophobicContact CD1-CD1 4.29Å; I805-I872 HydrophobicContact CD1-CG1 4.36Å; I805-I872 HydrophobicContact CG2-CG1 3.7Å; L812-I872 WeakPolarHBondContact O-CA 3.37Å; L814-I872 HydrophobicContact CB-CG2 4.19Å; L814-I872 HydrophobicContact CD1-CD1 4.44Å; L817-I872 HydrophobicContact CD2-CD1 4.36Å; I869-I872 HydrophobicContact CG1-CD1 4.01Å; I869-I872 WeakPolarHBondContact O-CG1 3.29Å; I872-E874 HydrophobicContact CG2-CB 4.24Å; I872-E874 WeakPolarHBondContact CG2-OE2 3.48Å; I872-C875 HydrophobicContact CB-CB 4.43Å; I872-C875 WeakPolarHBondContact O-CB 3.34Å; I872-C875 PolarHBondContact O-N 2.91Å; I872-F882 HydrophobicContact CD1-CZ 4.27Å; I872-F882 HydrophobicContact CG2-CE2 4.11Å; I872-F882 HydrophobicContact CG2-CZ 4.41Å; I872-W886 HydrophobicContact CD1-CZ2 4.34Å
873	E	66.4	Low	68.8	Low	44 Å²	44	41.4 Å²	41.4	21%	0.206	19%	0.194	C	C	.	.	H	α-helix	trans	-65.8	-40	-177.8	-76.8	-156.6	146.1	0	0	112.1	L812 C875 K876 Q877 R1054	L812-E873 HydrophobicContact CB-CG 4.45Å; L812-E873 PolarHBondContact O-N 2.88Å; E873-C875 VanDerWaalsContact C-N 3.25Å; E873-C875 PolarHBondContact O-N 3.17Å; E873-K876 WeakPolarHBondContact O-CB 3.46Å; E873-K876 PolarHBondContact O-N 2.82Å; E873-Q877 WeakPolarHBondContact O-CG 3.41Å; E873-Q877 PolarHBondContact O-N 3.19Å; E873-R1054 IonicContact OE1-CZ 2.66Å; E873-R1054 IonicContact OE1-NE 3.05Å; E873-R1054 PolarHBondContact OE1-NE 3.48Å; E873-R1054 IonicContact OE1-NH2 3.01Å; E873-R1054 IonicContact OE2-CZ 2.65Å; E873-R1054 IonicContact OE2-NE 2.66Å; E873-R1054 IonicContact OE2-NH2 3.28Å; E873-R1054 PolarHBondContact OE2-NH2 3.41Å
874	E	63.9	Low	68	Low	22 Å²	22	41.7 Å²	41.7	10%	0.103	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-27.7	179.8	-61.7	92.4	146.9	0	0	112.7	L814 I872 K876 R878 F882	L814-E874 WeakPolarHBondContact CB-OE1 3.1Å; L814-E874 PolarHBondContact N-OE1 2.83Å; L814-E874 PolarHBondContact N-OE2 2.84Å; I872-E874 HydrophobicContact CG2-CB 4.24Å; I872-E874 WeakPolarHBondContact CG2-OE2 3.48Å; E874-K876 VanDerWaalsContact C-N 3.3Å; E874-K876 PolarHBondContact O-N 3.5Å; E874-R878 WeakPolarHBondContact O-CB 3.36Å; E874-R878 PolarHBondContact O-N 2.84Å; E874-F882 HydrophobicContact CB-CD2 4.08Å; E874-F882 HydrophobicContact CB-CE2 3.95Å
875	C	62.1	Low	67.1	Low	15 Å²	15	43.9 Å²	43.9	10%	0.101	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-42.6	170.6	-74	0	0	0	0	111.2	I872 E873 K879 F882	I872-C875 HydrophobicContact CB-CB 4.43Å; I872-C875 WeakPolarHBondContact O-CB 3.34Å; I872-C875 PolarHBondContact O-N 2.91Å; E873-C875 VanDerWaalsContact C-N 3.25Å; E873-C875 PolarHBondContact O-N 3.17Å; C875-K879 PolarHBondContact O-N 2.79Å; C875-F882 HydrophobicContact CB-CD2 4.3Å; C875-F882 HydrophobicContact CB-CE2 4.5Å; C875-F882 HydrophobicContact CB-CG 4.48Å; C875-F882 WeakPolarHBondContact SG-CE1 3.43Å; C875-F882 WeakPolarHBondContact SG-CE2 3.35Å; C875-F882 WeakPolarHBondContact SG-CZ 3.21Å
876	K	58.1	Low	66.3	Low	106 Å²	106	44 Å²	44	46%	0.461	21%	0.212	S	C	.	.	H	α-helix	trans	-77.6	-35	-176.4	-68	160	-176.5	157.7	0	111.7	E870 N871 E873 E874	E870-K876 WeakPolarHBondContact O-CE 3.48Å; N871-K876 PolarHBondContact O-NZ 3.21Å; E873-K876 WeakPolarHBondContact O-CB 3.46Å; E873-K876 PolarHBondContact O-N 2.82Å; E874-K876 VanDerWaalsContact C-N 3.3Å; E874-K876 PolarHBondContact O-N 3.5Å
877	Q	55.4	Low	65.6	Low	115 Å²	115	44.2 Å²	44.2	54%	0.537	21%	0.213	S	C	.	.	H	α-helix	trans	-74.1	-47.2	177.9	-65.3	171.6	19.5	0	0	112.3	E873	E873-Q877 WeakPolarHBondContact O-CG 3.41Å; E873-Q877 PolarHBondContact O-N 3.19Å
878	R	51.4	Low	65	Low	134 Å²	134	44.2 Å²	44.2	51%	0.506	21%	0.213	S	C	.	.	H	α-helix	trans	-90.9	-12.7	-170	-60.4	-173.8	179.5	-174.3	1.2	115	E874 E880 N881	E874-R878 WeakPolarHBondContact O-CB 3.36Å; E874-R878 PolarHBondContact O-N 2.84Å; R878-E880 PolarHBondContact O-N 2.82Å; R878-N881 HydrophobicContact CB-CB 4.37Å; R878-N881 PolarHBondContact O-N 2.77Å
879	K	55.7	Low	64.8	Low	126 Å²	126	44.3 Å²	44.3	55%	0.548	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	47.5	-110.6	-178.5	-61.8	179.3	-178.9	174.8	0	111.8	C875 N881 F882 I921	C875-K879 PolarHBondContact O-N 2.79Å; K879-N881 VanDerWaalsContact C-N 3.27Å; K879-N881 PolarHBondContact O-N 3.13Å; K879-F882 PolarHBondContact O-N 2.89Å; K879-I921 WeakPolarHBondContact O-CD1 3.34Å
880	E	51	Low	64.3	Low	92 Å²	92	46.1 Å²	46.1	43%	0.43	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-69.7	-21.1	-178.4	-59.4	-160.7	127.4	0	0	113.6	R878 F882 Y917 K920	R878-E880 PolarHBondContact O-N 2.82Å; E880-F882 PolarHBondContact O-N 2.86Å; E880-Y917 HydrophobicContact CG-CD1 3.51Å; E880-Y917 HydrophobicContact CG-CE1 4.18Å; E880-Y917 HydrophobicContact CG-CG 4.37Å; E880-Y917 WeakPolarHBondContact OE1-CD1 3.34Å; E880-K920 IonicContact OE1-NZ 2.73Å; E880-K920 PolarHBondContact OE1-NZ 3.2Å
881	N	50.7	Low	64.4	Low	124 Å²	124	46.4 Å²	46.4	66%	0.663	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-92.7	20.6	179.3	-69.4	-25.6	0	0	0	113.8	R878 K879 P883	R878-N881 HydrophobicContact CB-CB 4.37Å; R878-N881 PolarHBondContact O-N 2.77Å; K879-N881 VanDerWaalsContact C-N 3.27Å; K879-N881 PolarHBondContact O-N 3.13Å; N881-P883 WeakPolarHBondContact O-CD 3.39Å
882	F	60.4	Low	64.2	Low	8 Å²	8	46.2 Å²	46.2	4%	0.035	22%	0.224	C	C	.	.			trans	-71.4	123.1	176.1	178.4	-107.9	0	0	0	111.3	L814 I872 E874 C875 K879 E880 I884 F918	L814-F882 HydrophobicContact CD2-CE2 3.94Å; L814-F882 HydrophobicContact CD2-CZ 4.07Å; I872-F882 HydrophobicContact CD1-CZ 4.27Å; I872-F882 HydrophobicContact CG2-CE2 4.11Å; I872-F882 HydrophobicContact CG2-CZ 4.41Å; E874-F882 HydrophobicContact CB-CD2 4.08Å; E874-F882 HydrophobicContact CB-CE2 3.95Å; C875-F882 HydrophobicContact CB-CD2 4.3Å; C875-F882 HydrophobicContact CB-CE2 4.5Å; C875-F882 HydrophobicContact CB-CG 4.48Å; C875-F882 WeakPolarHBondContact SG-CE1 3.43Å; C875-F882 WeakPolarHBondContact SG-CE2 3.35Å; C875-F882 WeakPolarHBondContact SG-CZ 3.21Å; K879-F882 PolarHBondContact O-N 2.89Å; E880-F882 PolarHBondContact O-N 2.86Å; F882-I884 HydrophobicContact CD1-CD1 4.13Å; F882-I884 HydrophobicContact CD1-CG1 3.52Å; F882-I884 HydrophobicContact CE1-CG1 3.86Å; F882-I884 PolarHBondContact O-N 3.34Å; F882-F918 HydrophobicContact CD1-CD2 4.31Å; F882-F918 AromaticContact CD1-CE2 3.96Å; F882-F918 HydrophobicContact CD1-CE2 3.96Å; F882-F918 AromaticContact CE1-CE2 3.99Å; F882-F918 HydrophobicContact CE1-CE2 3.99Å
883	P	61.6	Low	63.5	Low	27 Å²	27	51.1 Å²	51.1	18%	0.175	25%	0.245	C	C	.	.			trans	-76.3	100.9	-175.9	31.1	-35.3	0	0	0	111.1	L814 Y838 N881 S885 W886	L814-P883 HydrophobicContact CD2-CG 4.21Å; Y838-P883 HydrophobicContact CE1-CB 4.26Å; Y838-P883 HydrophobicContact CE2-CB 4.43Å; Y838-P883 HydrophobicContact CE2-CG 4.32Å; Y838-P883 PolarHBondContact OH-O 3.03Å; N881-P883 WeakPolarHBondContact O-CD 3.39Å; P883-S885 VanDerWaalsContact C-N 3.27Å; P883-S885 PolarHBondContact O-N 2.94Å; P883-W886 PolarHBondContact O-NE1 3.33Å
884	I	69.7	Low	63.2	Low	7 Å²	7	57.3 Å²	57.3	4%	0.036	27%	0.268	C	S	.	.			trans	-82.4	-4.8	176.9	-63.2	-161.2	0	0	0	112.5	F882 W886 I887 F889 F918 I921 F922	F882-I884 HydrophobicContact CD1-CD1 4.13Å; F882-I884 HydrophobicContact CD1-CG1 3.52Å; F882-I884 HydrophobicContact CE1-CG1 3.86Å; F882-I884 PolarHBondContact O-N 3.34Å; I884-W886 VanDerWaalsContact C-N 3.25Å; I884-W886 PolarHBondContact O-N 3.45Å; I884-W886 VanDerWaalsContact O-N 3.11Å; I884-I887 PolarHBondContact O-N 2.78Å; I884-F889 HydrophobicContact CG2-CD2 3.87Å; I884-F889 HydrophobicContact CG2-CE2 3.35Å; I884-F889 HydrophobicContact CG2-CZ 4.31Å; I884-F918 HydrophobicContact CD1-CE2 4.13Å; I884-I921 HydrophobicContact CD1-CB 4.11Å; I884-I921 HydrophobicContact CD1-CG2 3.55Å; I884-I921 HydrophobicContact CG1-CG2 4.12Å; I884-F922 HydrophobicContact CD1-CD2 3.66Å; I884-F922 HydrophobicContact CD1-CE2 4.06Å; I884-F922 HydrophobicContact CG2-CE2 4.49Å
885	S	67.9	Low	63.2	Low	52 Å²	52	60.8 Å²	60.8	36%	0.364	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.1	-169.1	60.7	0	0	0	0	116.5	Y838 R842 P883	Y838-S885 PolarHBondContact OH-OG 2.89Å; R842-S885 PolarHBondContact NE-O 3.34Å; P883-S885 VanDerWaalsContact C-N 3.27Å; P883-S885 PolarHBondContact O-N 2.94Å
886	W	73.2	Confident	63.4	Low	3 Å²	3	61.6 Å²	61.6	1%	0.011	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-30.2	173	59.8	-87.5	0	0	0	112.5	L814 L818 Y838 L845 H846 L866 I869 I872 P883 I884	L814-W886 HydrophobicContact CD1-CD2 4.07Å; L814-W886 HydrophobicContact CD1-CG 4.35Å; L814-W886 HydrophobicContact CD1-CZ2 3.82Å; L818-W886 HydrophobicContact CD1-CB 4.23Å; L818-W886 HydrophobicContact CD1-CG 4.38Å; L818-W886 HydrophobicContact CD2-CB 4.11Å; L818-W886 HydrophobicContact CD2-CD2 4.08Å; L818-W886 HydrophobicContact CD2-CE3 3.73Å; L818-W886 HydrophobicContact CD2-CG 4.27Å; L818-W886 HydrophobicContact CD2-CZ3 4.45Å; Y838-W886 HydrophobicContact CE2-CB 4.14Å; Y838-W886 AromaticContact CE2-CD1 3.98Å; Y838-W886 HydrophobicContact CE2-CG 4.4Å; Y838-W886 PolarHBondContact OH-N 3.37Å; L845-W886 HydrophobicContact CD2-CE3 4.4Å; H846-W886 PolarHBondContact NE2-O 2.84Å; L866-W886 HydrophobicContact CD1-CH2 3.92Å; L866-W886 HydrophobicContact CD1-CZ3 3.91Å; I869-W886 HydrophobicContact CD1-CH2 4.22Å; I869-W886 HydrophobicContact CD1-CZ2 4.04Å; I872-W886 HydrophobicContact CD1-CZ2 4.34Å; P883-W886 PolarHBondContact O-NE1 3.33Å; I884-W886 VanDerWaalsContact C-N 3.25Å; I884-W886 PolarHBondContact O-N 3.45Å; I884-W886 VanDerWaalsContact O-N 3.11Å
887	I	74.2	Confident	63.7	Low	5 Å²	5	61 Å²	61	3%	0.026	29%	0.289	C	S	.	.	S	Bend	trans	-73.5	130.6	171.1	-60	171.6	0	0	0	108	F762 I869 I884 F889 I906 F922	F762-I887 HydrophobicContact CE2-CG2 3.96Å; I869-I887 HydrophobicContact CD1-CD1 3.7Å; I884-I887 PolarHBondContact O-N 2.78Å; I887-F889 HydrophobicContact CB-CD2 3.76Å; I887-F889 HydrophobicContact CB-CE2 3.47Å; I887-F889 VanDerWaalsContact CB-CE2 3.47Å; I887-F889 HydrophobicContact CB-CZ 4.3Å; I887-F889 HydrophobicContact CD1-CE2 3.94Å; I887-F889 HydrophobicContact CD1-CZ 4.34Å; I887-F889 HydrophobicContact CG1-CE2 4.28Å; I887-F889 HydrophobicContact CG2-CD2 3.69Å; I887-F889 HydrophobicContact CG2-CE1 4.38Å; I887-F889 HydrophobicContact CG2-CE2 3.36Å; I887-F889 HydrophobicContact CG2-CG 4.32Å; I887-F889 HydrophobicContact CG2-CZ 3.75Å; I887-F889 PolarHBondContact O-N 2.82Å; I887-I906 HydrophobicContact CD1-CD1 3.86Å; I887-F922 HydrophobicContact CD1-CZ 4.35Å
888	P	73.1	Confident	64.4	Low	1 Å²	1	55.8 Å²	55.8	1%	0.006	26%	0.264	C	S	.	.			trans	-76.4	53.5	-174.3	31	-36.3	0	0	0	114	F760 S890 W891 F904	F760-P888 HydrophobicContact CE2-CG 4.17Å; F760-P888 HydrophobicContact CZ-CG 4.17Å; P888-S890 PolarHBondContact O-N 3.41Å; P888-S890 VanDerWaalsContact O-N 3.16Å; P888-W891 HydrophobicContact CB-CB 4.35Å; P888-W891 HydrophobicContact CB-CD2 3.49Å; P888-W891 VanDerWaalsContact CB-CD2 3.49Å; P888-W891 HydrophobicContact CB-CE3 3.95Å; P888-W891 HydrophobicContact CB-CG 3.69Å; P888-W891 HydrophobicContact CB-CZ2 4.28Å; P888-W891 HydrophobicContact CG-CD2 4.2Å; P888-W891 HydrophobicContact CG-CE3 4.13Å; P888-W891 HydrophobicContact CG-CZ3 4.47Å; P888-W891 WeakPolarHBondContact O-CB 3.01Å; P888-W891 PolarHBondContact O-N 3.38Å; P888-F904 HydrophobicContact CG-CE2 4.21Å; P888-F904 HydrophobicContact CG-CZ 4.35Å
889	F	71.3	Confident	65.3	Low	8 Å²	8	52.9 Å²	52.9	4%	0.035	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.5	173.4	-73	-72.8	0	0	0	113	F762 I884 I887 W891 I892 F922 I926 F929	F762-F889 HydrophobicContact CE1-CE1 4.01Å; F762-F889 HydrophobicContact CE2-CD1 4.5Å; F762-F889 AromaticContact CE2-CE1 3.78Å; F762-F889 HydrophobicContact CE2-CE1 3.78Å; F762-F889 HydrophobicContact CE2-CZ 4.06Å; F762-F889 HydrophobicContact CZ-CD1 4.5Å; F762-F889 AromaticContact CZ-CE1 3.46Å; F762-F889 HydrophobicContact CZ-CE1 3.46Å; F762-F889 VanDerWaalsContact CZ-CE1 3.46Å; F762-F889 AromaticContact CZ-CZ 3.73Å; F762-F889 HydrophobicContact CZ-CZ 3.73Å; I884-F889 HydrophobicContact CG2-CD2 3.87Å; I884-F889 HydrophobicContact CG2-CE2 3.35Å; I884-F889 HydrophobicContact CG2-CZ 4.31Å; I887-F889 HydrophobicContact CB-CD2 3.76Å; I887-F889 HydrophobicContact CB-CE2 3.47Å; I887-F889 VanDerWaalsContact CB-CE2 3.47Å; I887-F889 HydrophobicContact CB-CZ 4.3Å; I887-F889 HydrophobicContact CD1-CE2 3.94Å; I887-F889 HydrophobicContact CD1-CZ 4.34Å; I887-F889 HydrophobicContact CG1-CE2 4.28Å; I887-F889 HydrophobicContact CG2-CD2 3.69Å; I887-F889 HydrophobicContact CG2-CE1 4.38Å; I887-F889 HydrophobicContact CG2-CE2 3.36Å; I887-F889 HydrophobicContact CG2-CG 4.32Å; I887-F889 HydrophobicContact CG2-CZ 3.75Å; I887-F889 PolarHBondContact O-N 2.82Å; F889-W891 PolarHBondContact O-N 2.85Å; F889-I892 HydrophobicContact CD1-CD1 4.14Å; F889-I892 WeakPolarHBondContact O-CB 3.5Å; F889-I892 WeakPolarHBondContact O-CG1 3.01Å; F889-I892 PolarHBondContact O-N 3.24Å; F889-F922 HydrophobicContact CE1-CE1 4.31Å; F889-F922 HydrophobicContact CE2-CZ 4.43Å; F889-F922 HydrophobicContact CZ-CD1 4.36Å; F889-F922 AromaticContact CZ-CE1 3.73Å; F889-F922 HydrophobicContact CZ-CE1 3.73Å; F889-F922 HydrophobicContact CZ-CE2 4.3Å; F889-F922 AromaticContact CZ-CZ 3.69Å; F889-F922 HydrophobicContact CZ-CZ 3.69Å; F889-I926 HydrophobicContact CD1-CD1 4.47Å; F889-I926 HydrophobicContact CD1-CG1 3.85Å; F889-I926 HydrophobicContact CE1-CD1 3.76Å; F889-I926 HydrophobicContact CE1-CG1 3.61Å; F889-I926 HydrophobicContact CZ-CD1 4.43Å; F889-I926 HydrophobicContact CZ-CG1 4.43Å; F889-F929 HydrophobicContact CB-CD2 4.07Å; F889-F929 HydrophobicContact CB-CE2 3.96Å
890	S	67.9	Low	66.1	Low	37 Å²	37	46.9 Å²	46.9	26%	0.259	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.4	172.8	53.5	0	0	0	0	112.6	P888 I892 K893 Y894	P888-S890 PolarHBondContact O-N 3.41Å; P888-S890 VanDerWaalsContact O-N 3.16Å; S890-I892 PolarHBondContact O-N 2.76Å; S890-K893 PolarHBondContact O-N 3.3Å; S890-Y894 VanDerWaalsContact O-CD2 3.32Å; S890-Y894 WeakPolarHBondContact O-CD2 3.25Å; S890-Y894 PolarHBondContact O-N 2.9Å
891	W	73.1	Confident	67.3	Low	23 Å²	23	42.5 Å²	42.5	9%	0.087	21%	0.212	C	C	.	.	H	α-helix	trans	-66.9	-21.6	-176.9	-64.2	6.6	0	0	0	113	F760 H846 I849 V850 P888 F889 K893 K895 P896 L898	F760-W891 HydrophobicContact CD1-CB 4.2Å; F760-W891 AromaticContact CD2-CE3 3.79Å; F760-W891 HydrophobicContact CD2-CE3 3.79Å; F760-W891 HydrophobicContact CD2-CZ3 4.48Å; F760-W891 HydrophobicContact CE1-CB 4.3Å; F760-W891 AromaticContact CE2-CE3 3.88Å; F760-W891 HydrophobicContact CE2-CE3 3.88Å; F760-W891 HydrophobicContact CG-CB 4.33Å; H846-W891 HydrophobicContact CB-CZ2 4.18Å; I849-W891 HydrophobicContact CB-CH2 4.04Å; I849-W891 HydrophobicContact CB-CZ3 4.5Å; I849-W891 HydrophobicContact CG2-CH2 3.69Å; I849-W891 HydrophobicContact CG2-CZ3 3.67Å; V850-W891 HydrophobicContact CG2-CH2 3.88Å; V850-W891 HydrophobicContact CG2-CZ2 4.15Å; P888-W891 HydrophobicContact CB-CB 4.35Å; P888-W891 HydrophobicContact CB-CD2 3.49Å; P888-W891 VanDerWaalsContact CB-CD2 3.49Å; P888-W891 HydrophobicContact CB-CE3 3.95Å; P888-W891 HydrophobicContact CB-CG 3.69Å; P888-W891 HydrophobicContact CB-CZ2 4.28Å; P888-W891 HydrophobicContact CG-CD2 4.2Å; P888-W891 HydrophobicContact CG-CE3 4.13Å; P888-W891 HydrophobicContact CG-CZ3 4.47Å; P888-W891 WeakPolarHBondContact O-CB 3.01Å; P888-W891 PolarHBondContact O-N 3.38Å; F889-W891 PolarHBondContact O-N 2.85Å; W891-K893 PolarHBondContact O-N 3.5Å; W891-K895 PolarHBondContact O-N 3.16Å; W891-K895 VanDerWaalsContact O-N 3.1Å; W891-P896 HydrophobicContact CB-CG 4.12Å; W891-P896 HydrophobicContact CD2-CG 3.57Å; W891-P896 HydrophobicContact CE3-CG 3.82Å; W891-P896 HydrophobicContact CG-CG 3.7Å; W891-P896 HydrophobicContact CZ3-CG 4.44Å; W891-L898 HydrophobicContact CZ3-CD2 4.24Å
892	I	66.8	Low	68.7	Low	22 Å²	22	36.6 Å²	36.6	11%	0.113	18%	0.181	C	C	.	.	H	α-helix	trans	-58.3	-34.4	170	-56.3	175.4	0	0	0	110.9	F760 F889 S890	F760-I892 HydrophobicContact CD1-CG1 4.41Å; F760-I892 HydrophobicContact CE1-CG1 3.92Å; F889-I892 HydrophobicContact CD1-CD1 4.14Å; F889-I892 WeakPolarHBondContact O-CB 3.5Å; F889-I892 WeakPolarHBondContact O-CG1 3.01Å; F889-I892 PolarHBondContact O-N 3.24Å; S890-I892 PolarHBondContact O-N 2.76Å
893	K	60.2	Low	69.9	Low	103 Å²	103	36.2 Å²	36.2	45%	0.448	18%	0.179	S	C	.	.	H	α-helix	trans	-99.2	-41.6	-179.4	-175.1	162.4	-177	160.1	0	113.4	S890 W891 F929 S932	S890-K893 PolarHBondContact O-N 3.3Å; W891-K893 PolarHBondContact O-N 3.5Å; K893-F929 HydrophobicContact CB-CD1 4.43Å; K893-F929 HydrophobicContact CD-CD1 4.29Å; K893-S932 PolarHBondContact NZ-OG 2.91Å
894	Y	59.1	Low	71	Confident	174 Å²	174	35.2 Å²	35.2	68%	0.682	17%	0.172	S	C	*	.	H	α-helix	trans	-90.7	-12.5	-171.2	-72.4	-82.9	0	0	0	115.2	S890	S890-Y894 VanDerWaalsContact O-CD2 3.32Å; S890-Y894 WeakPolarHBondContact O-CD2 3.25Å; S890-Y894 PolarHBondContact O-N 2.9Å
895	K	64.2	Low	71.9	Confident	95 Å²	95	34.9 Å²	34.9	41%	0.413	17%	0.17	S	C	.	.			trans	43.8	71	173.8	-56.8	-171	-173.4	-168.6	0	114.6	N758 W891	N758-K895 WeakPolarHBondContact OD1-CD 3.39Å; N758-K895 WeakPolarHBondContact OD1-CE 3.31Å; N758-K895 PolarHBondContact OD1-NZ 3.2Å; W891-K895 PolarHBondContact O-N 3.16Å; W891-K895 VanDerWaalsContact O-N 3.1Å
896	P	66	Low	72.8	Confident	32 Å²	32	32.4 Å²	32.4	21%	0.208	15%	0.153	C	C	.	.			trans	-60.2	159	177.7	29	-37.4	0	0	0	112.4	W891 L898	W891-P896 HydrophobicContact CB-CG 4.12Å; W891-P896 HydrophobicContact CD2-CG 3.57Å; W891-P896 HydrophobicContact CE3-CG 3.82Å; W891-P896 HydrophobicContact CG-CG 3.7Å; W891-P896 HydrophobicContact CZ3-CG 4.44Å; P896-L898 HydrophobicContact CG-CD1 4.28Å; P896-L898 HydrophobicContact CG-CD2 4.35Å; P896-L898 HydrophobicContact CG-CG 4.18Å; P896-L898 PolarHBondContact O-N 2.99Å
897	I	65.9	Low	73.4	Confident	93 Å²	93	32.3 Å²	32.3	48%	0.477	15%	0.153	S	C	.	.			trans	-75.2	115.4	171	-54.8	176.8	0	0	0	107.5
898	L	69.8	Low	73.5	Confident	6 Å²	6	32.1 Å²	32.1	3%	0.031	15%	0.152	C	C	.	.			trans	-123.5	138.9	176.7	-58.9	170.4	0	0	0	107.8	F760 V850 T853 W891 P896 V902	F760-L898 HydrophobicContact CB-CD1 4.23Å; V850-L898 HydrophobicContact CG2-CD2 4.02Å; T853-L898 HydrophobicContact CG2-CB 4.28Å; T853-L898 HydrophobicContact CG2-CD2 3.96Å; W891-L898 HydrophobicContact CZ3-CD2 4.24Å; P896-L898 HydrophobicContact CG-CD1 4.28Å; P896-L898 HydrophobicContact CG-CD2 4.35Å; P896-L898 HydrophobicContact CG-CG 4.18Å; P896-L898 PolarHBondContact O-N 2.99Å; L898-V902 HydrophobicContact CD1-CB 4.29Å; L898-V902 HydrophobicContact CD1-CG2 3.96Å
899	N	70.7	Confident	73.5	Confident	72 Å²	72	32.3 Å²	32.3	39%	0.385	15%	0.153	S	C	.	.	S	Bend	trans	-83.4	-25	-178.6	-109.3	20.5	0	0	0	112.9	T853 Y854 S858	T853-N899 WeakPolarHBondContact O-CB 3.5Å; T853-N899 PolarHBondContact OG1-N 3.32Å; T853-N899 VanDerWaalsContact OG1-N 3.15Å; Y854-N899 HydrophobicContact CD1-CB 4.33Å; Y854-N899 WeakPolarHBondContact CD1-ND2 3.24Å; S858-N899 WeakPolarHBondContact CA-O 3.16Å; S858-N899 WeakPolarHBondContact CB-O 3.38Å
900	C	71.7	Confident	73.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-131.4	158.1	176.2	82.1	0	0	0	0	111	Q856 Q860	Q856-C900 HydrophobicContact CB-CB 4.32Å; Q860-C900 VanDerWaalsContact O-CB 3.22Å; Q860-C900 WeakPolarHBondContact O-CB 3.47Å; Q860-C900 PolarHBondContact O-SG 3.4Å; Q860-C900 VanDerWaalsContact O-SG 3.38Å
901	P	76.6	Confident	72.7	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.006	16%	0.163	C	C	.	.			trans	-71.8	128.2	179.7	25.3	-30.2	0	0	0	112.5	T746 C749 Y759 P861 L862	T746-P901 HydrophobicContact CG2-CG 4.19Å; C749-P901 HydrophobicContact CB-CB 4.24Å; C749-P901 HydrophobicContact CB-CG 4.5Å; Y759-P901 HydrophobicContact CD1-CB 4.35Å; Y759-P901 CarbonylContact O-C 3.59Å; Y759-P901 WeakPolarHBondContact O-CA 3.39Å; P861-P901 WeakPolarHBondContact CA-O 3.38Å; P861-P901 HydrophobicContact CB-CG 4.05Å; L862-P901 PolarHBondContact N-O 3.33Å
902	V	79.4	Confident	71.6	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.4	-178.2	-178.6	0	0	0	0	110.6	Y759 F760 K761 I849 T853 L862 L898 F904	Y759-V902 PolarHBondContact O-N 2.83Å; F760-V902 WeakPolarHBondContact CA-O 3.36Å; F760-V902 HydrophobicContact CD2-CB 4.34Å; F760-V902 HydrophobicContact CD2-CG1 4.27Å; K761-V902 PolarHBondContact N-O 2.83Å; I849-V902 HydrophobicContact CG2-CG1 4.31Å; T853-V902 HydrophobicContact CG2-CG2 3.45Å; T853-V902 VanDerWaalsContact CG2-CG2 3.45Å; L862-V902 HydrophobicContact CB-CG2 4.42Å; L862-V902 HydrophobicContact CD2-CG2 4.44Å; L862-V902 WeakPolarHBondContact O-CA 3.47Å; L898-V902 HydrophobicContact CD1-CB 4.29Å; L898-V902 HydrophobicContact CD1-CG2 3.96Å; V902-F904 HydrophobicContact CG1-CD2 4.17Å; V902-F904 HydrophobicContact CG1-CE2 4.18Å
903	I	84.6	Confident	70.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	116.8	-177.6	-54.9	177.3	0	0	0	110	I742 K761 I763 L862 I863 I864 I905	I742-I903 HydrophobicContact CB-CD1 4.34Å; I742-I903 HydrophobicContact CG1-CD1 4.22Å; I742-I903 HydrophobicContact CG2-CD1 3.8Å; K761-I903 WeakPolarHBondContact O-CA 3.38Å; I763-I903 HydrophobicContact CD1-CG2 4.02Å; I763-I903 HydrophobicContact CG1-CG2 4.46Å; L862-I903 PolarHBondContact O-N 3.13Å; I863-I903 WeakPolarHBondContact CA-O 3.49Å; I863-I903 HydrophobicContact CG1-CB 4.42Å; I864-I903 PolarHBondContact N-O 3.12Å; I903-I905 HydrophobicContact CG2-CD1 4.39Å; I903-I905 HydrophobicContact CG2-CG1 4.03Å
904	F	86.5	Confident	70.1	Confident	6 Å²	6	39 Å²	39	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.7	170.7	-93.7	-99.6	0	0	0	110.6	F760 K761 F762 I763 I849 I864 L866 P888 V902	F760-F904 AromaticContact CE2-CD2 3.71Å; F760-F904 HydrophobicContact CE2-CD2 3.71Å; F760-F904 HydrophobicContact CE2-CE2 4.22Å; F760-F904 HydrophobicContact CZ-CD2 4.22Å; K761-F904 PolarHBondContact O-N 3.44Å; F762-F904 HydrophobicContact CD2-CB 3.91Å; F762-F904 HydrophobicContact CE2-CB 4.39Å; I763-F904 PolarHBondContact N-O 3.13Å; I849-F904 HydrophobicContact CD1-CE2 4.12Å; I849-F904 HydrophobicContact CD1-CZ 3.83Å; I864-F904 HydrophobicContact CB-CD1 4.33Å; I864-F904 HydrophobicContact CB-CE1 4.2Å; I864-F904 HydrophobicContact CB-CE2 4.48Å; I864-F904 HydrophobicContact CB-CZ 4.28Å; I864-F904 HydrophobicContact CD1-CE1 4.4Å; I864-F904 HydrophobicContact CD1-CE2 3.82Å; I864-F904 HydrophobicContact CD1-CZ 3.69Å; I864-F904 HydrophobicContact CG2-CD1 4.2Å; I864-F904 HydrophobicContact CG2-CE1 3.82Å; I864-F904 HydrophobicContact CG2-CZ 4.19Å; I864-F904 WeakPolarHBondContact O-CA 3.41Å; L866-F904 HydrophobicContact CD1-CE1 4.48Å; P888-F904 HydrophobicContact CG-CE2 4.21Å; P888-F904 HydrophobicContact CG-CZ 4.35Å; V902-F904 HydrophobicContact CG1-CD2 4.17Å; V902-F904 HydrophobicContact CG1-CE2 4.18Å
905	I	88.5	Confident	69.8	Low	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.5	176.4	-45.1	-174.4	0	0	0	109.3	I742 I763 I765 L777 L780 I863 I864 I865 L866 I903	I742-I905 HydrophobicContact CD1-CD1 4.13Å; I763-I905 HydrophobicContact CB-CG1 4.3Å; I763-I905 HydrophobicContact CB-CG2 4.26Å; I763-I905 HydrophobicContact CD1-CD1 4.42Å; I763-I905 HydrophobicContact CD1-CG1 4.35Å; I763-I905 HydrophobicContact CG2-CG2 4.33Å; I763-I905 WeakPolarHBondContact O-CA 3.34Å; I765-I905 HydrophobicContact CD1-CG2 4.22Å; I765-I905 HydrophobicContact CG1-CG2 4.43Å; L777-I905 HydrophobicContact CD2-CG2 3.67Å; L780-I905 HydrophobicContact CD2-CD1 4Å; I863-I905 HydrophobicContact CG2-CD1 4.17Å; I864-I905 PolarHBondContact O-N 2.96Å; I865-I905 WeakPolarHBondContact CA-O 3.25Å; I865-I905 HydrophobicContact CG1-CB 4.28Å; I865-I905 HydrophobicContact CG1-CD1 4.25Å; I865-I905 HydrophobicContact CG1-CG1 4.44Å; L866-I905 PolarHBondContact N-O 3.35Å; I903-I905 HydrophobicContact CG2-CD1 4.39Å; I903-I905 HydrophobicContact CG2-CG1 4.03Å
906	I	86.5	Confident	68.9	Low	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131	-177.7	-52	-169.7	0	0	0	110.9	F762 I763 I765 L866 I869 I887 T908 F922	F762-I906 HydrophobicContact CE2-CD1 3.8Å; F762-I906 HydrophobicContact CE2-CG1 4.35Å; F762-I906 HydrophobicContact CZ-CD1 3.74Å; F762-I906 HydrophobicContact CZ-CG1 4.22Å; I763-I906 PolarHBondContact O-N 2.74Å; I765-I906 PolarHBondContact N-O 3.03Å; L866-I906 HydrophobicContact CB-CG1 4.37Å; L866-I906 HydrophobicContact CD1-CD1 4.34Å; L866-I906 WeakPolarHBondContact O-CA 3.37Å; I869-I906 HydrophobicContact CB-CG2 4.17Å; I869-I906 HydrophobicContact CD1-CG2 4.31Å; I869-I906 HydrophobicContact CG2-CG2 3.85Å; I887-I906 HydrophobicContact CD1-CD1 3.86Å; I906-T908 HydrophobicContact CG2-CG2 4.46Å; I906-F922 HydrophobicContact CD1-CZ 4.4Å
907	S	85.3	Confident	68.3	Low	1 Å²	1	33.3 Å²	33.3	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	146	169.8	75.2	0	0	0	0	112	I765 L866 D867 G868	I765-S907 CarbonylContact O-C 3.56Å; I765-S907 WeakPolarHBondContact O-CA 3.45Å; L866-S907 PolarHBondContact O-N 3.19Å; D867-S907 WeakPolarHBondContact CA-OG 3.47Å; D867-S907 WeakPolarHBondContact OD1-CB 3.49Å; D867-S907 PolarHBondContact OD1-OG 2.91Å; G868-S907 PolarHBondContact N-OG 3.17Å
908	T	77.1	Confident	67.7	Low	1 Å²	1	29.6 Å²	29.6	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	152.6	-178.5	40.5	0	0	0	0	112.4	Q764 I765 K766 G767 K773 I869 I906 F918	Q764-T908 PolarHBondContact NE2-OG1 2.92Å; I765-T908 PolarHBondContact O-N 3.46Å; I765-T908 PolarHBondContact O-OG1 3.22Å; K766-T908 WeakPolarHBondContact CG-OG1 3.4Å; G767-T908 PolarHBondContact N-O 3.36Å; K773-T908 WeakPolarHBondContact CD-O 3.35Å; K773-T908 WeakPolarHBondContact CE-O 3.48Å; K773-T908 PolarHBondContact NZ-O 3.44Å; I869-T908 HydrophobicContact CG2-CG2 3.68Å; I906-T908 HydrophobicContact CG2-CG2 4.46Å; T908-F918 HydrophobicContact CG2-CE1 4.09Å
909	I	72.8	Confident	67.1	Low	4 Å²	4	30 Å²	30	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	142.1	175.6	-66.3	166.5	0	0	0	112	G767 E870 N911 I915 N919	G767-I909 WeakPolarHBondContact O-CA 3.39Å; E870-I909 HydrophobicContact CG-CD1 3.85Å; E870-I909 HydrophobicContact CG-CG1 4.36Å; E870-I909 WeakPolarHBondContact OE1-CG1 3.32Å; I909-N911 HydrophobicContact CG2-CB 3.75Å; I909-I915 HydrophobicContact CB-CD1 3.77Å; I909-I915 HydrophobicContact CD1-CD1 3.92Å; I909-I915 HydrophobicContact CG1-CD1 4.37Å; I909-I915 HydrophobicContact CG2-CD1 4.18Å; I909-N919 PolarHBondContact O-ND2 2.91Å
910	N	64.9	Low	66.5	Low	70 Å²	70	31.4 Å²	31.4	37%	0.374	17%	0.165	S	C	.	.			trans	-105.1	17.6	-176.4	-158	75.2	0	0	0	114.3	G767	G767-N910 PolarHBondContact O-N 2.92Å; G767-N910 VanDerWaalsContact O-N 3.07Å
911	N	58.2	Low	65.9	Low	26 Å²	26	32.2 Å²	32.2	14%	0.139	17%	0.169	C	C	.	.			trans	-88.5	126.4	-174.8	-167.4	7.7	0	0	0	111	I909 E914 L1159	I909-N911 HydrophobicContact CG2-CB 3.75Å; N911-E914 PolarHBondContact ND2-OE2 3.49Å; N911-L1159 WeakPolarHBondContact ND2-CD2 3.15Å
912	P	49.7	Very low	65.3	Low	92 Å²	92	32.2 Å²	32.2	60%	0.597	17%	0.169	S	C	*	.	H	α-helix	trans	-61.8	-44	-177.9	21.4	-34.1	0	0	0	114.1	A916	P912-A916 WeakPolarHBondContact O-CA 3.49Å; P912-A916 VanDerWaalsContact O-CB 3.3Å; P912-A916 WeakPolarHBondContact O-CB 3.34Å; P912-A916 PolarHBondContact O-N 3.19Å; P912-A916 VanDerWaalsContact O-N 3.07Å
913	D	48.7	Very low	64.5	Low	111 Å²	111	36.6 Å²	36.6	59%	0.594	19%	0.189	S	C	*	.	H	α-helix	trans	-74.3	-42.5	-167.8	-59.8	-25.6	0	0	0	113.2
914	E	46.9	Very low	63.3	Low	36 Å²	36	41 Å²	41	17%	0.168	21%	0.213	C	C	.	.	H	α-helix	trans	-72.8	-38.8	-175.6	-62.2	179.2	103.6	0	0	112.6	N911 L1159 Y1162	N911-E914 PolarHBondContact ND2-OE2 3.49Å; E914-L1159 WeakPolarHBondContact OE1-CA 3.3Å; E914-L1159 PolarHBondContact OE1-N 3.37Å; E914-L1159 WeakPolarHBondContact OE2-CD2 3.44Å; E914-Y1162 HydrophobicContact CG-CD1 4.32Å; E914-Y1162 HydrophobicContact CG-CG 4.46Å
915	I	51.6	Low	61.8	Low	12 Å²	12	43.6 Å²	43.6	6%	0.062	23%	0.227	C	C	.	.	H	α-helix	trans	-129.6	20.9	-160.9	-82.4	163.9	0	0	0	111.3	E870 I909 Y917 F918 N919	E870-I915 HydrophobicContact CB-CD1 3.78Å; E870-I915 HydrophobicContact CG-CD1 4.18Å; I909-I915 HydrophobicContact CB-CD1 3.77Å; I909-I915 HydrophobicContact CD1-CD1 3.92Å; I909-I915 HydrophobicContact CG1-CD1 4.37Å; I909-I915 HydrophobicContact CG2-CD1 4.18Å; I915-Y917 PolarHBondContact O-N 3.19Å; I915-Y917 VanDerWaalsContact O-N 3.08Å; I915-F918 HydrophobicContact CG2-CB 4.21Å; I915-F918 PolarHBondContact O-N 3.28Å; I915-N919 HydrophobicContact CG2-CB 4.2Å; I915-N919 WeakPolarHBondContact CG2-ND2 3.5Å; I915-N919 WeakPolarHBondContact O-CB 3.36Å; I915-N919 PolarHBondContact O-N 2.87Å
916	A	46.6	Very low	60.4	Low	50 Å²	50	44 Å²	44	41%	0.413	23%	0.229	S	C	.	.	H	α-helix	trans	-40.1	-49	169.7	0	0	0	0	0	112.1	P912 K920	P912-A916 WeakPolarHBondContact O-CA 3.49Å; P912-A916 VanDerWaalsContact O-CB 3.3Å; P912-A916 WeakPolarHBondContact O-CB 3.34Å; P912-A916 PolarHBondContact O-N 3.19Å; P912-A916 VanDerWaalsContact O-N 3.07Å; A916-K920 WeakPolarHBondContact O-CB 3.29Å; A916-K920 PolarHBondContact O-N 3.23Å; A916-K920 VanDerWaalsContact O-N 3.11Å
917	Y	52.6	Low	58.8	Low	118 Å²	118	46.8 Å²	46.8	46%	0.463	24%	0.244	S	C	.	.	H	α-helix	trans	-66.4	-60.6	178.9	-56.3	-73	0	0	0	112.7	E880 I915 N919 K920 I921	E880-Y917 HydrophobicContact CG-CD1 3.51Å; E880-Y917 HydrophobicContact CG-CE1 4.18Å; E880-Y917 HydrophobicContact CG-CG 4.37Å; E880-Y917 WeakPolarHBondContact OE1-CD1 3.34Å; I915-Y917 PolarHBondContact O-N 3.19Å; I915-Y917 VanDerWaalsContact O-N 3.08Å; Y917-N919 PolarHBondContact O-N 2.97Å; Y917-K920 CarbonylContact O-C 3.49Å; Y917-K920 WeakPolarHBondContact O-CA 3.46Å; Y917-K920 WeakPolarHBondContact O-CB 3.37Å; Y917-K920 PolarHBondContact O-N 2.78Å; Y917-I921 VanDerWaalsContact O-CG1 3.27Å; Y917-I921 WeakPolarHBondContact O-CG1 3.13Å; Y917-I921 PolarHBondContact O-N 3.4Å
918	F	54.1	Low	57.2	Low	16 Å²	16	54.1 Å²	54.1	7%	0.07	28%	0.278	C	S	.	.	H	α-helix	trans	-66.9	-34.7	-173	-176.3	-84.3	0	0	0	112.8	I869 F882 I884 T908 I915 I921 F922	I869-F918 HydrophobicContact CB-CZ 4.4Å; I869-F918 HydrophobicContact CD1-CZ 4.15Å; I869-F918 HydrophobicContact CG1-CZ 3.99Å; I869-F918 HydrophobicContact CG2-CE1 3.76Å; I869-F918 HydrophobicContact CG2-CZ 3.62Å; F882-F918 HydrophobicContact CD1-CD2 4.31Å; F882-F918 AromaticContact CD1-CE2 3.96Å; F882-F918 HydrophobicContact CD1-CE2 3.96Å; F882-F918 AromaticContact CE1-CE2 3.99Å; F882-F918 HydrophobicContact CE1-CE2 3.99Å; I884-F918 HydrophobicContact CD1-CE2 4.13Å; T908-F918 HydrophobicContact CG2-CE1 4.09Å; I915-F918 HydrophobicContact CG2-CB 4.21Å; I915-F918 PolarHBondContact O-N 3.28Å; F918-I921 PolarHBondContact O-N 2.85Å; F918-F922 HydrophobicContact CD1-CD2 4.2Å; F918-F922 AromaticContact CE1-CD2 3.46Å; F918-F922 HydrophobicContact CE1-CD2 3.46Å; F918-F922 VanDerWaalsContact CE1-CD2 3.46Å; F918-F922 AromaticContact CE1-CE2 3.67Å; F918-F922 HydrophobicContact CE1-CE2 3.67Å; F918-F922 HydrophobicContact CE1-CG 4.28Å; F918-F922 HydrophobicContact CE2-CD2 4.29Å; F918-F922 HydrophobicContact CE2-CE2 4.33Å; F918-F922 AromaticContact CZ-CD2 3.53Å; F918-F922 HydrophobicContact CZ-CD2 3.53Å; F918-F922 AromaticContact CZ-CE2 3.41Å; F918-F922 HydrophobicContact CZ-CE2 3.41Å; F918-F922 VanDerWaalsContact CZ-CE2 3.41Å; F918-F922 HydrophobicContact CZ-CZ 4.48Å; F918-F922 WeakPolarHBondContact O-CB 3.04Å; F918-F922 PolarHBondContact O-N 3.19Å
919	N	55.4	Low	55.9	Low	15 Å²	15	57.4 Å²	57.4	8%	0.08	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-38	169.9	-98.1	-46.7	0	0	0	112.2	I909 I915 Y917 Q923	I909-N919 PolarHBondContact O-ND2 2.91Å; I915-N919 HydrophobicContact CG2-CB 4.2Å; I915-N919 WeakPolarHBondContact CG2-ND2 3.5Å; I915-N919 WeakPolarHBondContact O-CB 3.36Å; I915-N919 PolarHBondContact O-N 2.87Å; Y917-N919 PolarHBondContact O-N 2.97Å; N919-Q923 WeakPolarHBondContact O-CB 3.32Å; N919-Q923 WeakPolarHBondContact O-CG 3.42Å; N919-Q923 PolarHBondContact O-N 2.81Å
920	K	59.4	Low	54.9	Low	100 Å²	100	59.6 Å²	59.6	44%	0.435	30%	0.304	S	S	.	.	H	α-helix	trans	-66.6	-37.6	174.4	177.9	-172.6	174.7	-159.9	0	112	E880 A916 Y917 N924	E880-K920 IonicContact OE1-NZ 2.73Å; E880-K920 PolarHBondContact OE1-NZ 3.2Å; A916-K920 WeakPolarHBondContact O-CB 3.29Å; A916-K920 PolarHBondContact O-N 3.23Å; A916-K920 VanDerWaalsContact O-N 3.11Å; Y917-K920 CarbonylContact O-C 3.49Å; Y917-K920 WeakPolarHBondContact O-CA 3.46Å; Y917-K920 WeakPolarHBondContact O-CB 3.37Å; Y917-K920 PolarHBondContact O-N 2.78Å; K920-N924 WeakPolarHBondContact O-CB 3.12Å; K920-N924 PolarHBondContact O-N 3.41Å; K920-N924 PolarHBondContact O-ND2 3.4Å; K920-N924 PolarHBondContact O-OD1 2.9Å
921	I	59.1	Low	53.9	Low	17 Å²	17	61.9 Å²	61.9	9%	0.087	31%	0.311	C	S	.	.	H	α-helix	trans	-71.4	-45.7	176	-52.2	155.8	0	0	0	110.8	K879 I884 Y917 F918 Q923 N924 N925	K879-I921 WeakPolarHBondContact O-CD1 3.34Å; I884-I921 HydrophobicContact CD1-CB 4.11Å; I884-I921 HydrophobicContact CD1-CG2 3.55Å; I884-I921 HydrophobicContact CG1-CG2 4.12Å; Y917-I921 VanDerWaalsContact O-CG1 3.27Å; Y917-I921 WeakPolarHBondContact O-CG1 3.13Å; Y917-I921 PolarHBondContact O-N 3.4Å; F918-I921 PolarHBondContact O-N 2.85Å; I921-Q923 PolarHBondContact O-N 3.38Å; I921-N924 PolarHBondContact O-N 2.71Å; I921-N925 WeakPolarHBondContact O-CB 3.44Å; I921-N925 PolarHBondContact O-N 2.98Å; I921-N925 PolarHBondContact O-ND2 3.06Å
922	F	62.6	Low	53.3	Low	2 Å²	2	63.3 Å²	63.3	1%	0.009	32%	0.323	C	S	.	.	H	α-helix	trans	-59.1	-47.2	175	-120.1	-107.7	0	0	0	110.8	F762 I869 I884 I887 F889 I906 F918 I926	F762-F922 HydrophobicContact CZ-CE1 4.18Å; I869-F922 HydrophobicContact CD1-CE2 4.34Å; I869-F922 HydrophobicContact CD1-CZ 4.49Å; I884-F922 HydrophobicContact CD1-CD2 3.66Å; I884-F922 HydrophobicContact CD1-CE2 4.06Å; I884-F922 HydrophobicContact CG2-CE2 4.49Å; I887-F922 HydrophobicContact CD1-CZ 4.35Å; F889-F922 HydrophobicContact CE1-CE1 4.31Å; F889-F922 HydrophobicContact CE2-CZ 4.43Å; F889-F922 HydrophobicContact CZ-CD1 4.36Å; F889-F922 AromaticContact CZ-CE1 3.73Å; F889-F922 HydrophobicContact CZ-CE1 3.73Å; F889-F922 HydrophobicContact CZ-CE2 4.3Å; F889-F922 AromaticContact CZ-CZ 3.69Å; F889-F922 HydrophobicContact CZ-CZ 3.69Å; I906-F922 HydrophobicContact CD1-CZ 4.4Å; F918-F922 HydrophobicContact CD1-CD2 4.2Å; F918-F922 AromaticContact CE1-CD2 3.46Å; F918-F922 HydrophobicContact CE1-CD2 3.46Å; F918-F922 VanDerWaalsContact CE1-CD2 3.46Å; F918-F922 AromaticContact CE1-CE2 3.67Å; F918-F922 HydrophobicContact CE1-CE2 3.67Å; F918-F922 HydrophobicContact CE1-CG 4.28Å; F918-F922 HydrophobicContact CE2-CD2 4.29Å; F918-F922 HydrophobicContact CE2-CE2 4.33Å; F918-F922 AromaticContact CZ-CD2 3.53Å; F918-F922 HydrophobicContact CZ-CD2 3.53Å; F918-F922 AromaticContact CZ-CE2 3.41Å; F918-F922 HydrophobicContact CZ-CE2 3.41Å; F918-F922 VanDerWaalsContact CZ-CE2 3.41Å; F918-F922 HydrophobicContact CZ-CZ 4.48Å; F918-F922 WeakPolarHBondContact O-CB 3.04Å; F918-F922 PolarHBondContact O-N 3.19Å; F922-I926 HydrophobicContact CD1-CD1 3.57Å; F922-I926 HydrophobicContact CE1-CD1 4.11Å; F922-I926 HydrophobicContact CG-CD1 4.44Å; F922-I926 VanDerWaalsContact O-CB 3.25Å; F922-I926 WeakPolarHBondContact O-CB 3.39Å; F922-I926 WeakPolarHBondContact O-CD1 3.32Å; F922-I926 VanDerWaalsContact O-CG1 3.22Å; F922-I926 WeakPolarHBondContact O-CG1 3.48Å; F922-I926 PolarHBondContact O-N 3.39Å
923	Q	62.7	Low	52.7	Low	91 Å²	91	66.1 Å²	66.1	43%	0.425	33%	0.332	S	S	.	.	H	α-helix	trans	-65.7	-47	177.1	-73.6	176.8	50.5	0	0	111.9	N919 I921 N925 I926 N927	N919-Q923 WeakPolarHBondContact O-CB 3.32Å; N919-Q923 WeakPolarHBondContact O-CG 3.42Å; N919-Q923 PolarHBondContact O-N 2.81Å; I921-Q923 PolarHBondContact O-N 3.38Å; Q923-N925 PolarHBondContact O-N 2.96Å; Q923-I926 PolarHBondContact O-N 3.05Å; Q923-N927 WeakPolarHBondContact O-CA 3.3Å; Q923-N927 WeakPolarHBondContact O-CB 3.4Å; Q923-N927 PolarHBondContact O-N 2.76Å; Q923-N927 PolarHBondContact O-ND2 3.12Å; Q923-N927 PolarHBondContact O-OD1 3.45Å
924	N	59.8	Low	51.9	Low	92 Å²	92	69.4 Å²	69.4	49%	0.492	34%	0.342	S	S	.	.	H	α-helix	trans	-58.6	-47.8	179	-75.9	-4.3	0	0	0	111.4	K920 I921 H928	K920-N924 WeakPolarHBondContact O-CB 3.12Å; K920-N924 PolarHBondContact O-N 3.41Å; K920-N924 PolarHBondContact O-ND2 3.4Å; K920-N924 PolarHBondContact O-OD1 2.9Å; I921-N924 PolarHBondContact O-N 2.71Å; N924-H928 WeakPolarHBondContact O-CB 3.41Å; N924-H928 PolarHBondContact O-N 3.03Å
925	N	55.9	Low	51.3	Low	62 Å²	62	75.5 Å²	75.5	33%	0.332	37%	0.37	S	S	.	.	H	α-helix	trans	-67	-47.6	-179.6	-70.4	-20	0	0	0	112.1	I921 Q923 N927 H928 F929	I921-N925 WeakPolarHBondContact O-CB 3.44Å; I921-N925 PolarHBondContact O-N 2.98Å; I921-N925 PolarHBondContact O-ND2 3.06Å; Q923-N925 PolarHBondContact O-N 2.96Å; N925-N927 PolarHBondContact O-N 2.89Å; N925-H928 PolarHBondContact O-N 2.83Å; N925-F929 WeakPolarHBondContact O-CD2 3.38Å; N925-F929 PolarHBondContact O-N 2.93Å
926	I	57.8	Low	50.3	Low	8 Å²	8	83.3 Å²	83.3	4%	0.041	41%	0.405	C	S	.	.	H	α-helix	trans	-63.1	-43.2	177.1	-69.5	170	0	0	0	110.7	F889 F922 Q923 H928 F929 I930 Y948	F889-I926 HydrophobicContact CD1-CD1 4.47Å; F889-I926 HydrophobicContact CD1-CG1 3.85Å; F889-I926 HydrophobicContact CE1-CD1 3.76Å; F889-I926 HydrophobicContact CE1-CG1 3.61Å; F889-I926 HydrophobicContact CZ-CD1 4.43Å; F889-I926 HydrophobicContact CZ-CG1 4.43Å; F922-I926 HydrophobicContact CD1-CD1 3.57Å; F922-I926 HydrophobicContact CE1-CD1 4.11Å; F922-I926 HydrophobicContact CG-CD1 4.44Å; F922-I926 VanDerWaalsContact O-CB 3.25Å; F922-I926 WeakPolarHBondContact O-CB 3.39Å; F922-I926 WeakPolarHBondContact O-CD1 3.32Å; F922-I926 VanDerWaalsContact O-CG1 3.22Å; F922-I926 WeakPolarHBondContact O-CG1 3.48Å; F922-I926 PolarHBondContact O-N 3.39Å; Q923-I926 PolarHBondContact O-N 3.05Å; I926-H928 VanDerWaalsContact C-N 3.28Å; I926-H928 PolarHBondContact O-N 2.91Å; I926-F929 PolarHBondContact O-N 3.2Å; I926-F929 VanDerWaalsContact O-N 3.07Å; I926-I930 HydrophobicContact CG2-CD1 3.51Å; I926-I930 HydrophobicContact CG2-CG1 4.15Å; I926-I930 WeakPolarHBondContact O-CG1 3.23Å; I926-I930 PolarHBondContact O-N 3.05Å; I926-Y948 HydrophobicContact CD1-CE2 4.13Å; I926-Y948 HydrophobicContact CG2-CE2 4.34Å
927	N	52.9	Low	49.5	Very low	59 Å²	59	85.8 Å²	85.8	32%	0.316	42%	0.416	S	S	.	.	H	α-helix	trans	-62.8	-36	177.2	-67.6	-14.3	0	0	0	111.1	Q923 N925 F929 I930 F931	Q923-N927 WeakPolarHBondContact O-CA 3.3Å; Q923-N927 WeakPolarHBondContact O-CB 3.4Å; Q923-N927 PolarHBondContact O-N 2.76Å; Q923-N927 PolarHBondContact O-ND2 3.12Å; Q923-N927 PolarHBondContact O-OD1 3.45Å; N925-N927 PolarHBondContact O-N 2.89Å; N927-F929 PolarHBondContact O-N 3.44Å; N927-I930 PolarHBondContact O-N 3.39Å; N927-F931 HydrophobicContact CB-CD2 3.72Å; N927-F931 HydrophobicContact CB-CE2 3.99Å; N927-F931 WeakPolarHBondContact O-CB 3.43Å; N927-F931 WeakPolarHBondContact O-CD2 3.45Å; N927-F931 PolarHBondContact O-N 3.38Å; N927-F931 WeakPolarHBondContact OD1-CE2 3.34Å
928	H	52.9	Low	48.4	Very low	154 Å²	154	85.6 Å²	85.6	71%	0.713	43%	0.427	S	S	*	.	H	α-helix	trans	-65.9	-21.1	176.6	-146.9	-47.4	0	0	0	113.5	N924 N925 I926	N924-H928 WeakPolarHBondContact O-CB 3.41Å; N924-H928 PolarHBondContact O-N 3.03Å; N925-H928 PolarHBondContact O-N 2.83Å; I926-H928 VanDerWaalsContact C-N 3.28Å; I926-H928 PolarHBondContact O-N 2.91Å
929	F	50	Low	47.4	Very low	70 Å²	70	89.3 Å²	89.3	31%	0.307	46%	0.461	S	S	.	.	H	α-helix	trans	-94.4	-25.3	171.7	-65.9	-65.3	0	0	0	114	F889 K893 N925 I926 N927	F889-F929 HydrophobicContact CB-CD2 4.07Å; F889-F929 HydrophobicContact CB-CE2 3.96Å; K893-F929 HydrophobicContact CB-CD1 4.43Å; K893-F929 HydrophobicContact CD-CD1 4.29Å; N925-F929 WeakPolarHBondContact O-CD2 3.38Å; N925-F929 PolarHBondContact O-N 2.93Å; I926-F929 PolarHBondContact O-N 3.2Å; I926-F929 VanDerWaalsContact O-N 3.07Å; N927-F929 PolarHBondContact O-N 3.44Å
930	I	50.7	Low	46.5	Very low	51 Å²	51	97.7 Å²	97.7	26%	0.262	50%	0.496	S	S	.	.	H	α-helix	trans	-89.5	-37.7	179.6	-68.1	-177.9	0	0	0	113	I926 N927 S932 Y948	I926-I930 HydrophobicContact CG2-CD1 3.51Å; I926-I930 HydrophobicContact CG2-CG1 4.15Å; I926-I930 WeakPolarHBondContact O-CG1 3.23Å; I926-I930 PolarHBondContact O-N 3.05Å; N927-I930 PolarHBondContact O-N 3.39Å; I930-S932 PolarHBondContact O-N 2.97Å; I930-Y948 HydrophobicContact CD1-CD1 4.27Å; I930-Y948 HydrophobicContact CD1-CG 4.5Å
931	F	45.4	Very low	45.4	Very low	118 Å²	118	98.3 Å²	98.3	52%	0.518	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	18.7	-170.2	-72.2	-108.2	0	0	0	114.3	N927 D933	N927-F931 HydrophobicContact CB-CD2 3.72Å; N927-F931 HydrophobicContact CB-CE2 3.99Å; N927-F931 WeakPolarHBondContact O-CB 3.43Å; N927-F931 WeakPolarHBondContact O-CD2 3.45Å; N927-F931 PolarHBondContact O-N 3.38Å; N927-F931 WeakPolarHBondContact OD1-CE2 3.34Å; F931-D933 VanDerWaalsContact C-N 3.26Å; F931-D933 PolarHBondContact O-N 3.16Å
932	S	45	Very low	44.5	Very low	56 Å²	56	102.1 Å²	102.1	39%	0.392	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.8	179.6	64.3	0	0	0	0	114	K893 I930 K934	K893-S932 PolarHBondContact NZ-OG 2.91Å; I930-S932 PolarHBondContact O-N 2.97Å; S932-K934 PolarHBondContact O-N 3.07Å
933	D	36.4	Very low	43.4	Very low	150 Å²	150	107.5 Å²	107.5	80%	0.802	56%	0.558	S	S	*	*	S	Bend	trans	-94.8	93.2	177.2	-67.6	-0.1	0	0	0	109.8	F931	F931-D933 VanDerWaalsContact C-N 3.26Å; F931-D933 PolarHBondContact O-N 3.16Å
934	K	33	Very low	42.3	Very low	181 Å²	181	107.3 Å²	107.3	79%	0.787	57%	0.567	S	S	*	*			trans	-80.9	119.4	179.2	-60	176.2	-178.1	176.2	0	110.3	S932	S932-K934 PolarHBondContact O-N 3.07Å
935	H	32.7	Very low	41.8	Very low	164 Å²	164	105.9 Å²	105.9	76%	0.759	56%	0.561	S	S	*	*	S	Bend	trans	175	122.2	132.6	-92.4	-66.5	0	0	0	112.2
936	H	31	Very low	41.8	Very low	175 Å²	175	109.7 Å²	109.7	81%	0.81	58%	0.582	S	S	*	*			trans	41.8	69.4	156	-52.3	-76.2	0	0	0	121.3
937	T	30	Very low	42.1	Very low	103 Å²	103	110.2 Å²	110.2	63%	0.632	59%	0.586	S	S	*	*			trans	-137.9	159.5	148.2	57.5	0	0	0	0	113.2	Q941	T937-Q941 VanDerWaalsContact CG2-OE1 3.24Å; T937-Q941 PolarHBondContact OG1-OE1 2.81Å
938	T	29.9	Very low	42.9	Very low	114 Å²	114	109.1 Å²	109.1	70%	0.699	58%	0.577	S	S	*	*			trans	-82.7	160.7	-173.7	54	0	0	0	0	112.7	K940 Q941	T938-K940 PolarHBondContact O-N 3.37Å; T938-Q941 PolarHBondContact O-N 3.31Å
939	A	33	Very low	44	Very low	94 Å²	94	105.2 Å²	105.2	78%	0.777	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	15.4	-169.8	0	0	0	0	0	117.5
940	K	36.6	Very low	45.2	Very low	191 Å²	191	106.4 Å²	106.4	83%	0.83	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-6.7	176.2	-74	-173.9	172.9	-177.8	0	114.7	T938	T938-K940 PolarHBondContact O-N 3.37Å
941	Q	35.3	Very low	46.6	Very low	113 Å²	113	104.5 Å²	104.5	53%	0.528	55%	0.553	S	S	.	*			trans	-97.6	-1.8	-174.4	-76.5	-172.4	-23.3	0	0	116.4	T937 T938 S943 S944	T937-Q941 VanDerWaalsContact CG2-OE1 3.24Å; T937-Q941 PolarHBondContact OG1-OE1 2.81Å; T938-Q941 PolarHBondContact O-N 3.31Å; Q941-S943 PolarHBondContact O-N 2.91Å; Q941-S944 PolarHBondContact O-OG 2.84Å
942	I	40.3	Very low	48.2	Very low	96 Å²	96	103 Å²	103	49%	0.492	55%	0.55	S	S	.	.	G	3₁₀ helix	trans	-64.7	-10.2	-176.6	-56.1	173.3	0	0	0	112.6	S944	I942-S944 VanDerWaalsContact C-N 3.29Å; I942-S944 PolarHBondContact O-N 3.01Å
943	S	40.2	Very low	49.8	Very low	116 Å²	116	100.6 Å²	100.6	81%	0.811	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-75.9	1.3	-179.1	50.3	0	0	0	0	116.2	Q941	Q941-S943 PolarHBondContact O-N 2.91Å
944	S	39.3	Very low	51.7	Low	87 Å²	87	98.8 Å²	98.8	61%	0.608	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-101.8	-11.4	-165	53.5	0	0	0	0	116.3	Q941 I942 N946	Q941-S944 PolarHBondContact O-OG 2.84Å; I942-S944 VanDerWaalsContact C-N 3.29Å; I942-S944 PolarHBondContact O-N 3.01Å; S944-N946 PolarHBondContact O-N 3.16Å
945	T	50.3	Low	53.7	Low	61 Å²	61	93.9 Å²	93.9	37%	0.374	50%	0.503	S	S	.	.			trans	-82.4	97.3	179.8	52.1	0	0	0	0	111.9	T947 Y948	T945-T947 PolarHBondContact O-N 2.75Å; T945-Y948 PolarHBondContact O-N 2.87Å; T945-Y948 VanDerWaalsContact O-N 3.09Å
946	N	56.2	Low	56	Low	143 Å²	143	86.3 Å²	86.3	77%	0.765	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-16.8	-176	-83.1	-29.3	0	0	0	117	S944	S944-N946 PolarHBondContact O-N 3.16Å
947	T	62.9	Low	58.4	Low	19 Å²	19	81.7 Å²	81.7	12%	0.117	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-16.6	-178.3	47.3	0	0	0	0	114.7	F762 T945	F762-T947 PolarHBondContact N-O 3.33Å; T945-T947 PolarHBondContact O-N 2.75Å
948	Y	70.7	Confident	60.7	Low	35 Å²	35	80.8 Å²	80.8	14%	0.137	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127	-178.5	174.4	-96.2	0	0	0	111.1	F762 Q764 I926 I930 T945 Q950	F762-Y948 AromaticContact CD1-CD2 3.67Å; F762-Y948 HydrophobicContact CD1-CD2 3.67Å; F762-Y948 AromaticContact CD1-CE2 3.79Å; F762-Y948 HydrophobicContact CD1-CE2 3.79Å; F762-Y948 HydrophobicContact CE1-CD2 4.36Å; F762-Y948 HydrophobicContact CE1-CE2 4.05Å; F762-Y948 HydrophobicContact CG-CD2 4.49Å; F762-Y948 WeakPolarHBondContact O-CA 3.24Å; Q764-Y948 PolarHBondContact OE1-OH 2.79Å; I926-Y948 HydrophobicContact CD1-CE2 4.13Å; I926-Y948 HydrophobicContact CG2-CE2 4.34Å; I930-Y948 HydrophobicContact CD1-CD1 4.27Å; I930-Y948 HydrophobicContact CD1-CG 4.5Å; T945-Y948 PolarHBondContact O-N 2.87Å; T945-Y948 VanDerWaalsContact O-N 3.09Å; Y948-Q950 HydrophobicContact CE1-CB 4.05Å; Y948-Q950 PolarHBondContact OH-OE1 2.85Å
949	R	74.8	Confident	63.1	Low	72 Å²	72	80.4 Å²	80.4	27%	0.272	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.9	175.7	-167.1	177.2	-161.4	-154.1	-2.9	111.2	E737 S741 F762 I763 Q764 I951	E737-R949 IonicContact OE1-CZ 2.75Å; E737-R949 IonicContact OE1-NH1 2.67Å; E737-R949 PolarHBondContact OE1-NH1 3.45Å; E737-R949 IonicContact OE1-NH2 2.65Å; E737-R949 PolarHBondContact OE1-NH2 3.31Å; S741-R949 PolarHBondContact OG-NH1 3.28Å; F762-R949 PolarHBondContact O-N 2.77Å; I763-R949 CarbonylContact C-O 3.58Å; I763-R949 VanDerWaalsContact CA-O 3.32Å; I763-R949 WeakPolarHBondContact CA-O 3.26Å; Q764-R949 PolarHBondContact N-O 2.86Å; R949-I951 HydrophobicContact CG-CG1 4.29Å
950	Q	75.2	Confident	65.4	Low	95 Å²	95	76.4 Å²	76.4	44%	0.444	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.3	167.7	-167.6	-179.4	-76.4	0	0	109.9	Q764 K766 Y948	Q764-Q950 WeakPolarHBondContact O-CA 3.4Å; K766-Q950 HydrophobicContact CD-CG 4.17Å; Y948-Q950 HydrophobicContact CE1-CB 4.05Å; Y948-Q950 PolarHBondContact OH-OE1 2.85Å
951	I	79.8	Confident	67.5	Low	12 Å²	12	67.4 Å²	67.4	6%	0.062	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.4	174.2	-61.3	175	0	0	0	107.7	L734 L738 I763 Q764 K766 R949	L734-I951 HydrophobicContact CD2-CG2 4.02Å; L738-I951 HydrophobicContact CD1-CD1 4.43Å; L738-I951 HydrophobicContact CD2-CD1 3.58Å; L738-I951 HydrophobicContact CG-CD1 3.87Å; I763-I951 HydrophobicContact CG2-CD1 4.09Å; Q764-I951 PolarHBondContact O-N 3.5Å; K766-I951 PolarHBondContact N-O 3.08Å; R949-I951 HydrophobicContact CG-CG1 4.29Å
952	L	80.1	Confident	69.5	Low	85 Å²	85	63.9 Å²	63.9	45%	0.445	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.9	174.4	-174.3	67.2	0	0	0	109.1	K766 N954	K766-L952 HydrophobicContact CB-CD1 4.03Å; L952-N954 PolarHBondContact O-N 2.97Å
953	L	79.2	Confident	71.5	Confident	6 Å²	6	63 Å²	63	3%	0.031	33%	0.334	C	S	.	.			trans	-88.5	101.5	172.5	-71.9	168.8	0	0	0	109.2	L734 I765 K766 K773 L776	L734-L953 HydrophobicContact CD1-CD2 3.7Å; L734-L953 HydrophobicContact CD2-CD2 4.49Å; I765-L953 HydrophobicContact CG2-CD1 3.4Å; I765-L953 VanDerWaalsContact CG2-CD1 3.4Å; I765-L953 HydrophobicContact CG2-CG 4.01Å; K766-L953 PolarHBondContact O-N 2.86Å; K773-L953 HydrophobicContact CB-CD1 4.29Å; K773-L953 HydrophobicContact CG-CD1 3.9Å; L776-L953 HydrophobicContact CD2-CD1 4.18Å; L776-L953 HydrophobicContact CD2-CD2 4.17Å
954	N	75	Confident	73.4	Confident	112 Å²	112	57.7 Å²	57.7	60%	0.599	30%	0.297	S	S	*	.			trans	-69.7	-164.3	175.2	-59	-16.3	0	0	0	111.2	R731 L952	R731-N954 PolarHBondContact NH2-O 3.34Å; L952-N954 PolarHBondContact O-N 2.97Å
955	E	75.5	Confident	75.1	Confident	79 Å²	79	53.6 Å²	53.6	37%	0.369	27%	0.268	S	S	.	.			trans	-71.9	176.1	170.5	-65.4	169.5	144.8	0	0	111.6	R731 L991 Q993	R731-E955 PolarHBondContact NH2-O 2.98Å; E955-L991 HydrophobicContact CB-CB 3.78Å; E955-Q993 HydrophobicContact CG-CG 3.96Å
956	L	80.6	Confident	76.3	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.021	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-81.5	137.2	173	-67.8	166.9	0	0	0	109.8	A730 R731 D960 M961 F992 P994 L997	A730-L956 HydrophobicContact CB-CD2 4.37Å; R731-L956 HydrophobicContact CG-CD2 4.36Å; L956-D960 HydrophobicContact CD2-CB 4.18Å; L956-M961 HydrophobicContact CB-CG 3.44Å; L956-M961 VanDerWaalsContact CB-CG 3.44Å; L956-M961 HydrophobicContact CD1-CG 4.17Å; L956-M961 HydrophobicContact CG-CG 4.47Å; L956-F992 WeakPolarHBondContact CB-O 3.5Å; L956-F992 PolarHBondContact N-O 3.41Å; L956-P994 HydrophobicContact CD1-CB 4.29Å; L956-P994 HydrophobicContact CD1-CG 3.92Å; L956-P994 HydrophobicContact CD2-CG 4.21Å; L956-P994 HydrophobicContact CG-CG 4.04Å; L956-L997 HydrophobicContact CD1-CD2 3.9Å
957	D	82.2	Confident	77.3	Confident	79 Å²	79	53.5 Å²	53.5	42%	0.422	26%	0.261	S	S	.	.			trans	-72	167.4	169.1	71.7	63.6	0	0	0	111.6	N959 D960 M961	D957-N959 PolarHBondContact O-N 2.89Å; D957-N959 VanDerWaalsContact OD1-CA 3.31Å; D957-N959 WeakPolarHBondContact OD1-CA 3.4Å; D957-N959 WeakPolarHBondContact OD1-CB 3.31Å; D957-N959 PolarHBondContact OD1-N 3.13Å; D957-D960 PolarHBondContact O-N 3.2Å; D957-D960 PolarHBondContact OD1-N 2.81Å; D957-M961 WeakPolarHBondContact O-CB 3.32Å; D957-M961 VanDerWaalsContact O-CG 3.28Å; D957-M961 WeakPolarHBondContact O-CG 3.43Å; D957-M961 PolarHBondContact O-N 2.83Å
958	F	77.7	Confident	77.9	Confident	84 Å²	84	54.5 Å²	54.5	37%	0.368	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-23.8	-177	-81.2	-76.3	0	0	0	115	M961 N962 I985 L991	F958-M961 HydrophobicContact CD1-CE 3.57Å; F958-M961 HydrophobicContact CD2-CE 4.49Å; F958-M961 HydrophobicContact CE1-CE 3.8Å; F958-M961 HydrophobicContact CG-CE 3.95Å; F958-M961 HydrophobicContact CZ-CE 4.36Å; F958-N962 WeakPolarHBondContact O-CB 3.27Å; F958-N962 PolarHBondContact O-N 3.02Å; F958-I985 HydrophobicContact CE1-CG2 4.5Å; F958-L991 HydrophobicContact CD2-CD2 3.68Å; F958-L991 HydrophobicContact CE2-CD2 3.51Å; F958-L991 HydrophobicContact CG-CD2 4.38Å; F958-L991 HydrophobicContact CZ-CD2 4.08Å
959	N	80	Confident	77.8	Confident	105 Å²	105	53.1 Å²	53.1	56%	0.561	26%	0.258	S	S	*	.	H	α-helix	trans	-82.4	-45.3	179.6	-162.1	23.3	0	0	0	110.5	D957 N962 K963	D957-N959 PolarHBondContact O-N 2.89Å; D957-N959 VanDerWaalsContact OD1-CA 3.31Å; D957-N959 WeakPolarHBondContact OD1-CA 3.4Å; D957-N959 WeakPolarHBondContact OD1-CB 3.31Å; D957-N959 PolarHBondContact OD1-N 3.13Å; N959-N962 WeakPolarHBondContact O-CB 3.47Å; N959-N962 PolarHBondContact O-N 3.4Å; N959-N962 VanDerWaalsContact O-N 3.15Å; N959-K963 PolarHBondContact O-N 3.15Å
960	D	82	Confident	77.3	Confident	10 Å²	10	53.1 Å²	53.1	5%	0.053	27%	0.269	C	S	.	.	H	α-helix	trans	-67.1	-37.5	172.8	-96.5	-3.9	0	0	0	112.7	A730 R731 L956 D957 N962 K963 C964	A730-D960 HydrophobicContact CB-CB 3.95Å; R731-D960 WeakPolarHBondContact CA-OD2 3.37Å; R731-D960 WeakPolarHBondContact CG-OD2 3.38Å; R731-D960 VanDerWaalsContact N-CG 3.34Å; R731-D960 PolarHBondContact N-OD1 3.07Å; R731-D960 PolarHBondContact N-OD2 2.84Å; L956-D960 HydrophobicContact CD2-CB 4.18Å; D957-D960 PolarHBondContact O-N 3.2Å; D957-D960 PolarHBondContact OD1-N 2.81Å; D960-N962 VanDerWaalsContact C-N 3.28Å; D960-N962 PolarHBondContact O-N 2.82Å; D960-K963 PolarHBondContact O-N 3.22Å; D960-K963 IonicContact OD1-NZ 2.71Å; D960-K963 PolarHBondContact OD1-NZ 3.38Å; D960-C964 PolarHBondContact O-N 3.5Å; D960-C964 PolarHBondContact O-SG 3.11Å
961	M	79.5	Confident	76.5	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-58.3	-42.5	167.9	-75.7	-162.3	-72.8	0	0	110.7	L956 D957 F958 C964 I965 L991 F992 L997	L956-M961 HydrophobicContact CB-CG 3.44Å; L956-M961 VanDerWaalsContact CB-CG 3.44Å; L956-M961 HydrophobicContact CD1-CG 4.17Å; L956-M961 HydrophobicContact CG-CG 4.47Å; D957-M961 WeakPolarHBondContact O-CB 3.32Å; D957-M961 VanDerWaalsContact O-CG 3.28Å; D957-M961 WeakPolarHBondContact O-CG 3.43Å; D957-M961 PolarHBondContact O-N 2.83Å; F958-M961 HydrophobicContact CD1-CE 3.57Å; F958-M961 HydrophobicContact CD2-CE 4.49Å; F958-M961 HydrophobicContact CE1-CE 3.8Å; F958-M961 HydrophobicContact CG-CE 3.95Å; F958-M961 HydrophobicContact CZ-CE 4.36Å; M961-C964 PolarHBondContact O-N 3.46Å; M961-I965 HydrophobicContact CB-CD1 4.49Å; M961-I965 WeakPolarHBondContact O-CB 3.36Å; M961-I965 WeakPolarHBondContact O-CD1 3.2Å; M961-I965 WeakPolarHBondContact O-CG1 3.28Å; M961-I965 PolarHBondContact O-N 3.36Å; M961-L991 HydrophobicContact CE-CD2 3.72Å; M961-F992 HydrophobicContact SD-CB 4.03Å; M961-F992 HydrophobicContact SD-CD2 3.99Å; M961-L997 HydrophobicContact CB-CD2 4.19Å; M961-L997 HydrophobicContact CG-CD2 4.03Å
962	N	79.2	Confident	75.2	Confident	40 Å²	40	58.5 Å²	58.5	21%	0.214	30%	0.296	C	S	.	.	H	α-helix	trans	-64.9	-40.8	178.5	-167.1	33.5	0	0	0	112.5	F958 N959 D960 I965 K966 Y978 L982	F958-N962 WeakPolarHBondContact O-CB 3.27Å; F958-N962 PolarHBondContact O-N 3.02Å; N959-N962 WeakPolarHBondContact O-CB 3.47Å; N959-N962 PolarHBondContact O-N 3.4Å; N959-N962 VanDerWaalsContact O-N 3.15Å; D960-N962 VanDerWaalsContact C-N 3.28Å; D960-N962 PolarHBondContact O-N 2.82Å; N962-I965 PolarHBondContact O-N 2.78Å; N962-K966 WeakPolarHBondContact O-CB 3.11Å; N962-K966 PolarHBondContact O-N 2.81Å; N962-Y978 PolarHBondContact ND2-OH 2.55Å; N962-Y978 WeakPolarHBondContact OD1-CE2 3.45Å; N962-Y978 PolarHBondContact OD1-OH 2.91Å; N962-L982 HydrophobicContact CB-CD1 4.36Å; N962-L982 WeakPolarHBondContact OD1-CD1 3.45Å
963	K	81.2	Confident	73.9	Confident	76 Å²	76	63.4 Å²	63.4	33%	0.33	32%	0.316	S	S	.	.	H	α-helix	trans	-56.9	-49.1	170.6	-66.9	175.5	-169.7	163.4	0	111.3	I729 N959 D960 K966 V967	I729-K963 HydrophobicContact CG2-CB 4.29Å; N959-K963 PolarHBondContact O-N 3.15Å; D960-K963 PolarHBondContact O-N 3.22Å; D960-K963 IonicContact OD1-NZ 2.71Å; D960-K963 PolarHBondContact OD1-NZ 3.38Å; K963-K966 PolarHBondContact O-N 3.29Å; K963-V967 WeakPolarHBondContact O-CG2 3.46Å; K963-V967 PolarHBondContact O-N 3.03Å
964	C	79.1	Confident	72.6	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.034	32%	0.321	C	S	.	.	H	α-helix	trans	-60.9	-46.2	178.8	-65	0	0	0	0	112.2	D960 M961 V967 W968 L997	D960-C964 PolarHBondContact O-N 3.5Å; D960-C964 PolarHBondContact O-SG 3.11Å; M961-C964 PolarHBondContact O-N 3.46Å; C964-V967 PolarHBondContact O-N 2.86Å; C964-W968 HydrophobicContact CB-CD2 4.47Å; C964-W968 HydrophobicContact CB-CE3 4.07Å; C964-W968 HydrophobicContact CB-CH2 4.24Å; C964-W968 HydrophobicContact CB-CZ3 3.97Å; C964-W968 WeakPolarHBondContact O-CB 3.37Å; C964-W968 PolarHBondContact O-N 3.33Å; C964-L997 HydrophobicContact CB-CD2 3.88Å
965	I	75.7	Confident	71.6	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-59.8	-47.3	176.6	-68.4	157.2	0	0	0	110.5	M961 N962 V967 W968 L969 Y978 V981 L982 I985 L997 I1001	M961-I965 HydrophobicContact CB-CD1 4.49Å; M961-I965 WeakPolarHBondContact O-CB 3.36Å; M961-I965 WeakPolarHBondContact O-CD1 3.2Å; M961-I965 WeakPolarHBondContact O-CG1 3.28Å; M961-I965 PolarHBondContact O-N 3.36Å; N962-I965 PolarHBondContact O-N 2.78Å; I965-V967 PolarHBondContact O-N 3.29Å; I965-W968 PolarHBondContact O-N 3.41Å; I965-L969 HydrophobicContact CG2-CD1 3.65Å; I965-L969 HydrophobicContact CG2-CG 4.29Å; I965-L969 VanDerWaalsContact O-CB 3.31Å; I965-L969 WeakPolarHBondContact O-CB 3.34Å; I965-L969 WeakPolarHBondContact O-CG 3.37Å; I965-L969 PolarHBondContact O-N 3.04Å; I965-Y978 HydrophobicContact CG2-CD2 4.1Å; I965-Y978 HydrophobicContact CG2-CE2 4.4Å; I965-V981 HydrophobicContact CG2-CG1 4.02Å; I965-L982 HydrophobicContact CD1-CD1 4.28Å; I965-I985 HydrophobicContact CD1-CD1 3.63Å; I965-I985 HydrophobicContact CG1-CD1 4.33Å; I965-L997 HydrophobicContact CD1-CD1 4.38Å; I965-L997 HydrophobicContact CG1-CD1 4.22Å; I965-L997 HydrophobicContact CG1-CD2 4.49Å; I965-I1001 HydrophobicContact CG1-CD1 3.94Å
966	K	76.5	Confident	70.7	Confident	137 Å²	137	67.8 Å²	67.8	60%	0.596	34%	0.34	S	S	*	.	H	α-helix	trans	-61.1	-44.1	-178.8	-167.8	177.8	-178.4	-176.3	0	112	N962 K963 S970 Y978	N962-K966 WeakPolarHBondContact O-CB 3.11Å; N962-K966 PolarHBondContact O-N 2.81Å; K963-K966 PolarHBondContact O-N 3.29Å; K966-S970 WeakPolarHBondContact O-CB 3.46Å; K966-S970 PolarHBondContact O-N 2.84Å; K966-S970 VanDerWaalsContact O-N 3.17Å; K966-Y978 HydrophobicContact CB-CE2 4.1Å; K966-Y978 HydrophobicContact CG-CE2 4.36Å
967	V	76.3	Confident	69.6	Low	65 Å²	65	71.4 Å²	71.4	39%	0.394	36%	0.356	S	S	.	.	H	α-helix	trans	-73.5	-37.9	178.9	175.6	0	0	0	0	112.5	I729 K963 C964 I965 S970	I729-V967 HydrophobicContact CD1-CB 4.17Å; I729-V967 HydrophobicContact CD1-CG1 3.74Å; I729-V967 HydrophobicContact CG1-CG1 4.16Å; I729-V967 HydrophobicContact CG2-CB 4.13Å; I729-V967 HydrophobicContact CG2-CG2 3.9Å; K963-V967 WeakPolarHBondContact O-CG2 3.46Å; K963-V967 PolarHBondContact O-N 3.03Å; C964-V967 PolarHBondContact O-N 2.86Å; I965-V967 PolarHBondContact O-N 3.29Å; V967-S970 PolarHBondContact O-OG 3.47Å; V967-S970 VanDerWaalsContact O-OG 3.04Å
968	W	75.3	Confident	68.9	Low	40 Å²	40	70.3 Å²	70.3	15%	0.152	35%	0.346	C	S	.	.	H	α-helix	trans	-79.6	-16.7	179.7	-65.4	-22.9	0	0	0	113.9	I729 C964 I965 L997 K998 I1001 R1005	I729-W968 HydrophobicContact CD1-CZ2 4.28Å; C964-W968 HydrophobicContact CB-CD2 4.47Å; C964-W968 HydrophobicContact CB-CE3 4.07Å; C964-W968 HydrophobicContact CB-CH2 4.24Å; C964-W968 HydrophobicContact CB-CZ3 3.97Å; C964-W968 WeakPolarHBondContact O-CB 3.37Å; C964-W968 PolarHBondContact O-N 3.33Å; I965-W968 PolarHBondContact O-N 3.41Å; W968-L997 HydrophobicContact CZ3-CB 4.36Å; W968-L997 HydrophobicContact CZ3-CD2 4.1Å; W968-L997 HydrophobicContact CZ3-CG 4.1Å; W968-K998 HydrophobicContact CE3-CB 4.47Å; W968-K998 HydrophobicContact CE3-CG 4.32Å; W968-K998 HydrophobicContact CH2-CB 4.01Å; W968-K998 HydrophobicContact CH2-CD 4.37Å; W968-K998 HydrophobicContact CH2-CG 4.16Å; W968-K998 HydrophobicContact CZ2-CD 4.3Å; W968-K998 HydrophobicContact CZ2-CG 4.4Å; W968-K998 HydrophobicContact CZ3-CB 3.88Å; W968-K998 HydrophobicContact CZ3-CG 4.12Å; W968-I1001 HydrophobicContact CB-CG2 4.42Å; W968-I1001 HydrophobicContact CE3-CD1 3.74Å; W968-I1001 HydrophobicContact CZ3-CD1 4.39Å; W968-R1005 PolarHBondContact O-NH2 2.65Å
969	L	69.9	Low	68.3	Low	6 Å²	6	71.4 Å²	71.4	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-93.3	-23.6	171.9	-68.1	-179.8	0	0	0	114.2	I965 Q971 I972 V981 I1001	I965-L969 HydrophobicContact CG2-CD1 3.65Å; I965-L969 HydrophobicContact CG2-CG 4.29Å; I965-L969 VanDerWaalsContact O-CB 3.31Å; I965-L969 WeakPolarHBondContact O-CB 3.34Å; I965-L969 WeakPolarHBondContact O-CG 3.37Å; I965-L969 PolarHBondContact O-N 3.04Å; L969-Q971 PolarHBondContact O-N 3.19Å; L969-I972 PolarHBondContact O-N 3.21Å; L969-V981 HydrophobicContact CD1-CB 4.33Å; L969-V981 HydrophobicContact CD1-CG2 4.17Å; L969-I1001 HydrophobicContact CD2-CG2 4.22Å
970	S	64.1	Low	67.6	Low	73 Å²	73	69 Å²	69	51%	0.51	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-22	-176.1	62.4	0	0	0	0	114.7	K966 V967 I972	K966-S970 WeakPolarHBondContact O-CB 3.46Å; K966-S970 PolarHBondContact O-N 2.84Å; K966-S970 VanDerWaalsContact O-N 3.17Å; V967-S970 PolarHBondContact O-OG 3.47Å; V967-S970 VanDerWaalsContact O-OG 3.04Å; S970-I972 PolarHBondContact O-N 3.13Å
971	Q	57	Low	66.9	Low	150 Å²	150	68.8 Å²	68.8	70%	0.701	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-1.3	-177.7	-64.8	-177.2	-40.1	0	0	115	L969	L969-Q971 PolarHBondContact O-N 3.19Å
972	I	52.6	Low	66.5	Low	70 Å²	70	69.8 Å²	69.8	36%	0.359	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.5	162.6	-176.2	-35.4	179.7	0	0	0	109.2	L969 S970 F974 R1005	L969-I972 PolarHBondContact O-N 3.21Å; S970-I972 PolarHBondContact O-N 3.13Å; I972-F974 HydrophobicContact CB-CD2 3.92Å; I972-F974 HydrophobicContact CG2-CD2 3.6Å; I972-F974 HydrophobicContact CG2-CE2 3.82Å; I972-F974 PolarHBondContact O-N 2.83Å; I972-R1005 HydrophobicContact CD1-CG 4.31Å
973	Q	52.6	Low	66	Low	187 Å²	187	70.8 Å²	70.8	87%	0.874	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	26.5	175.4	-62.5	175.9	-26	0	0	115.3
974	F	52.4	Low	65.2	Low	32 Å²	32	69.1 Å²	69.1	14%	0.14	35%	0.354	C	S	.	.			trans	-102.8	16.6	-173.9	-78.7	-121.4	0	0	0	112.6	I972 N976 H977 Y1004 K1008	I972-F974 HydrophobicContact CB-CD2 3.92Å; I972-F974 HydrophobicContact CG2-CD2 3.6Å; I972-F974 HydrophobicContact CG2-CE2 3.82Å; I972-F974 PolarHBondContact O-N 2.83Å; F974-N976 PolarHBondContact O-N 2.82Å; F974-H977 HydrophobicContact CB-CB 4.49Å; F974-H977 AromaticContact CD1-CD2 3.84Å; F974-H977 WeakPolarHBondContact O-CA 3.4Å; F974-H977 WeakPolarHBondContact O-CB 3.28Å; F974-H977 PolarHBondContact O-N 3.02Å; F974-Y1004 HydrophobicContact CD1-CE1 4.15Å; F974-K1008 VanDerWaalsContact CZ-CE 3.5Å
975	I	53.6	Low	64.6	Low	118 Å²	118	69.1 Å²	69.1	61%	0.605	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-55.3	-41.5	177.1	-63.1	174.6	0	0	0	110.9	H977 Y978	I975-H977 PolarHBondContact O-N 3.46Å; I975-Y978 WeakPolarHBondContact O-CB 3.23Å; I975-Y978 PolarHBondContact O-N 2.66Å
976	N	57.5	Low	64.3	Low	140 Å²	140	75.1 Å²	75.1	75%	0.749	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-61.5	-7.2	175	-58.3	9.6	0	0	0	114.4	F974	F974-N976 PolarHBondContact O-N 2.82Å
977	H	58.4	Low	63.7	Low	80 Å²	80	73.9 Å²	73.9	37%	0.37	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-107.7	-4.9	178.8	-71.2	-59.2	0	0	0	113.8	F974 I975 D979 T980 V981 Y1004 K1008	F974-H977 HydrophobicContact CB-CB 4.49Å; F974-H977 AromaticContact CD1-CD2 3.84Å; F974-H977 WeakPolarHBondContact O-CA 3.4Å; F974-H977 WeakPolarHBondContact O-CB 3.28Å; F974-H977 PolarHBondContact O-N 3.02Å; I975-H977 PolarHBondContact O-N 3.46Å; H977-D979 PolarHBondContact O-N 3.34Å; H977-T980 WeakPolarHBondContact CA-OG1 3.42Å; H977-T980 PolarHBondContact O-N 3.1Å; H977-T980 PolarHBondContact O-OG1 3.44Å; H977-V981 WeakPolarHBondContact O-CG2 3.43Å; H977-V981 PolarHBondContact O-N 2.79Å; H977-Y1004 HydrophobicContact CB-CE1 3.88Å; H977-Y1004 VanDerWaalsContact CB-OH 3.31Å; H977-Y1004 WeakPolarHBondContact CB-OH 3.44Å; H977-Y1004 PolarHBondContact ND1-OH 3.48Å; H977-K1008 PolarHBondContact NE2-NZ 2.86Å
978	Y	65.5	Low	63	Low	55 Å²	55	71.4 Å²	71.4	22%	0.216	37%	0.369	C	S	.	.	H	α-helix	trans	-57.9	-48.6	178.7	164.3	-94.6	0	0	0	111.8	N962 I965 K966 I975 T980 V981 L982	N962-Y978 PolarHBondContact ND2-OH 2.55Å; N962-Y978 WeakPolarHBondContact OD1-CE2 3.45Å; N962-Y978 PolarHBondContact OD1-OH 2.91Å; I965-Y978 HydrophobicContact CG2-CD2 4.1Å; I965-Y978 HydrophobicContact CG2-CE2 4.4Å; K966-Y978 HydrophobicContact CB-CE2 4.1Å; K966-Y978 HydrophobicContact CG-CE2 4.36Å; I975-Y978 WeakPolarHBondContact O-CB 3.23Å; I975-Y978 PolarHBondContact O-N 2.66Å; Y978-T980 VanDerWaalsContact C-N 3.32Å; Y978-T980 PolarHBondContact O-N 2.96Å; Y978-V981 PolarHBondContact O-N 3.14Å; Y978-L982 HydrophobicContact CE1-CD2 4.18Å; Y978-L982 VanDerWaalsContact O-CB 3.3Å; Y978-L982 WeakPolarHBondContact O-CB 3.12Å; Y978-L982 PolarHBondContact O-N 3.07Å
979	D	66.1	Low	62.4	Low	108 Å²	108	75.9 Å²	75.9	58%	0.578	40%	0.395	S	S	*	.	H	α-helix	trans	-68.2	-30.5	179.8	-65.3	-56.5	0	0	0	112.8	H977 S983	H977-D979 PolarHBondContact O-N 3.34Å; D979-S983 VanDerWaalsContact O-CB 3.23Å; D979-S983 WeakPolarHBondContact O-CB 3.39Å; D979-S983 PolarHBondContact O-N 2.7Å; D979-S983 PolarHBondContact O-OG 2.86Å
980	T	66.1	Low	62.3	Low	54 Å²	54	78.4 Å²	78.4	33%	0.331	41%	0.406	S	S	.	.	H	α-helix	trans	-69.9	-40.5	173.7	2	0	0	0	0	111.7	H977 Y978 S983 M984	H977-T980 WeakPolarHBondContact CA-OG1 3.42Å; H977-T980 PolarHBondContact O-N 3.1Å; H977-T980 PolarHBondContact O-OG1 3.44Å; Y978-T980 VanDerWaalsContact C-N 3.32Å; Y978-T980 PolarHBondContact O-N 2.96Å; T980-S983 PolarHBondContact O-OG 3.23Å; T980-M984 HydrophobicContact CG2-CE 4.38Å; T980-M984 WeakPolarHBondContact O-CB 3.46Å; T980-M984 WeakPolarHBondContact O-CG 3.5Å; T980-M984 PolarHBondContact O-N 2.81Å; T980-M984 VanDerWaalsContact O-N 3.1Å
981	V	66.8	Low	62.5	Low	6 Å²	6	77.8 Å²	77.8	4%	0.036	40%	0.397	C	S	.	.	H	α-helix	trans	-65.4	-47.9	172.7	172.5	0	0	0	0	110.8	I965 L969 H977 Y978 S983 M984 I985 Y1004	I965-V981 HydrophobicContact CG2-CG1 4.02Å; L969-V981 HydrophobicContact CD1-CB 4.33Å; L969-V981 HydrophobicContact CD1-CG2 4.17Å; H977-V981 WeakPolarHBondContact O-CG2 3.43Å; H977-V981 PolarHBondContact O-N 2.79Å; Y978-V981 PolarHBondContact O-N 3.14Å; V981-S983 PolarHBondContact O-N 3.38Å; V981-M984 PolarHBondContact O-N 3Å; V981-I985 HydrophobicContact CG1-CD1 3.73Å; V981-I985 WeakPolarHBondContact O-CG1 3.46Å; V981-I985 PolarHBondContact O-N 3.3Å; V981-Y1004 HydrophobicContact CG2-CD1 3.9Å; V981-Y1004 HydrophobicContact CG2-CD2 3.51Å; V981-Y1004 HydrophobicContact CG2-CE1 3.77Å; V981-Y1004 HydrophobicContact CG2-CE2 3.35Å; V981-Y1004 HydrophobicContact CG2-CG 3.83Å
982	L	71.1	Confident	63.3	Low	22 Å²	22	70.9 Å²	70.9	12%	0.115	36%	0.364	C	S	.	.	H	α-helix	trans	-66.9	-38.4	-175.8	-168.4	68.2	0	0	0	112.1	N962 I965 Y978 K986	N962-L982 HydrophobicContact CB-CD1 4.36Å; N962-L982 WeakPolarHBondContact OD1-CD1 3.45Å; I965-L982 HydrophobicContact CD1-CD1 4.28Å; Y978-L982 HydrophobicContact CE1-CD2 4.18Å; Y978-L982 VanDerWaalsContact O-CB 3.3Å; Y978-L982 WeakPolarHBondContact O-CB 3.12Å; Y978-L982 PolarHBondContact O-N 3.07Å; L982-K986 HydrophobicContact CG-CD 4.48Å; L982-K986 WeakPolarHBondContact O-CB 3.45Å; L982-K986 VanDerWaalsContact O-CG 3.25Å; L982-K986 WeakPolarHBondContact O-CG 3.21Å; L982-K986 PolarHBondContact O-N 3.19Å
983	S	68.2	Low	64.4	Low	61 Å²	61	67.9 Å²	67.9	43%	0.427	35%	0.349	S	S	.	.	H	α-helix	trans	-68.6	-43	173.3	54.9	0	0	0	0	112.2	D979 T980 V981 I985 K986 T987	D979-S983 VanDerWaalsContact O-CB 3.23Å; D979-S983 WeakPolarHBondContact O-CB 3.39Å; D979-S983 PolarHBondContact O-N 2.7Å; D979-S983 PolarHBondContact O-OG 2.86Å; T980-S983 PolarHBondContact O-OG 3.23Å; V981-S983 PolarHBondContact O-N 3.38Å; S983-I985 PolarHBondContact O-N 2.84Å; S983-K986 PolarHBondContact O-N 3.34Å; S983-T987 PolarHBondContact O-N 3.35Å; S983-T987 PolarHBondContact O-OG1 3.07Å
984	M	64.2	Low	65.7	Low	42 Å²	42	60.2 Å²	60.2	21%	0.207	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-45.5	175.4	-74	-179.6	-169.1	0	0	112.1	T980 V981 K986 T987 V988 L1011 M1015	T980-M984 HydrophobicContact CG2-CE 4.38Å; T980-M984 WeakPolarHBondContact O-CB 3.46Å; T980-M984 WeakPolarHBondContact O-CG 3.5Å; T980-M984 PolarHBondContact O-N 2.81Å; T980-M984 VanDerWaalsContact O-N 3.1Å; V981-M984 PolarHBondContact O-N 3Å; M984-K986 PolarHBondContact O-N 3.22Å; M984-T987 WeakPolarHBondContact CA-OG1 3.28Å; M984-T987 PolarHBondContact O-N 3.16Å; M984-T987 VanDerWaalsContact O-N 3.08Å; M984-T987 PolarHBondContact O-OG1 3.18Å; M984-V988 PolarHBondContact O-N 2.79Å; M984-L1011 HydrophobicContact SD-CB 4.37Å; M984-M1015 HydrophobicContact CB-CE 3.94Å
985	I	67.9	Low	66.8	Low	4 Å²	4	59.3 Å²	59.3	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-41.7	177.3	-70	171.1	0	0	0	111.2	F958 I965 V981 S983 T987 V988 F992 L997 M1015	F958-I985 HydrophobicContact CE1-CG2 4.5Å; I965-I985 HydrophobicContact CD1-CD1 3.63Å; I965-I985 HydrophobicContact CG1-CD1 4.33Å; V981-I985 HydrophobicContact CG1-CD1 3.73Å; V981-I985 WeakPolarHBondContact O-CG1 3.46Å; V981-I985 PolarHBondContact O-N 3.3Å; S983-I985 PolarHBondContact O-N 2.84Å; I985-T987 PolarHBondContact O-N 3.27Å; I985-V988 PolarHBondContact O-N 3.17Å; I985-V988 VanDerWaalsContact O-N 3.16Å; I985-F992 HydrophobicContact CG2-CE2 4.42Å; I985-L997 HydrophobicContact CD1-CD1 3.97Å; I985-M1015 HydrophobicContact CG1-CE 4.06Å
986	K	68.6	Low	67.9	Low	127 Å²	127	54.4 Å²	54.4	55%	0.552	29%	0.286	S	S	*	.	H	α-helix	trans	-59.9	-31	172.9	-76.1	171.9	179.5	176.8	0	113.1	L982 S983 M984	L982-K986 HydrophobicContact CG-CD 4.48Å; L982-K986 WeakPolarHBondContact O-CB 3.45Å; L982-K986 VanDerWaalsContact O-CG 3.25Å; L982-K986 WeakPolarHBondContact O-CG 3.21Å; L982-K986 PolarHBondContact O-N 3.19Å; S983-K986 PolarHBondContact O-N 3.34Å; M984-K986 PolarHBondContact O-N 3.22Å
987	T	64	Low	68.8	Low	112 Å²	112	47.8 Å²	47.8	69%	0.687	25%	0.251	S	S	*	.	H	α-helix	trans	-77.3	-18.4	176.1	55	0	0	0	0	115.3	S983 M984 I985	S983-T987 PolarHBondContact O-N 3.35Å; S983-T987 PolarHBondContact O-OG1 3.07Å; M984-T987 WeakPolarHBondContact CA-OG1 3.28Å; M984-T987 PolarHBondContact O-N 3.16Å; M984-T987 VanDerWaalsContact O-N 3.08Å; M984-T987 PolarHBondContact O-OG1 3.18Å; I985-T987 PolarHBondContact O-N 3.27Å
988	V	61.7	Low	69.7	Low	13 Å²	13	46.3 Å²	46.3	8%	0.079	24%	0.243	C	C	.	.	H	α-helix	trans	-78	-32.3	176.7	-179.4	0	0	0	0	111.3	M984 I985 K990 F992 M1015 I1018 K1019	M984-V988 PolarHBondContact O-N 2.79Å; I985-V988 PolarHBondContact O-N 3.17Å; I985-V988 VanDerWaalsContact O-N 3.16Å; V988-K990 HydrophobicContact CG1-CB 3.89Å; V988-K990 PolarHBondContact O-N 3.37Å; V988-F992 HydrophobicContact CG1-CZ 4.19Å; V988-M1015 HydrophobicContact CG2-CE 3.76Å; V988-I1018 HydrophobicContact CG1-CG2 4.12Å; V988-K1019 HydrophobicContact CG1-CG 4.47Å
989	N	62.6	Low	70.1	Confident	133 Å²	133	43.8 Å²	43.8	71%	0.711	23%	0.234	S	C	*	.			trans	56.4	33.7	179.1	-158	43.4	0	0	0	114.4
990	K	67.3	Low	70.5	Confident	59 Å²	59	39.1 Å²	39.1	26%	0.257	21%	0.208	S	C	.	.			trans	-120.2	137.5	174.3	-170.5	176.5	176.8	178.6	0	107.2	V988 F992 I1018 K1019 Y1021	V988-K990 HydrophobicContact CG1-CB 3.89Å; V988-K990 PolarHBondContact O-N 3.37Å; K990-F992 HydrophobicContact CB-CZ 4.47Å; K990-F992 WeakPolarHBondContact O-CE2 3.43Å; K990-I1018 PolarHBondContact NZ-O 3.33Å; K990-K1019 PolarHBondContact NZ-O 2.94Å; K990-Y1021 PolarHBondContact NZ-O 3.32Å
991	L	68.9	Low	70.9	Confident	61 Å²	61	36.7 Å²	36.7	32%	0.319	19%	0.194	S	C	.	.			trans	-78.9	158.7	170.3	-58.9	-179.9	0	0	0	109	E955 F958 M961	E955-L991 HydrophobicContact CB-CB 3.78Å; F958-L991 HydrophobicContact CD2-CD2 3.68Å; F958-L991 HydrophobicContact CE2-CD2 3.51Å; F958-L991 HydrophobicContact CG-CD2 4.38Å; F958-L991 HydrophobicContact CZ-CD2 4.08Å; M961-L991 HydrophobicContact CE-CD2 3.72Å
992	F	73.5	Confident	71.1	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.018	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-130	147.7	-178	-67.2	-77.4	0	0	0	111.5	L956 M961 I985 V988 K990 Q996 L997 I1000 I1018	L956-F992 WeakPolarHBondContact CB-O 3.5Å; L956-F992 PolarHBondContact N-O 3.41Å; M961-F992 HydrophobicContact SD-CB 4.03Å; M961-F992 HydrophobicContact SD-CD2 3.99Å; I985-F992 HydrophobicContact CG2-CE2 4.42Å; V988-F992 HydrophobicContact CG1-CZ 4.19Å; K990-F992 HydrophobicContact CB-CZ 4.47Å; K990-F992 WeakPolarHBondContact O-CE2 3.43Å; F992-Q996 HydrophobicContact CB-CB 4.35Å; F992-Q996 HydrophobicContact CD1-CB 4.14Å; F992-L997 HydrophobicContact CB-CB 4.21Å; F992-I1000 HydrophobicContact CD1-CD1 3.79Å; F992-I1000 HydrophobicContact CE1-CD1 3.51Å; F992-I1000 HydrophobicContact CE2-CD1 4.45Å; F992-I1000 HydrophobicContact CG-CD1 4.36Å; F992-I1000 HydrophobicContact CZ-CD1 3.87Å; F992-I1018 HydrophobicContact CE1-CG2 4.03Å; F992-I1018 HydrophobicContact CZ-CG2 3.8Å
993	Q	75.6	Confident	71	Confident	8 Å²	8	37.1 Å²	37.1	4%	0.037	20%	0.195	C	C	.	.			trans	-75.6	156.7	167.4	-64.3	-172.1	34.2	0	0	111.2	E768 E955 L995 Q996 L997	E768-Q993 PolarHBondContact OE1-NE2 3.3Å; E768-Q993 PolarHBondContact OE2-NE2 2.92Å; E955-Q993 HydrophobicContact CG-CG 3.96Å; Q993-L995 VanDerWaalsContact C-N 3.26Å; Q993-L995 PolarHBondContact O-N 2.98Å; Q993-Q996 HydrophobicContact CB-CG 4.17Å; Q993-Q996 PolarHBondContact O-N 2.97Å; Q993-Q996 VanDerWaalsContact O-N 3.09Å; Q993-L997 WeakPolarHBondContact O-CB 3.27Å; Q993-L997 PolarHBondContact O-N 3.28Å
994	P	79.4	Confident	71.1	Confident	26 Å²	26	35 Å²	35	17%	0.169	18%	0.178	C	C	.	.	H	α-helix	trans	-52	-41.8	179.7	-26.1	33.1	0	0	0	113.7	L956 K998	L956-P994 HydrophobicContact CD1-CB 4.29Å; L956-P994 HydrophobicContact CD1-CG 3.92Å; L956-P994 HydrophobicContact CD2-CG 4.21Å; L956-P994 HydrophobicContact CG-CG 4.04Å; P994-K998 VanDerWaalsContact O-CB 3.31Å; P994-K998 WeakPolarHBondContact O-CB 3.39Å; P994-K998 PolarHBondContact O-N 3.05Å
995	L	76.5	Confident	71.3	Confident	12 Å²	12	35.6 Å²	35.6	6%	0.063	18%	0.178	C	C	.	.	H	α-helix	trans	-66.3	-45.7	177.3	-179.9	60.3	0	0	0	112.9	G770 Q993 K998 I999 Y1027	G770-L995 PolarHBondContact O-N 3.36Å; Q993-L995 VanDerWaalsContact C-N 3.26Å; Q993-L995 PolarHBondContact O-N 2.98Å; L995-K998 PolarHBondContact O-N 3.49Å; L995-I999 HydrophobicContact CD1-CD1 4.15Å; L995-I999 HydrophobicContact CD1-CG1 4.39Å; L995-I999 HydrophobicContact CG-CD1 4.07Å; L995-I999 WeakPolarHBondContact O-CG1 3.29Å; L995-I999 PolarHBondContact O-N 3.33Å; L995-Y1027 HydrophobicContact CD2-CE1 4.43Å; L995-Y1027 WeakPolarHBondContact CD2-OH 3.46Å
996	Q	76	Confident	71.2	Confident	16 Å²	16	39.4 Å²	39.4	8%	0.075	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-47.9	178	-63	169.1	-16.4	0	0	110.8	F992 Q993 K998 I999 I1000 N1023 L1026	F992-Q996 HydrophobicContact CB-CB 4.35Å; F992-Q996 HydrophobicContact CD1-CB 4.14Å; Q993-Q996 HydrophobicContact CB-CG 4.17Å; Q993-Q996 PolarHBondContact O-N 2.97Å; Q993-Q996 VanDerWaalsContact O-N 3.09Å; Q996-K998 VanDerWaalsContact C-N 3.33Å; Q996-K998 PolarHBondContact O-N 3.46Å; Q996-I999 PolarHBondContact O-N 3.27Å; Q996-I1000 WeakPolarHBondContact O-CG1 3.26Å; Q996-I1000 PolarHBondContact O-N 3Å; Q996-N1023 VanDerWaalsContact CG-OD1 3.28Å; Q996-N1023 WeakPolarHBondContact CG-OD1 3.41Å; Q996-N1023 PolarHBondContact NE2-OD1 3.21Å; Q996-L1026 HydrophobicContact CB-CD1 3.95Å; Q996-L1026 HydrophobicContact CG-CD1 3.85Å
997	L	76.9	Confident	70.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.4	-41.3	177.2	-175	64.3	0	0	0	111.5	L956 M961 C964 I965 W968 I985 F992 Q993 I1000 I1001	L956-L997 HydrophobicContact CD1-CD2 3.9Å; M961-L997 HydrophobicContact CB-CD2 4.19Å; M961-L997 HydrophobicContact CG-CD2 4.03Å; C964-L997 HydrophobicContact CB-CD2 3.88Å; I965-L997 HydrophobicContact CD1-CD1 4.38Å; I965-L997 HydrophobicContact CG1-CD1 4.22Å; I965-L997 HydrophobicContact CG1-CD2 4.49Å; W968-L997 HydrophobicContact CZ3-CB 4.36Å; W968-L997 HydrophobicContact CZ3-CD2 4.1Å; W968-L997 HydrophobicContact CZ3-CG 4.1Å; I985-L997 HydrophobicContact CD1-CD1 3.97Å; F992-L997 HydrophobicContact CB-CB 4.21Å; Q993-L997 WeakPolarHBondContact O-CB 3.27Å; Q993-L997 PolarHBondContact O-N 3.28Å; L997-I1000 PolarHBondContact O-N 3.22Å; L997-I1001 HydrophobicContact CD1-CD1 4.06Å; L997-I1001 HydrophobicContact CG-CD1 3.89Å; L997-I1001 WeakPolarHBondContact O-CB 3.1Å; L997-I1001 WeakPolarHBondContact O-CD1 3.33Å; L997-I1001 WeakPolarHBondContact O-CG1 3.4Å; L997-I1001 PolarHBondContact O-N 2.97Å
998	K	76.8	Confident	70.6	Confident	49 Å²	49	34.7 Å²	34.7	21%	0.213	16%	0.163	C	C	.	.	H	α-helix	trans	-66.6	-38.3	177.2	-153.4	179.6	-163.2	-170.5	0	112.4	W968 P994 L995 Q996 Q1002 S1135 L1136	W968-K998 HydrophobicContact CE3-CB 4.47Å; W968-K998 HydrophobicContact CE3-CG 4.32Å; W968-K998 HydrophobicContact CH2-CB 4.01Å; W968-K998 HydrophobicContact CH2-CD 4.37Å; W968-K998 HydrophobicContact CH2-CG 4.16Å; W968-K998 HydrophobicContact CZ2-CD 4.3Å; W968-K998 HydrophobicContact CZ2-CG 4.4Å; W968-K998 HydrophobicContact CZ3-CB 3.88Å; W968-K998 HydrophobicContact CZ3-CG 4.12Å; P994-K998 VanDerWaalsContact O-CB 3.31Å; P994-K998 WeakPolarHBondContact O-CB 3.39Å; P994-K998 PolarHBondContact O-N 3.05Å; L995-K998 PolarHBondContact O-N 3.49Å; Q996-K998 VanDerWaalsContact C-N 3.33Å; Q996-K998 PolarHBondContact O-N 3.46Å; K998-Q1002 WeakPolarHBondContact O-CB 3.45Å; K998-Q1002 PolarHBondContact O-N 3.36Å; K998-S1135 WeakPolarHBondContact CE-O 3.37Å; K998-S1135 PolarHBondContact NZ-O 2.93Å; K998-L1136 HydrophobicContact CB-CD2 4.35Å; K998-L1136 HydrophobicContact CD-CD2 4.46Å; K998-L1136 HydrophobicContact CG-CD2 4.13Å
999	I	73.9	Confident	70.3	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.015	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-46.7	173	-67.9	165.5	0	0	0	110.5	L995 Q996 I1001 Q1002 L1003 L1026 Y1027 L1136	L995-I999 HydrophobicContact CD1-CD1 4.15Å; L995-I999 HydrophobicContact CD1-CG1 4.39Å; L995-I999 HydrophobicContact CG-CD1 4.07Å; L995-I999 WeakPolarHBondContact O-CG1 3.29Å; L995-I999 PolarHBondContact O-N 3.33Å; Q996-I999 PolarHBondContact O-N 3.27Å; I999-I1001 VanDerWaalsContact C-N 3.34Å; I999-I1001 PolarHBondContact O-N 3.33Å; I999-Q1002 PolarHBondContact O-N 2.93Å; I999-L1003 HydrophobicContact CG2-CD1 4.08Å; I999-L1003 WeakPolarHBondContact O-CG 3.38Å; I999-L1003 PolarHBondContact O-N 3.24Å; I999-L1026 HydrophobicContact CG2-CB 4.39Å; I999-Y1027 HydrophobicContact CD1-CD1 4.32Å; I999-Y1027 HydrophobicContact CD1-CE1 4.2Å; I999-L1136 HydrophobicContact CG1-CD1 4.28Å; I999-L1136 HydrophobicContact CG1-CD2 4.04Å
1000	I	73.9	Confident	69.9	Low	9 Å²	9	40 Å²	40	5%	0.046	19%	0.185	C	C	.	.	H	α-helix	trans	-60.4	-42.6	178.5	-68.5	165.3	0	0	0	111.3	F992 Q996 L997 L1003 Y1004 M1015 I1018	F992-I1000 HydrophobicContact CD1-CD1 3.79Å; F992-I1000 HydrophobicContact CE1-CD1 3.51Å; F992-I1000 HydrophobicContact CE2-CD1 4.45Å; F992-I1000 HydrophobicContact CG-CD1 4.36Å; F992-I1000 HydrophobicContact CZ-CD1 3.87Å; Q996-I1000 WeakPolarHBondContact O-CG1 3.26Å; Q996-I1000 PolarHBondContact O-N 3Å; L997-I1000 PolarHBondContact O-N 3.22Å; I1000-L1003 PolarHBondContact O-N 2.89Å; I1000-Y1004 WeakPolarHBondContact O-CB 3.48Å; I1000-Y1004 PolarHBondContact O-N 3.15Å; I1000-M1015 HydrophobicContact CG2-SD 4.22Å; I1000-I1018 HydrophobicContact CD1-CD1 4.29Å; I1000-I1018 HydrophobicContact CG1-CD1 4.13Å
1001	I	74.5	Confident	69.2	Low	4 Å²	4	37.8 Å²	37.8	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-70.2	-34.5	177.5	-70.5	161.7	0	0	0	111.9	I965 W968 L969 L997 I999 Y1004 R1005	I965-I1001 HydrophobicContact CG1-CD1 3.94Å; W968-I1001 HydrophobicContact CB-CG2 4.42Å; W968-I1001 HydrophobicContact CE3-CD1 3.74Å; W968-I1001 HydrophobicContact CZ3-CD1 4.39Å; L969-I1001 HydrophobicContact CD2-CG2 4.22Å; L997-I1001 HydrophobicContact CD1-CD1 4.06Å; L997-I1001 HydrophobicContact CG-CD1 3.89Å; L997-I1001 WeakPolarHBondContact O-CB 3.1Å; L997-I1001 WeakPolarHBondContact O-CD1 3.33Å; L997-I1001 WeakPolarHBondContact O-CG1 3.4Å; L997-I1001 PolarHBondContact O-N 2.97Å; I999-I1001 VanDerWaalsContact C-N 3.34Å; I999-I1001 PolarHBondContact O-N 3.33Å; I1001-Y1004 WeakPolarHBondContact O-CB 3.25Å; I1001-Y1004 PolarHBondContact O-N 2.96Å; I1001-R1005 WeakPolarHBondContact O-CG 3.43Å; I1001-R1005 PolarHBondContact O-N 2.81Å
1002	Q	71.2	Confident	68.5	Low	16 Å²	16	42.6 Å²	42.6	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-69.9	-37.2	174.7	-161.4	66.8	-5.1	0	0	111.4	K998 I999 R1005 Y1006 E1131 F1132 L1136	K998-Q1002 WeakPolarHBondContact O-CB 3.45Å; K998-Q1002 PolarHBondContact O-N 3.36Å; I999-Q1002 PolarHBondContact O-N 2.93Å; Q1002-R1005 PolarHBondContact O-N 2.98Å; Q1002-Y1006 HydrophobicContact CG-CE2 4.32Å; Q1002-Y1006 VanDerWaalsContact O-CD2 3.23Å; Q1002-Y1006 WeakPolarHBondContact O-CD2 3.27Å; Q1002-E1131 PolarHBondContact NE2-O 3.11Å; Q1002-F1132 HydrophobicContact CG-CE1 4.5Å; Q1002-L1136 HydrophobicContact CB-CD2 4.2Å
1003	L	70.3	Confident	67.8	Low	21 Å²	21	46.3 Å²	46.3	11%	0.11	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-40.8	169.2	-68.6	168.2	0	0	0	111.6	I999 I1000 R1005 Y1006 E1007 I1029 Y1033	I999-L1003 HydrophobicContact CG2-CD1 4.08Å; I999-L1003 WeakPolarHBondContact O-CG 3.38Å; I999-L1003 PolarHBondContact O-N 3.24Å; I1000-L1003 PolarHBondContact O-N 2.89Å; L1003-R1005 VanDerWaalsContact C-N 3.33Å; L1003-R1005 PolarHBondContact O-N 3.28Å; L1003-Y1006 PolarHBondContact O-N 2.92Å; L1003-E1007 PolarHBondContact O-N 3.11Å; L1003-E1007 VanDerWaalsContact O-N 3.08Å; L1003-I1029 HydrophobicContact CD1-CG2 3.83Å; L1003-I1029 HydrophobicContact CD2-CG2 4.21Å; L1003-Y1033 HydrophobicContact CD2-CD2 4.37Å; L1003-Y1033 HydrophobicContact CD2-CG 4.15Å
1004	Y	69	Low	66.9	Low	16 Å²	16	47.8 Å²	47.8	6%	0.063	23%	0.227	C	C	.	.	H	α-helix	trans	-58.7	-41.2	177.2	-173.2	-81.6	0	0	0	112.9	F974 H977 V981 I1000 I1001 Y1006 L1011	F974-Y1004 HydrophobicContact CD1-CE1 4.15Å; H977-Y1004 HydrophobicContact CB-CE1 3.88Å; H977-Y1004 VanDerWaalsContact CB-OH 3.31Å; H977-Y1004 WeakPolarHBondContact CB-OH 3.44Å; H977-Y1004 PolarHBondContact ND1-OH 3.48Å; V981-Y1004 HydrophobicContact CG2-CD1 3.9Å; V981-Y1004 HydrophobicContact CG2-CD2 3.51Å; V981-Y1004 HydrophobicContact CG2-CE1 3.77Å; V981-Y1004 HydrophobicContact CG2-CE2 3.35Å; V981-Y1004 HydrophobicContact CG2-CG 3.83Å; I1000-Y1004 WeakPolarHBondContact O-CB 3.48Å; I1000-Y1004 PolarHBondContact O-N 3.15Å; I1001-Y1004 WeakPolarHBondContact O-CB 3.25Å; I1001-Y1004 PolarHBondContact O-N 2.96Å; Y1004-Y1006 PolarHBondContact O-N 2.84Å; Y1004-L1011 HydrophobicContact CD2-CD1 3.25Å; Y1004-L1011 HydrophobicContact CD2-CD2 3.64Å; Y1004-L1011 HydrophobicContact CD2-CG 4.05Å; Y1004-L1011 HydrophobicContact CE2-CD1 3.38Å; Y1004-L1011 HydrophobicContact CE2-CD2 4.41Å; Y1004-L1011 HydrophobicContact CE2-CG 4.46Å; Y1004-L1011 HydrophobicContact CG-CD1 4.02Å; Y1004-L1011 HydrophobicContact CG-CD2 4.42Å
1005	R	68.8	Low	65.8	Low	55 Å²	55	47.4 Å²	47.4	21%	0.208	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-25.6	179.9	-78.1	165.2	166.2	-163.2	-7.9	113.2	W968 I972 I1001 Q1002 L1003	W968-R1005 PolarHBondContact O-NH2 2.65Å; I972-R1005 HydrophobicContact CD1-CG 4.31Å; I1001-R1005 WeakPolarHBondContact O-CG 3.43Å; I1001-R1005 PolarHBondContact O-N 2.81Å; Q1002-R1005 PolarHBondContact O-N 2.98Å; L1003-R1005 VanDerWaalsContact C-N 3.33Å; L1003-R1005 PolarHBondContact O-N 3.28Å
1006	Y	65.4	Low	64.9	Low	83 Å²	83	52.7 Å²	52.7	33%	0.325	25%	0.251	S	S	.	.	H	α-helix	trans	-112.4	-37.8	-173.9	-64.9	-75.4	0	0	0	116	Q1002 L1003 Y1004 Y1033 F1132	Q1002-Y1006 HydrophobicContact CG-CE2 4.32Å; Q1002-Y1006 VanDerWaalsContact O-CD2 3.23Å; Q1002-Y1006 WeakPolarHBondContact O-CD2 3.27Å; L1003-Y1006 PolarHBondContact O-N 2.92Å; Y1004-Y1006 PolarHBondContact O-N 2.84Å; Y1006-Y1033 WeakPolarHBondContact CB-OH 2.98Å; Y1006-Y1033 WeakPolarHBondContact CD1-OH 3.26Å; Y1006-Y1033 HydrophobicContact CD2-CE1 4.41Å; Y1006-Y1033 AromaticContact CG-CZ 3.88Å; Y1006-F1132 HydrophobicContact CD2-CE1 4.3Å; Y1006-F1132 HydrophobicContact CD2-CZ 4.14Å; Y1006-F1132 AromaticContact CE2-CE1 3.87Å; Y1006-F1132 HydrophobicContact CE2-CE1 3.87Å; Y1006-F1132 AromaticContact CE2-CZ 3.54Å; Y1006-F1132 HydrophobicContact CE2-CZ 3.54Å; Y1006-F1132 AromaticContact CZ-CZ 3.83Å
1007	E	61.5	Low	64	Low	46 Å²	46	55.9 Å²	55.9	22%	0.215	27%	0.269	C	S	.	.			trans	-109.8	69.5	-179.6	-68.6	-146.1	169.6	0	0	114.2	L1003 H1009 N1010 L1011 Y1033 K1036	L1003-E1007 PolarHBondContact O-N 3.11Å; L1003-E1007 VanDerWaalsContact O-N 3.08Å; E1007-H1009 PolarHBondContact O-N 3.47Å; E1007-N1010 HydrophobicContact CB-CB 4.48Å; E1007-N1010 PolarHBondContact O-N 2.89Å; E1007-N1010 WeakPolarHBondContact OE2-CB 3.19Å; E1007-N1010 PolarHBondContact OE2-ND2 2.98Å; E1007-L1011 WeakPolarHBondContact O-CD1 3.3Å; E1007-Y1033 HydrophobicContact CG-CD2 4.33Å; E1007-Y1033 HydrophobicContact CG-CE2 4.05Å; E1007-K1036 IonicContact OE1-NZ 2.78Å; E1007-K1036 PolarHBondContact OE1-NZ 3.33Å
1008	K	59.4	Low	63	Low	94 Å²	94	56 Å²	56	41%	0.409	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-27	178.8	-67.7	-166.1	177.2	-169.1	0	115.6	F974 H977	F974-K1008 VanDerWaalsContact CZ-CE 3.5Å; H977-K1008 PolarHBondContact NE2-NZ 2.86Å
1009	H	54.3	Low	61.7	Low	183 Å²	183	59.7 Å²	59.7	85%	0.847	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-20.6	-172.1	-68.3	-79.3	0	0	0	115.4	E1007	E1007-H1009 PolarHBondContact O-N 3.47Å
1010	N	55.3	Low	60.9	Low	74 Å²	74	66 Å²	66	40%	0.396	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	0.1	-176.1	-77.9	-23.3	0	0	0	114.4	E1007 K1012 T1013 V1014	E1007-N1010 HydrophobicContact CB-CB 4.48Å; E1007-N1010 PolarHBondContact O-N 2.89Å; E1007-N1010 WeakPolarHBondContact OE2-CB 3.19Å; E1007-N1010 PolarHBondContact OE2-ND2 2.98Å; N1010-K1012 VanDerWaalsContact C-N 3.25Å; N1010-K1012 PolarHBondContact O-N 3.14Å; N1010-T1013 PolarHBondContact O-N 3.41Å; N1010-T1013 VanDerWaalsContact O-N 3.13Å; N1010-T1013 PolarHBondContact O-OG1 3.28Å; N1010-V1014 PolarHBondContact O-N 2.85Å; N1010-V1014 VanDerWaalsContact O-N 3.13Å
1011	L	52.1	Low	60.3	Low	14 Å²	14	68.3 Å²	68.3	7%	0.073	33%	0.328	C	S	.	.	H	α-helix	trans	-58.9	-31.5	-177	-81.9	144.7	0	0	0	114.2	M984 Y1004 E1007 T1013 M1015	M984-L1011 HydrophobicContact SD-CB 4.37Å; Y1004-L1011 HydrophobicContact CD2-CD1 3.25Å; Y1004-L1011 HydrophobicContact CD2-CD2 3.64Å; Y1004-L1011 HydrophobicContact CD2-CG 4.05Å; Y1004-L1011 HydrophobicContact CE2-CD1 3.38Å; Y1004-L1011 HydrophobicContact CE2-CD2 4.41Å; Y1004-L1011 HydrophobicContact CE2-CG 4.46Å; Y1004-L1011 HydrophobicContact CG-CD1 4.02Å; Y1004-L1011 HydrophobicContact CG-CD2 4.42Å; E1007-L1011 WeakPolarHBondContact O-CD1 3.3Å; L1011-T1013 PolarHBondContact O-N 3.08Å; L1011-M1015 HydrophobicContact CD2-CG 4.34Å; L1011-M1015 WeakPolarHBondContact O-CB 3.28Å; L1011-M1015 WeakPolarHBondContact O-CG 3.42Å; L1011-M1015 PolarHBondContact O-N 2.84Å
1012	K	54.6	Low	59.9	Low	162 Å²	162	72.9 Å²	72.9	70%	0.704	35%	0.352	S	S	*	.	H	α-helix	trans	-68.4	-29.9	177.7	-89.3	-171.8	173.4	-178.5	0	113.9	N1010 N1016	N1010-K1012 VanDerWaalsContact C-N 3.25Å; N1010-K1012 PolarHBondContact O-N 3.14Å; K1012-N1016 PolarHBondContact O-ND2 3.39Å
1013	T	59	Low	59.6	Low	82 Å²	82	73 Å²	73	50%	0.503	35%	0.353	S	S	.	.	H	α-helix	trans	-78	-51.6	172	35.6	0	0	0	0	110	N1010 L1011 M1015 N1016 D1017	N1010-T1013 PolarHBondContact O-N 3.41Å; N1010-T1013 VanDerWaalsContact O-N 3.13Å; N1010-T1013 PolarHBondContact O-OG1 3.28Å; L1011-T1013 PolarHBondContact O-N 3.08Å; T1013-M1015 VanDerWaalsContact C-N 3.32Å; T1013-M1015 PolarHBondContact O-N 3.12Å; T1013-N1016 WeakPolarHBondContact O-CB 3.23Å; T1013-N1016 PolarHBondContact O-N 3.15Å; T1013-N1016 VanDerWaalsContact O-N 3.07Å; T1013-D1017 PolarHBondContact O-N 2.84Å
1014	V	56.6	Low	59.5	Low	39 Å²	39	74 Å²	74	24%	0.236	36%	0.356	C	S	.	.	H	α-helix	trans	-58.7	-39.7	-179	-178.3	0	0	0	0	112.5	N1010 D1017 I1018	N1010-V1014 PolarHBondContact O-N 2.85Å; N1010-V1014 VanDerWaalsContact O-N 3.13Å; V1014-D1017 PolarHBondContact O-N 3.23Å; V1014-I1018 HydrophobicContact CG1-CD1 3.91Å; V1014-I1018 HydrophobicContact CG1-CG1 4.45Å; V1014-I1018 WeakPolarHBondContact O-CB 3.33Å; V1014-I1018 VanDerWaalsContact O-CG1 3.26Å; V1014-I1018 WeakPolarHBondContact O-CG1 3.34Å; V1014-I1018 PolarHBondContact O-N 3.49Å; V1014-I1018 VanDerWaalsContact O-N 3.13Å
1015	M	55.4	Low	59.5	Low	17 Å²	17	76.6 Å²	76.6	8%	0.084	37%	0.369	C	S	.	.	H	α-helix	trans	-75.4	-20.4	179	-66.7	-72.4	-80.7	0	0	114.1	M984 I985 V988 I1000 L1011 T1013 I1018	M984-M1015 HydrophobicContact CB-CE 3.94Å; I985-M1015 HydrophobicContact CG1-CE 4.06Å; V988-M1015 HydrophobicContact CG2-CE 3.76Å; I1000-M1015 HydrophobicContact CG2-SD 4.22Å; L1011-M1015 HydrophobicContact CD2-CG 4.34Å; L1011-M1015 WeakPolarHBondContact O-CB 3.28Å; L1011-M1015 WeakPolarHBondContact O-CG 3.42Å; L1011-M1015 PolarHBondContact O-N 2.84Å; T1013-M1015 VanDerWaalsContact C-N 3.32Å; T1013-M1015 PolarHBondContact O-N 3.12Å; M1015-I1018 HydrophobicContact SD-CD1 3.67Å
1016	N	58.7	Low	59.5	Low	123 Å²	123	74.2 Å²	74.2	66%	0.658	36%	0.36	S	S	*	.	H	α-helix	trans	-71.9	-39.7	171.5	-78.5	-11.6	0	0	0	110.7	K1012 T1013	K1012-N1016 PolarHBondContact O-ND2 3.39Å; T1013-N1016 WeakPolarHBondContact O-CB 3.23Å; T1013-N1016 PolarHBondContact O-N 3.15Å; T1013-N1016 VanDerWaalsContact O-N 3.07Å
1017	D	56.4	Low	59.8	Low	83 Å²	83	70.3 Å²	70.3	44%	0.444	35%	0.345	S	S	.	.	H	α-helix	trans	-77.6	-23.6	-179	-53.1	-18.3	0	0	0	112.8	T1013 V1014 K1019 D1020 Y1021	T1013-D1017 PolarHBondContact O-N 2.84Å; V1014-D1017 PolarHBondContact O-N 3.23Å; D1017-K1019 PolarHBondContact O-N 3.22Å; D1017-D1020 PolarHBondContact O-N 3.49Å; D1017-Y1021 HydrophobicContact CB-CD2 4.41Å; D1017-Y1021 HydrophobicContact CB-CE2 3.44Å; D1017-Y1021 VanDerWaalsContact CB-CE2 3.44Å; D1017-Y1021 WeakPolarHBondContact CB-OH 3.14Å; D1017-Y1021 PolarHBondContact OD2-OH 3.28Å
1018	I	55.5	Low	60.3	Low	4 Å²	4	70.7 Å²	70.7	2%	0.021	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-11.2	-176.7	-92	169.3	0	0	0	115.4	V988 K990 F992 I1000 V1014 M1015 D1020 Y1021	V988-I1018 HydrophobicContact CG1-CG2 4.12Å; K990-I1018 PolarHBondContact NZ-O 3.33Å; F992-I1018 HydrophobicContact CE1-CG2 4.03Å; F992-I1018 HydrophobicContact CZ-CG2 3.8Å; I1000-I1018 HydrophobicContact CD1-CD1 4.29Å; I1000-I1018 HydrophobicContact CG1-CD1 4.13Å; V1014-I1018 HydrophobicContact CG1-CD1 3.91Å; V1014-I1018 HydrophobicContact CG1-CG1 4.45Å; V1014-I1018 WeakPolarHBondContact O-CB 3.33Å; V1014-I1018 VanDerWaalsContact O-CG1 3.26Å; V1014-I1018 WeakPolarHBondContact O-CG1 3.34Å; V1014-I1018 PolarHBondContact O-N 3.49Å; V1014-I1018 VanDerWaalsContact O-N 3.13Å; M1015-I1018 HydrophobicContact SD-CD1 3.67Å; I1018-D1020 VanDerWaalsContact C-N 3.28Å; I1018-D1020 PolarHBondContact O-N 2.78Å; I1018-Y1021 HydrophobicContact CB-CD2 4.45Å; I1018-Y1021 HydrophobicContact CG1-CD2 3.83Å; I1018-Y1021 HydrophobicContact CG1-CE2 4.42Å
1019	K	50.7	Low	60.9	Low	125 Å²	125	67.7 Å²	67.7	54%	0.543	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-41.3	174.8	-75.5	-172.5	173.4	-178.3	0	112.5	V988 K990 D1017	V988-K1019 HydrophobicContact CG1-CG 4.47Å; K990-K1019 PolarHBondContact NZ-O 2.94Å; D1017-K1019 PolarHBondContact O-N 3.22Å
1020	D	57.1	Low	61.8	Low	135 Å²	135	59.3 Å²	59.3	72%	0.722	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-20.2	-171.4	-59	-31.7	0	0	0	113.4	D1017 I1018 N1022	D1017-D1020 PolarHBondContact O-N 3.49Å; I1018-D1020 VanDerWaalsContact C-N 3.28Å; I1018-D1020 PolarHBondContact O-N 2.78Å; D1020-N1022 PolarHBondContact O-N 3.42Å
1021	Y	61.5	Low	62.7	Low	59 Å²	59	56 Å²	56	23%	0.231	28%	0.28	C	S	.	.			trans	-60.6	127	-174.7	-67.3	-37.9	0	0	0	114.4	K990 D1017 I1018 E1025 I1029	K990-Y1021 PolarHBondContact NZ-O 3.32Å; D1017-Y1021 HydrophobicContact CB-CD2 4.41Å; D1017-Y1021 HydrophobicContact CB-CE2 3.44Å; D1017-Y1021 VanDerWaalsContact CB-CE2 3.44Å; D1017-Y1021 WeakPolarHBondContact CB-OH 3.14Å; D1017-Y1021 PolarHBondContact OD2-OH 3.28Å; I1018-Y1021 HydrophobicContact CB-CD2 4.45Å; I1018-Y1021 HydrophobicContact CG1-CD2 3.83Å; I1018-Y1021 HydrophobicContact CG1-CE2 4.42Å; Y1021-E1025 HydrophobicContact CD1-CB 3.54Å; Y1021-E1025 HydrophobicContact CD1-CG 4.18Å; Y1021-E1025 HydrophobicContact CE1-CB 4.36Å; Y1021-E1025 HydrophobicContact CG-CB 3.98Å; Y1021-I1029 HydrophobicContact CD2-CD1 3.58Å; Y1021-I1029 HydrophobicContact CE1-CD1 4.39Å; Y1021-I1029 HydrophobicContact CE2-CD1 3.39Å; Y1021-I1029 HydrophobicContact CG-CD1 4.21Å
1022	N	65.3	Low	63.7	Low	99 Å²	99	61.8 Å²	61.8	53%	0.529	31%	0.305	S	S	.	.			trans	-81.2	172.2	167.6	-70.9	-73.4	0	0	0	112.3	D1020 Y1024 E1025 L1026	D1020-N1022 PolarHBondContact O-N 3.42Å; N1022-Y1024 PolarHBondContact O-N 3.09Å; N1022-E1025 WeakPolarHBondContact CB-OE2 3.43Å; N1022-E1025 PolarHBondContact N-OE2 2.95Å; N1022-E1025 PolarHBondContact ND2-OE2 3.27Å; N1022-E1025 VanDerWaalsContact ND2-OE2 3.13Å; N1022-E1025 PolarHBondContact O-N 2.98Å; N1022-L1026 PolarHBondContact O-N 3.11Å
1023	N	65.2	Low	64.6	Low	18 Å²	18	54.7 Å²	54.7	10%	0.096	27%	0.273	C	S	.	.	H	α-helix	trans	-50.2	-42.6	171.6	-65.3	-32.1	0	0	0	112	E768 Q996 E1025 L1026 Y1027 L1159	E768-N1023 PolarHBondContact OE2-ND2 3.02Å; Q996-N1023 VanDerWaalsContact CG-OD1 3.28Å; Q996-N1023 WeakPolarHBondContact CG-OD1 3.41Å; Q996-N1023 PolarHBondContact NE2-OD1 3.21Å; N1023-E1025 VanDerWaalsContact C-N 3.28Å; N1023-E1025 PolarHBondContact O-N 2.98Å; N1023-L1026 PolarHBondContact O-N 2.84Å; N1023-Y1027 HydrophobicContact CB-CE2 4.25Å; N1023-Y1027 WeakPolarHBondContact O-CD2 3.41Å; N1023-Y1027 PolarHBondContact O-N 3.46Å; N1023-L1159 HydrophobicContact CB-CD1 4.41Å
1024	Y	68.3	Low	65.2	Low	44 Å²	44	50.9 Å²	50.9	17%	0.173	25%	0.25	C	S	.	.	H	α-helix	trans	-63	-28	176.9	-56.3	-49.5	0	0	0	114.6	N1022 Y1027 N1028 L1159 W1163	N1022-Y1024 PolarHBondContact O-N 3.09Å; Y1024-Y1027 HydrophobicContact CD1-CD2 4.38Å; Y1024-N1028 PolarHBondContact O-N 2.66Å; Y1024-N1028 VanDerWaalsContact O-N 3.1Å; Y1024-N1028 PolarHBondContact O-ND2 2.9Å; Y1024-L1159 HydrophobicContact CE1-CD2 3.67Å; Y1024-L1159 WeakPolarHBondContact OH-CD2 3.41Å; Y1024-W1163 HydrophobicContact CD1-CB 3.67Å; Y1024-W1163 AromaticContact CD1-CD1 3.52Å; Y1024-W1163 AromaticContact CD1-CG 3.75Å; Y1024-W1163 HydrophobicContact CD1-CG 3.75Å; Y1024-W1163 HydrophobicContact CE1-CB 3.94Å; Y1024-W1163 HydrophobicContact CE1-CG 4.48Å; Y1024-W1163 AromaticContact CG-CD1 3.85Å; Y1024-W1163 HydrophobicContact CG-CG 4.48Å
1025	E	67.5	Low	66.1	Low	69 Å²	69	50.5 Å²	50.5	32%	0.322	25%	0.246	S	C	.	.	H	α-helix	trans	-88.4	-34.8	-179.7	-68.8	162	111	0	0	110.8	Y1021 N1022 N1023 Y1027 N1028 I1029	Y1021-E1025 HydrophobicContact CD1-CB 3.54Å; Y1021-E1025 HydrophobicContact CD1-CG 4.18Å; Y1021-E1025 HydrophobicContact CE1-CB 4.36Å; Y1021-E1025 HydrophobicContact CG-CB 3.98Å; N1022-E1025 WeakPolarHBondContact CB-OE2 3.43Å; N1022-E1025 PolarHBondContact N-OE2 2.95Å; N1022-E1025 PolarHBondContact ND2-OE2 3.27Å; N1022-E1025 VanDerWaalsContact ND2-OE2 3.13Å; N1022-E1025 PolarHBondContact O-N 2.98Å; N1023-E1025 VanDerWaalsContact C-N 3.28Å; N1023-E1025 PolarHBondContact O-N 2.98Å; E1025-Y1027 VanDerWaalsContact C-N 3.34Å; E1025-N1028 VanDerWaalsContact O-CB 3.31Å; E1025-N1028 WeakPolarHBondContact O-CB 3.43Å; E1025-N1028 PolarHBondContact O-N 3.1Å; E1025-I1029 WeakPolarHBondContact O-CD1 3.22Å; E1025-I1029 VanDerWaalsContact O-CG1 3.28Å; E1025-I1029 WeakPolarHBondContact O-CG1 2.81Å; E1025-I1029 PolarHBondContact O-N 3.4Å
1026	L	69	Low	67.1	Low	5 Å²	5	56.1 Å²	56.1	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-39.4	166.1	-67.9	172.2	0	0	0	111.8	Q996 I999 N1022 N1023 I1029 L1030	Q996-L1026 HydrophobicContact CB-CD1 3.95Å; Q996-L1026 HydrophobicContact CG-CD1 3.85Å; I999-L1026 HydrophobicContact CG2-CB 4.39Å; N1022-L1026 PolarHBondContact O-N 3.11Å; N1023-L1026 PolarHBondContact O-N 2.84Å; L1026-I1029 PolarHBondContact O-N 3.46Å; L1026-L1030 WeakPolarHBondContact O-CB 3.14Å; L1026-L1030 PolarHBondContact O-N 2.93Å
1027	Y	72.6	Confident	67.7	Low	1 Å²	1	55.5 Å²	55.5	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-41.2	170.5	-64	-41	0	0	0	112.3	L995 I999 N1023 Y1024 E1025 I1029 L1030 L1031 Q1157 L1159 F1160	L995-Y1027 HydrophobicContact CD2-CE1 4.43Å; L995-Y1027 WeakPolarHBondContact CD2-OH 3.46Å; I999-Y1027 HydrophobicContact CD1-CD1 4.32Å; I999-Y1027 HydrophobicContact CD1-CE1 4.2Å; N1023-Y1027 HydrophobicContact CB-CE2 4.25Å; N1023-Y1027 WeakPolarHBondContact O-CD2 3.41Å; N1023-Y1027 PolarHBondContact O-N 3.46Å; Y1024-Y1027 HydrophobicContact CD1-CD2 4.38Å; E1025-Y1027 VanDerWaalsContact C-N 3.34Å; Y1027-I1029 VanDerWaalsContact C-N 3.35Å; Y1027-I1029 PolarHBondContact O-N 2.94Å; Y1027-L1030 PolarHBondContact O-N 2.96Å; Y1027-L1031 WeakPolarHBondContact O-CG 3.08Å; Y1027-L1031 PolarHBondContact O-N 3.09Å; Y1027-Q1157 PolarHBondContact OH-OE1 3.42Å; Y1027-L1159 HydrophobicContact CE2-CB 4.18Å; Y1027-F1160 AromaticContact CD1-CD2 3.6Å; Y1027-F1160 HydrophobicContact CD1-CD2 3.6Å; Y1027-F1160 HydrophobicContact CD1-CE2 4Å; Y1027-F1160 AromaticContact CD2-CD2 3.82Å; Y1027-F1160 HydrophobicContact CD2-CD2 3.82Å; Y1027-F1160 HydrophobicContact CE1-CB 4.49Å; Y1027-F1160 AromaticContact CE1-CD2 3.93Å; Y1027-F1160 HydrophobicContact CE1-CD2 3.93Å; Y1027-F1160 HydrophobicContact CE2-CB 4.24Å; Y1027-F1160 HydrophobicContact CE2-CD2 4.16Å; Y1027-F1160 AromaticContact CG-CD2 3.56Å; Y1027-F1160 HydrophobicContact CG-CD2 3.56Å; Y1027-F1160 AromaticContact CG-CE2 3.99Å; Y1027-F1160 HydrophobicContact CG-CE2 3.99Å
1028	N	72.6	Confident	68.4	Low	55 Å²	55	52.7 Å²	52.7	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-57.9	-44.8	172.6	-96.7	-80.6	0	0	0	112.2	Y1024 E1025 L1031 K1032 W1163	Y1024-N1028 PolarHBondContact O-N 2.66Å; Y1024-N1028 VanDerWaalsContact O-N 3.1Å; Y1024-N1028 PolarHBondContact O-ND2 2.9Å; E1025-N1028 VanDerWaalsContact O-CB 3.31Å; E1025-N1028 WeakPolarHBondContact O-CB 3.43Å; E1025-N1028 PolarHBondContact O-N 3.1Å; N1028-L1031 PolarHBondContact O-N 3.33Å; N1028-K1032 WeakPolarHBondContact O-CB 3.46Å; N1028-K1032 VanDerWaalsContact O-CG 3.26Å; N1028-K1032 WeakPolarHBondContact O-CG 3.25Å; N1028-K1032 PolarHBondContact O-N 2.88Å; N1028-W1163 HydrophobicContact CB-CZ2 4.42Å; N1028-W1163 VanDerWaalsContact ND2-CZ2 3.28Å; N1028-W1163 WeakPolarHBondContact ND2-CZ2 3.26Å
1029	I	72	Confident	69.1	Low	31 Å²	31	54 Å²	54	16%	0.159	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-44.1	-179.9	-67.7	160.4	0	0	0	110.3	L1003 Y1021 E1025 L1026 Y1027 L1031 K1032 Y1033	L1003-I1029 HydrophobicContact CD1-CG2 3.83Å; L1003-I1029 HydrophobicContact CD2-CG2 4.21Å; Y1021-I1029 HydrophobicContact CD2-CD1 3.58Å; Y1021-I1029 HydrophobicContact CE1-CD1 4.39Å; Y1021-I1029 HydrophobicContact CE2-CD1 3.39Å; Y1021-I1029 HydrophobicContact CG-CD1 4.21Å; E1025-I1029 WeakPolarHBondContact O-CD1 3.22Å; E1025-I1029 VanDerWaalsContact O-CG1 3.28Å; E1025-I1029 WeakPolarHBondContact O-CG1 2.81Å; E1025-I1029 PolarHBondContact O-N 3.4Å; L1026-I1029 PolarHBondContact O-N 3.46Å; Y1027-I1029 VanDerWaalsContact C-N 3.35Å; Y1027-I1029 PolarHBondContact O-N 2.94Å; I1029-L1031 VanDerWaalsContact C-N 3.33Å; I1029-L1031 PolarHBondContact O-N 2.66Å; I1029-K1032 PolarHBondContact O-N 3.05Å; I1029-Y1033 VanDerWaalsContact O-CB 3.25Å; I1029-Y1033 WeakPolarHBondContact O-CB 3.32Å; I1029-Y1033 PolarHBondContact O-N 3.01Å
1030	L	73.6	Confident	70	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-58.9	-42	173.9	180	68.7	0	0	0	112.1	L1026 Y1027 T1034 F1132 L1136 I1138	L1026-L1030 WeakPolarHBondContact O-CB 3.14Å; L1026-L1030 PolarHBondContact O-N 2.93Å; Y1027-L1030 PolarHBondContact O-N 2.96Å; L1030-T1034 WeakPolarHBondContact O-CG2 3.24Å; L1030-T1034 PolarHBondContact O-N 2.97Å; L1030-T1034 PolarHBondContact O-OG1 3.06Å; L1030-T1034 VanDerWaalsContact O-OG1 3.05Å; L1030-F1132 HydrophobicContact CD1-CD1 4.17Å; L1030-L1136 HydrophobicContact CD1-CD1 3.68Å; L1030-L1136 HydrophobicContact CD2-CD1 3.52Å; L1030-L1136 HydrophobicContact CG-CD1 4.26Å; L1030-I1138 HydrophobicContact CD2-CD1 3.7Å
1031	L	73.8	Confident	70.4	Confident	6 Å²	6	55 Å²	55	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-71.3	-47.3	176.8	-69.1	-152.4	0	0	0	112.1	Y1027 N1028 I1029 Y1033 T1034 E1035 V1043 I1047 F1160 W1163 Y1168	Y1027-L1031 WeakPolarHBondContact O-CG 3.08Å; Y1027-L1031 PolarHBondContact O-N 3.09Å; N1028-L1031 PolarHBondContact O-N 3.33Å; I1029-L1031 VanDerWaalsContact C-N 3.33Å; I1029-L1031 PolarHBondContact O-N 2.66Å; L1031-Y1033 PolarHBondContact O-N 3.34Å; L1031-T1034 WeakPolarHBondContact CA-OG1 3.43Å; L1031-T1034 PolarHBondContact O-N 2.76Å; L1031-T1034 VanDerWaalsContact O-N 3.09Å; L1031-T1034 PolarHBondContact O-OG1 3.05Å; L1031-T1034 VanDerWaalsContact O-OG1 3.11Å; L1031-E1035 VanDerWaalsContact O-CB 3.27Å; L1031-E1035 WeakPolarHBondContact O-CB 3.13Å; L1031-E1035 VanDerWaalsContact O-CG 3.23Å; L1031-E1035 WeakPolarHBondContact O-CG 3.37Å; L1031-E1035 PolarHBondContact O-N 2.69Å; L1031-V1043 HydrophobicContact CD2-CG1 4.44Å; L1031-I1047 HydrophobicContact CD1-CD1 3.54Å; L1031-I1047 HydrophobicContact CD2-CD1 3.47Å; L1031-I1047 VanDerWaalsContact CD2-CD1 3.47Å; L1031-I1047 HydrophobicContact CG-CD1 4.19Å; L1031-F1160 HydrophobicContact CD1-CZ 4.36Å; L1031-F1160 HydrophobicContact CD2-CZ 4.14Å; L1031-F1160 HydrophobicContact CG-CZ 4.47Å; L1031-W1163 HydrophobicContact CD1-CH2 3.79Å; L1031-W1163 HydrophobicContact CD1-CZ3 3.59Å; L1031-W1163 HydrophobicContact CG-CH2 4.23Å; L1031-W1163 HydrophobicContact CG-CZ3 4.14Å; L1031-Y1168 HydrophobicContact CD1-CD1 4.22Å; L1031-Y1168 HydrophobicContact CD1-CD2 4.15Å; L1031-Y1168 HydrophobicContact CD1-CE1 3.74Å; L1031-Y1168 HydrophobicContact CD1-CE2 3.69Å; L1031-Y1168 HydrophobicContact CD1-CG 4.4Å; L1031-Y1168 VanDerWaalsContact CD1-CZ 3.45Å
1032	K	73.3	Confident	70.7	Confident	134 Å²	134	56.8 Å²	56.8	58%	0.583	27%	0.267	S	S	*	.	H	α-helix	trans	-54.3	-38.8	173.1	-72.4	169	-176.7	176.8	0	112.1	N1028 I1029 K1036	N1028-K1032 WeakPolarHBondContact O-CB 3.46Å; N1028-K1032 VanDerWaalsContact O-CG 3.26Å; N1028-K1032 WeakPolarHBondContact O-CG 3.25Å; N1028-K1032 PolarHBondContact O-N 2.88Å; I1029-K1032 PolarHBondContact O-N 3.05Å; K1032-K1036 WeakPolarHBondContact O-CB 3.48Å; K1032-K1036 PolarHBondContact O-N 3.39Å; K1032-K1036 VanDerWaalsContact O-N 3.09Å
1033	Y	72.5	Confident	70.9	Confident	13 Å²	13	52.1 Å²	52.1	5%	0.051	24%	0.242	C	C	.	.	H	α-helix	trans	-66.9	-48.6	174.9	172.6	-83	0	0	0	112.3	L1003 Y1006 E1007 I1029 L1031 E1035 K1036 F1037 F1132	L1003-Y1033 HydrophobicContact CD2-CD2 4.37Å; L1003-Y1033 HydrophobicContact CD2-CG 4.15Å; Y1006-Y1033 WeakPolarHBondContact CB-OH 2.98Å; Y1006-Y1033 WeakPolarHBondContact CD1-OH 3.26Å; Y1006-Y1033 HydrophobicContact CD2-CE1 4.41Å; Y1006-Y1033 AromaticContact CG-CZ 3.88Å; E1007-Y1033 HydrophobicContact CG-CD2 4.33Å; E1007-Y1033 HydrophobicContact CG-CE2 4.05Å; I1029-Y1033 VanDerWaalsContact O-CB 3.25Å; I1029-Y1033 WeakPolarHBondContact O-CB 3.32Å; I1029-Y1033 PolarHBondContact O-N 3.01Å; L1031-Y1033 PolarHBondContact O-N 3.34Å; Y1033-E1035 VanDerWaalsContact C-N 3.35Å; Y1033-E1035 PolarHBondContact O-N 2.81Å; Y1033-K1036 WeakPolarHBondContact O-CB 3.49Å; Y1033-K1036 PolarHBondContact O-N 3.35Å; Y1033-K1036 VanDerWaalsContact O-N 3.15Å; Y1033-F1037 HydrophobicContact CD2-CD2 4.29Å; Y1033-F1037 HydrophobicContact CD2-CE2 4.23Å; Y1033-F1037 AromaticContact CE1-CD2 3.93Å; Y1033-F1037 HydrophobicContact CE1-CD2 3.93Å; Y1033-F1037 HydrophobicContact CE1-CE2 4.35Å; Y1033-F1037 HydrophobicContact CE1-CG 4.25Å; Y1033-F1037 AromaticContact CE2-CD2 3.63Å; Y1033-F1037 HydrophobicContact CE2-CD2 3.63Å; Y1033-F1037 AromaticContact CE2-CE2 3.32Å; Y1033-F1037 HydrophobicContact CE2-CE2 3.32Å; Y1033-F1037 HydrophobicContact CE2-CZ 4.08Å; Y1033-F1037 AromaticContact CZ-CD2 3.39Å; Y1033-F1037 AromaticContact CZ-CE2 3.38Å; Y1033-F1037 AromaticContact CZ-CG 3.95Å; Y1033-F1037 AromaticContact CZ-CZ 3.91Å; Y1033-F1037 PolarHBondContact O-N 3.23Å; Y1033-F1037 VanDerWaalsContact O-N 3.13Å; Y1033-F1037 WeakPolarHBondContact OH-CD2 3.33Å; Y1033-F1037 WeakPolarHBondContact OH-CE1 3.44Å; Y1033-F1037 WeakPolarHBondContact OH-CE2 3.42Å; Y1033-F1037 WeakPolarHBondContact OH-CZ 3.14Å; Y1033-F1132 AromaticContact CD1-CE1 3.92Å; Y1033-F1132 HydrophobicContact CD1-CE1 3.92Å; Y1033-F1132 HydrophobicContact CD1-CZ 4.37Å; Y1033-F1132 AromaticContact CE1-CE1 3.45Å; Y1033-F1132 HydrophobicContact CE1-CE1 3.45Å; Y1033-F1132 VanDerWaalsContact CE1-CE1 3.45Å; Y1033-F1132 AromaticContact CE1-CZ 3.51Å; Y1033-F1132 HydrophobicContact CE1-CZ 3.51Å
1034	T	72.6	Confident	71	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-68.3	-35.1	178.9	50.9	0	0	0	0	112	L1030 L1031 K1036 F1037 Y1038 V1043 F1128 F1132	L1030-T1034 WeakPolarHBondContact O-CG2 3.24Å; L1030-T1034 PolarHBondContact O-N 2.97Å; L1030-T1034 PolarHBondContact O-OG1 3.06Å; L1030-T1034 VanDerWaalsContact O-OG1 3.05Å; L1031-T1034 WeakPolarHBondContact CA-OG1 3.43Å; L1031-T1034 PolarHBondContact O-N 2.76Å; L1031-T1034 VanDerWaalsContact O-N 3.09Å; L1031-T1034 PolarHBondContact O-OG1 3.05Å; L1031-T1034 VanDerWaalsContact O-OG1 3.11Å; T1034-K1036 VanDerWaalsContact C-N 3.26Å; T1034-K1036 PolarHBondContact O-N 3.41Å; T1034-F1037 PolarHBondContact O-N 3.47Å; T1034-Y1038 PolarHBondContact O-N 3.41Å; T1034-V1043 WeakPolarHBondContact O-CG2 3.1Å; T1034-F1128 HydrophobicContact CG2-CE2 4.04Å; T1034-F1132 HydrophobicContact CG2-CB 4.23Å; T1034-F1132 HydrophobicContact CG2-CD1 3.6Å; T1034-F1132 HydrophobicContact CG2-CD2 4.12Å; T1034-F1132 HydrophobicContact CG2-CE1 4.09Å; T1034-F1132 HydrophobicContact CG2-CG 3.65Å
1035	E	75.6	Confident	71	Confident	31 Å²	31	53.3 Å²	53.3	15%	0.145	25%	0.249	C	C	.	.	I	π-helix	trans	-61	-32.5	171.2	-73.5	-174	158.2	0	0	112.2	L1031 Y1033 G1039 I1040 V1043 Q1044 Y1168	L1031-E1035 VanDerWaalsContact O-CB 3.27Å; L1031-E1035 WeakPolarHBondContact O-CB 3.13Å; L1031-E1035 VanDerWaalsContact O-CG 3.23Å; L1031-E1035 WeakPolarHBondContact O-CG 3.37Å; L1031-E1035 PolarHBondContact O-N 2.69Å; Y1033-E1035 VanDerWaalsContact C-N 3.35Å; Y1033-E1035 PolarHBondContact O-N 2.81Å; E1035-G1039 CarbonylContact O-C 3.54Å; E1035-G1039 VanDerWaalsContact O-C 3.25Å; E1035-G1039 WeakPolarHBondContact O-CA 3.23Å; E1035-G1039 PolarHBondContact O-N 2.78Å; E1035-I1040 HydrophobicContact CB-CB 4.47Å; E1035-I1040 HydrophobicContact CB-CG1 3.88Å; E1035-I1040 HydrophobicContact CG-CG1 4.34Å; E1035-I1040 PolarHBondContact O-N 3.05Å; E1035-I1040 VanDerWaalsContact O-N 3.08Å; E1035-V1043 HydrophobicContact CG-CB 3.98Å; E1035-V1043 HydrophobicContact CG-CG1 3.94Å; E1035-Q1044 WeakPolarHBondContact OE1-CG 3.03Å; E1035-Q1044 PolarHBondContact OE1-NE2 2.77Å; E1035-Y1168 PolarHBondContact OE1-OH 2.8Å
1036	K	75.1	Confident	71.1	Confident	135 Å²	135	50.1 Å²	50.1	59%	0.587	23%	0.234	S	C	*	.	I	π-helix	trans	-71.7	-36.9	173.3	179.4	-177.2	178.8	-178.1	0	112.9	E1007 K1032 Y1033 T1034	E1007-K1036 IonicContact OE1-NZ 2.78Å; E1007-K1036 PolarHBondContact OE1-NZ 3.33Å; K1032-K1036 WeakPolarHBondContact O-CB 3.48Å; K1032-K1036 PolarHBondContact O-N 3.39Å; K1032-K1036 VanDerWaalsContact O-N 3.09Å; Y1033-K1036 WeakPolarHBondContact O-CB 3.49Å; Y1033-K1036 PolarHBondContact O-N 3.35Å; Y1033-K1036 VanDerWaalsContact O-N 3.15Å; T1034-K1036 VanDerWaalsContact C-N 3.26Å; T1034-K1036 PolarHBondContact O-N 3.41Å
1037	F	72	Confident	71.2	Confident	110 Å²	110	50 Å²	50	48%	0.482	23%	0.233	S	C	.	.	I	π-helix	trans	-86.6	-42.8	-177.8	-90.9	-106.6	0	0	0	114.3	Y1033 T1034	Y1033-F1037 HydrophobicContact CD2-CD2 4.29Å; Y1033-F1037 HydrophobicContact CD2-CE2 4.23Å; Y1033-F1037 AromaticContact CE1-CD2 3.93Å; Y1033-F1037 HydrophobicContact CE1-CD2 3.93Å; Y1033-F1037 HydrophobicContact CE1-CE2 4.35Å; Y1033-F1037 HydrophobicContact CE1-CG 4.25Å; Y1033-F1037 AromaticContact CE2-CD2 3.63Å; Y1033-F1037 HydrophobicContact CE2-CD2 3.63Å; Y1033-F1037 AromaticContact CE2-CE2 3.32Å; Y1033-F1037 HydrophobicContact CE2-CE2 3.32Å; Y1033-F1037 HydrophobicContact CE2-CZ 4.08Å; Y1033-F1037 AromaticContact CZ-CD2 3.39Å; Y1033-F1037 AromaticContact CZ-CE2 3.38Å; Y1033-F1037 AromaticContact CZ-CG 3.95Å; Y1033-F1037 AromaticContact CZ-CZ 3.91Å; Y1033-F1037 PolarHBondContact O-N 3.23Å; Y1033-F1037 VanDerWaalsContact O-N 3.13Å; Y1033-F1037 WeakPolarHBondContact OH-CD2 3.33Å; Y1033-F1037 WeakPolarHBondContact OH-CE1 3.44Å; Y1033-F1037 WeakPolarHBondContact OH-CE2 3.42Å; Y1033-F1037 WeakPolarHBondContact OH-CZ 3.14Å; T1034-F1037 PolarHBondContact O-N 3.47Å
1038	Y	71.6	Confident	70.8	Confident	25 Å²	25	50.7 Å²	50.7	10%	0.098	24%	0.238	C	C	.	.	I	π-helix	trans	-102.2	-12.1	-176.2	-69.9	-87.5	0	0	0	113.3	T1034 R1042 W1124 R1127 F1128 E1131 F1132	T1034-Y1038 PolarHBondContact O-N 3.41Å; Y1038-R1042 VanDerWaalsContact O-CD 3.28Å; Y1038-R1042 WeakPolarHBondContact O-CD 3.35Å; Y1038-W1124 HydrophobicContact CD1-CB 4.28Å; Y1038-W1124 HydrophobicContact CD1-CD2 4.43Å; Y1038-W1124 AromaticContact CD1-CE3 3.67Å; Y1038-W1124 HydrophobicContact CD1-CE3 3.67Å; Y1038-W1124 HydrophobicContact CD1-CZ3 4.49Å; Y1038-W1124 HydrophobicContact CE1-CB 4.21Å; Y1038-W1124 HydrophobicContact CE1-CE3 4.31Å; Y1038-W1124 WeakPolarHBondContact CE1-O 3.47Å; Y1038-R1127 HydrophobicContact CE1-CB 4.4Å; Y1038-R1127 VanDerWaalsContact OH-CB 3.31Å; Y1038-R1127 WeakPolarHBondContact OH-CB 3.37Å; Y1038-F1128 HydrophobicContact CD1-CB 4.18Å; Y1038-F1128 AromaticContact CD2-CD2 3.94Å; Y1038-F1128 HydrophobicContact CD2-CD2 3.94Å; Y1038-F1128 HydrophobicContact CE1-CB 3.94Å; Y1038-F1128 HydrophobicContact CE2-CD2 4.18Å; Y1038-F1128 HydrophobicContact CG-CD2 4.21Å; Y1038-E1131 PolarHBondContact OH-OE2 3.45Å; Y1038-F1132 AromaticContact CE2-CD2 3.96Å; Y1038-F1132 HydrophobicContact CE2-CD2 3.96Å; Y1038-F1132 AromaticContact CE2-CE2 3.67Å; Y1038-F1132 HydrophobicContact CE2-CE2 3.67Å
1039	G	69.9	Low	70.4	Confident	32 Å²	32	48.2 Å²	48.2	33%	0.33	23%	0.225	S	C	.	.	I	π-helix	trans	91.2	126.3	-178.6	0	0	0	0	0	112.4	E1035 K1041 R1042 V1043	E1035-G1039 CarbonylContact O-C 3.54Å; E1035-G1039 VanDerWaalsContact O-C 3.25Å; E1035-G1039 WeakPolarHBondContact O-CA 3.23Å; E1035-G1039 PolarHBondContact O-N 2.78Å; G1039-K1041 VanDerWaalsContact C-N 3.28Å; G1039-K1041 PolarHBondContact O-N 3.44Å; G1039-K1041 VanDerWaalsContact O-N 3.07Å; G1039-R1042 WeakPolarHBondContact O-CB 3.05Å; G1039-R1042 PolarHBondContact O-N 3.49Å; G1039-V1043 PolarHBondContact O-N 3.07Å
1040	I	69.7	Low	70.1	Confident	95 Å²	95	46.8 Å²	46.8	49%	0.487	22%	0.218	S	C	.	.	H	α-helix	trans	-34.7	-56.2	178.9	-61.7	165.2	0	0	0	112.8	E1035 R1042 V1043 Q1044	E1035-I1040 HydrophobicContact CB-CB 4.47Å; E1035-I1040 HydrophobicContact CB-CG1 3.88Å; E1035-I1040 HydrophobicContact CG-CG1 4.34Å; E1035-I1040 PolarHBondContact O-N 3.05Å; E1035-I1040 VanDerWaalsContact O-N 3.08Å; I1040-R1042 VanDerWaalsContact C-N 3.26Å; I1040-R1042 PolarHBondContact O-N 2.97Å; I1040-V1043 PolarHBondContact O-N 2.83Å; I1040-Q1044 VanDerWaalsContact CG2-CD 3.49Å; I1040-Q1044 HydrophobicContact CG2-CG 4.31Å; I1040-Q1044 VanDerWaalsContact CG2-NE2 3.26Å; I1040-Q1044 WeakPolarHBondContact O-CB 3.47Å; I1040-Q1044 WeakPolarHBondContact O-CG 3.26Å; I1040-Q1044 PolarHBondContact O-N 2.66Å
1041	K	64	Low	69.8	Low	185 Å²	185	47.2 Å²	47.2	80%	0.804	22%	0.219	S	C	*	.	H	α-helix	trans	-61.3	-26.7	-177.2	-69.3	-171.6	175.9	-173.5	0	114.7	G1039 F1045	G1039-K1041 VanDerWaalsContact C-N 3.28Å; G1039-K1041 PolarHBondContact O-N 3.44Å; G1039-K1041 VanDerWaalsContact O-N 3.07Å; K1041-F1045 WeakPolarHBondContact O-CB 3.2Å; K1041-F1045 PolarHBondContact O-N 3.31Å
1042	R	68.2	Low	69.2	Low	97 Å²	97	47.7 Å²	47.7	37%	0.366	22%	0.222	S	C	.	.	H	α-helix	trans	-84.2	-40.6	179.8	-62.6	-161.1	-178.8	151.5	-7.4	112.1	Y1038 G1039 I1040 F1045 I1046 F1066 W1124	Y1038-R1042 VanDerWaalsContact O-CD 3.28Å; Y1038-R1042 WeakPolarHBondContact O-CD 3.35Å; G1039-R1042 WeakPolarHBondContact O-CB 3.05Å; G1039-R1042 PolarHBondContact O-N 3.49Å; I1040-R1042 VanDerWaalsContact C-N 3.26Å; I1040-R1042 PolarHBondContact O-N 2.97Å; R1042-F1045 WeakPolarHBondContact O-CB 3.46Å; R1042-F1045 PolarHBondContact O-N 3.17Å; R1042-I1046 PolarHBondContact O-N 2.73Å; R1042-F1066 HydrophobicContact CG-CE2 4.14Å; R1042-F1066 HydrophobicContact CG-CZ 4.49Å; R1042-W1124 HydrophobicContact CB-CH2 3.69Å; R1042-W1124 HydrophobicContact CB-CZ2 4.19Å; R1042-W1124 HydrophobicContact CB-CZ3 3.99Å; R1042-W1124 HydrophobicContact CG-CH2 4.25Å; R1042-W1124 HydrophobicContact CG-CZ2 4.25Å
1043	V	69.6	Low	68.8	Low	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-70.1	-51.5	179	173.8	0	0	0	0	110.6	L1031 T1034 E1035 G1039 I1040 F1045 I1046 I1047 F1128	L1031-V1043 HydrophobicContact CD2-CG1 4.44Å; T1034-V1043 WeakPolarHBondContact O-CG2 3.1Å; E1035-V1043 HydrophobicContact CG-CB 3.98Å; E1035-V1043 HydrophobicContact CG-CG1 3.94Å; G1039-V1043 PolarHBondContact O-N 3.07Å; I1040-V1043 PolarHBondContact O-N 2.83Å; V1043-F1045 PolarHBondContact O-N 3.47Å; V1043-I1046 PolarHBondContact O-N 2.84Å; V1043-I1047 HydrophobicContact CG1-CD1 3.63Å; V1043-I1047 HydrophobicContact CG1-CG1 4.45Å; V1043-I1047 WeakPolarHBondContact O-CB 3.19Å; V1043-I1047 WeakPolarHBondContact O-CG1 3.45Å; V1043-I1047 PolarHBondContact O-N 3.01Å; V1043-F1128 HydrophobicContact CG1-CE2 4.47Å; V1043-F1128 HydrophobicContact CG1-CZ 4.15Å; V1043-F1128 HydrophobicContact CG2-CE2 4.01Å; V1043-F1128 HydrophobicContact CG2-CZ 4.19Å
1044	Q	68.4	Low	68.3	Low	75 Å²	75	44.4 Å²	44.4	35%	0.35	21%	0.206	S	C	.	.	H	α-helix	trans	-56.3	-35.5	174	-72.7	178.2	1.6	0	0	112	E1035 I1040 S1048 Y1168	E1035-Q1044 WeakPolarHBondContact OE1-CG 3.03Å; E1035-Q1044 PolarHBondContact OE1-NE2 2.77Å; I1040-Q1044 VanDerWaalsContact CG2-CD 3.49Å; I1040-Q1044 HydrophobicContact CG2-CG 4.31Å; I1040-Q1044 VanDerWaalsContact CG2-NE2 3.26Å; I1040-Q1044 WeakPolarHBondContact O-CB 3.47Å; I1040-Q1044 WeakPolarHBondContact O-CG 3.26Å; I1040-Q1044 PolarHBondContact O-N 2.66Å; Q1044-S1048 VanDerWaalsContact O-CB 3.26Å; Q1044-S1048 WeakPolarHBondContact O-CB 3.14Å; Q1044-S1048 PolarHBondContact O-N 2.88Å; Q1044-S1048 PolarHBondContact O-OG 3.15Å; Q1044-Y1168 HydrophobicContact CG-CE1 4.1Å; Q1044-Y1168 WeakPolarHBondContact CG-OH 3.33Å
1045	F	67.9	Low	67.6	Low	13 Å²	13	45.1 Å²	45.1	6%	0.057	21%	0.209	C	C	.	.	H	α-helix	trans	-63.3	-60.9	174.5	174.8	-92.5	0	0	0	112.2	K1041 R1042 V1043 I1047 S1048 N1049 L1065 F1066 K1069 Y1178	K1041-F1045 WeakPolarHBondContact O-CB 3.2Å; K1041-F1045 PolarHBondContact O-N 3.31Å; R1042-F1045 WeakPolarHBondContact O-CB 3.46Å; R1042-F1045 PolarHBondContact O-N 3.17Å; V1043-F1045 PolarHBondContact O-N 3.47Å; F1045-I1047 VanDerWaalsContact C-N 3.27Å; F1045-I1047 PolarHBondContact O-N 3.19Å; F1045-S1048 PolarHBondContact O-N 2.79Å; F1045-N1049 WeakPolarHBondContact CE1-ND2 3.3Å; F1045-N1049 VanDerWaalsContact CE2-ND2 3.35Å; F1045-N1049 WeakPolarHBondContact CE2-ND2 3.28Å; F1045-N1049 WeakPolarHBondContact CZ-ND2 3.5Å; F1045-N1049 PolarHBondContact O-N 3.11Å; F1045-N1049 PolarHBondContact O-ND2 3.2Å; F1045-L1065 HydrophobicContact CZ-CB 3.83Å; F1045-L1065 WeakPolarHBondContact CZ-O 3.42Å; F1045-F1066 HydrophobicContact CD1-CB 4.45Å; F1045-F1066 AromaticContact CD1-CD2 3.77Å; F1045-F1066 HydrophobicContact CD1-CD2 3.77Å; F1045-F1066 HydrophobicContact CE1-CB 3.68Å; F1045-F1066 AromaticContact CE1-CD2 3.87Å; F1045-F1066 HydrophobicContact CE1-CD2 3.87Å; F1045-F1066 HydrophobicContact CE1-CG 4.29Å; F1045-F1066 HydrophobicContact CG-CD2 4.45Å; F1045-F1066 HydrophobicContact CZ-CB 4.03Å; F1045-K1069 HydrophobicContact CD2-CB 4.11Å; F1045-K1069 HydrophobicContact CD2-CD 3.73Å; F1045-K1069 HydrophobicContact CD2-CG 4.44Å; F1045-K1069 HydrophobicContact CE2-CB 3.72Å; F1045-K1069 HydrophobicContact CE2-CD 3.99Å; F1045-K1069 HydrophobicContact CE2-CG 4.43Å; F1045-Y1178 HydrophobicContact CD2-CE2 4.1Å; F1045-Y1178 AromaticContact CE2-CE2 3.86Å; F1045-Y1178 HydrophobicContact CE2-CE2 3.86Å; F1045-Y1178 AromaticContact CE2-CZ 3.86Å; F1045-Y1178 WeakPolarHBondContact CE2-OH 3.4Å; F1045-Y1178 VanDerWaalsContact CZ-OH 3.25Å; F1045-Y1178 WeakPolarHBondContact CZ-OH 3.45Å
1046	I	69.1	Low	67.1	Low	1 Å²	1	43.7 Å²	43.7	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-37.8	-177.2	-69.2	-175.7	0	0	0	111.4	R1042 V1043 N1049 L1050 L1062 W1124 L1125 F1128 F1129	R1042-I1046 PolarHBondContact O-N 2.73Å; V1043-I1046 PolarHBondContact O-N 2.84Å; I1046-N1049 WeakPolarHBondContact O-CB 3.15Å; I1046-N1049 PolarHBondContact O-N 3.39Å; I1046-L1050 HydrophobicContact CG2-CD1 3.62Å; I1046-L1050 HydrophobicContact CG2-CG 4.38Å; I1046-L1050 WeakPolarHBondContact O-CG 3.24Å; I1046-L1050 PolarHBondContact O-N 2.83Å; I1046-L1050 VanDerWaalsContact O-N 3.16Å; I1046-L1062 HydrophobicContact CG2-CD2 4.43Å; I1046-W1124 HydrophobicContact CD1-CH2 3.36Å; I1046-W1124 HydrophobicContact CD1-CZ2 4.4Å; I1046-W1124 HydrophobicContact CD1-CZ3 3.57Å; I1046-W1124 HydrophobicContact CG1-CH2 4.03Å; I1046-L1125 HydrophobicContact CD1-CD1 3.96Å; I1046-L1125 HydrophobicContact CD1-CG 4.22Å; I1046-F1128 HydrophobicContact CB-CE1 3.95Å; I1046-F1128 HydrophobicContact CD1-CD1 3.79Å; I1046-F1128 HydrophobicContact CD1-CE1 4.1Å; I1046-F1128 HydrophobicContact CG2-CD1 4.31Å; I1046-F1128 HydrophobicContact CG2-CE1 3.8Å; I1046-F1129 HydrophobicContact CG2-CE1 4.35Å; I1046-F1129 HydrophobicContact CG2-CZ 4.01Å
1047	I	70.3	Confident	66.7	Low	2 Å²	2	37.5 Å²	37.5	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-69.3	-40.4	-179.6	-65.3	177.5	0	0	0	111.6	L1031 V1043 F1045 N1049 F1051 I1164 Y1168	L1031-I1047 HydrophobicContact CD1-CD1 3.54Å; L1031-I1047 HydrophobicContact CD2-CD1 3.47Å; L1031-I1047 VanDerWaalsContact CD2-CD1 3.47Å; L1031-I1047 HydrophobicContact CG-CD1 4.19Å; V1043-I1047 HydrophobicContact CG1-CD1 3.63Å; V1043-I1047 HydrophobicContact CG1-CG1 4.45Å; V1043-I1047 WeakPolarHBondContact O-CB 3.19Å; V1043-I1047 WeakPolarHBondContact O-CG1 3.45Å; V1043-I1047 PolarHBondContact O-N 3.01Å; F1045-I1047 VanDerWaalsContact C-N 3.27Å; F1045-I1047 PolarHBondContact O-N 3.19Å; I1047-N1049 VanDerWaalsContact C-N 3.31Å; I1047-N1049 PolarHBondContact O-N 2.82Å; I1047-F1051 WeakPolarHBondContact O-CB 3.1Å; I1047-F1051 PolarHBondContact O-N 3.44Å; I1047-F1051 VanDerWaalsContact O-N 3.13Å; I1047-I1164 HydrophobicContact CG2-CD1 3.45Å; I1047-I1164 VanDerWaalsContact CG2-CD1 3.45Å; I1047-I1164 HydrophobicContact CG2-CG1 3.89Å; I1047-I1164 HydrophobicContact CG2-CG2 4.36Å; I1047-Y1168 HydrophobicContact CB-CE1 4.33Å; I1047-Y1168 HydrophobicContact CD1-CE1 4.44Å; I1047-Y1168 HydrophobicContact CG2-CD1 4.14Å; I1047-Y1168 HydrophobicContact CG2-CE1 4Å
1048	S	64.6	Low	66.5	Low	16 Å²	16	32.8 Å²	32.8	11%	0.112	16%	0.156	C	C	.	.	H	α-helix	trans	-63.7	-36.4	173.9	-58	0	0	0	0	112.4	Q1044 F1045 L1052	Q1044-S1048 VanDerWaalsContact O-CB 3.26Å; Q1044-S1048 WeakPolarHBondContact O-CB 3.14Å; Q1044-S1048 PolarHBondContact O-N 2.88Å; Q1044-S1048 PolarHBondContact O-OG 3.15Å; F1045-S1048 PolarHBondContact O-N 2.79Å; S1048-L1052 WeakPolarHBondContact O-CB 3.48Å; S1048-L1052 VanDerWaalsContact O-CG 3.28Å; S1048-L1052 WeakPolarHBondContact O-CG 3.16Å; S1048-L1052 PolarHBondContact O-N 2.93Å
1049	N	64.1	Low	66.1	Low	4 Å²	4	33.6 Å²	33.6	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-60.1	-56.5	176.9	-86.8	-84.8	0	0	0	111.8	F1045 I1046 I1047 F1051 L1052 S1053 L1057 L1062 L1065 Y1178	F1045-N1049 WeakPolarHBondContact CE1-ND2 3.3Å; F1045-N1049 VanDerWaalsContact CE2-ND2 3.35Å; F1045-N1049 WeakPolarHBondContact CE2-ND2 3.28Å; F1045-N1049 WeakPolarHBondContact CZ-ND2 3.5Å; F1045-N1049 PolarHBondContact O-N 3.11Å; F1045-N1049 PolarHBondContact O-ND2 3.2Å; I1046-N1049 WeakPolarHBondContact O-CB 3.15Å; I1046-N1049 PolarHBondContact O-N 3.39Å; I1047-N1049 VanDerWaalsContact C-N 3.31Å; I1047-N1049 PolarHBondContact O-N 2.82Å; N1049-F1051 VanDerWaalsContact C-N 3.26Å; N1049-F1051 PolarHBondContact O-N 3.07Å; N1049-L1052 PolarHBondContact O-N 3.25Å; N1049-L1052 VanDerWaalsContact O-N 3.17Å; N1049-S1053 PolarHBondContact O-N 2.9Å; N1049-L1057 HydrophobicContact CB-CD1 3.61Å; N1049-L1062 HydrophobicContact CB-CD2 4.07Å; N1049-L1065 VanDerWaalsContact OD1-CD1 3.22Å; N1049-L1065 WeakPolarHBondContact OD1-CD1 3.31Å; N1049-Y1178 PolarHBondContact ND2-OH 2.75Å; N1049-Y1178 VanDerWaalsContact OD1-CE1 3.29Å; N1049-Y1178 WeakPolarHBondContact OD1-CE1 3.27Å; N1049-Y1178 VanDerWaalsContact OD1-CZ 3.23Å; N1049-Y1178 PolarHBondContact OD1-OH 3.26Å
1050	L	66.8	Low	65.5	Low	1 Å²	1	35 Å²	35	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-69.7	-24.6	-174.5	-63.8	162.7	0	0	0	112.8	I1046 S1053 L1057 L1062 F1129 I1139 M1155	I1046-L1050 HydrophobicContact CG2-CD1 3.62Å; I1046-L1050 HydrophobicContact CG2-CG 4.38Å; I1046-L1050 WeakPolarHBondContact O-CG 3.24Å; I1046-L1050 PolarHBondContact O-N 2.83Å; I1046-L1050 VanDerWaalsContact O-N 3.16Å; L1050-S1053 PolarHBondContact O-OG 3.36Å; L1050-L1057 HydrophobicContact CD2-CB 4.29Å; L1050-L1057 HydrophobicContact CD2-CD1 4.3Å; L1050-L1062 HydrophobicContact CD2-CD2 4.33Å; L1050-L1062 HydrophobicContact CG-CD2 4.4Å; L1050-F1129 HydrophobicContact CD1-CE1 4.08Å; L1050-F1129 HydrophobicContact CD1-CZ 4.34Å; L1050-I1139 HydrophobicContact CD1-CD1 3.53Å; L1050-M1155 HydrophobicContact CB-CG 4.01Å; L1050-M1155 HydrophobicContact CB-SD 3.5Å; L1050-M1155 VanDerWaalsContact CB-SD 3.5Å; L1050-M1155 HydrophobicContact CD1-SD 3.98Å; L1050-M1155 HydrophobicContact CG-SD 4.33Å
1051	F	67.7	Low	65.1	Low	14 Å²	14	32 Å²	32	6%	0.061	15%	0.145	C	C	.	.	H	α-helix	trans	-70.5	-39.6	171.2	174.7	-99.4	0	0	0	113	I1047 N1049 R1161 I1164 E1165 I1169	I1047-F1051 WeakPolarHBondContact O-CB 3.1Å; I1047-F1051 PolarHBondContact O-N 3.44Å; I1047-F1051 VanDerWaalsContact O-N 3.13Å; N1049-F1051 VanDerWaalsContact C-N 3.26Å; N1049-F1051 PolarHBondContact O-N 3.07Å; F1051-R1161 HydrophobicContact CD2-CG 3.86Å; F1051-R1161 HydrophobicContact CE2-CG 3.86Å; F1051-R1161 PolarHBondContact O-NH2 3.48Å; F1051-I1164 HydrophobicContact CB-CG2 3.95Å; F1051-I1164 HydrophobicContact CD1-CG2 4.39Å; F1051-I1164 HydrophobicContact CD2-CB 4.23Å; F1051-I1164 HydrophobicContact CD2-CG2 3.69Å; F1051-I1164 HydrophobicContact CE2-CG2 4.39Å; F1051-I1164 HydrophobicContact CG-CG2 3.72Å; F1051-E1165 HydrophobicContact CE2-CB 3.67Å; F1051-E1165 HydrophobicContact CE2-CG 4.16Å; F1051-E1165 HydrophobicContact CZ-CB 3.65Å; F1051-E1165 HydrophobicContact CZ-CG 3.68Å; F1051-I1169 HydrophobicContact CB-CD1 4.32Å; F1051-I1169 HydrophobicContact CD1-CD1 3.63Å; F1051-I1169 HydrophobicContact CE1-CD1 4.26Å; F1051-I1169 HydrophobicContact CG-CD1 4.04Å
1052	L	60.8	Low	65.1	Low	16 Å²	16	23.1 Å²	23.1	8%	0.084	11%	0.107	C	C	.	.	H	α-helix	trans	-83.4	-24.3	-172.9	-72.4	173.5	0	0	0	114.3	S1048 N1049 Y1178 H1234	S1048-L1052 WeakPolarHBondContact O-CB 3.48Å; S1048-L1052 VanDerWaalsContact O-CG 3.28Å; S1048-L1052 WeakPolarHBondContact O-CG 3.16Å; S1048-L1052 PolarHBondContact O-N 2.93Å; N1049-L1052 PolarHBondContact O-N 3.25Å; N1049-L1052 VanDerWaalsContact O-N 3.17Å; L1052-Y1178 VanDerWaalsContact CD1-CB 3.44Å; L1052-Y1178 HydrophobicContact CD1-CD1 3.59Å; L1052-Y1178 HydrophobicContact CD1-CG 3.58Å; L1052-H1234 PolarHBondContact O-CE1 3.35Å; L1052-H1234 VanDerWaalsContact O-CE1 3.32Å
1053	S	64.5	Low	64.9	Low	1 Å²	1	19.2 Å²	19.2	1%	0.007	9%	0.093	C	C	.	.			trans	-65.5	135.7	170.5	56.4	0	0	0	0	111.3	N1049 L1050 E1230	N1049-S1053 PolarHBondContact O-N 2.9Å; L1050-S1053 PolarHBondContact O-OG 3.36Å; S1053-E1230 WeakPolarHBondContact CA-OE1 3.44Å
1054	R	61.6	Low	64.3	Low	77 Å²	77	22.4 Å²	22.4	29%	0.291	11%	0.11	S	C	.	.	S	Bend	trans	-75.9	-43.2	172.3	-178.8	178.3	174	179.5	-3.5	110.3	E873 E1230	E873-R1054 IonicContact OE1-CZ 2.66Å; E873-R1054 IonicContact OE1-NE 3.05Å; E873-R1054 PolarHBondContact OE1-NE 3.48Å; E873-R1054 IonicContact OE1-NH2 3.01Å; E873-R1054 IonicContact OE2-CZ 2.65Å; E873-R1054 IonicContact OE2-NE 2.66Å; E873-R1054 IonicContact OE2-NH2 3.28Å; E873-R1054 PolarHBondContact OE2-NH2 3.41Å; R1054-E1230 HydrophobicContact CB-CG 4.18Å; R1054-E1230 PolarHBondContact N-OE1 2.91Å
1055	L	58.8	Low	63.9	Low	18 Å²	18	19.4 Å²	19.4	9%	0.094	10%	0.096	C	C	.	.	S	Bend	trans	-105.6	-12.9	-168.6	-68.5	151.3	0	0	0	113.5	T809 L1152 W1225 R1226 E1230	T809-L1055 HydrophobicContact CG2-CD2 4.3Å; L1055-L1152 VanDerWaalsContact O-CD1 3.28Å; L1055-L1152 WeakPolarHBondContact O-CD1 3.47Å; L1055-W1225 HydrophobicContact CB-CH2 4.09Å; L1055-W1225 HydrophobicContact CD1-CH2 3.84Å; L1055-W1225 HydrophobicContact CD1-CZ3 3.67Å; L1055-W1225 HydrophobicContact CD2-CH2 4.1Å; L1055-W1225 HydrophobicContact CD2-CZ3 4.29Å; L1055-W1225 HydrophobicContact CG-CH2 4.21Å; L1055-W1225 HydrophobicContact CG-CZ3 4.44Å; L1055-R1226 HydrophobicContact CB-CG 4.11Å; L1055-R1226 HydrophobicContact CD1-CG 3.81Å; L1055-E1230 PolarHBondContact N-OE1 3.32Å
1056	G	64.9	Low	63.6	Low	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.			trans	104.4	168.6	-176.4	0	0	0	0	0	113.3	Y1153 R1226	G1056-Y1153 VanDerWaalsContact CA-O 3.24Å; G1056-Y1153 WeakPolarHBondContact CA-O 3.19Å; G1056-R1226 WeakPolarHBondContact O-CD 3.45Å; G1056-R1226 PolarHBondContact O-NH1 3.42Å; G1056-R1226 VanDerWaalsContact O-NH1 3.09Å
1057	L	67.4	Low	63	Low	5 Å²	5	23.5 Å²	23.5	3%	0.026	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-119.5	144.7	-174.1	-62.1	177.4	0	0	0	112.2	N1049 L1050 D1061 L1062 L1065 Y1153	N1049-L1057 HydrophobicContact CB-CD1 3.61Å; L1050-L1057 HydrophobicContact CD2-CB 4.29Å; L1050-L1057 HydrophobicContact CD2-CD1 4.3Å; L1057-D1061 HydrophobicContact CB-CB 4.07Å; L1057-D1061 HydrophobicContact CD2-CB 4.04Å; L1057-L1062 HydrophobicContact CB-CD1 4.4Å; L1057-L1062 HydrophobicContact CB-CD2 4.39Å; L1057-L1062 HydrophobicContact CB-CG 4.06Å; L1057-L1062 HydrophobicContact CD1-CD2 3.79Å; L1057-L1062 HydrophobicContact CD1-CG 4.27Å; L1057-L1065 HydrophobicContact CD1-CD1 4.35Å; L1057-L1065 HydrophobicContact CD2-CD1 4.47Å; L1057-Y1153 PolarHBondContact N-O 3.08Å; L1057-Y1153 VanDerWaalsContact N-O 3.11Å; L1057-Y1153 WeakPolarHBondContact O-CD2 3.24Å; L1057-Y1153 PolarHBondContact O-N 3.33Å
1058	T	66.2	Low	62.1	Low	12 Å²	12	26.7 Å²	26.7	7%	0.074	13%	0.129	C	C	.	.			trans	-80.8	170.3	170.2	64.9	0	0	0	0	111.5	E1060 D1061 L1062 Y1150 L1152	T1058-E1060 VanDerWaalsContact C-N 3.31Å; T1058-E1060 PolarHBondContact OG1-N 3.05Å; T1058-D1061 WeakPolarHBondContact CB-OD2 3.38Å; T1058-D1061 PolarHBondContact N-OD2 3.49Å; T1058-D1061 PolarHBondContact O-N 3.49Å; T1058-D1061 VanDerWaalsContact OG1-CG 3.23Å; T1058-D1061 PolarHBondContact OG1-N 3.47Å; T1058-D1061 PolarHBondContact OG1-OD2 3.42Å; T1058-L1062 WeakPolarHBondContact O-CD1 3.37Å; T1058-L1062 WeakPolarHBondContact O-CG 3.45Å; T1058-L1062 PolarHBondContact O-N 2.98Å; T1058-Y1150 HydrophobicContact CG2-CD1 4.15Å; T1058-L1152 HydrophobicContact CG2-CD2 3.51Å
1059	N	63	Low	61.1	Low	42 Å²	42	29.5 Å²	29.5	23%	0.225	14%	0.139	C	C	.	.	H	α-helix	trans	-60.7	-38.8	166.8	-77.9	-48.8	0	0	0	112.4	L1062 I1063 Y1153	N1059-L1062 PolarHBondContact O-N 3.5Å; N1059-I1063 WeakPolarHBondContact O-CB 3.47Å; N1059-I1063 WeakPolarHBondContact O-CD1 3.33Å; N1059-I1063 WeakPolarHBondContact O-CG1 3.17Å; N1059-I1063 PolarHBondContact O-N 2.83Å; N1059-Y1153 PolarHBondContact ND2-OH 2.75Å; N1059-Y1153 WeakPolarHBondContact OD1-CE2 3.43Å
1060	E	58.7	Low	60	Low	60 Å²	60	32.8 Å²	32.8	28%	0.28	16%	0.156	S	C	.	.	H	α-helix	trans	-61.6	-43.7	176.2	-73.2	-174.9	154	0	0	111.7	T1058 I1063 N1064 L1102	T1058-E1060 VanDerWaalsContact C-N 3.31Å; T1058-E1060 PolarHBondContact OG1-N 3.05Å; E1060-I1063 PolarHBondContact O-N 3.28Å; E1060-N1064 VanDerWaalsContact O-CB 3.26Å; E1060-N1064 WeakPolarHBondContact O-CB 3.49Å; E1060-N1064 VanDerWaalsContact O-CG 3.26Å; E1060-N1064 PolarHBondContact O-N 3.44Å; E1060-N1064 PolarHBondContact O-ND2 2.84Å; E1060-L1102 HydrophobicContact CG-CB 4.2Å; E1060-L1102 HydrophobicContact CG-CD1 3.91Å; E1060-L1102 HydrophobicContact CG-CG 4.31Å; E1060-L1102 WeakPolarHBondContact OE1-CB 3.39Å; E1060-L1102 PolarHBondContact OE1-N 2.75Å
1061	D	61.4	Low	58.3	Low	32 Å²	32	37.9 Å²	37.9	17%	0.171	19%	0.189	C	C	.	.	H	α-helix	trans	-57.4	-53.1	175.6	-69.6	-67.6	0	0	0	111.2	L1057 T1058 I1063 N1064 L1065 R1226	L1057-D1061 HydrophobicContact CB-CB 4.07Å; L1057-D1061 HydrophobicContact CD2-CB 4.04Å; T1058-D1061 WeakPolarHBondContact CB-OD2 3.38Å; T1058-D1061 PolarHBondContact N-OD2 3.49Å; T1058-D1061 PolarHBondContact O-N 3.49Å; T1058-D1061 VanDerWaalsContact OG1-CG 3.23Å; T1058-D1061 PolarHBondContact OG1-N 3.47Å; T1058-D1061 PolarHBondContact OG1-OD2 3.42Å; D1061-I1063 VanDerWaalsContact C-N 3.3Å; D1061-I1063 PolarHBondContact O-N 3.01Å; D1061-N1064 PolarHBondContact O-N 3.35Å; D1061-L1065 HydrophobicContact CB-CD1 4.15Å; D1061-L1065 VanDerWaalsContact O-CB 3.23Å; D1061-L1065 WeakPolarHBondContact O-CB 3.48Å; D1061-L1065 VanDerWaalsContact O-CD1 3.29Å; D1061-L1065 WeakPolarHBondContact O-CD1 3.46Å; D1061-L1065 WeakPolarHBondContact O-CG 3.48Å; D1061-L1065 PolarHBondContact O-N 3.43Å; D1061-R1226 VanDerWaalsContact CG-NH2 3.26Å; D1061-R1226 IonicContact OD1-CZ 2.77Å; D1061-R1226 IonicContact OD1-NH1 3.69Å; D1061-R1226 IonicContact OD1-NH2 2.74Å; D1061-R1226 PolarHBondContact OD1-NH2 3.46Å; D1061-R1226 IonicContact OD2-CZ 2.77Å; D1061-R1226 IonicContact OD2-NH1 3.37Å; D1061-R1226 PolarHBondContact OD2-NH1 3.47Å; D1061-R1226 IonicContact OD2-NH2 3.71Å; D1061-R1226 PolarHBondContact OD2-NH2 2.95Å
1062	L	64.3	Low	56.5	Low	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-36.6	-175	-70.9	159.5	0	0	0	112.2	I1046 N1049 L1050 L1057 T1058 N1059 F1066 L1125 F1129 Y1153	I1046-L1062 HydrophobicContact CG2-CD2 4.43Å; N1049-L1062 HydrophobicContact CB-CD2 4.07Å; L1050-L1062 HydrophobicContact CD2-CD2 4.33Å; L1050-L1062 HydrophobicContact CG-CD2 4.4Å; L1057-L1062 HydrophobicContact CB-CD1 4.4Å; L1057-L1062 HydrophobicContact CB-CD2 4.39Å; L1057-L1062 HydrophobicContact CB-CG 4.06Å; L1057-L1062 HydrophobicContact CD1-CD2 3.79Å; L1057-L1062 HydrophobicContact CD1-CG 4.27Å; T1058-L1062 WeakPolarHBondContact O-CD1 3.37Å; T1058-L1062 WeakPolarHBondContact O-CG 3.45Å; T1058-L1062 PolarHBondContact O-N 2.98Å; N1059-L1062 PolarHBondContact O-N 3.5Å; L1062-F1066 VanDerWaalsContact O-CB 3.3Å; L1062-F1066 WeakPolarHBondContact O-CB 3.49Å; L1062-F1066 PolarHBondContact O-N 3.26Å; L1062-F1066 VanDerWaalsContact O-N 3.11Å; L1062-L1125 HydrophobicContact CB-CD1 3.95Å; L1062-F1129 HydrophobicContact CD1-CE2 3.8Å; L1062-F1129 HydrophobicContact CD1-CZ 3.59Å; L1062-Y1153 HydrophobicContact CD1-CD2 4.04Å
1063	I	63.9	Low	54.8	Low	15 Å²	15	50.6 Å²	50.6	8%	0.077	26%	0.255	C	S	.	.	H	α-helix	trans	-67	-53.3	173.4	-67.7	163.6	0	0	0	110.1	N1059 E1060 D1061 L1065 F1066 W1067 L1102 Y1122	N1059-I1063 WeakPolarHBondContact O-CB 3.47Å; N1059-I1063 WeakPolarHBondContact O-CD1 3.33Å; N1059-I1063 WeakPolarHBondContact O-CG1 3.17Å; N1059-I1063 PolarHBondContact O-N 2.83Å; E1060-I1063 PolarHBondContact O-N 3.28Å; D1061-I1063 VanDerWaalsContact C-N 3.3Å; D1061-I1063 PolarHBondContact O-N 3.01Å; I1063-L1065 VanDerWaalsContact C-N 3.34Å; I1063-L1065 PolarHBondContact O-N 3.49Å; I1063-F1066 PolarHBondContact O-N 3.29Å; I1063-F1066 VanDerWaalsContact O-N 3.15Å; I1063-W1067 PolarHBondContact O-N 3.16Å; I1063-L1102 HydrophobicContact CD1-CD1 3.88Å; I1063-Y1122 HydrophobicContact CD1-CD2 4.13Å
1064	N	56.8	Low	53	Low	67 Å²	67	57.2 Å²	57.2	36%	0.358	29%	0.285	S	S	.	.	H	α-helix	trans	-60.3	-42.6	-178.2	-77.3	-44.4	0	0	0	112.3	E1060 D1061 W1067 L1068	E1060-N1064 VanDerWaalsContact O-CB 3.26Å; E1060-N1064 WeakPolarHBondContact O-CB 3.49Å; E1060-N1064 VanDerWaalsContact O-CG 3.26Å; E1060-N1064 PolarHBondContact O-N 3.44Å; E1060-N1064 PolarHBondContact O-ND2 2.84Å; D1061-N1064 PolarHBondContact O-N 3.35Å; N1064-W1067 PolarHBondContact O-N 2.85Å; N1064-L1068 WeakPolarHBondContact O-CG 3.5Å; N1064-L1068 PolarHBondContact O-N 3.41Å
1065	L	60	Low	51.3	Low	12 Å²	12	60 Å²	60	6%	0.063	32%	0.315	C	S	.	.	H	α-helix	trans	-65.4	-38.7	176.9	-68.9	160.8	0	0	0	111	F1045 N1049 L1057 D1061 I1063 L1068 K1069 I1181 V1185	F1045-L1065 HydrophobicContact CZ-CB 3.83Å; F1045-L1065 WeakPolarHBondContact CZ-O 3.42Å; N1049-L1065 VanDerWaalsContact OD1-CD1 3.22Å; N1049-L1065 WeakPolarHBondContact OD1-CD1 3.31Å; L1057-L1065 HydrophobicContact CD1-CD1 4.35Å; L1057-L1065 HydrophobicContact CD2-CD1 4.47Å; D1061-L1065 HydrophobicContact CB-CD1 4.15Å; D1061-L1065 VanDerWaalsContact O-CB 3.23Å; D1061-L1065 WeakPolarHBondContact O-CB 3.48Å; D1061-L1065 VanDerWaalsContact O-CD1 3.29Å; D1061-L1065 WeakPolarHBondContact O-CD1 3.46Å; D1061-L1065 WeakPolarHBondContact O-CG 3.48Å; D1061-L1065 PolarHBondContact O-N 3.43Å; I1063-L1065 VanDerWaalsContact C-N 3.34Å; I1063-L1065 PolarHBondContact O-N 3.49Å; L1065-L1068 PolarHBondContact O-N 3.09Å; L1065-K1069 PolarHBondContact O-N 2.95Å; L1065-K1069 VanDerWaalsContact O-N 3.11Å; L1065-I1181 HydrophobicContact CD2-CG2 3.86Å; L1065-V1185 HydrophobicContact CD2-CG2 3.7Å
1066	F	61.2	Low	49.7	Very low	21 Å²	21	64.2 Å²	64.2	9%	0.092	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-42.5	177.4	-177.4	-99.9	0	0	0	111.4	R1042 F1045 L1062 I1063 L1068 K1069 L1070 T1121 W1124	R1042-F1066 HydrophobicContact CG-CE2 4.14Å; R1042-F1066 HydrophobicContact CG-CZ 4.49Å; F1045-F1066 HydrophobicContact CD1-CB 4.45Å; F1045-F1066 AromaticContact CD1-CD2 3.77Å; F1045-F1066 HydrophobicContact CD1-CD2 3.77Å; F1045-F1066 HydrophobicContact CE1-CB 3.68Å; F1045-F1066 AromaticContact CE1-CD2 3.87Å; F1045-F1066 HydrophobicContact CE1-CD2 3.87Å; F1045-F1066 HydrophobicContact CE1-CG 4.29Å; F1045-F1066 HydrophobicContact CG-CD2 4.45Å; F1045-F1066 HydrophobicContact CZ-CB 4.03Å; L1062-F1066 VanDerWaalsContact O-CB 3.3Å; L1062-F1066 WeakPolarHBondContact O-CB 3.49Å; L1062-F1066 PolarHBondContact O-N 3.26Å; L1062-F1066 VanDerWaalsContact O-N 3.11Å; I1063-F1066 PolarHBondContact O-N 3.29Å; I1063-F1066 VanDerWaalsContact O-N 3.15Å; F1066-L1068 VanDerWaalsContact C-N 3.33Å; F1066-L1068 PolarHBondContact O-N 3.26Å; F1066-K1069 PolarHBondContact O-N 3.24Å; F1066-L1070 HydrophobicContact CD1-CD1 4.14Å; F1066-L1070 HydrophobicContact CE1-CD1 3.82Å; F1066-L1070 HydrophobicContact CE1-CG 4.46Å; F1066-L1070 PolarHBondContact O-N 3.39Å; F1066-T1121 HydrophobicContact CD1-CG2 3.49Å; F1066-T1121 VanDerWaalsContact CD1-CG2 3.49Å; F1066-T1121 HydrophobicContact CE1-CG2 3.74Å; F1066-T1121 HydrophobicContact CG-CG2 4.24Å; F1066-W1124 AromaticContact CD2-CZ2 3.97Å; F1066-W1124 HydrophobicContact CD2-CZ2 3.97Å; F1066-W1124 HydrophobicContact CE1-CZ2 4.47Å; F1066-W1124 HydrophobicContact CE2-CH2 4.31Å; F1066-W1124 AromaticContact CE2-CZ2 3.57Å; F1066-W1124 HydrophobicContact CE2-CZ2 3.57Å; F1066-W1124 AromaticContact CZ-CZ2 3.85Å; F1066-W1124 HydrophobicContact CZ-CZ2 3.85Å
1067	W	56.3	Low	47.9	Very low	78 Å²	78	67.9 Å²	67.9	30%	0.295	37%	0.367	S	S	.	.	H	α-helix	trans	-66.5	-31.5	175.4	-74.2	112.9	0	0	0	113.5	I1063 N1064 L1070 R1117 V1118	I1063-W1067 PolarHBondContact O-N 3.16Å; N1064-W1067 PolarHBondContact O-N 2.85Å; W1067-L1070 HydrophobicContact CD2-CD1 4.29Å; W1067-L1070 HydrophobicContact CE3-CD1 3.53Å; W1067-L1070 HydrophobicContact CH2-CD1 4.28Å; W1067-L1070 HydrophobicContact CZ3-CD1 3.53Å; W1067-R1117 HydrophobicContact CH2-CB 3.73Å; W1067-R1117 HydrophobicContact CZ2-CB 4.21Å; W1067-V1118 HydrophobicContact CZ2-CG2 3.84Å
1068	L	51.8	Low	45.9	Very low	70 Å²	70	71.1 Å²	71.1	37%	0.366	39%	0.39	S	S	.	.	H	α-helix	trans	-78.4	-20.2	176.3	-75.8	165.2	0	0	0	114.5	N1064 L1065 F1066 I1181 V1185	N1064-L1068 WeakPolarHBondContact O-CG 3.5Å; N1064-L1068 PolarHBondContact O-N 3.41Å; L1065-L1068 PolarHBondContact O-N 3.09Å; F1066-L1068 VanDerWaalsContact C-N 3.33Å; F1066-L1068 PolarHBondContact O-N 3.26Å; L1068-I1181 HydrophobicContact CB-CG2 4.42Å; L1068-V1185 HydrophobicContact CD1-CB 4.32Å; L1068-V1185 HydrophobicContact CD1-CG2 3.41Å; L1068-V1185 VanDerWaalsContact CD1-CG2 3.41Å
1069	K	43.8	Very low	44.1	Very low	75 Å²	75	74.5 Å²	74.5	33%	0.326	41%	0.411	S	S	.	.	H	α-helix	trans	-94.7	-10.5	173.2	-157.5	169.4	-166.3	170.7	0	114	F1045 L1065 F1066 E1177 Y1178 I1181	F1045-K1069 HydrophobicContact CD2-CB 4.11Å; F1045-K1069 HydrophobicContact CD2-CD 3.73Å; F1045-K1069 HydrophobicContact CD2-CG 4.44Å; F1045-K1069 HydrophobicContact CE2-CB 3.72Å; F1045-K1069 HydrophobicContact CE2-CD 3.99Å; F1045-K1069 HydrophobicContact CE2-CG 4.43Å; L1065-K1069 PolarHBondContact O-N 2.95Å; L1065-K1069 VanDerWaalsContact O-N 3.11Å; F1066-K1069 PolarHBondContact O-N 3.24Å; K1069-E1177 WeakPolarHBondContact CE-OE2 3.23Å; K1069-E1177 IonicContact NZ-OE2 3.17Å; K1069-E1177 PolarHBondContact NZ-OE2 2.74Å; K1069-Y1178 HydrophobicContact CD-CE2 4.2Å; K1069-I1181 HydrophobicContact CB-CD1 4.02Å; K1069-I1181 HydrophobicContact CD-CD1 3.57Å; K1069-I1181 HydrophobicContact CG-CD1 3.69Å
1070	L	39.7	Very low	42.3	Very low	73 Å²	73	74.3 Å²	74.3	38%	0.382	41%	0.413	S	S	.	.	S	Bend	trans	-66.9	130.7	162.3	-79.9	166.5	0	0	0	109.1	F1066 W1067 M1072	F1066-L1070 HydrophobicContact CD1-CD1 4.14Å; F1066-L1070 HydrophobicContact CE1-CD1 3.82Å; F1066-L1070 HydrophobicContact CE1-CG 4.46Å; F1066-L1070 PolarHBondContact O-N 3.39Å; W1067-L1070 HydrophobicContact CD2-CD1 4.29Å; W1067-L1070 HydrophobicContact CE3-CD1 3.53Å; W1067-L1070 HydrophobicContact CH2-CD1 4.28Å; W1067-L1070 HydrophobicContact CZ3-CD1 3.53Å; L1070-M1072 PolarHBondContact O-N 3.17Å
1071	P	31.7	Very low	40.7	Very low	108 Å²	108	74.7 Å²	74.7	70%	0.701	42%	0.422	S	S	*	.			trans	-65.5	107.7	173.9	27	-32.6	0	0	0	108.7	N1073	P1071-N1073 PolarHBondContact O-N 3.06Å
1072	M	29.8	Very low	39.1	Very low	163 Å²	163	75.9 Å²	75.9	80%	0.803	43%	0.431	S	S	*	.			trans	-61.5	105.6	164.2	-72.4	-78	-82.1	0	0	107.1	L1070 H1074	L1070-M1072 PolarHBondContact O-N 3.17Å; M1072-H1074 PolarHBondContact O-N 3.27Å
1073	N	25.3	Very low	37.3	Very low	134 Å²	134	81.3 Å²	81.3	72%	0.717	46%	0.464	S	S	*	.			trans	-47.6	137.6	-178.5	-86.3	5.8	0	0	0	110.6	P1071 C1075	P1071-N1073 PolarHBondContact O-N 3.06Å; N1073-C1075 PolarHBondContact O-N 2.72Å
1074	H	26.9	Very low	35.5	Very low	140 Å²	140	85 Å²	85	65%	0.648	49%	0.488	S	S	*	.			trans	-56.9	99.1	-157.1	-66.3	-82.1	0	0	0	115.7	M1072 T1076	M1072-H1074 PolarHBondContact O-N 3.27Å; H1074-T1076 PolarHBondContact ND1-OG1 3.35Å; H1074-T1076 PolarHBondContact O-N 3.37Å; H1074-T1076 VanDerWaalsContact O-N 3.16Å
1075	C	25.3	Very low	34	Very low	134 Å²	134	85.8 Å²	85.8	91%	0.905	50%	0.498	S	S	*	.			trans	-79.5	43.4	143.4	-74.7	0	0	0	0	110.8	N1073	N1073-C1075 PolarHBondContact O-N 2.72Å
1076	T	25.2	Very low	32.3	Very low	108 Å²	108	90.3 Å²	90.3	66%	0.663	52%	0.519	S	S	*	.			trans	-134.2	46.5	173.4	65.4	0	0	0	0	110.7	H1074	H1074-T1076 PolarHBondContact ND1-OG1 3.35Å; H1074-T1076 PolarHBondContact O-N 3.37Å; H1074-T1076 VanDerWaalsContact O-N 3.16Å
1077	S	26.7	Very low	30.7	Very low	76 Å²	76	95.6 Å²	95.6	53%	0.531	54%	0.543	S	S	.	.			trans	-111.3	130.5	149.5	54.9	0	0	0	0	108.4
1078	S	26.1	Very low	29.4	Very low	73 Å²	73	97.1 Å²	97.1	51%	0.51	56%	0.557	S	S	.	*			cis	-170.9	145.5	-15.7	39.5	0	0	0	0	107.1
1079	T	27.4	Very low	28.3	Very low	83 Å²	83	100.8 Å²	100.8	51%	0.509	58%	0.576	S	S	.	*			trans	59.3	142	159.9	55.7	0	0	0	0	117.6	T2137	T1079-T2137 HydrophobicContact CG2-CG2 4.41Å
1080	S	26.6	Very low	27.7	Very low	38 Å²	38	105.1 Å²	105.1	27%	0.266	60%	0.595	S	S	.	*			cis	174.3	143.4	-3.5	44.4	0	0	0	0	109.3	N2171	S1080-N2171 WeakPolarHBondContact OG-CA 3.45Å; S1080-N2171 VanDerWaalsContact OG-CB 3.24Å; S1080-N2171 WeakPolarHBondContact OG-CB 3.38Å; S1080-N2171 PolarHBondContact OG-OD1 3.21Å
1081	S	24.7	Very low	27.3	Very low	68 Å²	68	108.5 Å²	108.5	48%	0.476	61%	0.609	S	S	.	*			trans	60.5	153	155.6	61.1	0	0	0	0	120.9	N2171 N2190	S1081-N2171 PolarHBondContact OG-ND2 2.73Å; S1081-N2190 PolarHBondContact OG-ND2 2.91Å
1082	T	28.2	Very low	27.2	Very low	58 Å²	58	109.6 Å²	109.6	36%	0.356	61%	0.609	S	S	.	*			trans	61	92	153.9	48.4	0	0	0	0	120.7	N2190	T1082-N2190 WeakPolarHBondContact CB-OD1 3.34Å; T1082-N2190 VanDerWaalsContact CG2-ND2 3.28Å; T1082-N2190 WeakPolarHBondContact CG2-ND2 3.47Å; T1082-N2190 VanDerWaalsContact CG2-OD1 3.32Å; T1082-N2190 WeakPolarHBondContact CG2-OD1 3.13Å; T1082-N2190 PolarHBondContact OG1-ND2 2.8Å; T1082-N2190 PolarHBondContact OG1-OD1 2.85Å; T1082-N2190 VanDerWaalsContact OG1-OD1 3.09Å
1083	T	26.3	Very low	27.3	Very low	114 Å²	114	109.4 Å²	109.4	70%	0.699	61%	0.61	S	S	*	*				63.3	141.8	116.5	54.1	0	0	0	0	122.3
1084	T	26	Very low	27.5	Very low	93 Å²	93	109.1 Å²	109.1	57%	0.571	61%	0.607	S	S	*	*			trans	73.1	107.8	163.8	52.3	0	0	0	0	119.4
1085	S	24.3	Very low	27.7	Very low	82 Å²	82	108.4 Å²	108.4	57%	0.573	61%	0.606	S	S	*	*	S	Bend	trans	69.9	143.8	147.7	54.2	0	0	0	0	120.6	N2218	S1085-N2218 PolarHBondContact O-ND2 2.88Å
1086	H	25	Very low	28	Very low	108 Å²	108	110.5 Å²	110.5	50%	0.5	60%	0.6	S	S	.	*			trans	65.4	120.1	-179.4	-53.5	-95.5	0	0	0	115.3	N2218 Y2219	H1086-N2218 VanDerWaalsContact O-CG 3.31Å; H1086-N2218 PolarHBondContact O-ND2 3.11Å; H1086-Y2219 HydrophobicContact CB-CE2 4.06Å; H1086-Y2219 AromaticContact CD2-CE2 3.48Å; H1086-Y2219 VanDerWaalsContact CD2-CE2 3.48Å; H1086-Y2219 WeakPolarHBondContact CD2-CE2 3.16Å; H1086-Y2219 PolarHBondContact CE1-OH 2.66Å; H1086-Y2219 AromaticContact CG-CE2 3.74Å; H1086-Y2219 PolarHBondContact ND1-OH 2.75Å
1087	H	28.5	Very low	28.1	Very low	132 Å²	132	111.5 Å²	111.5	61%	0.611	60%	0.597	S	S	*	*			trans	-158.6	49.1	153.8	-125	-15.8	0	0	0	115.1	N2218	H1087-N2218 PolarHBondContact CE1-OD1 3.18Å; H1087-N2218 PolarHBondContact ND1-OD1 3.24Å
1088	L	27.8	Very low	28.3	Very low	110 Å²	110	114.8 Å²	114.8	58%	0.576	60%	0.602	S	S	*	*			trans	-59.9	155.5	163.2	-78	161.4	0	0	0	111.3
1089	N	29.7	Very low	28.5	Very low	146 Å²	146	118 Å²	118	78%	0.781	60%	0.603	S	S	*	*	S	Bend	trans	63.3	44.4	164.6	-64.3	-13.8	0	0	0	118.9
1090	K	29.7	Very low	28.5	Very low	167 Å²	167	121.3 Å²	121.3	73%	0.726	61%	0.611	S	S	*	*			trans	-123.4	-1.5	159	-109.5	-179.8	-176.7	174.6	0	116.7
1091	Q	31.8	Very low	28.7	Very low	144 Å²	144	121.8 Å²	121.8	67%	0.673	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-81.9	-22.2	-173.8	-70.9	176.1	-17.9	0	0	114.7	I1093 I1094	Q1091-I1093 PolarHBondContact O-N 2.77Å; Q1091-I1094 PolarHBondContact O-N 2.9Å
1092	N	30.3	Very low	29	Very low	131 Å²	131	122.4 Å²	122.4	70%	0.701	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-70.1	0.1	-168.9	-72.9	-6.2	0	0	0	117
1093	I	30.9	Very low	29.1	Very low	159 Å²	159	126.3 Å²	126.3	82%	0.815	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-103.1	-18.4	179.3	-66.8	177.5	0	0	0	112.7	Q1091	Q1091-I1093 PolarHBondContact O-N 2.77Å
1094	I	30.5	Very low	29.3	Very low	128 Å²	128	126.6 Å²	126.6	66%	0.656	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-13.3	-178	-65.4	172.4	0	0	0	112.2	Q1091 K1096	Q1091-I1094 PolarHBondContact O-N 2.9Å; I1094-K1096 PolarHBondContact O-N 3.34Å; I1094-K1096 VanDerWaalsContact O-N 3.08Å
1095	I	30.8	Very low	29.3	Very low	124 Å²	124	127.1 Å²	127.1	64%	0.636	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-5.6	-169.9	-65	175.3	0	0	0	114.4	Q1097	I1095-Q1097 PolarHBondContact O-N 3.3Å
1096	K	30.7	Very low	29.5	Very low	178 Å²	178	129.1 Å²	129.1	77%	0.774	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	25.2	-179.1	-86.2	-165.2	173	-171.3	0	116.2	I1094	I1094-K1096 PolarHBondContact O-N 3.34Å; I1094-K1096 VanDerWaalsContact O-N 3.08Å
1097	Q	28.8	Very low	29.6	Very low	129 Å²	129	130.4 Å²	130.4	60%	0.603	62%	0.623	S	S	*	*			trans	-111	79.7	168.2	-66.3	-169	15.6	0	0	111.4	I1095	I1095-Q1097 PolarHBondContact O-N 3.3Å
1098	K	30.2	Very low	29.4	Very low	145 Å²	145	128.7 Å²	128.7	63%	0.63	62%	0.618	S	S	*	*			trans	-67.3	158.3	163.7	-85.7	-175.6	171.3	-178.9	0	110.4	S1215	K1098-S1215 PolarHBondContact NZ-OG 3.12Å
1099	R	31	Very low	29.3	Very low	141 Å²	141	129.8 Å²	129.8	53%	0.532	62%	0.623	S	S	.	*			trans	-59.2	139.7	-173	-62.7	169.4	175.8	-171.9	-8.8	111.6	S1101 E1220	R1099-S1101 PolarHBondContact O-N 2.95Å; R1099-E1220 VanDerWaalsContact CZ-O 3.27Å; R1099-E1220 PolarHBondContact NH1-O 3.32Å; R1099-E1220 PolarHBondContact NH2-O 3.01Å
1100	F	27.7	Very low	29.3	Very low	153 Å²	153	129.6 Å²	129.6	67%	0.671	62%	0.621	S	S	*	*			trans	-88.8	85.3	168.6	-79.7	-85.6	0	0	0	110
1101	S	29.2	Very low	29.4	Very low	48 Å²	48	125.5 Å²	125.5	34%	0.336	61%	0.606	S	S	.	*			trans	-87.1	131.5	152.2	26.1	0	0	0	0	107.8	R1099 Q1103 D1104	R1099-S1101 PolarHBondContact O-N 2.95Å; S1101-Q1103 PolarHBondContact O-N 3.27Å; S1101-D1104 VanDerWaalsContact CB-OD2 3.32Å; S1101-D1104 WeakPolarHBondContact CB-OD2 3.42Å; S1101-D1104 PolarHBondContact OG-OD2 3.18Å
1102	L	30.5	Very low	29.6	Very low	80 Å²	80	125 Å²	125	42%	0.419	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.5	1.8	-173.8	-107.6	173.1	0	0	0	114.9	E1060 I1063 I1105	E1060-L1102 HydrophobicContact CG-CB 4.2Å; E1060-L1102 HydrophobicContact CG-CD1 3.91Å; E1060-L1102 HydrophobicContact CG-CG 4.31Å; E1060-L1102 WeakPolarHBondContact OE1-CB 3.39Å; E1060-L1102 PolarHBondContact OE1-N 2.75Å; I1063-L1102 HydrophobicContact CD1-CD1 3.88Å; L1102-I1105 HydrophobicContact CD2-CD1 3.87Å
1103	Q	31.5	Very low	30	Very low	140 Å²	140	123.5 Å²	123.5	65%	0.654	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-19.7	-178.5	-58.5	-169	-69.3	0	0	113.7	S1101 I1105	S1101-Q1103 PolarHBondContact O-N 3.27Å; Q1103-I1105 PolarHBondContact O-N 3.18Å
1104	D	29.5	Very low	30.6	Very low	121 Å²	121	122.7 Å²	122.7	65%	0.647	59%	0.591	S	S	*	*			trans	-93.6	23.7	-173.3	-58.5	-74.5	0	0	0	114.4	S1101 H1106	S1101-D1104 VanDerWaalsContact CB-OD2 3.32Å; S1101-D1104 WeakPolarHBondContact CB-OD2 3.42Å; S1101-D1104 PolarHBondContact OG-OD2 3.18Å; D1104-H1106 VanDerWaalsContact C-N 3.27Å; D1104-H1106 PolarHBondContact O-N 3.48Å
1105	I	27.7	Very low	31.3	Very low	104 Å²	104	120.5 Å²	120.5	53%	0.533	58%	0.58	S	S	.	*			trans	-84.6	67.3	-176	-49.1	-174.1	0	0	0	111	L1102 Q1103	L1102-I1105 HydrophobicContact CD2-CD1 3.87Å; Q1103-I1105 PolarHBondContact O-N 3.18Å
1106	H	27.3	Very low	32	Very low	124 Å²	124	119.3 Å²	119.3	57%	0.574	58%	0.575	S	S	*	*			trans	-129.6	120.6	162.9	-105.5	42.3	0	0	0	112.3	E203 D1104	E203-H1106 IonicContact OE1-CD2 2.64Å; E203-H1106 PolarHBondContact OE1-CD2 3.26Å; E203-H1106 VanDerWaalsContact OE1-CD2 3.28Å; D1104-H1106 VanDerWaalsContact C-N 3.27Å; D1104-H1106 PolarHBondContact O-N 3.48Å
1107	Y	26.7	Very low	32.9	Very low	134 Å²	134	115.7 Å²	115.7	53%	0.525	56%	0.556	S	S	.	*			trans	38	103.1	164.1	-66.1	-92.3	0	0	0	119	V211	V211-Y1107 HydrophobicContact CG2-CE1 3.91Å
1108	N	25.7	Very low	34	Very low	97 Å²	97	111.8 Å²	111.8	52%	0.519	54%	0.541	S	S	.	.				-172.4	121.2	105.3	-98.8	-60.4	0	0	0	115
1109	I	25.9	Very low	35	Very low	132 Å²	132	109.5 Å²	109.5	68%	0.677	54%	0.535	S	S	*	.	S	Bend	trans	49.9	86.6	142.8	-49.7	164.3	0	0	0	117.4
1110	L	28.5	Very low	36.4	Very low	143 Å²	143	106.9 Å²	106.9	75%	0.749	53%	0.531	S	S	*	.	S	Bend	trans	165.3	3.9	142.6	-95.6	157.9	0	0	0	116.1
1111	I	33.1	Very low	38	Very low	80 Å²	80	100 Å²	100	41%	0.41	50%	0.501	S	S	.	.			trans	-117.9	10.9	-146.3	-36.9	-174.2	0	0	0	116.4	D1113 K1114 I1115	I1111-D1113 PolarHBondContact O-N 3.28Å; I1111-K1114 HydrophobicContact CG2-CB 3.75Å; I1111-K1114 HydrophobicContact CG2-CD 4.35Å; I1111-K1114 PolarHBondContact O-N 3.41Å; I1111-I1115 HydrophobicContact CB-CD1 4.09Å; I1111-I1115 HydrophobicContact CB-CG1 4.26Å; I1111-I1115 HydrophobicContact CG2-CD1 4.38Å; I1111-I1115 HydrophobicContact CG2-CG1 4.02Å; I1111-I1115 PolarHBondContact O-N 3.29Å
1112	N	34.9	Very low	39.7	Very low	134 Å²	134	101.7 Å²	101.7	72%	0.717	50%	0.501	S	S	*	.	H	α-helix	trans	-55.4	-54.3	-172.2	-69	18.2	0	0	0	114.9	K1114 I1115 D1116	N1112-K1114 PolarHBondContact O-N 2.91Å; N1112-I1115 PolarHBondContact O-N 3.46Å; N1112-D1116 PolarHBondContact O-N 3.04Å; N1112-D1116 VanDerWaalsContact O-N 3.17Å
1113	D	39.8	Very low	41.3	Very low	100 Å²	100	101.3 Å²	101.3	54%	0.535	50%	0.499	S	S	.	.	H	α-helix	trans	-72.2	1.2	-179	-172.4	33.8	0	0	0	113.8	I1111 R1117	I1111-D1113 PolarHBondContact O-N 3.28Å; D1113-R1117 WeakPolarHBondContact O-CD 3.31Å; D1113-R1117 VanDerWaalsContact O-CG 3.31Å; D1113-R1117 WeakPolarHBondContact O-CG 3.28Å; D1113-R1117 PolarHBondContact O-NE 2.94Å; D1113-R1117 IonicContact OD1-CZ 3.54Å; D1113-R1117 IonicContact OD1-NE 3.58Å; D1113-R1117 PolarHBondContact OD1-NE 3.07Å; D1113-R1117 IonicContact OD1-NH2 2.63Å; D1113-R1117 PolarHBondContact OD1-NH2 3.36Å; D1113-R1117 IonicContact OD2-CZ 3.7Å; D1113-R1117 IonicContact OD2-NE 2.72Å; D1113-R1117 IonicContact OD2-NH2 3.38Å; D1113-R1117 PolarHBondContact OD2-NH2 3.18Å
1114	K	42.8	Very low	43.3	Very low	142 Å²	142	95.4 Å²	95.4	62%	0.617	47%	0.471	S	S	*	.	H	α-helix	trans	-103.5	-41.2	168.3	-73.4	-179.7	-179.5	179.4	0	111.7	I1111 N1112 D1116 R1117 V1118	I1111-K1114 HydrophobicContact CG2-CB 3.75Å; I1111-K1114 HydrophobicContact CG2-CD 4.35Å; I1111-K1114 PolarHBondContact O-N 3.41Å; N1112-K1114 PolarHBondContact O-N 2.91Å; K1114-D1116 PolarHBondContact O-N 3.02Å; K1114-R1117 PolarHBondContact O-N 3.05Å; K1114-V1118 WeakPolarHBondContact O-CG2 3.13Å; K1114-V1118 PolarHBondContact O-N 3.42Å
1115	I	44.4	Very low	45.2	Very low	81 Å²	81	89.8 Å²	89.8	42%	0.415	44%	0.441	S	S	.	.	H	α-helix	trans	-58.4	-48.9	176.6	-70.5	168.7	0	0	0	110.1	I1111 N1112 R1117 V1118 L1119	I1111-I1115 HydrophobicContact CB-CD1 4.09Å; I1111-I1115 HydrophobicContact CB-CG1 4.26Å; I1111-I1115 HydrophobicContact CG2-CD1 4.38Å; I1111-I1115 HydrophobicContact CG2-CG1 4.02Å; I1111-I1115 PolarHBondContact O-N 3.29Å; N1112-I1115 PolarHBondContact O-N 3.46Å; I1115-R1117 PolarHBondContact O-N 2.99Å; I1115-V1118 PolarHBondContact O-N 3.02Å; I1115-V1118 VanDerWaalsContact O-N 3.14Å; I1115-L1119 VanDerWaalsContact O-CB 3.31Å; I1115-L1119 WeakPolarHBondContact O-CB 3.32Å; I1115-L1119 PolarHBondContact O-N 2.93Å
1116	D	46.3	Very low	47.2	Very low	99 Å²	99	90.6 Å²	90.6	53%	0.529	44%	0.438	S	S	.	.	H	α-helix	trans	-54.2	-41.1	177.5	-84.2	-0.5	0	0	0	112.3	N1112 K1114 I1120	N1112-D1116 PolarHBondContact O-N 3.04Å; N1112-D1116 VanDerWaalsContact O-N 3.17Å; K1114-D1116 PolarHBondContact O-N 3.02Å; D1116-I1120 VanDerWaalsContact O-CB 3.28Å; D1116-I1120 WeakPolarHBondContact O-CB 3.28Å; D1116-I1120 WeakPolarHBondContact O-CD1 3.48Å; D1116-I1120 WeakPolarHBondContact O-CG1 3.4Å; D1116-I1120 PolarHBondContact O-N 3.16Å
1117	R	48.9	Very low	49.3	Very low	103 Å²	103	91.9 Å²	91.9	39%	0.389	44%	0.438	S	S	.	.	H	α-helix	trans	-76.8	-33.8	-177.7	-52.5	179.3	-170	-154.4	4.6	112.1	W1067 D1113 K1114 I1115 T1121	W1067-R1117 HydrophobicContact CH2-CB 3.73Å; W1067-R1117 HydrophobicContact CZ2-CB 4.21Å; D1113-R1117 WeakPolarHBondContact O-CD 3.31Å; D1113-R1117 VanDerWaalsContact O-CG 3.31Å; D1113-R1117 WeakPolarHBondContact O-CG 3.28Å; D1113-R1117 PolarHBondContact O-NE 2.94Å; D1113-R1117 IonicContact OD1-CZ 3.54Å; D1113-R1117 IonicContact OD1-NE 3.58Å; D1113-R1117 PolarHBondContact OD1-NE 3.07Å; D1113-R1117 IonicContact OD1-NH2 2.63Å; D1113-R1117 PolarHBondContact OD1-NH2 3.36Å; D1113-R1117 IonicContact OD2-CZ 3.7Å; D1113-R1117 IonicContact OD2-NE 2.72Å; D1113-R1117 IonicContact OD2-NH2 3.38Å; D1113-R1117 PolarHBondContact OD2-NH2 3.18Å; K1114-R1117 PolarHBondContact O-N 3.05Å; I1115-R1117 PolarHBondContact O-N 2.99Å; R1117-T1121 VanDerWaalsContact O-CB 3.27Å; R1117-T1121 WeakPolarHBondContact O-CB 3.32Å; R1117-T1121 PolarHBondContact O-N 2.9Å; R1117-T1121 PolarHBondContact O-OG1 3.19Å
1118	V	52.2	Low	51.6	Low	47 Å²	47	85.6 Å²	85.6	29%	0.285	41%	0.413	S	S	.	.	H	α-helix	trans	-68.1	-44.3	171.5	172.8	0	0	0	0	110.3	W1067 K1114 I1115 T1121 Y1122	W1067-V1118 HydrophobicContact CZ2-CG2 3.84Å; K1114-V1118 WeakPolarHBondContact O-CG2 3.13Å; K1114-V1118 PolarHBondContact O-N 3.42Å; I1115-V1118 PolarHBondContact O-N 3.02Å; I1115-V1118 VanDerWaalsContact O-N 3.14Å; V1118-T1121 CarbonylContact O-C 3.5Å; V1118-T1121 WeakPolarHBondContact O-CA 3.13Å; V1118-T1121 WeakPolarHBondContact O-CB 3.39Å; V1118-T1121 PolarHBondContact O-N 3.48Å; V1118-T1121 VanDerWaalsContact O-N 3.1Å; V1118-Y1122 WeakPolarHBondContact O-CB 3.37Å; V1118-Y1122 PolarHBondContact O-N 2.99Å
1119	L	52.1	Low	53.8	Low	96 Å²	96	81.1 Å²	81.1	50%	0.503	39%	0.389	S	S	.	.	H	α-helix	trans	-64.5	-43.4	177.5	-159.1	85.5	0	0	0	111.5	I1115 T1121 Y1122 N1123	I1115-L1119 VanDerWaalsContact O-CB 3.31Å; I1115-L1119 WeakPolarHBondContact O-CB 3.32Å; I1115-L1119 PolarHBondContact O-N 2.93Å; L1119-T1121 VanDerWaalsContact C-N 3.29Å; L1119-T1121 PolarHBondContact O-N 3.1Å; L1119-Y1122 PolarHBondContact O-N 3.09Å; L1119-N1123 WeakPolarHBondContact O-CB 3.15Å; L1119-N1123 PolarHBondContact O-N 3.46Å; L1119-N1123 PolarHBondContact O-ND2 3.35Å
1120	I	60.4	Low	55.8	Low	86 Å²	86	78 Å²	78	44%	0.441	37%	0.374	S	S	.	.	H	α-helix	trans	-60.3	-40.5	170.8	-72.5	165.5	0	0	0	110.8	D1116 N1123 W1124	D1116-I1120 VanDerWaalsContact O-CB 3.28Å; D1116-I1120 WeakPolarHBondContact O-CB 3.28Å; D1116-I1120 WeakPolarHBondContact O-CD1 3.48Å; D1116-I1120 WeakPolarHBondContact O-CG1 3.4Å; D1116-I1120 PolarHBondContact O-N 3.16Å; I1120-N1123 PolarHBondContact O-N 3.43Å; I1120-W1124 PolarHBondContact O-N 3.04Å
1121	T	60.3	Low	57.6	Low	8 Å²	8	73.6 Å²	73.6	5%	0.049	35%	0.349	C	S	.	.	H	α-helix	trans	-65.4	-48.9	179.3	-63.1	0	0	0	0	111.6	F1066 R1117 V1118 L1119 N1123 W1124 L1125	F1066-T1121 HydrophobicContact CD1-CG2 3.49Å; F1066-T1121 VanDerWaalsContact CD1-CG2 3.49Å; F1066-T1121 HydrophobicContact CE1-CG2 3.74Å; F1066-T1121 HydrophobicContact CG-CG2 4.24Å; R1117-T1121 VanDerWaalsContact O-CB 3.27Å; R1117-T1121 WeakPolarHBondContact O-CB 3.32Å; R1117-T1121 PolarHBondContact O-N 2.9Å; R1117-T1121 PolarHBondContact O-OG1 3.19Å; V1118-T1121 CarbonylContact O-C 3.5Å; V1118-T1121 WeakPolarHBondContact O-CA 3.13Å; V1118-T1121 WeakPolarHBondContact O-CB 3.39Å; V1118-T1121 PolarHBondContact O-N 3.48Å; V1118-T1121 VanDerWaalsContact O-N 3.1Å; L1119-T1121 VanDerWaalsContact C-N 3.29Å; L1119-T1121 PolarHBondContact O-N 3.1Å; T1121-N1123 PolarHBondContact O-N 2.76Å; T1121-W1124 PolarHBondContact O-NE1 2.83Å; T1121-L1125 WeakPolarHBondContact O-CB 3.09Å; T1121-L1125 PolarHBondContact O-N 3.31Å
1122	Y	64.5	Low	59.4	Low	85 Å²	85	70 Å²	70	33%	0.333	33%	0.331	S	S	.	.	H	α-helix	trans	-58.1	-46.2	172.7	-177.6	-103.6	0	0	0	111.3	I1063 V1118 L1119 W1124 L1125 Y1126	I1063-Y1122 HydrophobicContact CD1-CD2 4.13Å; V1118-Y1122 WeakPolarHBondContact O-CB 3.37Å; V1118-Y1122 PolarHBondContact O-N 2.99Å; L1119-Y1122 PolarHBondContact O-N 3.09Å; Y1122-W1124 PolarHBondContact O-N 3.03Å; Y1122-L1125 PolarHBondContact O-N 3.3Å; Y1122-Y1126 WeakPolarHBondContact O-CB 3.4Å; Y1122-Y1126 PolarHBondContact O-N 3.23Å
1123	N	64.4	Low	61	Low	71 Å²	71	63.8 Å²	63.8	38%	0.38	30%	0.298	S	S	.	.	H	α-helix	trans	-65.6	-40.4	-178	-74.6	-21.2	0	0	0	113.4	L1119 I1120 T1121 R1127	L1119-N1123 WeakPolarHBondContact O-CB 3.15Å; L1119-N1123 PolarHBondContact O-N 3.46Å; L1119-N1123 PolarHBondContact O-ND2 3.35Å; I1120-N1123 PolarHBondContact O-N 3.43Å; T1121-N1123 PolarHBondContact O-N 2.76Å; N1123-R1127 WeakPolarHBondContact O-CB 3.4Å; N1123-R1127 VanDerWaalsContact O-CG 3.29Å; N1123-R1127 WeakPolarHBondContact O-CG 3.38Å; N1123-R1127 PolarHBondContact O-N 2.93Å
1124	W	73.3	Confident	62.3	Low	17 Å²	17	60.1 Å²	60.1	6%	0.064	28%	0.278	C	S	.	.	H	α-helix	trans	-74.1	-33	175	82.6	-105.7	0	0	0	112	Y1038 R1042 I1046 F1066 I1120 T1121 Y1122 F1128	Y1038-W1124 HydrophobicContact CD1-CB 4.28Å; Y1038-W1124 HydrophobicContact CD1-CD2 4.43Å; Y1038-W1124 AromaticContact CD1-CE3 3.67Å; Y1038-W1124 HydrophobicContact CD1-CE3 3.67Å; Y1038-W1124 HydrophobicContact CD1-CZ3 4.49Å; Y1038-W1124 HydrophobicContact CE1-CB 4.21Å; Y1038-W1124 HydrophobicContact CE1-CE3 4.31Å; Y1038-W1124 WeakPolarHBondContact CE1-O 3.47Å; R1042-W1124 HydrophobicContact CB-CH2 3.69Å; R1042-W1124 HydrophobicContact CB-CZ2 4.19Å; R1042-W1124 HydrophobicContact CB-CZ3 3.99Å; R1042-W1124 HydrophobicContact CG-CH2 4.25Å; R1042-W1124 HydrophobicContact CG-CZ2 4.25Å; I1046-W1124 HydrophobicContact CD1-CH2 3.36Å; I1046-W1124 HydrophobicContact CD1-CZ2 4.4Å; I1046-W1124 HydrophobicContact CD1-CZ3 3.57Å; I1046-W1124 HydrophobicContact CG1-CH2 4.03Å; F1066-W1124 AromaticContact CD2-CZ2 3.97Å; F1066-W1124 HydrophobicContact CD2-CZ2 3.97Å; F1066-W1124 HydrophobicContact CE1-CZ2 4.47Å; F1066-W1124 HydrophobicContact CE2-CH2 4.31Å; F1066-W1124 AromaticContact CE2-CZ2 3.57Å; F1066-W1124 HydrophobicContact CE2-CZ2 3.57Å; F1066-W1124 AromaticContact CZ-CZ2 3.85Å; F1066-W1124 HydrophobicContact CZ-CZ2 3.85Å; I1120-W1124 PolarHBondContact O-N 3.04Å; T1121-W1124 PolarHBondContact O-NE1 2.83Å; Y1122-W1124 PolarHBondContact O-N 3.03Å; W1124-F1128 HydrophobicContact CE3-CB 4.23Å; W1124-F1128 HydrophobicContact CZ3-CB 4.37Å; W1124-F1128 HydrophobicContact CZ3-CD1 4.38Å; W1124-F1128 HydrophobicContact CZ3-CG 4.49Å; W1124-F1128 VanDerWaalsContact O-CB 3.23Å; W1124-F1128 WeakPolarHBondContact O-CB 3.33Å; W1124-F1128 PolarHBondContact O-N 3.14Å
1125	L	70	Confident	63.3	Low	2 Å²	2	54.8 Å²	54.8	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-67.4	-45.3	175.7	174.2	145.1	0	0	0	111.5	I1046 L1062 T1121 Y1122 F1128 F1129	I1046-L1125 HydrophobicContact CD1-CD1 3.96Å; I1046-L1125 HydrophobicContact CD1-CG 4.22Å; L1062-L1125 HydrophobicContact CB-CD1 3.95Å; T1121-L1125 WeakPolarHBondContact O-CB 3.09Å; T1121-L1125 PolarHBondContact O-N 3.31Å; Y1122-L1125 PolarHBondContact O-N 3.3Å; L1125-F1128 PolarHBondContact O-N 2.98Å; L1125-F1129 HydrophobicContact CD1-CE2 4.18Å; L1125-F1129 HydrophobicContact CD2-CD2 3.73Å; L1125-F1129 HydrophobicContact CD2-CE2 3.65Å; L1125-F1129 HydrophobicContact CG-CD2 3.89Å; L1125-F1129 HydrophobicContact CG-CE2 3.62Å; L1125-F1129 WeakPolarHBondContact O-CD2 3.5Å; L1125-F1129 PolarHBondContact O-N 2.97Å
1126	Y	70.4	Confident	64.1	Low	122 Å²	122	51.1 Å²	51.1	48%	0.478	24%	0.24	S	C	.	.	H	α-helix	trans	-61.5	-43.3	174.4	-179.1	-103	0	0	0	111.6	Y1122 N1130	Y1122-Y1126 WeakPolarHBondContact O-CB 3.4Å; Y1122-Y1126 PolarHBondContact O-N 3.23Å; Y1126-N1130 WeakPolarHBondContact CE1-ND2 3.25Å; Y1126-N1130 VanDerWaalsContact CE2-ND2 3.26Å; Y1126-N1130 WeakPolarHBondContact CE2-ND2 3.34Å; Y1126-N1130 WeakPolarHBondContact O-CB 3.04Å; Y1126-N1130 PolarHBondContact O-N 3.14Å; Y1126-N1130 PolarHBondContact O-ND2 3.3Å
1127	R	70	Confident	64.9	Low	151 Å²	151	48.1 Å²	48.1	57%	0.57	22%	0.223	S	C	*	.	H	α-helix	trans	-64.6	-45.3	171.5	-74.4	-176.8	-174.2	-154.4	1.9	112.2	Y1038 N1123 F1129 N1130 E1131	Y1038-R1127 HydrophobicContact CE1-CB 4.4Å; Y1038-R1127 VanDerWaalsContact OH-CB 3.31Å; Y1038-R1127 WeakPolarHBondContact OH-CB 3.37Å; N1123-R1127 WeakPolarHBondContact O-CB 3.4Å; N1123-R1127 VanDerWaalsContact O-CG 3.29Å; N1123-R1127 WeakPolarHBondContact O-CG 3.38Å; N1123-R1127 PolarHBondContact O-N 2.93Å; R1127-F1129 VanDerWaalsContact C-N 3.31Å; R1127-F1129 PolarHBondContact O-N 2.85Å; R1127-N1130 PolarHBondContact O-N 3.17Å; R1127-E1131 HydrophobicContact CB-CG 4.39Å; R1127-E1131 WeakPolarHBondContact CD-OE1 3.47Å; R1127-E1131 WeakPolarHBondContact O-CA 3.5Å; R1127-E1131 WeakPolarHBondContact O-CB 3.45Å; R1127-E1131 VanDerWaalsContact O-CG 3.3Å; R1127-E1131 WeakPolarHBondContact O-CG 3.14Å; R1127-E1131 PolarHBondContact O-N 3.32Å
1128	F	75.4	Confident	65.8	Low	1 Å²	1	43.3 Å²	43.3	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-39.8	177.9	179.3	-119.4	0	0	0	112.3	T1034 Y1038 V1043 I1046 W1124 L1125 F1132 L1133	T1034-F1128 HydrophobicContact CG2-CE2 4.04Å; Y1038-F1128 HydrophobicContact CD1-CB 4.18Å; Y1038-F1128 AromaticContact CD2-CD2 3.94Å; Y1038-F1128 HydrophobicContact CD2-CD2 3.94Å; Y1038-F1128 HydrophobicContact CE1-CB 3.94Å; Y1038-F1128 HydrophobicContact CE2-CD2 4.18Å; Y1038-F1128 HydrophobicContact CG-CD2 4.21Å; V1043-F1128 HydrophobicContact CG1-CE2 4.47Å; V1043-F1128 HydrophobicContact CG1-CZ 4.15Å; V1043-F1128 HydrophobicContact CG2-CE2 4.01Å; V1043-F1128 HydrophobicContact CG2-CZ 4.19Å; I1046-F1128 HydrophobicContact CB-CE1 3.95Å; I1046-F1128 HydrophobicContact CD1-CD1 3.79Å; I1046-F1128 HydrophobicContact CD1-CE1 4.1Å; I1046-F1128 HydrophobicContact CG2-CD1 4.31Å; I1046-F1128 HydrophobicContact CG2-CE1 3.8Å; W1124-F1128 HydrophobicContact CE3-CB 4.23Å; W1124-F1128 HydrophobicContact CZ3-CB 4.37Å; W1124-F1128 HydrophobicContact CZ3-CD1 4.38Å; W1124-F1128 HydrophobicContact CZ3-CG 4.49Å; W1124-F1128 VanDerWaalsContact O-CB 3.23Å; W1124-F1128 WeakPolarHBondContact O-CB 3.33Å; W1124-F1128 PolarHBondContact O-N 3.14Å; L1125-F1128 PolarHBondContact O-N 2.98Å; F1128-F1132 HydrophobicContact CD2-CD2 4.43Å; F1128-F1132 PolarHBondContact O-N 2.86Å; F1128-L1133 HydrophobicContact CD1-CD1 3.78Å; F1128-L1133 HydrophobicContact CE1-CD1 3.34Å; F1128-L1133 HydrophobicContact CE1-CG 4.41Å; F1128-L1133 HydrophobicContact CE2-CD1 4.42Å; F1128-L1133 HydrophobicContact CZ-CD1 3.71Å; F1128-L1133 HydrophobicContact CZ-CG 4.37Å; F1128-L1133 PolarHBondContact O-N 2.79Å
1129	F	71.9	Confident	66.4	Low	4 Å²	4	41.4 Å²	41.4	2%	0.018	19%	0.194	C	C	.	.	I	π-helix	trans	-66.3	-53.5	171.8	-76.2	-56.8	0	0	0	112.4	I1046 L1050 L1062 L1125 R1127 L1133 L1134 I1139	I1046-F1129 HydrophobicContact CG2-CE1 4.35Å; I1046-F1129 HydrophobicContact CG2-CZ 4.01Å; L1050-F1129 HydrophobicContact CD1-CE1 4.08Å; L1050-F1129 HydrophobicContact CD1-CZ 4.34Å; L1062-F1129 HydrophobicContact CD1-CE2 3.8Å; L1062-F1129 HydrophobicContact CD1-CZ 3.59Å; L1125-F1129 HydrophobicContact CD1-CE2 4.18Å; L1125-F1129 HydrophobicContact CD2-CD2 3.73Å; L1125-F1129 HydrophobicContact CD2-CE2 3.65Å; L1125-F1129 HydrophobicContact CG-CD2 3.89Å; L1125-F1129 HydrophobicContact CG-CE2 3.62Å; L1125-F1129 WeakPolarHBondContact O-CD2 3.5Å; L1125-F1129 PolarHBondContact O-N 2.97Å; R1127-F1129 VanDerWaalsContact C-N 3.31Å; R1127-F1129 PolarHBondContact O-N 2.85Å; F1129-L1133 HydrophobicContact CD1-CB 4.12Å; F1129-L1133 HydrophobicContact CD1-CD1 3.81Å; F1129-L1133 HydrophobicContact CE1-CD1 3.85Å; F1129-L1133 PolarHBondContact O-N 3.37Å; F1129-L1133 VanDerWaalsContact O-N 3.1Å; F1129-L1134 HydrophobicContact CB-CD1 4.06Å; F1129-L1134 HydrophobicContact CB-CG 4.44Å; F1129-L1134 WeakPolarHBondContact O-CB 3.49Å; F1129-L1134 PolarHBondContact O-N 3.33Å; F1129-I1139 HydrophobicContact CD1-CD1 3.92Å; F1129-I1139 HydrophobicContact CE1-CD1 3.52Å
1130	N	68.6	Low	67.1	Low	66 Å²	66	37.3 Å²	37.3	35%	0.353	17%	0.172	S	C	.	.	I	π-helix	trans	-71.5	-42.1	-174.6	-73.6	-25.1	0	0	0	113.9	Y1126 R1127 L1134 S1135	Y1126-N1130 WeakPolarHBondContact CE1-ND2 3.25Å; Y1126-N1130 VanDerWaalsContact CE2-ND2 3.26Å; Y1126-N1130 WeakPolarHBondContact CE2-ND2 3.34Å; Y1126-N1130 WeakPolarHBondContact O-CB 3.04Å; Y1126-N1130 PolarHBondContact O-N 3.14Å; Y1126-N1130 PolarHBondContact O-ND2 3.3Å; R1127-N1130 PolarHBondContact O-N 3.17Å; N1130-L1134 WeakPolarHBondContact OD1-CD1 3.36Å; N1130-S1135 WeakPolarHBondContact O-CB 3.49Å
1131	E	66.9	Low	67.4	Low	50 Å²	50	35.2 Å²	35.2	23%	0.234	16%	0.162	C	C	.	.	I	π-helix	trans	-73.9	-29.9	-178.2	-63.9	174.3	-172.4	0	0	112.3	Q1002 Y1038 R1127 S1135	Q1002-E1131 PolarHBondContact NE2-O 3.11Å; Y1038-E1131 PolarHBondContact OH-OE2 3.45Å; R1127-E1131 HydrophobicContact CB-CG 4.39Å; R1127-E1131 WeakPolarHBondContact CD-OE1 3.47Å; R1127-E1131 WeakPolarHBondContact O-CA 3.5Å; R1127-E1131 WeakPolarHBondContact O-CB 3.45Å; R1127-E1131 VanDerWaalsContact O-CG 3.3Å; R1127-E1131 WeakPolarHBondContact O-CG 3.14Å; R1127-E1131 PolarHBondContact O-N 3.32Å; E1131-S1135 PolarHBondContact O-OG 3.29Å
1132	F	70.2	Confident	67.6	Low	4 Å²	4	35 Å²	35	2%	0.018	16%	0.16	C	C	.	.	I	π-helix	trans	-124.3	-58.5	-173.5	-62.4	-80.9	0	0	0	114.9	Q1002 Y1006 L1030 Y1033 T1034 Y1038 F1128 S1135 L1136	Q1002-F1132 HydrophobicContact CG-CE1 4.5Å; Y1006-F1132 HydrophobicContact CD2-CE1 4.3Å; Y1006-F1132 HydrophobicContact CD2-CZ 4.14Å; Y1006-F1132 AromaticContact CE2-CE1 3.87Å; Y1006-F1132 HydrophobicContact CE2-CE1 3.87Å; Y1006-F1132 AromaticContact CE2-CZ 3.54Å; Y1006-F1132 HydrophobicContact CE2-CZ 3.54Å; Y1006-F1132 AromaticContact CZ-CZ 3.83Å; L1030-F1132 HydrophobicContact CD1-CD1 4.17Å; Y1033-F1132 AromaticContact CD1-CE1 3.92Å; Y1033-F1132 HydrophobicContact CD1-CE1 3.92Å; Y1033-F1132 HydrophobicContact CD1-CZ 4.37Å; Y1033-F1132 AromaticContact CE1-CE1 3.45Å; Y1033-F1132 HydrophobicContact CE1-CE1 3.45Å; Y1033-F1132 VanDerWaalsContact CE1-CE1 3.45Å; Y1033-F1132 AromaticContact CE1-CZ 3.51Å; Y1033-F1132 HydrophobicContact CE1-CZ 3.51Å; T1034-F1132 HydrophobicContact CG2-CB 4.23Å; T1034-F1132 HydrophobicContact CG2-CD1 3.6Å; T1034-F1132 HydrophobicContact CG2-CD2 4.12Å; T1034-F1132 HydrophobicContact CG2-CE1 4.09Å; T1034-F1132 HydrophobicContact CG2-CG 3.65Å; Y1038-F1132 AromaticContact CE2-CD2 3.96Å; Y1038-F1132 HydrophobicContact CE2-CD2 3.96Å; Y1038-F1132 AromaticContact CE2-CE2 3.67Å; Y1038-F1132 HydrophobicContact CE2-CE2 3.67Å; F1128-F1132 HydrophobicContact CD2-CD2 4.43Å; F1128-F1132 PolarHBondContact O-N 2.86Å; F1132-S1135 WeakPolarHBondContact CA-OG 3.22Å; F1132-S1135 PolarHBondContact N-OG 2.73Å; F1132-S1135 PolarHBondContact O-OG 2.83Å; F1132-S1135 VanDerWaalsContact O-OG 3.1Å; F1132-L1136 VanDerWaalsContact O-CB 3.26Å; F1132-L1136 WeakPolarHBondContact O-CB 3.49Å; F1132-L1136 WeakPolarHBondContact O-CD1 3.49Å; F1132-L1136 VanDerWaalsContact O-CG 3.25Å; F1132-L1136 WeakPolarHBondContact O-CG 3.48Å; F1132-L1136 PolarHBondContact O-N 3.28Å
1133	L	68.7	Low	67.3	Low	5 Å²	5	34.2 Å²	34.2	3%	0.026	16%	0.156	C	C	.	.	I	π-helix	trans	-82.1	-35.3	-164.6	-66.9	164.6	0	0	0	113.9	F1128 F1129 I1138 I1139	F1128-L1133 HydrophobicContact CD1-CD1 3.78Å; F1128-L1133 HydrophobicContact CE1-CD1 3.34Å; F1128-L1133 HydrophobicContact CE1-CG 4.41Å; F1128-L1133 HydrophobicContact CE2-CD1 4.42Å; F1128-L1133 HydrophobicContact CZ-CD1 3.71Å; F1128-L1133 HydrophobicContact CZ-CG 4.37Å; F1128-L1133 PolarHBondContact O-N 2.79Å; F1129-L1133 HydrophobicContact CD1-CB 4.12Å; F1129-L1133 HydrophobicContact CD1-CD1 3.81Å; F1129-L1133 HydrophobicContact CE1-CD1 3.85Å; F1129-L1133 PolarHBondContact O-N 3.37Å; F1129-L1133 VanDerWaalsContact O-N 3.1Å; L1133-I1138 HydrophobicContact CD2-CB 4.21Å; L1133-I1138 HydrophobicContact CD2-CD1 4.42Å; L1133-I1138 HydrophobicContact CD2-CG2 3.88Å; L1133-I1138 PolarHBondContact O-N 2.91Å; L1133-I1139 HydrophobicContact CB-CB 4.48Å; L1133-I1139 HydrophobicContact CB-CD1 3.73Å; L1133-I1139 HydrophobicContact CB-CG1 4.08Å; L1133-I1139 HydrophobicContact CD1-CD1 3.78Å; L1133-I1139 HydrophobicContact CD2-CD1 4.31Å; L1133-I1139 HydrophobicContact CG-CD1 4.15Å; L1133-I1139 PolarHBondContact O-N 3.07Å
1134	L	66.9	Low	66.8	Low	23 Å²	23	30.9 Å²	30.9	12%	0.12	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-39.1	172.3	-66.6	169.2	0	0	0	111.2	F1129 N1130 L1136 N1137 I1139 I1141	F1129-L1134 HydrophobicContact CB-CD1 4.06Å; F1129-L1134 HydrophobicContact CB-CG 4.44Å; F1129-L1134 WeakPolarHBondContact O-CB 3.49Å; F1129-L1134 PolarHBondContact O-N 3.33Å; N1130-L1134 WeakPolarHBondContact OD1-CD1 3.36Å; L1134-L1136 PolarHBondContact O-N 3.16Å; L1134-N1137 PolarHBondContact O-N 3.11Å; L1134-N1137 VanDerWaalsContact O-N 3.12Å; L1134-N1137 PolarHBondContact O-OD1 3.38Å; L1134-I1139 HydrophobicContact CD2-CG2 4.42Å; L1134-I1141 HydrophobicContact CD2-CD1 4.19Å; L1134-I1141 HydrophobicContact CD2-CG1 4.48Å
1135	S	63.4	Low	65.6	Low	30 Å²	30	30.8 Å²	30.8	21%	0.21	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-34.8	176.9	64.9	0	0	0	0	112.5	K998 N1130 E1131 F1132	K998-S1135 WeakPolarHBondContact CE-O 3.37Å; K998-S1135 PolarHBondContact NZ-O 2.93Å; N1130-S1135 WeakPolarHBondContact O-CB 3.49Å; E1131-S1135 PolarHBondContact O-OG 3.29Å; F1132-S1135 WeakPolarHBondContact CA-OG 3.22Å; F1132-S1135 PolarHBondContact N-OG 2.73Å; F1132-S1135 PolarHBondContact O-OG 2.83Å; F1132-S1135 VanDerWaalsContact O-OG 3.1Å
1136	L	61.4	Low	64.4	Low	3 Å²	3	33.7 Å²	33.7	2%	0.016	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	3.8	178	-61.4	172.7	0	0	0	114.3	K998 I999 Q1002 L1030 F1132 L1134 I1138 Q1157	K998-L1136 HydrophobicContact CB-CD2 4.35Å; K998-L1136 HydrophobicContact CD-CD2 4.46Å; K998-L1136 HydrophobicContact CG-CD2 4.13Å; I999-L1136 HydrophobicContact CG1-CD1 4.28Å; I999-L1136 HydrophobicContact CG1-CD2 4.04Å; Q1002-L1136 HydrophobicContact CB-CD2 4.2Å; L1030-L1136 HydrophobicContact CD1-CD1 3.68Å; L1030-L1136 HydrophobicContact CD2-CD1 3.52Å; L1030-L1136 HydrophobicContact CG-CD1 4.26Å; F1132-L1136 VanDerWaalsContact O-CB 3.26Å; F1132-L1136 WeakPolarHBondContact O-CB 3.49Å; F1132-L1136 WeakPolarHBondContact O-CD1 3.49Å; F1132-L1136 VanDerWaalsContact O-CG 3.25Å; F1132-L1136 WeakPolarHBondContact O-CG 3.48Å; F1132-L1136 PolarHBondContact O-N 3.28Å; L1134-L1136 PolarHBondContact O-N 3.16Å; L1136-I1138 HydrophobicContact CB-CD1 3.8Å; L1136-I1138 HydrophobicContact CB-CG1 3.87Å; L1136-I1138 HydrophobicContact CD1-CD1 3.95Å; L1136-I1138 PolarHBondContact O-N 3.1Å; L1136-I1138 VanDerWaalsContact O-N 3.16Å; L1136-Q1157 PolarHBondContact O-NE2 3.25Å
1137	N	63.2	Low	63.1	Low	36 Å²	36	33.9 Å²	33.9	19%	0.193	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	32.1	-173.3	-70.5	-3.2	0	0	0	113.9	M727 L1134 I1139 N1156 Q1157	M727-N1137 PolarHBondContact SD-ND2 3.09Å; L1134-N1137 PolarHBondContact O-N 3.11Å; L1134-N1137 VanDerWaalsContact O-N 3.12Å; L1134-N1137 PolarHBondContact O-OD1 3.38Å; N1137-I1139 VanDerWaalsContact C-N 3.3Å; N1137-N1156 PolarHBondContact O-ND2 3.13Å; N1137-Q1157 PolarHBondContact O-NE2 3.39Å; N1137-Q1157 VanDerWaalsContact O-NE2 3.07Å
1138	I	67.4	Low	61.9	Low	2 Å²	2	27.2 Å²	27.2	1%	0.01	14%	0.138	C	C	.	.			trans	-73.1	-31.3	174.5	-68.2	170.6	0	0	0	109.8	L1030 L1133 L1136 M1155 N1156 F1160	L1030-I1138 HydrophobicContact CD2-CD1 3.7Å; L1133-I1138 HydrophobicContact CD2-CB 4.21Å; L1133-I1138 HydrophobicContact CD2-CD1 4.42Å; L1133-I1138 HydrophobicContact CD2-CG2 3.88Å; L1133-I1138 PolarHBondContact O-N 2.91Å; L1136-I1138 HydrophobicContact CB-CD1 3.8Å; L1136-I1138 HydrophobicContact CB-CG1 3.87Å; L1136-I1138 HydrophobicContact CD1-CD1 3.95Å; L1136-I1138 PolarHBondContact O-N 3.1Å; L1136-I1138 VanDerWaalsContact O-N 3.16Å; I1138-M1155 HydrophobicContact CG2-CE 3.65Å; I1138-N1156 WeakPolarHBondContact O-CB 3.21Å; I1138-N1156 PolarHBondContact O-N 3.46Å; I1138-F1160 HydrophobicContact CG2-CD1 3.43Å; I1138-F1160 VanDerWaalsContact CG2-CD1 3.43Å; I1138-F1160 HydrophobicContact CG2-CE1 3.54Å; I1138-F1160 HydrophobicContact CG2-CG 4.16Å; I1138-F1160 HydrophobicContact CG2-CZ 4.36Å
1139	I	64.6	Low	60.4	Low	7 Å²	7	30.7 Å²	30.7	4%	0.036	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.2	177.6	-70.3	-177.7	0	0	0	111.1	L1050 F1129 L1133 L1134 N1137 Y1153 N1154 M1155	L1050-I1139 HydrophobicContact CD1-CD1 3.53Å; F1129-I1139 HydrophobicContact CD1-CD1 3.92Å; F1129-I1139 HydrophobicContact CE1-CD1 3.52Å; L1133-I1139 HydrophobicContact CB-CB 4.48Å; L1133-I1139 HydrophobicContact CB-CD1 3.73Å; L1133-I1139 HydrophobicContact CB-CG1 4.08Å; L1133-I1139 HydrophobicContact CD1-CD1 3.78Å; L1133-I1139 HydrophobicContact CD2-CD1 4.31Å; L1133-I1139 HydrophobicContact CG-CD1 4.15Å; L1133-I1139 PolarHBondContact O-N 3.07Å; L1134-I1139 HydrophobicContact CD2-CG2 4.42Å; N1137-I1139 VanDerWaalsContact C-N 3.3Å; I1139-Y1153 HydrophobicContact CG2-CD1 3.8Å; I1139-Y1153 HydrophobicContact CG2-CG 4.3Å; I1139-N1154 WeakPolarHBondContact CA-O 3.32Å; I1139-M1155 HydrophobicContact CD1-SD 4.08Å; I1139-M1155 HydrophobicContact CG1-CE 4.14Å; I1139-M1155 HydrophobicContact CG1-SD 3.78Å
1140	M	67.7	Low	59.4	Low	10 Å²	10	34.6 Å²	34.6	5%	0.049	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.4	170.3	178.2	166.7	59	0	0	108.9	M804 G806 T1142 N1154 N1156	M804-M1140 HydrophobicContact CE-SD 3.36Å; M804-M1140 WeakPolarHBondContact CE-SD 3.42Å; G806-M1140 VanDerWaalsContact O-CE 3.29Å; G806-M1140 WeakPolarHBondContact O-CE 3.35Å; M1140-T1142 HydrophobicContact CE-CG2 3.82Å; M1140-T1142 HydrophobicContact CG-CG2 3.89Å; M1140-T1142 HydrophobicContact SD-CG2 4.28Å; M1140-N1154 PolarHBondContact N-O 3.25Å; M1140-N1154 PolarHBondContact O-N 3.32Å; M1140-N1156 HydrophobicContact CB-CB 3.86Å
1141	I	66.7	Low	59	Low	43 Å²	43	35.4 Å²	35.4	22%	0.221	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.8	166.6	-75.7	164.7	0	0	0	106.7	L1134 I1151 L1152 Y1153	L1134-I1141 HydrophobicContact CD2-CD1 4.19Å; L1134-I1141 HydrophobicContact CD2-CG1 4.48Å; I1141-I1151 HydrophobicContact CB-CG2 4.39Å; I1141-I1151 HydrophobicContact CG1-CG2 4.08Å; I1141-I1151 HydrophobicContact CG2-CB 4.34Å; I1141-I1151 HydrophobicContact CG2-CG1 4.17Å; I1141-I1151 HydrophobicContact CG2-CG2 3.61Å; I1141-L1152 WeakPolarHBondContact CA-O 3.42Å; I1141-Y1153 HydrophobicContact CD1-CE1 4.11Å; I1141-Y1153 HydrophobicContact CG1-CD1 3.95Å; I1141-Y1153 HydrophobicContact CG1-CE1 3.82Å
1142	T	63.4	Low	58.8	Low	2 Å²	2	33 Å²	33	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.1	177.2	71.7	0	0	0	0	110.8	G806 S807 M1140 L1152 N1154	G806-T1142 WeakPolarHBondContact O-CG2 3.35Å; S807-T1142 VanDerWaalsContact O-CA 3.3Å; S807-T1142 WeakPolarHBondContact O-CA 3.41Å; M1140-T1142 HydrophobicContact CE-CG2 3.82Å; M1140-T1142 HydrophobicContact CG-CG2 3.89Å; M1140-T1142 HydrophobicContact SD-CG2 4.28Å; T1142-L1152 PolarHBondContact N-O 3.5Å; T1142-L1152 PolarHBondContact O-N 2.97Å; T1142-N1154 HydrophobicContact CG2-CB 4.28Å
1143	R	59.6	Low	58.7	Low	70 Å²	70	34 Å²	34	26%	0.264	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	143.1	170.8	-63.5	-171.6	-174.3	-174.8	0.7	110.1	S715 E719 S807 T809	S715-R1143 PolarHBondContact OG-NH1 3.29Å; E719-R1143 IonicContact OE2-CZ 2.88Å; E719-R1143 IonicContact OE2-NE 3.86Å; E719-R1143 PolarHBondContact OE2-NE 3.06Å; E719-R1143 IonicContact OE2-NH2 3.54Å; E719-R1143 PolarHBondContact OE2-NH2 3.19Å; S807-R1143 PolarHBondContact O-N 2.88Å; S807-R1143 VanDerWaalsContact O-N 3.15Å; T809-R1143 PolarHBondContact N-O 3.22Å
1144	S	53	Low	58.6	Low	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	155.3	-170.3	64.8	0	0	0	0	114	G1148 Y1150	S1144-G1148 VanDerWaalsContact O-CA 3.28Å; S1144-G1148 WeakPolarHBondContact O-CA 3.26Å; S1144-G1148 PolarHBondContact O-N 3.46Å; S1144-Y1150 PolarHBondContact N-O 3.16Å; S1144-Y1150 VanDerWaalsContact OG-CB 3.29Å; S1144-Y1150 WeakPolarHBondContact OG-CB 3.28Å; S1144-Y1150 PolarHBondContact OG-O 3.01Å
1145	P	48	Very low	58.5	Low	16 Å²	16	34 Å²	34	10%	0.104	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	169.9	-174.3	30.2	-35.4	0	0	0	112.4	W708 T809 W1225	W708-P1145 HydrophobicContact CE3-CB 3.85Å; W708-P1145 HydrophobicContact CH2-CB 4.08Å; W708-P1145 VanDerWaalsContact CH2-CD 3.47Å; W708-P1145 HydrophobicContact CH2-CG 4.29Å; W708-P1145 HydrophobicContact CZ3-CB 3.56Å; W708-P1145 HydrophobicContact CZ3-CG 3.87Å; T809-P1145 WeakPolarHBondContact OG1-CD 3.34Å; P1145-W1225 HydrophobicContact CG-CD2 4.08Å; P1145-W1225 HydrophobicContact CG-CE3 3.97Å; P1145-W1225 HydrophobicContact CG-CH2 4.25Å; P1145-W1225 HydrophobicContact CG-CZ2 4.37Å; P1145-W1225 HydrophobicContact CG-CZ3 4.04Å; P1145-W1225 PolarHBondContact O-NE1 2.9Å
1146	P	44.4	Very low	58.5	Low	63 Å²	63	34.7 Å²	34.7	41%	0.409	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	cis	-84.4	-9.2	-8.7	33.5	-33.7	0	0	0	113.4
1147	Y	44	Very low	58.7	Low	125 Å²	125	35.1 Å²	35.1	49%	0.49	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-11.1	-169.6	-54.7	-65.6	0	0	0	115.3	C1149 Y1150	Y1147-C1149 PolarHBondContact O-N 2.93Å; Y1147-C1149 PolarHBondContact O-SG 3.26Å; Y1147-Y1150 HydrophobicContact CD2-CE2 4.24Å
1148	G	43.8	Very low	58.6	Low	11 Å²	11	34.9 Å²	34.9	11%	0.113	17%	0.174	C	C	.	.	S	Bend	trans	71.5	-18.5	-172.3	0	0	0	0	0	115.2	S1144 Y1150	S1144-G1148 VanDerWaalsContact O-CA 3.28Å; S1144-G1148 WeakPolarHBondContact O-CA 3.26Å; S1144-G1148 PolarHBondContact O-N 3.46Å; G1148-Y1150 VanDerWaalsContact C-N 3.27Å; G1148-Y1150 PolarHBondContact O-N 3.21Å
1149	C	45.4	Very low	58.3	Low	74 Å²	74	35 Å²	35	50%	0.5	18%	0.175	S	C	.	.			trans	-63.9	-25.1	-179.8	-49	0	0	0	0	114.5	Y1147 I1151	Y1147-C1149 PolarHBondContact O-N 2.93Å; Y1147-C1149 PolarHBondContact O-SG 3.26Å; C1149-I1151 PolarHBondContact O-N 2.91Å
1150	Y	50.2	Low	58.3	Low	86 Å²	86	34.7 Å²	34.7	34%	0.337	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	98.8	-175	-71.5	-69.2	0	0	0	111.4	T1058 S1144 Y1147 G1148 L1152	T1058-Y1150 HydrophobicContact CG2-CD1 4.15Å; S1144-Y1150 PolarHBondContact N-O 3.16Å; S1144-Y1150 VanDerWaalsContact OG-CB 3.29Å; S1144-Y1150 WeakPolarHBondContact OG-CB 3.28Å; S1144-Y1150 PolarHBondContact OG-O 3.01Å; Y1147-Y1150 HydrophobicContact CD2-CE2 4.24Å; G1148-Y1150 VanDerWaalsContact C-N 3.27Å; G1148-Y1150 PolarHBondContact O-N 3.21Å; Y1150-L1152 PolarHBondContact O-N 2.93Å
1151	I	60.6	Low	58.1	Low	84 Å²	84	37.7 Å²	37.7	43%	0.431	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	115.2	164.4	-70.1	166.7	0	0	0	108.8	I1141 C1149 Y1153	I1141-I1151 HydrophobicContact CB-CG2 4.39Å; I1141-I1151 HydrophobicContact CG1-CG2 4.08Å; I1141-I1151 HydrophobicContact CG2-CB 4.34Å; I1141-I1151 HydrophobicContact CG2-CG1 4.17Å; I1141-I1151 HydrophobicContact CG2-CG2 3.61Å; C1149-I1151 PolarHBondContact O-N 2.91Å; I1151-Y1153 HydrophobicContact CG2-CE1 4.43Å; I1151-Y1153 HydrophobicContact CG2-CE2 4.5Å
1152	L	62.5	Low	57.8	Low	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.1	170	-60.7	-177.8	0	0	0	110.7	L1055 T1058 I1141 T1142 Y1150 W1225	L1055-L1152 VanDerWaalsContact O-CD1 3.28Å; L1055-L1152 WeakPolarHBondContact O-CD1 3.47Å; T1058-L1152 HydrophobicContact CG2-CD2 3.51Å; I1141-L1152 WeakPolarHBondContact CA-O 3.42Å; T1142-L1152 PolarHBondContact N-O 3.5Å; T1142-L1152 PolarHBondContact O-N 2.97Å; Y1150-L1152 PolarHBondContact O-N 2.93Å; L1152-W1225 HydrophobicContact CD1-CZ2 4.04Å
1153	Y	67.5	Low	58	Low	25 Å²	25	38.8 Å²	38.8	10%	0.098	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	121.4	168.7	-59	-74.5	0	0	0	109.1	G1056 L1057 N1059 L1062 I1139 I1141 I1151	G1056-Y1153 VanDerWaalsContact CA-O 3.24Å; G1056-Y1153 WeakPolarHBondContact CA-O 3.19Å; L1057-Y1153 PolarHBondContact N-O 3.08Å; L1057-Y1153 VanDerWaalsContact N-O 3.11Å; L1057-Y1153 WeakPolarHBondContact O-CD2 3.24Å; L1057-Y1153 PolarHBondContact O-N 3.33Å; N1059-Y1153 PolarHBondContact ND2-OH 2.75Å; N1059-Y1153 WeakPolarHBondContact OD1-CE2 3.43Å; L1062-Y1153 HydrophobicContact CD1-CD2 4.04Å; I1139-Y1153 HydrophobicContact CG2-CD1 3.8Å; I1139-Y1153 HydrophobicContact CG2-CG 4.3Å; I1141-Y1153 HydrophobicContact CD1-CE1 4.11Å; I1141-Y1153 HydrophobicContact CG1-CD1 3.95Å; I1141-Y1153 HydrophobicContact CG1-CE1 3.82Å; I1151-Y1153 HydrophobicContact CG2-CE1 4.43Å; I1151-Y1153 HydrophobicContact CG2-CE2 4.5Å
1154	N	66.4	Low	58.2	Low	13 Å²	13	35.4 Å²	35.4	7%	0.07	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	152.4	178	-164.8	-5.4	0	0	0	110.3	I1139 M1140 T1142 N1156	I1139-N1154 WeakPolarHBondContact CA-O 3.32Å; M1140-N1154 PolarHBondContact N-O 3.25Å; M1140-N1154 PolarHBondContact O-N 3.32Å; T1142-N1154 HydrophobicContact CG2-CB 4.28Å; N1154-N1156 PolarHBondContact O-N 3.37Å
1155	M	65.6	Low	58.5	Low	13 Å²	13	39.7 Å²	39.7	6%	0.064	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	108.5	-178.2	-57.2	-51.8	-63.4	0	0	110.2	L1050 I1138 I1139 F1160	L1050-M1155 HydrophobicContact CB-CG 4.01Å; L1050-M1155 HydrophobicContact CB-SD 3.5Å; L1050-M1155 VanDerWaalsContact CB-SD 3.5Å; L1050-M1155 HydrophobicContact CD1-SD 3.98Å; L1050-M1155 HydrophobicContact CG-SD 4.33Å; I1138-M1155 HydrophobicContact CG2-CE 3.65Å; I1139-M1155 HydrophobicContact CD1-SD 4.08Å; I1139-M1155 HydrophobicContact CG1-CE 4.14Å; I1139-M1155 HydrophobicContact CG1-SD 3.78Å; M1155-F1160 HydrophobicContact CE-CD1 3.41Å; M1155-F1160 VanDerWaalsContact CE-CD1 3.41Å; M1155-F1160 HydrophobicContact CE-CE1 3.45Å; M1155-F1160 VanDerWaalsContact CE-CE1 3.45Å
1156	N	64.2	Low	59	Low	45 Å²	45	43.3 Å²	43.3	24%	0.241	21%	0.208	C	C	.	.			trans	-71.9	-41.7	-172.8	-168.5	18.7	0	0	0	112.5	N1137 I1138 M1140 N1154 Q1158	N1137-N1156 PolarHBondContact O-ND2 3.13Å; I1138-N1156 WeakPolarHBondContact O-CB 3.21Å; I1138-N1156 PolarHBondContact O-N 3.46Å; M1140-N1156 HydrophobicContact CB-CB 3.86Å; N1154-N1156 PolarHBondContact O-N 3.37Å; N1156-Q1158 PolarHBondContact O-N 3.37Å
1157	Q	63.7	Low	59.6	Low	12 Å²	12	47 Å²	47	6%	0.056	21%	0.214	C	C	.	.			trans	-89.5	108.5	-170.9	-65	174.1	9.3	0	0	110.3	Y1027 L1136 N1137 L1159 F1160 R1161	Y1027-Q1157 PolarHBondContact OH-OE1 3.42Å; L1136-Q1157 PolarHBondContact O-NE2 3.25Å; N1137-Q1157 PolarHBondContact O-NE2 3.39Å; N1137-Q1157 VanDerWaalsContact O-NE2 3.07Å; Q1157-L1159 VanDerWaalsContact C-N 3.26Å; Q1157-L1159 PolarHBondContact O-N 2.85Å; Q1157-F1160 HydrophobicContact CB-CB 3.98Å; Q1157-F1160 PolarHBondContact O-N 2.92Å; Q1157-R1161 PolarHBondContact O-N 3.39Å
1158	Q	61.8	Low	60.5	Low	32 Å²	32	43.4 Å²	43.4	15%	0.15	20%	0.2	C	C	.	.	H	α-helix	trans	-55.4	-42.4	177.2	-59.4	-159	3.8	0	0	111.4	E870 N871 N1156 F1160 R1161 Y1162	E870-Q1158 PolarHBondContact O-NE2 2.94Å; N871-Q1158 PolarHBondContact OD1-NE2 3.42Å; N1156-Q1158 PolarHBondContact O-N 3.37Å; Q1158-F1160 VanDerWaalsContact C-N 3.26Å; Q1158-F1160 PolarHBondContact O-N 3.33Å; Q1158-R1161 WeakPolarHBondContact O-CA 3.29Å; Q1158-R1161 WeakPolarHBondContact O-CB 3.3Å; Q1158-R1161 PolarHBondContact O-N 2.81Å; Q1158-Y1162 WeakPolarHBondContact O-CB 3.29Å; Q1158-Y1162 PolarHBondContact O-N 2.83Å
1159	L	61.1	Low	61.1	Low	4 Å²	4	43.3 Å²	43.3	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-47.5	-46.2	171.5	-90.8	179.4	0	0	0	113.4	N911 E914 N1023 Y1024 Y1027 Q1157 W1163	N911-L1159 WeakPolarHBondContact ND2-CD2 3.15Å; E914-L1159 WeakPolarHBondContact OE1-CA 3.3Å; E914-L1159 PolarHBondContact OE1-N 3.37Å; E914-L1159 WeakPolarHBondContact OE2-CD2 3.44Å; N1023-L1159 HydrophobicContact CB-CD1 4.41Å; Y1024-L1159 HydrophobicContact CE1-CD2 3.67Å; Y1024-L1159 WeakPolarHBondContact OH-CD2 3.41Å; Y1027-L1159 HydrophobicContact CE2-CB 4.18Å; Q1157-L1159 VanDerWaalsContact C-N 3.26Å; Q1157-L1159 PolarHBondContact O-N 2.85Å; L1159-W1163 WeakPolarHBondContact O-CB 3.32Å; L1159-W1163 PolarHBondContact O-N 3.29Å
1160	F	65.5	Low	61.3	Low	1 Å²	1	45 Å²	45	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-76.1	-35.8	-177.2	-170.5	-113.3	0	0	0	111	Y1027 L1031 I1138 M1155 Q1157 Q1158 W1163 I1164	Y1027-F1160 AromaticContact CD1-CD2 3.6Å; Y1027-F1160 HydrophobicContact CD1-CD2 3.6Å; Y1027-F1160 HydrophobicContact CD1-CE2 4Å; Y1027-F1160 AromaticContact CD2-CD2 3.82Å; Y1027-F1160 HydrophobicContact CD2-CD2 3.82Å; Y1027-F1160 HydrophobicContact CE1-CB 4.49Å; Y1027-F1160 AromaticContact CE1-CD2 3.93Å; Y1027-F1160 HydrophobicContact CE1-CD2 3.93Å; Y1027-F1160 HydrophobicContact CE2-CB 4.24Å; Y1027-F1160 HydrophobicContact CE2-CD2 4.16Å; Y1027-F1160 AromaticContact CG-CD2 3.56Å; Y1027-F1160 HydrophobicContact CG-CD2 3.56Å; Y1027-F1160 AromaticContact CG-CE2 3.99Å; Y1027-F1160 HydrophobicContact CG-CE2 3.99Å; L1031-F1160 HydrophobicContact CD1-CZ 4.36Å; L1031-F1160 HydrophobicContact CD2-CZ 4.14Å; L1031-F1160 HydrophobicContact CG-CZ 4.47Å; I1138-F1160 HydrophobicContact CG2-CD1 3.43Å; I1138-F1160 VanDerWaalsContact CG2-CD1 3.43Å; I1138-F1160 HydrophobicContact CG2-CE1 3.54Å; I1138-F1160 HydrophobicContact CG2-CG 4.16Å; I1138-F1160 HydrophobicContact CG2-CZ 4.36Å; M1155-F1160 HydrophobicContact CE-CD1 3.41Å; M1155-F1160 VanDerWaalsContact CE-CD1 3.41Å; M1155-F1160 HydrophobicContact CE-CE1 3.45Å; M1155-F1160 VanDerWaalsContact CE-CE1 3.45Å; Q1157-F1160 HydrophobicContact CB-CB 3.98Å; Q1157-F1160 PolarHBondContact O-N 2.92Å; Q1158-F1160 VanDerWaalsContact C-N 3.26Å; Q1158-F1160 PolarHBondContact O-N 3.33Å; F1160-W1163 AromaticContact CD2-CE3 3.95Å; F1160-W1163 HydrophobicContact CD2-CE3 3.95Å; F1160-W1163 HydrophobicContact CD2-CZ3 4.38Å; F1160-W1163 AromaticContact CE2-CE3 3.88Å; F1160-W1163 HydrophobicContact CE2-CE3 3.88Å; F1160-W1163 AromaticContact CE2-CZ3 3.85Å; F1160-W1163 HydrophobicContact CE2-CZ3 3.85Å; F1160-I1164 HydrophobicContact CD1-CD1 3.61Å; F1160-I1164 HydrophobicContact CE1-CD1 3.48Å; F1160-I1164 VanDerWaalsContact CE1-CD1 3.48Å; F1160-I1164 HydrophobicContact CE1-CG1 4.44Å; F1160-I1164 HydrophobicContact CG-CD1 4.24Å; F1160-I1164 HydrophobicContact CZ-CD1 4Å; F1160-I1164 WeakPolarHBondContact O-CB 3.12Å; F1160-I1164 WeakPolarHBondContact O-CD1 3.4Å; F1160-I1164 WeakPolarHBondContact O-CG1 3.42Å; F1160-I1164 PolarHBondContact O-N 2.93Å
1161	R	62.5	Low	61.1	Low	72 Å²	72	46.1 Å²	46.1	27%	0.272	21%	0.213	S	C	.	.	H	α-helix	trans	-64.3	-48.9	173.9	-170.7	178.4	-172	140.8	11.8	111.9	F1051 Q1157 Q1158 W1163 I1164 E1165	F1051-R1161 HydrophobicContact CD2-CG 3.86Å; F1051-R1161 HydrophobicContact CE2-CG 3.86Å; F1051-R1161 PolarHBondContact O-NH2 3.48Å; Q1157-R1161 PolarHBondContact O-N 3.39Å; Q1158-R1161 WeakPolarHBondContact O-CA 3.29Å; Q1158-R1161 WeakPolarHBondContact O-CB 3.3Å; Q1158-R1161 PolarHBondContact O-N 2.81Å; R1161-W1163 VanDerWaalsContact C-N 3.35Å; R1161-I1164 PolarHBondContact O-N 3.44Å; R1161-E1165 WeakPolarHBondContact O-CB 3.36Å; R1161-E1165 PolarHBondContact O-N 2.95Å
1162	Y	61.3	Low	60.5	Low	63 Å²	63	49.4 Å²	49.4	25%	0.247	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-41.8	176.1	178.7	-106.1	0	0	0	111.5	E914 Q1158 I1164 E1165 H1166	E914-Y1162 HydrophobicContact CG-CD1 4.32Å; E914-Y1162 HydrophobicContact CG-CG 4.46Å; Q1158-Y1162 WeakPolarHBondContact O-CB 3.29Å; Q1158-Y1162 PolarHBondContact O-N 2.83Å; Y1162-I1164 PolarHBondContact O-N 3.4Å; Y1162-E1165 PolarHBondContact O-N 3.43Å; Y1162-H1166 AromaticContact CD2-CD2 3.57Å; Y1162-H1166 AromaticContact CE2-CD2 3.23Å; Y1162-H1166 WeakPolarHBondContact CE2-CD2 3.06Å; Y1162-H1166 AromaticContact CE2-NE2 3.38Å; Y1162-H1166 WeakPolarHBondContact CE2-NE2 3.29Å; Y1162-H1166 AromaticContact CZ-CD2 3.77Å; Y1162-H1166 PolarHBondContact O-N 3.32Å
1163	W	66.1	Low	59.6	Low	5 Å²	5	59.1 Å²	59.1	2%	0.019	26%	0.263	C	S	.	.	H	α-helix	trans	-63.7	-40.6	175.3	178.8	72.5	0	0	0	112.9	Y1024 N1028 L1031 L1159 F1160 R1161 Y1167 Y1168	Y1024-W1163 HydrophobicContact CD1-CB 3.67Å; Y1024-W1163 AromaticContact CD1-CD1 3.52Å; Y1024-W1163 AromaticContact CD1-CG 3.75Å; Y1024-W1163 HydrophobicContact CD1-CG 3.75Å; Y1024-W1163 HydrophobicContact CE1-CB 3.94Å; Y1024-W1163 HydrophobicContact CE1-CG 4.48Å; Y1024-W1163 AromaticContact CG-CD1 3.85Å; Y1024-W1163 HydrophobicContact CG-CG 4.48Å; N1028-W1163 HydrophobicContact CB-CZ2 4.42Å; N1028-W1163 VanDerWaalsContact ND2-CZ2 3.28Å; N1028-W1163 WeakPolarHBondContact ND2-CZ2 3.26Å; L1031-W1163 HydrophobicContact CD1-CH2 3.79Å; L1031-W1163 HydrophobicContact CD1-CZ3 3.59Å; L1031-W1163 HydrophobicContact CG-CH2 4.23Å; L1031-W1163 HydrophobicContact CG-CZ3 4.14Å; L1159-W1163 WeakPolarHBondContact O-CB 3.32Å; L1159-W1163 PolarHBondContact O-N 3.29Å; F1160-W1163 AromaticContact CD2-CE3 3.95Å; F1160-W1163 HydrophobicContact CD2-CE3 3.95Å; F1160-W1163 HydrophobicContact CD2-CZ3 4.38Å; F1160-W1163 AromaticContact CE2-CE3 3.88Å; F1160-W1163 HydrophobicContact CE2-CE3 3.88Å; F1160-W1163 AromaticContact CE2-CZ3 3.85Å; F1160-W1163 HydrophobicContact CE2-CZ3 3.85Å; R1161-W1163 VanDerWaalsContact C-N 3.35Å; W1163-Y1167 AromaticContact CD1-CD2 3.59Å; W1163-Y1167 AromaticContact CD1-CG 3.93Å; W1163-Y1167 HydrophobicContact CG-CD2 4.38Å; W1163-Y1167 WeakPolarHBondContact O-CA 3.22Å; W1163-Y1167 WeakPolarHBondContact O-CB 3.39Å; W1163-Y1167 PolarHBondContact O-N 3.07Å; W1163-Y1168 AromaticContact CH2-CD2 3.89Å; W1163-Y1168 HydrophobicContact CH2-CD2 3.89Å; W1163-Y1168 HydrophobicContact CH2-CG 4.22Å; W1163-Y1168 HydrophobicContact CZ3-CD2 4.48Å; W1163-Y1168 HydrophobicContact CZ3-CG 4.42Å; W1163-Y1168 PolarHBondContact O-N 2.68Å
1164	I	64.9	Low	58.5	Low	0 Å²	0	60.1 Å²	60.1	0%	0	27%	0.272	C	S	.	.	I	π-helix	trans	-60.8	-46.3	172.7	-73.5	161.3	0	0	0	110.8	I1047 F1051 F1160 R1161 Y1162 Y1168 I1169	I1047-I1164 HydrophobicContact CG2-CD1 3.45Å; I1047-I1164 VanDerWaalsContact CG2-CD1 3.45Å; I1047-I1164 HydrophobicContact CG2-CG1 3.89Å; I1047-I1164 HydrophobicContact CG2-CG2 4.36Å; F1051-I1164 HydrophobicContact CB-CG2 3.95Å; F1051-I1164 HydrophobicContact CD1-CG2 4.39Å; F1051-I1164 HydrophobicContact CD2-CB 4.23Å; F1051-I1164 HydrophobicContact CD2-CG2 3.69Å; F1051-I1164 HydrophobicContact CE2-CG2 4.39Å; F1051-I1164 HydrophobicContact CG-CG2 3.72Å; F1160-I1164 HydrophobicContact CD1-CD1 3.61Å; F1160-I1164 HydrophobicContact CE1-CD1 3.48Å; F1160-I1164 VanDerWaalsContact CE1-CD1 3.48Å; F1160-I1164 HydrophobicContact CE1-CG1 4.44Å; F1160-I1164 HydrophobicContact CG-CD1 4.24Å; F1160-I1164 HydrophobicContact CZ-CD1 4Å; F1160-I1164 WeakPolarHBondContact O-CB 3.12Å; F1160-I1164 WeakPolarHBondContact O-CD1 3.4Å; F1160-I1164 WeakPolarHBondContact O-CG1 3.42Å; F1160-I1164 PolarHBondContact O-N 2.93Å; R1161-I1164 PolarHBondContact O-N 3.44Å; Y1162-I1164 PolarHBondContact O-N 3.4Å; I1164-Y1168 PolarHBondContact O-N 3.48Å; I1164-I1169 HydrophobicContact CG2-CD1 3.41Å; I1164-I1169 VanDerWaalsContact CG2-CD1 3.41Å; I1164-I1169 HydrophobicContact CG2-CG1 3.67Å; I1164-I1169 PolarHBondContact O-N 3.02Å
1165	E	59	Low	57.6	Low	89 Å²	89	62.7 Å²	62.7	42%	0.416	28%	0.284	S	S	.	.	I	π-helix	trans	-61.5	-46.4	-178.7	-168.7	149.5	-149.9	0	0	112.8	F1051 R1161 Y1162	F1051-E1165 HydrophobicContact CE2-CB 3.67Å; F1051-E1165 HydrophobicContact CE2-CG 4.16Å; F1051-E1165 HydrophobicContact CZ-CB 3.65Å; F1051-E1165 HydrophobicContact CZ-CG 3.68Å; R1161-E1165 WeakPolarHBondContact O-CB 3.36Å; R1161-E1165 PolarHBondContact O-N 2.95Å; Y1162-E1165 PolarHBondContact O-N 3.43Å
1166	H	58.7	Low	56.6	Low	93 Å²	93	67.1 Å²	67.1	43%	0.431	31%	0.307	S	S	.	.	I	π-helix	trans	-94.6	-19.7	-173.1	-83.7	-92.7	0	0	0	115.9	Y1162 N1170	Y1162-H1166 AromaticContact CD2-CD2 3.57Å; Y1162-H1166 AromaticContact CE2-CD2 3.23Å; Y1162-H1166 WeakPolarHBondContact CE2-CD2 3.06Å; Y1162-H1166 AromaticContact CE2-NE2 3.38Å; Y1162-H1166 WeakPolarHBondContact CE2-NE2 3.29Å; Y1162-H1166 AromaticContact CZ-CD2 3.77Å; Y1162-H1166 PolarHBondContact O-N 3.32Å; H1166-N1170 PolarHBondContact O-ND2 3.44Å
1167	Y	57.5	Low	55.9	Low	139 Å²	139	69.2 Å²	69.2	55%	0.545	32%	0.315	S	S	.	.	I	π-helix	trans	-128.2	-31.6	-172.7	-59.7	-89	0	0	0	114.5	W1163	W1163-Y1167 AromaticContact CD1-CD2 3.59Å; W1163-Y1167 AromaticContact CD1-CG 3.93Å; W1163-Y1167 HydrophobicContact CG-CD2 4.38Å; W1163-Y1167 WeakPolarHBondContact O-CA 3.22Å; W1163-Y1167 WeakPolarHBondContact O-CB 3.39Å; W1163-Y1167 PolarHBondContact O-N 3.07Å
1168	Y	61.1	Low	55.1	Low	50 Å²	50	68.8 Å²	68.8	20%	0.196	31%	0.313	C	S	.	.	I	π-helix	trans	-93.9	-38.6	-174.7	-161.9	-122.3	0	0	0	113.5	L1031 E1035 Q1044 I1047 W1163 I1164 N1170	L1031-Y1168 HydrophobicContact CD1-CD1 4.22Å; L1031-Y1168 HydrophobicContact CD1-CD2 4.15Å; L1031-Y1168 HydrophobicContact CD1-CE1 3.74Å; L1031-Y1168 HydrophobicContact CD1-CE2 3.69Å; L1031-Y1168 HydrophobicContact CD1-CG 4.4Å; L1031-Y1168 VanDerWaalsContact CD1-CZ 3.45Å; E1035-Y1168 PolarHBondContact OE1-OH 2.8Å; Q1044-Y1168 HydrophobicContact CG-CE1 4.1Å; Q1044-Y1168 WeakPolarHBondContact CG-OH 3.33Å; I1047-Y1168 HydrophobicContact CB-CE1 4.33Å; I1047-Y1168 HydrophobicContact CD1-CE1 4.44Å; I1047-Y1168 HydrophobicContact CG2-CD1 4.14Å; I1047-Y1168 HydrophobicContact CG2-CE1 4Å; W1163-Y1168 AromaticContact CH2-CD2 3.89Å; W1163-Y1168 HydrophobicContact CH2-CD2 3.89Å; W1163-Y1168 HydrophobicContact CH2-CG 4.22Å; W1163-Y1168 HydrophobicContact CZ3-CD2 4.48Å; W1163-Y1168 HydrophobicContact CZ3-CG 4.42Å; W1163-Y1168 PolarHBondContact O-N 2.68Å; I1164-Y1168 PolarHBondContact O-N 3.48Å; Y1168-N1170 PolarHBondContact O-N 2.67Å
1169	I	58.2	Low	54.7	Low	9 Å²	9	67.9 Å²	67.9	5%	0.046	31%	0.309	C	S	.	.			trans	-99.5	35.6	-177.4	-42.7	-176.7	0	0	0	112.2	F1051 I1164 N1171 Q1175	F1051-I1169 HydrophobicContact CB-CD1 4.32Å; F1051-I1169 HydrophobicContact CD1-CD1 3.63Å; F1051-I1169 HydrophobicContact CE1-CD1 4.26Å; F1051-I1169 HydrophobicContact CG-CD1 4.04Å; I1164-I1169 HydrophobicContact CG2-CD1 3.41Å; I1164-I1169 VanDerWaalsContact CG2-CD1 3.41Å; I1164-I1169 HydrophobicContact CG2-CG1 3.67Å; I1164-I1169 PolarHBondContact O-N 3.02Å; I1169-N1171 PolarHBondContact O-N 2.89Å; I1169-Q1175 HydrophobicContact CG2-CG 3.72Å; I1169-Q1175 PolarHBondContact O-NE2 3.16Å
1170	N	49.1	Very low	54.1	Low	111 Å²	111	70.7 Å²	70.7	59%	0.594	33%	0.327	S	S	*	.			trans	-76.3	38.9	177	-81.9	-26.6	0	0	0	114.2	H1166 Y1168	H1166-N1170 PolarHBondContact O-ND2 3.44Å; Y1168-N1170 PolarHBondContact O-N 2.67Å
1171	N	46.4	Very low	53.4	Low	109 Å²	109	71.5 Å²	71.5	58%	0.583	33%	0.331	S	S	*	.			trans	-135	102.2	173.1	-93.9	-67.1	0	0	0	109.4	I1169 R1173 T1174	I1169-N1171 PolarHBondContact O-N 2.89Å; N1171-R1173 PolarHBondContact O-N 3.39Å; N1171-T1174 HydrophobicContact CB-CG2 4.45Å; N1171-T1174 PolarHBondContact O-N 3.02Å; N1171-T1174 PolarHBondContact O-OG1 3.14Å
1172	H	47.6	Very low	52.8	Low	152 Å²	152	69.9 Å²	69.9	70%	0.704	33%	0.326	S	S	*	.	H	α-helix	trans	-51.3	-26.9	-179.6	-69.6	-62.6	0	0	0	114.2	L1176	H1172-L1176 PolarHBondContact O-N 2.82Å; H1172-L1176 VanDerWaalsContact O-N 3.16Å
1173	R	42.9	Very low	52.3	Low	204 Å²	204	67.6 Å²	67.6	77%	0.77	32%	0.318	S	S	*	.	H	α-helix	trans	-60	-42.1	174.3	-72.7	-176.7	172.9	175.4	-2.2	113.4	N1171 L1176 E1177	N1171-R1173 PolarHBondContact O-N 3.39Å; R1173-L1176 PolarHBondContact O-N 3.17Å; R1173-E1177 WeakPolarHBondContact O-CG 3.49Å; R1173-E1177 PolarHBondContact O-N 2.79Å
1174	T	45	Very low	51.5	Low	47 Å²	47	71.3 Å²	71.3	29%	0.288	34%	0.338	S	S	.	.	H	α-helix	trans	-72.9	-30.6	-176	55.9	0	0	0	0	112.3	N1171 Y1178	N1171-T1174 HydrophobicContact CB-CG2 4.45Å; N1171-T1174 PolarHBondContact O-N 3.02Å; N1171-T1174 PolarHBondContact O-OG1 3.14Å; T1174-Y1178 PolarHBondContact O-N 3.34Å
1175	Q	46.6	Very low	50.8	Low	66 Å²	66	73 Å²	73	31%	0.308	35%	0.349	S	S	.	.	H	α-helix	trans	-68.5	-45.8	172.4	-61.8	178.4	-6.6	0	0	111.5	I1169 Y1178 H1179	I1169-Q1175 HydrophobicContact CG2-CG 3.72Å; I1169-Q1175 PolarHBondContact O-NE2 3.16Å; Q1175-Y1178 PolarHBondContact O-N 3.09Å; Q1175-Y1178 VanDerWaalsContact O-N 3.09Å; Q1175-H1179 PolarHBondContact O-N 3.05Å
1176	L	44.6	Very low	50.2	Low	106 Å²	106	69 Å²	69	56%	0.555	33%	0.33	S	S	*	.	H	α-helix	trans	-63.9	-43	178.8	-88.7	162.1	0	0	0	113.3	H1172 R1173 Y1178 T1180 L1238	H1172-L1176 PolarHBondContact O-N 2.82Å; H1172-L1176 VanDerWaalsContact O-N 3.16Å; R1173-L1176 PolarHBondContact O-N 3.17Å; L1176-Y1178 PolarHBondContact O-N 3.12Å; L1176-T1180 PolarHBondContact O-N 2.89Å; L1176-T1180 PolarHBondContact O-OG1 3.04Å; L1176-L1238 HydrophobicContact CD2-CD2 4.26Å
1177	E	50.6	Low	49.7	Very low	90 Å²	90	70.7 Å²	70.7	42%	0.421	33%	0.333	S	S	.	.	H	α-helix	trans	-56.6	-36.4	170.7	-78.2	178.9	-176.9	0	0	111.7	K1069 R1173 T1180 I1181	K1069-E1177 WeakPolarHBondContact CE-OE2 3.23Å; K1069-E1177 IonicContact NZ-OE2 3.17Å; K1069-E1177 PolarHBondContact NZ-OE2 2.74Å; R1173-E1177 WeakPolarHBondContact O-CG 3.49Å; R1173-E1177 PolarHBondContact O-N 2.79Å; E1177-T1180 WeakPolarHBondContact CA-OG1 3.37Å; E1177-T1180 PolarHBondContact O-N 3.46Å; E1177-T1180 PolarHBondContact O-OG1 2.98Å; E1177-I1181 WeakPolarHBondContact O-CD1 3.43Å; E1177-I1181 VanDerWaalsContact O-CG1 3.23Å; E1177-I1181 WeakPolarHBondContact O-CG1 3.35Å; E1177-I1181 PolarHBondContact O-N 3.33Å
1178	Y	46.8	Very low	49.1	Very low	3 Å²	3	67.1 Å²	67.1	1%	0.012	32%	0.324	C	S	.	.	H	α-helix	trans	-77.2	-43.4	-170.2	-132.8	-85.7	0	0	0	113.9	F1045 N1049 L1052 K1069 T1174 Q1175 L1176 T1180 I1181 Q1182	F1045-Y1178 HydrophobicContact CD2-CE2 4.1Å; F1045-Y1178 AromaticContact CE2-CE2 3.86Å; F1045-Y1178 HydrophobicContact CE2-CE2 3.86Å; F1045-Y1178 AromaticContact CE2-CZ 3.86Å; F1045-Y1178 WeakPolarHBondContact CE2-OH 3.4Å; F1045-Y1178 VanDerWaalsContact CZ-OH 3.25Å; F1045-Y1178 WeakPolarHBondContact CZ-OH 3.45Å; N1049-Y1178 PolarHBondContact ND2-OH 2.75Å; N1049-Y1178 VanDerWaalsContact OD1-CE1 3.29Å; N1049-Y1178 WeakPolarHBondContact OD1-CE1 3.27Å; N1049-Y1178 VanDerWaalsContact OD1-CZ 3.23Å; N1049-Y1178 PolarHBondContact OD1-OH 3.26Å; L1052-Y1178 VanDerWaalsContact CD1-CB 3.44Å; L1052-Y1178 HydrophobicContact CD1-CD1 3.59Å; L1052-Y1178 HydrophobicContact CD1-CG 3.58Å; K1069-Y1178 HydrophobicContact CD-CE2 4.2Å; T1174-Y1178 PolarHBondContact O-N 3.34Å; Q1175-Y1178 PolarHBondContact O-N 3.09Å; Q1175-Y1178 VanDerWaalsContact O-N 3.09Å; L1176-Y1178 PolarHBondContact O-N 3.12Å; Y1178-T1180 PolarHBondContact O-N 2.98Å; Y1178-I1181 HydrophobicContact CD2-CD1 4.29Å; Y1178-I1181 HydrophobicContact CE2-CD1 4.07Å; Y1178-I1181 PolarHBondContact O-N 3.29Å; Y1178-I1181 VanDerWaalsContact O-N 3.1Å; Y1178-Q1182 PolarHBondContact O-N 2.73Å
1179	H	52.2	Low	48.4	Very low	12 Å²	12	69.7 Å²	69.7	6%	0.056	34%	0.338	C	S	.	.	H	α-helix	trans	-67	-28.6	172.7	-61.6	-48.4	0	0	0	111.8	Q1175 Q1182 L1183 H1234 L1238	Q1175-H1179 PolarHBondContact O-N 3.05Å; H1179-Q1182 PolarHBondContact ND1-OE1 3.29Å; H1179-Q1182 VanDerWaalsContact ND1-OE1 3.13Å; H1179-L1183 VanDerWaalsContact O-CB 3.3Å; H1179-L1183 WeakPolarHBondContact O-CB 3.34Å; H1179-L1183 VanDerWaalsContact O-CG 3.28Å; H1179-L1183 WeakPolarHBondContact O-CG 3.36Å; H1179-L1183 PolarHBondContact O-N 2.77Å; H1179-H1234 AromaticContact CE1-CE1 3.95Å; H1179-H1234 AromaticContact CE1-ND1 3.37Å; H1179-H1234 PolarHBondContact CE1-ND1 3.19Å; H1179-H1234 AromaticContact ND1-CG 3.82Å; H1179-H1234 AromaticContact ND1-ND1 3.51Å; H1179-L1238 HydrophobicContact CB-CD1 3.63Å; H1179-L1238 HydrophobicContact CB-CD2 3.97Å; H1179-L1238 HydrophobicContact CB-CG 3.87Å
1180	T	50.2	Low	47.7	Very low	64 Å²	64	70.9 Å²	70.9	39%	0.393	34%	0.343	S	S	.	.	H	α-helix	trans	-71.3	-31.6	169	41.9	0	0	0	0	113.1	L1176 E1177 Y1178 L1183 N1184	L1176-T1180 PolarHBondContact O-N 2.89Å; L1176-T1180 PolarHBondContact O-OG1 3.04Å; E1177-T1180 WeakPolarHBondContact CA-OG1 3.37Å; E1177-T1180 PolarHBondContact O-N 3.46Å; E1177-T1180 PolarHBondContact O-OG1 2.98Å; Y1178-T1180 PolarHBondContact O-N 2.98Å; T1180-L1183 CarbonylContact O-C 3.54Å; T1180-L1183 PolarHBondContact O-N 3.48Å; T1180-N1184 WeakPolarHBondContact O-CB 3.44Å; T1180-N1184 PolarHBondContact O-N 3.39Å; T1180-N1184 PolarHBondContact O-ND2 2.86Å; T1180-N1184 PolarHBondContact O-OD1 2.97Å
1181	I	49.1	Very low	47.3	Very low	17 Å²	17	70.8 Å²	70.8	9%	0.087	34%	0.337	C	S	.	.	H	α-helix	trans	-67.4	-46.2	171.2	-71.5	159.7	0	0	0	111.5	L1065 L1068 K1069 E1177 Y1178 L1183 N1184 V1185	L1065-I1181 HydrophobicContact CD2-CG2 3.86Å; L1068-I1181 HydrophobicContact CB-CG2 4.42Å; K1069-I1181 HydrophobicContact CB-CD1 4.02Å; K1069-I1181 HydrophobicContact CD-CD1 3.57Å; K1069-I1181 HydrophobicContact CG-CD1 3.69Å; E1177-I1181 WeakPolarHBondContact O-CD1 3.43Å; E1177-I1181 VanDerWaalsContact O-CG1 3.23Å; E1177-I1181 WeakPolarHBondContact O-CG1 3.35Å; E1177-I1181 PolarHBondContact O-N 3.33Å; Y1178-I1181 HydrophobicContact CD2-CD1 4.29Å; Y1178-I1181 HydrophobicContact CE2-CD1 4.07Å; Y1178-I1181 PolarHBondContact O-N 3.29Å; Y1178-I1181 VanDerWaalsContact O-N 3.1Å; I1181-L1183 VanDerWaalsContact C-N 3.31Å; I1181-L1183 PolarHBondContact O-N 3.09Å; I1181-N1184 CarbonylContact O-C 3.46Å; I1181-N1184 WeakPolarHBondContact O-CA 3.19Å; I1181-N1184 PolarHBondContact O-N 3.18Å; I1181-V1185 PolarHBondContact O-N 3.39Å
1182	Q	50.6	Low	46.9	Very low	39 Å²	39	71.6 Å²	71.6	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-59.2	-42.7	172.8	-70.1	175.1	-58.2	0	0	111.4	Y1178 H1179 N1184 V1185 F1186 H1234	Y1178-Q1182 PolarHBondContact O-N 2.73Å; H1179-Q1182 PolarHBondContact ND1-OE1 3.29Å; H1179-Q1182 VanDerWaalsContact ND1-OE1 3.13Å; Q1182-N1184 PolarHBondContact O-N 2.67Å; Q1182-V1185 WeakPolarHBondContact O-CB 3.23Å; Q1182-V1185 PolarHBondContact O-N 3.34Å; Q1182-F1186 WeakPolarHBondContact O-CB 3.31Å; Q1182-F1186 PolarHBondContact O-N 2.83Å; Q1182-H1234 PolarHBondContact NE2-CD2 3.45Å; Q1182-H1234 PolarHBondContact NE2-NE2 3.08Å; Q1182-H1234 PolarHBondContact OE1-CD2 2.82Å; Q1182-H1234 PolarHBondContact OE1-NE2 3.04Å
1183	L	51.7	Low	46.4	Very low	15 Å²	15	66.4 Å²	66.4	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-65.2	-24.2	172.5	-77.3	169.7	0	0	0	113.3	H1179 T1180 I1181 Y1187 L1235 L1238 K1243	H1179-L1183 VanDerWaalsContact O-CB 3.3Å; H1179-L1183 WeakPolarHBondContact O-CB 3.34Å; H1179-L1183 VanDerWaalsContact O-CG 3.28Å; H1179-L1183 WeakPolarHBondContact O-CG 3.36Å; H1179-L1183 PolarHBondContact O-N 2.77Å; T1180-L1183 CarbonylContact O-C 3.54Å; T1180-L1183 PolarHBondContact O-N 3.48Å; I1181-L1183 VanDerWaalsContact C-N 3.31Å; I1181-L1183 PolarHBondContact O-N 3.09Å; L1183-Y1187 WeakPolarHBondContact O-CB 3.18Å; L1183-Y1187 PolarHBondContact O-N 3.15Å; L1183-L1235 HydrophobicContact CD1-CD2 4.22Å; L1183-L1235 HydrophobicContact CD2-CD2 3.68Å; L1183-L1235 HydrophobicContact CD2-CG 4.21Å; L1183-L1238 HydrophobicContact CD1-CD1 3.52Å; L1183-K1243 HydrophobicContact CD1-CD 4.48Å
1184	N	47.9	Very low	46.1	Very low	82 Å²	82	59.7 Å²	59.7	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-84.6	-30.8	175.2	-72.5	-18.1	0	0	0	112.6	T1180 I1181 Q1182 F1186 Y1187 N1188	T1180-N1184 WeakPolarHBondContact O-CB 3.44Å; T1180-N1184 PolarHBondContact O-N 3.39Å; T1180-N1184 PolarHBondContact O-ND2 2.86Å; T1180-N1184 PolarHBondContact O-OD1 2.97Å; I1181-N1184 CarbonylContact O-C 3.46Å; I1181-N1184 WeakPolarHBondContact O-CA 3.19Å; I1181-N1184 PolarHBondContact O-N 3.18Å; Q1182-N1184 PolarHBondContact O-N 2.67Å; N1184-F1186 VanDerWaalsContact C-N 3.33Å; N1184-Y1187 PolarHBondContact O-N 2.65Å; N1184-N1188 VanDerWaalsContact O-CB 3.3Å; N1184-N1188 WeakPolarHBondContact O-CB 3.15Å; N1184-N1188 PolarHBondContact O-N 2.88Å; N1184-N1188 PolarHBondContact O-ND2 2.68Å; N1184-N1188 VanDerWaalsContact O-ND2 3.13Å
1185	V	50.1	Low	45.7	Very low	36 Å²	36	61.2 Å²	61.2	22%	0.218	30%	0.303	C	S	.	.	H	α-helix	trans	-55.9	-54.1	163.5	178.5	0	0	0	0	108.5	L1065 L1068 I1181 Q1182 Y1187 N1188 Q1189	L1065-V1185 HydrophobicContact CD2-CG2 3.7Å; L1068-V1185 HydrophobicContact CD1-CB 4.32Å; L1068-V1185 HydrophobicContact CD1-CG2 3.41Å; L1068-V1185 VanDerWaalsContact CD1-CG2 3.41Å; I1181-V1185 PolarHBondContact O-N 3.39Å; Q1182-V1185 WeakPolarHBondContact O-CB 3.23Å; Q1182-V1185 PolarHBondContact O-N 3.34Å; V1185-Y1187 PolarHBondContact O-N 3.05Å; V1185-N1188 PolarHBondContact O-N 3.26Å; V1185-Q1189 WeakPolarHBondContact O-CG 3.36Å; V1185-Q1189 PolarHBondContact O-N 3.28Å
1186	F	47.4	Very low	45	Very low	5 Å²	5	61.9 Å²	61.9	2%	0.022	31%	0.312	C	S	.	.	H	α-helix	trans	-55.9	-51.8	176.1	179.9	-73	0	0	0	111.4	Q1182 N1184 N1188 Q1189 H1190 W1227 V1231 F1247	Q1182-F1186 WeakPolarHBondContact O-CB 3.31Å; Q1182-F1186 PolarHBondContact O-N 2.83Å; N1184-F1186 VanDerWaalsContact C-N 3.33Å; F1186-N1188 VanDerWaalsContact C-N 3.32Å; F1186-N1188 PolarHBondContact O-N 3.21Å; F1186-Q1189 PolarHBondContact O-N 3.13Å; F1186-H1190 HydrophobicContact CD1-CB 4.31Å; F1186-H1190 HydrophobicContact CE1-CB 4.03Å; F1186-H1190 AromaticContact CE1-CD2 3.56Å; F1186-H1190 AromaticContact CZ-CD2 3.54Å; F1186-H1190 WeakPolarHBondContact O-CB 3.26Å; F1186-H1190 PolarHBondContact O-N 3.05Å; F1186-W1227 AromaticContact CD2-CE2 3.61Å; F1186-W1227 AromaticContact CD2-CZ2 3.87Å; F1186-W1227 HydrophobicContact CD2-CZ2 3.87Å; F1186-W1227 AromaticContact CD2-NE1 3.21Å; F1186-W1227 HydrophobicContact CE2-CD2 4.3Å; F1186-W1227 AromaticContact CE2-CE2 3.35Å; F1186-W1227 HydrophobicContact CE2-CH2 4.03Å; F1186-W1227 AromaticContact CE2-CZ2 3.2Å; F1186-W1227 HydrophobicContact CE2-CZ2 3.2Å; F1186-W1227 AromaticContact CE2-NE1 3.51Å; F1186-W1227 HydrophobicContact CZ-CH2 4.39Å; F1186-W1227 AromaticContact CZ-CZ2 3.73Å; F1186-W1227 HydrophobicContact CZ-CZ2 3.73Å; F1186-V1231 HydrophobicContact CD2-CG1 3.89Å; F1186-V1231 HydrophobicContact CD2-CG2 4Å; F1186-V1231 HydrophobicContact CE2-CG1 3.86Å; F1186-V1231 HydrophobicContact CE2-CG2 4.48Å; F1186-F1247 HydrophobicContact CE1-CB 4.03Å; F1186-F1247 AromaticContact CE1-CD1 3.44Å; F1186-F1247 HydrophobicContact CE1-CD1 3.44Å; F1186-F1247 VanDerWaalsContact CE1-CD1 3.44Å; F1186-F1247 HydrophobicContact CE1-CD2 4.04Å; F1186-F1247 AromaticContact CE1-CE1 3.79Å; F1186-F1247 HydrophobicContact CE1-CE1 3.79Å; F1186-F1247 HydrophobicContact CE1-CE2 4.35Å; F1186-F1247 AromaticContact CE1-CG 3.58Å; F1186-F1247 HydrophobicContact CE1-CG 3.58Å; F1186-F1247 HydrophobicContact CE1-CZ 4.23Å; F1186-F1247 HydrophobicContact CE2-CB 4.41Å; F1186-F1247 HydrophobicContact CZ-CB 3.6Å; F1186-F1247 AromaticContact CZ-CD1 3.77Å; F1186-F1247 HydrophobicContact CZ-CD1 3.77Å; F1186-F1247 HydrophobicContact CZ-CD2 4.45Å; F1186-F1247 AromaticContact CZ-CG 3.71Å; F1186-F1247 HydrophobicContact CZ-CG 3.71Å
1187	Y	47.8	Very low	44.3	Very low	129 Å²	129	61.7 Å²	61.7	51%	0.506	31%	0.311	S	S	.	.	H	α-helix	trans	-65.9	-35.3	-175	-163.3	-96	0	0	0	111.6	L1183 N1184 V1185 K1191 F1247	L1183-Y1187 WeakPolarHBondContact O-CB 3.18Å; L1183-Y1187 PolarHBondContact O-N 3.15Å; N1184-Y1187 PolarHBondContact O-N 2.65Å; V1185-Y1187 PolarHBondContact O-N 3.05Å; Y1187-K1191 HydrophobicContact CE1-CD 4.38Å; Y1187-K1191 WeakPolarHBondContact O-CB 3.25Å; Y1187-K1191 PolarHBondContact O-N 2.74Å; Y1187-F1247 HydrophobicContact CD2-CZ 4.29Å
1188	N	45.4	Very low	43.3	Very low	64 Å²	64	62.3 Å²	62.3	34%	0.342	32%	0.321	S	S	.	.	H	α-helix	trans	-66.8	-47.8	173	-71.9	-29.5	0	0	0	111.4	N1184 V1185 F1186 H1190 K1191 Y1192	N1184-N1188 VanDerWaalsContact O-CB 3.3Å; N1184-N1188 WeakPolarHBondContact O-CB 3.15Å; N1184-N1188 PolarHBondContact O-N 2.88Å; N1184-N1188 PolarHBondContact O-ND2 2.68Å; N1184-N1188 VanDerWaalsContact O-ND2 3.13Å; V1185-N1188 PolarHBondContact O-N 3.26Å; F1186-N1188 VanDerWaalsContact C-N 3.32Å; F1186-N1188 PolarHBondContact O-N 3.21Å; N1188-H1190 PolarHBondContact O-N 2.82Å; N1188-K1191 PolarHBondContact O-N 2.99Å; N1188-Y1192 WeakPolarHBondContact O-CD2 3.43Å; N1188-Y1192 PolarHBondContact O-N 3.13Å
1189	Q	45.5	Very low	42.5	Very low	104 Å²	104	65.8 Å²	65.8	49%	0.486	34%	0.343	S	S	.	.	H	α-helix	trans	-58.8	-44.4	176.1	-72.7	173.8	-18.7	0	0	112.4	V1185 F1186 Y1192 T1193	V1185-Q1189 WeakPolarHBondContact O-CG 3.36Å; V1185-Q1189 PolarHBondContact O-N 3.28Å; F1186-Q1189 PolarHBondContact O-N 3.13Å; Q1189-Y1192 PolarHBondContact O-N 3.37Å; Q1189-T1193 PolarHBondContact O-N 2.75Å
1190	H	43.4	Very low	41.2	Very low	33 Å²	33	71.5 Å²	71.5	15%	0.153	37%	0.374	C	S	.	.	H	α-helix	trans	-73.2	-33.2	-179.9	-146	-67.6	0	0	0	112	F1186 N1188 T1193 T1194	F1186-H1190 HydrophobicContact CD1-CB 4.31Å; F1186-H1190 HydrophobicContact CE1-CB 4.03Å; F1186-H1190 AromaticContact CE1-CD2 3.56Å; F1186-H1190 AromaticContact CZ-CD2 3.54Å; F1186-H1190 WeakPolarHBondContact O-CB 3.26Å; F1186-H1190 PolarHBondContact O-N 3.05Å; N1188-H1190 PolarHBondContact O-N 2.82Å; H1190-T1193 PolarHBondContact O-N 3.34Å; H1190-T1193 PolarHBondContact O-OG1 3.44Å; H1190-T1193 VanDerWaalsContact O-OG1 3.12Å; H1190-T1194 WeakPolarHBondContact O-CB 3.34Å; H1190-T1194 PolarHBondContact O-N 3.15Å; H1190-T1194 PolarHBondContact O-OG1 2.84Å
1191	K	41.8	Very low	40.1	Very low	110 Å²	110	75.8 Å²	75.8	48%	0.478	40%	0.4	S	S	.	.	H	α-helix	trans	-63	-42.6	171.3	-170.2	173.5	-172.5	-179.8	0	111.2	Y1187 N1188 T1193 T1194 T1195	Y1187-K1191 HydrophobicContact CE1-CD 4.38Å; Y1187-K1191 WeakPolarHBondContact O-CB 3.25Å; Y1187-K1191 PolarHBondContact O-N 2.74Å; N1188-K1191 PolarHBondContact O-N 2.99Å; K1191-T1193 PolarHBondContact O-N 2.81Å; K1191-T1193 VanDerWaalsContact O-N 3.16Å; K1191-T1194 WeakPolarHBondContact CA-OG1 3.49Å; K1191-T1194 PolarHBondContact O-N 3.17Å; K1191-T1194 PolarHBondContact O-OG1 3.13Å; K1191-T1195 HydrophobicContact CG-CG2 3.8Å; K1191-T1195 WeakPolarHBondContact O-CG2 3.29Å; K1191-T1195 PolarHBondContact O-N 3.12Å; K1191-T1195 PolarHBondContact O-OG1 3.43Å
1192	Y	38.7	Very low	39	Very low	126 Å²	126	79.9 Å²	79.9	49%	0.494	43%	0.426	S	S	.	.	H	α-helix	trans	-62.5	-17.7	174.8	-72.9	-55.1	0	0	0	114.7	N1188 Q1189	N1188-Y1192 WeakPolarHBondContact O-CD2 3.43Å; N1188-Y1192 PolarHBondContact O-N 3.13Å; Q1189-Y1192 PolarHBondContact O-N 3.37Å
1193	T	37	Very low	37.8	Very low	42 Å²	42	82.9 Å²	82.9	26%	0.258	45%	0.447	S	S	.	.	H	α-helix	trans	-108.2	-14	175.7	53.8	0	0	0	0	115	Q1189 H1190 K1191 T1196 L1221	Q1189-T1193 PolarHBondContact O-N 2.75Å; H1190-T1193 PolarHBondContact O-N 3.34Å; H1190-T1193 PolarHBondContact O-OG1 3.44Å; H1190-T1193 VanDerWaalsContact O-OG1 3.12Å; K1191-T1193 PolarHBondContact O-N 2.81Å; K1191-T1193 VanDerWaalsContact O-N 3.16Å; T1193-T1196 PolarHBondContact O-OG1 2.92Å; T1193-L1221 HydrophobicContact CG2-CD2 3.77Å; T1193-L1221 HydrophobicContact CG2-CG 4.26Å
1194	T	36.9	Very low	36.5	Very low	63 Å²	63	85.6 Å²	85.6	39%	0.387	47%	0.465	S	S	.	.	H	α-helix	trans	-91.1	-37.3	172.9	44.7	0	0	0	0	111.7	H1190 K1191 T1196 N1197	H1190-T1194 WeakPolarHBondContact O-CB 3.34Å; H1190-T1194 PolarHBondContact O-N 3.15Å; H1190-T1194 PolarHBondContact O-OG1 2.84Å; K1191-T1194 WeakPolarHBondContact CA-OG1 3.49Å; K1191-T1194 PolarHBondContact O-N 3.17Å; K1191-T1194 PolarHBondContact O-OG1 3.13Å; T1194-T1196 PolarHBondContact O-N 3.35Å; T1194-T1196 VanDerWaalsContact O-N 3.12Å; T1194-N1197 PolarHBondContact O-N 2.93Å
1195	T	35.3	Very low	35.3	Very low	79 Å²	79	82.9 Å²	82.9	49%	0.485	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-1	-179.6	62.9	0	0	0	0	114.7	K1191	K1191-T1195 HydrophobicContact CG-CG2 3.8Å; K1191-T1195 WeakPolarHBondContact O-CG2 3.29Å; K1191-T1195 PolarHBondContact O-N 3.12Å; K1191-T1195 PolarHBondContact O-OG1 3.43Å
1196	T	33.3	Very low	34.1	Very low	81 Å²	81	84.6 Å²	84.6	50%	0.497	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-15.2	172.2	55.5	0	0	0	0	113.5	T1193 T1194	T1193-T1196 PolarHBondContact O-OG1 2.92Å; T1194-T1196 PolarHBondContact O-N 3.35Å; T1194-T1196 VanDerWaalsContact O-N 3.12Å
1197	N	29.7	Very low	33.1	Very low	102 Å²	102	87.7 Å²	87.7	55%	0.545	48%	0.483	S	S	.	.	S	Bend	trans	-120.9	9.3	-172.4	-66.7	22.4	0	0	0	113.2	T1194	T1194-N1197 PolarHBondContact O-N 2.93Å
1198	T	28.1	Very low	32.1	Very low	103 Å²	103	86.6 Å²	86.6	63%	0.632	49%	0.49	S	S	*	.			trans	-116.1	76.7	179.9	58.3	0	0	0	0	111.6
1199	T	30	Very low	31.1	Very low	75 Å²	75	87.3 Å²	87.3	46%	0.46	50%	0.497	S	S	.	.			trans	-135.2	106	170.4	49.7	0	0	0	0	110.9
1200	D	26.6	Very low	30.3	Very low	132 Å²	132	88.5 Å²	88.5	71%	0.706	51%	0.512	S	S	*	.			trans	61.3	75.8	143.1	-49.1	-28.7	0	0	0	119.8	T1202	D1200-T1202 PolarHBondContact O-N 2.92Å
1201	T	26.1	Very low	29.5	Very low	154 Å²	154	92.6 Å²	92.6	95%	0.945	54%	0.539	S	S	*	.	S	Bend	trans	-82.7	44.7	146.8	42.2	0	0	0	0	112.8
1202	T	25.9	Very low	28.7	Very low	103 Å²	103	92.2 Å²	92.2	63%	0.632	55%	0.551	S	S	*	*	S	Bend	trans	-143.8	112.9	156	50.1	0	0	0	0	110.4	D1200	D1200-T1202 PolarHBondContact O-N 2.92Å
1203	T	25.2	Very low	28.1	Very low	103 Å²	103	91.4 Å²	91.4	63%	0.632	56%	0.563	S	S	*	*			trans	17.8	121.9	135.4	54.3	0	0	0	0	117.3	T1824	T1203-T1824 HydrophobicContact CG2-CG2 4.25Å
1204	T	24.6	Very low	27.6	Very low	72 Å²	72	94.5 Å²	94.5	44%	0.442	59%	0.586	S	S	.	*			cis	-162	147	13.8	42.9	0	0	0	0	112.3
1205	A	23.2	Very low	27.2	Very low	25 Å²	25	94.8 Å²	94.8	21%	0.207	59%	0.591	C	S	.	*			trans	65.3	155.7	139	0	0	0	0	0	123	D1864 H1865	A1205-D1864 WeakPolarHBondContact CA-OD2 3.25Å; A1205-H1865 PolarHBondContact O-CD2 3.26Å; A1205-H1865 PolarHBondContact O-NE2 3.48Å
1206	T	25.2	Very low	26.8	Very low	71 Å²	71	96.7 Å²	96.7	44%	0.436	61%	0.608	S	S	.	*			trans	87.8	85.8	164.3	59.9	0	0	0	0	122.4	D1864 H1865	T1206-D1864 VanDerWaalsContact CA-OD1 3.26Å; T1206-D1864 WeakPolarHBondContact CA-OD1 3.4Å; T1206-D1864 PolarHBondContact N-OD1 3.32Å; T1206-D1864 PolarHBondContact N-OD2 2.84Å; T1206-H1865 PolarHBondContact O-CE1 3.32Å; T1206-H1865 PolarHBondContact O-NE2 2.92Å
1207	T	25.5	Very low	26.6	Very low	70 Å²	70	97 Å²	97	43%	0.429	61%	0.613	S	S	.	*				82.7	144.6	121.9	56.3	0	0	0	0	124	H1863 D1864	T1207-H1863 WeakPolarHBondContact CA-O 3.3Å; T1207-H1863 PolarHBondContact N-O 3.47Å; T1207-D1864 PolarHBondContact N-OD1 2.9Å
1208	T	26.6	Very low	26.6	Very low	106 Å²	106	95 Å²	95	65%	0.65	61%	0.607	S	S	*	*			trans	62.7	118.2	154.4	52.6	0	0	0	0	118.7
1209	T	25.6	Very low	26.6	Very low	79 Å²	79	96.3 Å²	96.3	49%	0.485	61%	0.61	S	S	.	*			cis	89	138.7	42.6	66.2	0	0	0	0	115.9
1210	T	27	Very low	26.7	Very low	130 Å²	130	96.5 Å²	96.5	80%	0.798	61%	0.606	S	S	*	*			trans	72.7	143.8	174.5	74.2	0	0	0	0	115.9
1211	T	26.6	Very low	27	Very low	119 Å²	119	92.8 Å²	92.8	73%	0.73	59%	0.586	S	S	*	*			cis	-150.7	145.5	1	-13.9	0	0	0	0	113.9
1212	S	25.4	Very low	27.6	Very low	102 Å²	102	92 Å²	92	71%	0.713	57%	0.571	S	S	*	*			trans	49.1	118.6	146.4	61.3	0	0	0	0	123.2
1213	S	25.6	Very low	28.5	Very low	109 Å²	109	88.4 Å²	88.4	76%	0.762	55%	0.548	S	S	*	.				124.6	136.9	120	76	0	0	0	0	119.5
1214	S	26.7	Very low	29.9	Very low	106 Å²	106	86 Å²	86	74%	0.741	53%	0.529	S	S	*	.			trans	76.6	138.8	163	79.7	0	0	0	0	121
1215	S	29	Very low	31.6	Very low	69 Å²	69	83.6 Å²	83.6	48%	0.483	51%	0.512	S	S	.	.			trans	58.7	105.3	166.8	62.5	0	0	0	0	119.2	K1098 S1217	K1098-S1215 PolarHBondContact NZ-OG 3.12Å; S1215-S1217 PolarHBondContact O-N 3.4Å
1216	S	27.4	Very low	33.3	Very low	120 Å²	120	83.4 Å²	83.4	84%	0.839	51%	0.506	S	S	*	.			trans	-80.9	81.2	163.3	55.8	0	0	0	0	111	S1218	S1216-S1218 PolarHBondContact O-N 2.91Å
1217	S	29.6	Very low	34.9	Very low	88 Å²	88	81.4 Å²	81.4	62%	0.615	49%	0.491	S	S	*	.			trans	-75	119.4	171.8	53	0	0	0	0	110.6	S1215	S1215-S1217 PolarHBondContact O-N 3.4Å
1218	S	29.3	Very low	36.7	Very low	60 Å²	60	78.2 Å²	78.2	42%	0.42	47%	0.471	S	S	.	.			trans	-59.5	135.6	160.7	40	0	0	0	0	108.8	S1216 E1220	S1216-S1218 PolarHBondContact O-N 2.91Å; S1218-E1220 VanDerWaalsContact CB-OE1 3.31Å; S1218-E1220 WeakPolarHBondContact CB-OE1 3.3Å; S1218-E1220 PolarHBondContact O-N 3.04Å; S1218-E1220 PolarHBondContact OG-OE1 3.44Å
1219	N	27.5	Very low	38.4	Very low	130 Å²	130	75.5 Å²	75.5	70%	0.695	45%	0.449	S	S	*	.			trans	-77.1	56.5	172	-88.5	-13.7	0	0	0	110.3	L1221	N1219-L1221 PolarHBondContact O-N 2.98Å; N1219-L1221 VanDerWaalsContact O-N 3.13Å
1220	E	33.2	Very low	40.1	Very low	78 Å²	78	72.1 Å²	72.1	36%	0.364	43%	0.428	S	S	.	.			trans	-66.5	112.4	170.6	-79.7	164.4	-134.7	0	0	108.2	Q701 R1099 S1218 H1222	Q701-E1220 PolarHBondContact NE2-OE1 2.83Å; R1099-E1220 VanDerWaalsContact CZ-O 3.27Å; R1099-E1220 PolarHBondContact NH1-O 3.32Å; R1099-E1220 PolarHBondContact NH2-O 3.01Å; S1218-E1220 VanDerWaalsContact CB-OE1 3.31Å; S1218-E1220 WeakPolarHBondContact CB-OE1 3.3Å; S1218-E1220 PolarHBondContact O-N 3.04Å; S1218-E1220 PolarHBondContact OG-OE1 3.44Å; E1220-H1222 VanDerWaalsContact C-N 3.29Å; E1220-H1222 PolarHBondContact O-N 2.99Å; E1220-H1222 IonicContact OE2-CE1 2.79Å
1221	L	31.6	Very low	41.8	Very low	54 Å²	54	67 Å²	67	28%	0.283	40%	0.396	S	S	.	.			trans	-70.4	88.2	167.4	-96.4	160.9	0	0	0	107.3	T1193 N1219 I1223 I1253 Y1257	T1193-L1221 HydrophobicContact CG2-CD2 3.77Å; T1193-L1221 HydrophobicContact CG2-CG 4.26Å; N1219-L1221 PolarHBondContact O-N 2.98Å; N1219-L1221 VanDerWaalsContact O-N 3.13Å; L1221-I1223 HydrophobicContact CB-CD1 4.43Å; L1221-I1223 HydrophobicContact CB-CG1 4.34Å; L1221-I1223 HydrophobicContact CD2-CD1 4.09Å; L1221-I1223 HydrophobicContact CD2-CG1 4.06Å; L1221-I1223 PolarHBondContact O-N 3.06Å; L1221-I1253 HydrophobicContact CD1-CD1 4.22Å; L1221-I1253 HydrophobicContact CD1-CG2 4.29Å; L1221-Y1257 WeakPolarHBondContact CB-OH 3.34Å; L1221-Y1257 PolarHBondContact O-OH 3.27Å
1222	H	39.1	Very low	43.7	Very low	139 Å²	139	61.3 Å²	61.3	64%	0.644	36%	0.361	S	S	*	.			trans	-72.1	69	167.5	-58.5	-49.7	0	0	0	109.5	E1220 H1224	E1220-H1222 VanDerWaalsContact C-N 3.29Å; E1220-H1222 PolarHBondContact O-N 2.99Å; E1220-H1222 IonicContact OE2-CE1 2.79Å; H1222-H1224 PolarHBondContact O-N 3.39Å
1223	I	45.4	Very low	45.6	Very low	26 Å²	26	59.3 Å²	59.3	13%	0.133	34%	0.338	C	S	.	.			trans	-70.6	98.8	167.2	-70.9	175.4	0	0	0	106.2	L1221 W1225 W1227 I1253 Y1257	L1221-I1223 HydrophobicContact CB-CD1 4.43Å; L1221-I1223 HydrophobicContact CB-CG1 4.34Å; L1221-I1223 HydrophobicContact CD2-CD1 4.09Å; L1221-I1223 HydrophobicContact CD2-CG1 4.06Å; L1221-I1223 PolarHBondContact O-N 3.06Å; I1223-W1225 PolarHBondContact O-N 2.73Å; I1223-W1225 VanDerWaalsContact O-N 3.16Å; I1223-W1227 HydrophobicContact CD1-CE3 4.36Å; I1223-W1227 HydrophobicContact CD1-CH2 3.86Å; I1223-W1227 HydrophobicContact CD1-CZ2 4.31Å; I1223-W1227 HydrophobicContact CD1-CZ3 3.88Å; I1223-W1227 HydrophobicContact CG2-CB 3.88Å; I1223-W1227 HydrophobicContact CG2-CD2 3.63Å; I1223-W1227 HydrophobicContact CG2-CE3 3.36Å; I1223-W1227 HydrophobicContact CG2-CG 3.92Å; I1223-W1227 HydrophobicContact CG2-CZ3 3.95Å; I1223-I1253 HydrophobicContact CD1-CG2 3.25Å; I1223-Y1257 HydrophobicContact CB-CD1 4.45Å; I1223-Y1257 HydrophobicContact CB-CE1 4.39Å; I1223-Y1257 HydrophobicContact CD1-CD2 4.02Å; I1223-Y1257 HydrophobicContact CD1-CE2 3.99Å
1224	H	53.4	Low	47.4	Very low	52 Å²	52	54.6 Å²	54.6	24%	0.241	30%	0.304	C	S	.	.			trans	-55.1	120.5	174.3	-177	-87.3	0	0	0	108.6	H1222 R1226 W1227	H1222-H1224 PolarHBondContact O-N 3.39Å; H1224-R1226 VanDerWaalsContact ND1-CB 3.31Å; H1224-R1226 WeakPolarHBondContact ND1-CB 3.48Å; H1224-R1226 PolarHBondContact O-N 3.26Å; H1224-W1227 WeakPolarHBondContact O-CB 3.49Å; H1224-W1227 PolarHBondContact O-N 2.91Å
1225	W	60.1	Low	49.1	Very low	23 Å²	23	49.6 Å²	49.6	9%	0.087	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43	-36.3	-171.6	64.5	-80.5	0	0	0	114.8	L1055 P1145 L1152 I1223 W1227 L1228 Y1229 L1261	L1055-W1225 HydrophobicContact CB-CH2 4.09Å; L1055-W1225 HydrophobicContact CD1-CH2 3.84Å; L1055-W1225 HydrophobicContact CD1-CZ3 3.67Å; L1055-W1225 HydrophobicContact CD2-CH2 4.1Å; L1055-W1225 HydrophobicContact CD2-CZ3 4.29Å; L1055-W1225 HydrophobicContact CG-CH2 4.21Å; L1055-W1225 HydrophobicContact CG-CZ3 4.44Å; P1145-W1225 HydrophobicContact CG-CD2 4.08Å; P1145-W1225 HydrophobicContact CG-CE3 3.97Å; P1145-W1225 HydrophobicContact CG-CH2 4.25Å; P1145-W1225 HydrophobicContact CG-CZ2 4.37Å; P1145-W1225 HydrophobicContact CG-CZ3 4.04Å; P1145-W1225 PolarHBondContact O-NE1 2.9Å; L1152-W1225 HydrophobicContact CD1-CZ2 4.04Å; I1223-W1225 PolarHBondContact O-N 2.73Å; I1223-W1225 VanDerWaalsContact O-N 3.16Å; W1225-W1227 PolarHBondContact O-N 3.32Å; W1225-W1227 VanDerWaalsContact O-N 3.12Å; W1225-L1228 WeakPolarHBondContact O-CB 3.43Å; W1225-L1228 PolarHBondContact O-N 2.8Å; W1225-Y1229 HydrophobicContact CE3-CD2 4.32Å; W1225-Y1229 HydrophobicContact CE3-CE2 4.5Å; W1225-L1261 HydrophobicContact CB-CD1 3.91Å
1226	R	58.6	Low	50.8	Low	20 Å²	20	46.3 Å²	46.3	8%	0.075	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-29	176.6	-155.5	-179.9	71.5	-126.3	-15.9	113.2	L1055 G1056 D1061 H1224 L1228 Y1229 E1230	L1055-R1226 HydrophobicContact CB-CG 4.11Å; L1055-R1226 HydrophobicContact CD1-CG 3.81Å; G1056-R1226 WeakPolarHBondContact O-CD 3.45Å; G1056-R1226 PolarHBondContact O-NH1 3.42Å; G1056-R1226 VanDerWaalsContact O-NH1 3.09Å; D1061-R1226 VanDerWaalsContact CG-NH2 3.26Å; D1061-R1226 IonicContact OD1-CZ 2.77Å; D1061-R1226 IonicContact OD1-NH1 3.69Å; D1061-R1226 IonicContact OD1-NH2 2.74Å; D1061-R1226 PolarHBondContact OD1-NH2 3.46Å; D1061-R1226 IonicContact OD2-CZ 2.77Å; D1061-R1226 IonicContact OD2-NH1 3.37Å; D1061-R1226 PolarHBondContact OD2-NH1 3.47Å; D1061-R1226 IonicContact OD2-NH2 3.71Å; D1061-R1226 PolarHBondContact OD2-NH2 2.95Å; H1224-R1226 VanDerWaalsContact ND1-CB 3.31Å; H1224-R1226 WeakPolarHBondContact ND1-CB 3.48Å; H1224-R1226 PolarHBondContact O-N 3.26Å; R1226-L1228 PolarHBondContact O-N 3.3Å; R1226-Y1229 PolarHBondContact O-N 2.94Å; R1226-E1230 VanDerWaalsContact CD-CD 3.48Å; R1226-E1230 VanDerWaalsContact CD-OE2 3.29Å; R1226-E1230 WeakPolarHBondContact CD-OE2 3.3Å; R1226-E1230 VanDerWaalsContact CG-CD 3.48Å; R1226-E1230 HydrophobicContact CG-CG 3.86Å; R1226-E1230 WeakPolarHBondContact CG-OE2 3.44Å; R1226-E1230 IonicContact CZ-OE2 2.97Å; R1226-E1230 IonicContact NE-OE1 2.65Å; R1226-E1230 IonicContact NE-OE2 3.22Å; R1226-E1230 PolarHBondContact NE-OE2 2.67Å; R1226-E1230 WeakPolarHBondContact O-CB 3.23Å; R1226-E1230 PolarHBondContact O-N 3.47Å
1227	W	60.5	Low	52.4	Low	30 Å²	30	45.1 Å²	45.1	11%	0.114	23%	0.226	C	C	.	.	H	α-helix	trans	-56	-34.5	172.7	-167.3	93.7	0	0	0	112.6	F1186 I1223 H1224 W1225 Y1229 V1231 W1254	F1186-W1227 AromaticContact CD2-CE2 3.61Å; F1186-W1227 AromaticContact CD2-CZ2 3.87Å; F1186-W1227 HydrophobicContact CD2-CZ2 3.87Å; F1186-W1227 AromaticContact CD2-NE1 3.21Å; F1186-W1227 HydrophobicContact CE2-CD2 4.3Å; F1186-W1227 AromaticContact CE2-CE2 3.35Å; F1186-W1227 HydrophobicContact CE2-CH2 4.03Å; F1186-W1227 AromaticContact CE2-CZ2 3.2Å; F1186-W1227 HydrophobicContact CE2-CZ2 3.2Å; F1186-W1227 AromaticContact CE2-NE1 3.51Å; F1186-W1227 HydrophobicContact CZ-CH2 4.39Å; F1186-W1227 AromaticContact CZ-CZ2 3.73Å; F1186-W1227 HydrophobicContact CZ-CZ2 3.73Å; I1223-W1227 HydrophobicContact CD1-CE3 4.36Å; I1223-W1227 HydrophobicContact CD1-CH2 3.86Å; I1223-W1227 HydrophobicContact CD1-CZ2 4.31Å; I1223-W1227 HydrophobicContact CD1-CZ3 3.88Å; I1223-W1227 HydrophobicContact CG2-CB 3.88Å; I1223-W1227 HydrophobicContact CG2-CD2 3.63Å; I1223-W1227 HydrophobicContact CG2-CE3 3.36Å; I1223-W1227 HydrophobicContact CG2-CG 3.92Å; I1223-W1227 HydrophobicContact CG2-CZ3 3.95Å; H1224-W1227 WeakPolarHBondContact O-CB 3.49Å; H1224-W1227 PolarHBondContact O-N 2.91Å; W1225-W1227 PolarHBondContact O-N 3.32Å; W1225-W1227 VanDerWaalsContact O-N 3.12Å; W1227-Y1229 VanDerWaalsContact C-N 3.31Å; W1227-Y1229 PolarHBondContact O-N 2.97Å; W1227-V1231 HydrophobicContact CG-CG2 4.07Å; W1227-V1231 VanDerWaalsContact O-CB 3.26Å; W1227-V1231 WeakPolarHBondContact O-CB 3.33Å; W1227-V1231 VanDerWaalsContact O-CG2 3.3Å; W1227-V1231 WeakPolarHBondContact O-CG2 3.5Å; W1227-V1231 PolarHBondContact O-N 2.75Å; W1227-W1254 AromaticContact CE3-CD1 3.89Å; W1227-W1254 HydrophobicContact CH2-CB 4.39Å; W1227-W1254 HydrophobicContact CZ3-CB 3.83Å; W1227-W1254 AromaticContact CZ3-CD1 3.76Å; W1227-W1254 HydrophobicContact CZ3-CG 4.21Å
1228	L	61.6	Low	54	Low	2 Å²	2	42.9 Å²	42.9	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-75.1	-20.5	-177.8	-59.8	162.4	0	0	0	113	W1225 R1226 P1232 W1254 K1258 L1261	W1225-L1228 WeakPolarHBondContact O-CB 3.43Å; W1225-L1228 PolarHBondContact O-N 2.8Å; R1226-L1228 PolarHBondContact O-N 3.3Å; L1228-P1232 WeakPolarHBondContact O-CG 3.24Å; L1228-W1254 HydrophobicContact CD2-CG 4.28Å; L1228-W1254 PolarHBondContact O-NE1 2.89Å; L1228-K1258 HydrophobicContact CB-CD 4.23Å; L1228-K1258 HydrophobicContact CD2-CB 4.4Å; L1228-L1261 HydrophobicContact CD1-CD1 3.52Å
1229	Y	62.6	Low	55.5	Low	50 Å²	50	43.8 Å²	43.8	20%	0.196	21%	0.207	C	C	.	.	H	α-helix	trans	-113.4	-33.3	-175.9	-64.1	-89.4	0	0	0	113.5	W1225 R1226 W1227 K1258 L1261 E1278	W1225-Y1229 HydrophobicContact CE3-CD2 4.32Å; W1225-Y1229 HydrophobicContact CE3-CE2 4.5Å; R1226-Y1229 PolarHBondContact O-N 2.94Å; W1227-Y1229 VanDerWaalsContact C-N 3.31Å; W1227-Y1229 PolarHBondContact O-N 2.97Å; Y1229-K1258 VanDerWaalsContact CD1-NZ 3.28Å; Y1229-L1261 HydrophobicContact CE2-CD1 4.23Å; Y1229-E1278 WeakPolarHBondContact CD1-OE1 3.29Å
1230	E	61.9	Low	57.3	Low	8 Å²	8	40.3 Å²	40.3	4%	0.037	19%	0.188	C	C	.	.	H	α-helix	trans	-85.4	-35.5	178.5	-73.6	-173.2	161.2	0	0	113.3	S1053 R1054 L1055 R1226 Y1233 H1234	S1053-E1230 WeakPolarHBondContact CA-OE1 3.44Å; R1054-E1230 HydrophobicContact CB-CG 4.18Å; R1054-E1230 PolarHBondContact N-OE1 2.91Å; L1055-E1230 PolarHBondContact N-OE1 3.32Å; R1226-E1230 VanDerWaalsContact CD-CD 3.48Å; R1226-E1230 VanDerWaalsContact CD-OE2 3.29Å; R1226-E1230 WeakPolarHBondContact CD-OE2 3.3Å; R1226-E1230 VanDerWaalsContact CG-CD 3.48Å; R1226-E1230 HydrophobicContact CG-CG 3.86Å; R1226-E1230 WeakPolarHBondContact CG-OE2 3.44Å; R1226-E1230 IonicContact CZ-OE2 2.97Å; R1226-E1230 IonicContact NE-OE1 2.65Å; R1226-E1230 IonicContact NE-OE2 3.22Å; R1226-E1230 PolarHBondContact NE-OE2 2.67Å; R1226-E1230 WeakPolarHBondContact O-CB 3.23Å; R1226-E1230 PolarHBondContact O-N 3.47Å; E1230-Y1233 PolarHBondContact O-N 3.46Å; E1230-H1234 PolarHBondContact O-CD2 2.82Å; E1230-H1234 PolarHBondContact O-N 3.25Å
1231	V	63	Low	58.7	Low	21 Å²	21	38 Å²	38	13%	0.127	18%	0.178	C	C	.	.	H	α-helix	trans	-66.5	-44.2	-177.3	177.3	0	0	0	0	113	F1186 W1227 Y1233 H1234 L1235	F1186-V1231 HydrophobicContact CD2-CG1 3.89Å; F1186-V1231 HydrophobicContact CD2-CG2 4Å; F1186-V1231 HydrophobicContact CE2-CG1 3.86Å; F1186-V1231 HydrophobicContact CE2-CG2 4.48Å; W1227-V1231 HydrophobicContact CG-CG2 4.07Å; W1227-V1231 VanDerWaalsContact O-CB 3.26Å; W1227-V1231 WeakPolarHBondContact O-CB 3.33Å; W1227-V1231 VanDerWaalsContact O-CG2 3.3Å; W1227-V1231 WeakPolarHBondContact O-CG2 3.5Å; W1227-V1231 PolarHBondContact O-N 2.75Å; V1231-Y1233 VanDerWaalsContact C-N 3.34Å; V1231-Y1233 PolarHBondContact O-N 2.87Å; V1231-H1234 PolarHBondContact O-N 3.27Å; V1231-L1235 HydrophobicContact CG1-CD1 3.72Å; V1231-L1235 HydrophobicContact CG1-CG 4.29Å; V1231-L1235 WeakPolarHBondContact O-CB 3.46Å; V1231-L1235 WeakPolarHBondContact O-CG 3.4Å; V1231-L1235 PolarHBondContact O-N 3.09Å
1232	P	65.2	Low	60.3	Low	1 Å²	1	43.6 Å²	43.6	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-43.5	174.7	-19.9	30.8	0	0	0	112	L1228 H1234 L1235 S1236 W1254 C1282	L1228-P1232 WeakPolarHBondContact O-CG 3.24Å; P1232-H1234 PolarHBondContact O-N 2.93Å; P1232-L1235 PolarHBondContact O-N 2.9Å; P1232-S1236 WeakPolarHBondContact O-CB 3.35Å; P1232-S1236 PolarHBondContact O-N 3.37Å; P1232-S1236 PolarHBondContact O-OG 3.01Å; P1232-W1254 HydrophobicContact CG-CZ2 3.57Å; P1232-C1282 VanDerWaalsContact CB-SG 3.55Å
1233	Y	65.5	Low	61.5	Low	59 Å²	59	40.7 Å²	40.7	23%	0.231	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-42.1	177.7	172.9	-104.5	0	0	0	112.9	E1230 V1231 S1236 K1237 Y1285	E1230-Y1233 PolarHBondContact O-N 3.46Å; V1231-Y1233 VanDerWaalsContact C-N 3.34Å; V1231-Y1233 PolarHBondContact O-N 2.87Å; Y1233-S1236 PolarHBondContact O-OG 3.1Å; Y1233-K1237 HydrophobicContact CE1-CD 4.42Å; Y1233-K1237 WeakPolarHBondContact O-CB 3.45Å; Y1233-K1237 PolarHBondContact O-N 3.29Å; Y1233-Y1285 HydrophobicContact CD2-CE2 4.43Å; Y1233-Y1285 HydrophobicContact CE2-CE1 4.47Å
1234	H	63.6	Low	62.5	Low	11 Å²	11	39.4 Å²	39.4	5%	0.051	18%	0.179	C	C	.	.	H	α-helix	trans	-74.7	-29.7	176.4	-65.4	-41.8	0	0	0	113	L1052 H1179 Q1182 E1230 V1231 P1232 L1238	L1052-H1234 PolarHBondContact O-CE1 3.35Å; L1052-H1234 VanDerWaalsContact O-CE1 3.32Å; H1179-H1234 AromaticContact CE1-CE1 3.95Å; H1179-H1234 AromaticContact CE1-ND1 3.37Å; H1179-H1234 PolarHBondContact CE1-ND1 3.19Å; H1179-H1234 AromaticContact ND1-CG 3.82Å; H1179-H1234 AromaticContact ND1-ND1 3.51Å; Q1182-H1234 PolarHBondContact NE2-CD2 3.45Å; Q1182-H1234 PolarHBondContact NE2-NE2 3.08Å; Q1182-H1234 PolarHBondContact OE1-CD2 2.82Å; Q1182-H1234 PolarHBondContact OE1-NE2 3.04Å; E1230-H1234 PolarHBondContact O-CD2 2.82Å; E1230-H1234 PolarHBondContact O-N 3.25Å; V1231-H1234 PolarHBondContact O-N 3.27Å; P1232-H1234 PolarHBondContact O-N 2.93Å; H1234-L1238 WeakPolarHBondContact O-CB 3.36Å; H1234-L1238 VanDerWaalsContact O-CG 3.28Å; H1234-L1238 WeakPolarHBondContact O-CG 3.38Å; H1234-L1238 PolarHBondContact O-N 2.8Å
1235	L	63.6	Low	63	Low	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-73.4	-37.6	174.7	-80.5	172.7	0	0	0	112.9	L1183 V1231 P1232 L1238 N1240 K1243 L1244 F1247	L1183-L1235 HydrophobicContact CD1-CD2 4.22Å; L1183-L1235 HydrophobicContact CD2-CD2 3.68Å; L1183-L1235 HydrophobicContact CD2-CG 4.21Å; V1231-L1235 HydrophobicContact CG1-CD1 3.72Å; V1231-L1235 HydrophobicContact CG1-CG 4.29Å; V1231-L1235 WeakPolarHBondContact O-CB 3.46Å; V1231-L1235 WeakPolarHBondContact O-CG 3.4Å; V1231-L1235 PolarHBondContact O-N 3.09Å; P1232-L1235 PolarHBondContact O-N 2.9Å; L1235-L1238 PolarHBondContact O-N 3.44Å; L1235-N1240 HydrophobicContact CD2-CB 4.41Å; L1235-N1240 PolarHBondContact O-N 3.48Å; L1235-N1240 VanDerWaalsContact O-N 3.1Å; L1235-K1243 HydrophobicContact CD2-CB 3.51Å; L1235-K1243 HydrophobicContact CD2-CD 4.29Å; L1235-L1244 HydrophobicContact CB-CB 4.26Å; L1235-L1244 HydrophobicContact CB-CD1 3.71Å; L1235-F1247 HydrophobicContact CD1-CB 4.2Å
1236	S	64.1	Low	63.1	Low	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-72.7	-42.8	174.7	69.3	0	0	0	0	111.6	P1232 Y1233 L1238 N1239	P1232-S1236 WeakPolarHBondContact O-CB 3.35Å; P1232-S1236 PolarHBondContact O-N 3.37Å; P1232-S1236 PolarHBondContact O-OG 3.01Å; Y1233-S1236 PolarHBondContact O-OG 3.1Å; S1236-L1238 PolarHBondContact O-N 2.85Å; S1236-L1238 VanDerWaalsContact O-N 3.14Å; S1236-N1239 PolarHBondContact O-N 2.95Å; S1236-N1239 PolarHBondContact O-OD1 3.48Å
1237	K	61.8	Low	63.3	Low	96 Å²	96	42.5 Å²	42.5	42%	0.417	20%	0.198	S	C	.	.	H	α-helix	trans	-62.7	-18.1	172.9	-168.1	170.7	-174	174.1	0	113.6	Y1233	Y1233-K1237 HydrophobicContact CE1-CD 4.42Å; Y1233-K1237 WeakPolarHBondContact O-CB 3.45Å; Y1233-K1237 PolarHBondContact O-N 3.29Å
1238	L	61.3	Low	63.5	Low	40 Å²	40	41.1 Å²	41.1	21%	0.209	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	1.4	170.9	-82.7	179.5	0	0	0	114.4	L1176 H1179 L1183 H1234 L1235 S1236 N1240	L1176-L1238 HydrophobicContact CD2-CD2 4.26Å; H1179-L1238 HydrophobicContact CB-CD1 3.63Å; H1179-L1238 HydrophobicContact CB-CD2 3.97Å; H1179-L1238 HydrophobicContact CB-CG 3.87Å; L1183-L1238 HydrophobicContact CD1-CD1 3.52Å; H1234-L1238 WeakPolarHBondContact O-CB 3.36Å; H1234-L1238 VanDerWaalsContact O-CG 3.28Å; H1234-L1238 WeakPolarHBondContact O-CG 3.38Å; H1234-L1238 PolarHBondContact O-N 2.8Å; L1235-L1238 PolarHBondContact O-N 3.44Å; S1236-L1238 PolarHBondContact O-N 2.85Å; S1236-L1238 VanDerWaalsContact O-N 3.14Å; L1238-N1240 HydrophobicContact CB-CB 4.15Å; L1238-N1240 PolarHBondContact O-N 2.96Å; L1238-N1240 VanDerWaalsContact O-N 3.07Å
1239	N	62.1	Low	63.7	Low	80 Å²	80	41.4 Å²	41.4	43%	0.428	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	26.8	-170.7	-68.6	-8.7	0	0	0	113.8	S1236 I1241	S1236-N1239 PolarHBondContact O-N 2.95Å; S1236-N1239 PolarHBondContact O-OD1 3.48Å; N1239-I1241 VanDerWaalsContact C-N 3.31Å; N1239-I1241 PolarHBondContact O-N 3.39Å; N1239-I1241 VanDerWaalsContact O-N 3.09Å
1240	N	64.1	Low	63.5	Low	56 Å²	56	43.3 Å²	43.3	30%	0.299	20%	0.204	S	C	.	.			trans	-94.2	60.2	-168.6	-149.1	-52.8	0	0	0	111.3	L1235 L1238 K1242 K1243 L1244	L1235-N1240 HydrophobicContact CD2-CB 4.41Å; L1235-N1240 PolarHBondContact O-N 3.48Å; L1235-N1240 VanDerWaalsContact O-N 3.1Å; L1238-N1240 HydrophobicContact CB-CB 4.15Å; L1238-N1240 PolarHBondContact O-N 2.96Å; L1238-N1240 VanDerWaalsContact O-N 3.07Å; N1240-K1242 PolarHBondContact O-N 3.29Å; N1240-K1242 VanDerWaalsContact O-N 3.12Å; N1240-K1243 HydrophobicContact CB-CB 4.26Å; N1240-K1243 CarbonylContact O-C 3.55Å; N1240-K1243 WeakPolarHBondContact O-CA 3.31Å; N1240-K1243 WeakPolarHBondContact O-CB 3.43Å; N1240-K1243 PolarHBondContact O-N 2.98Å; N1240-K1243 WeakPolarHBondContact OD1-CB 3.47Å; N1240-K1243 VanDerWaalsContact OD1-CG 3.29Å; N1240-K1243 WeakPolarHBondContact OD1-CG 3.37Å; N1240-L1244 PolarHBondContact O-N 2.92Å
1241	I	64.2	Low	63.4	Low	29 Å²	29	43.4 Å²	43.4	15%	0.149	21%	0.205	C	C	.	.	H	α-helix	trans	-51.7	-40.1	-171.1	-60	174.3	0	0	0	112.2	N1239 K1243 L1244 K1245 N1286 Y1321	N1239-I1241 VanDerWaalsContact C-N 3.31Å; N1239-I1241 PolarHBondContact O-N 3.39Å; N1239-I1241 VanDerWaalsContact O-N 3.09Å; I1241-K1243 VanDerWaalsContact C-N 3.34Å; I1241-K1243 PolarHBondContact O-N 3Å; I1241-L1244 PolarHBondContact O-N 3.37Å; I1241-K1245 HydrophobicContact CG2-CD 4.39Å; I1241-K1245 HydrophobicContact CG2-CG 4.36Å; I1241-K1245 WeakPolarHBondContact O-CB 3.5Å; I1241-K1245 WeakPolarHBondContact O-CG 3.21Å; I1241-K1245 PolarHBondContact O-N 2.89Å; I1241-N1286 HydrophobicContact CD1-CB 4.12Å; I1241-N1286 HydrophobicContact CG1-CB 4.47Å; I1241-N1286 WeakPolarHBondContact CG1-OD1 3.43Å; I1241-Y1321 WeakPolarHBondContact CD1-OH 3.13Å; I1241-Y1321 HydrophobicContact CG2-CE1 4.36Å
1242	K	63.9	Low	63.1	Low	173 Å²	173	46.6 Å²	46.6	75%	0.752	22%	0.217	S	C	*	.	H	α-helix	trans	-63.4	-35.6	176.6	-67.8	-170.9	176.9	-174.1	0	113	N1240 N1246	N1240-K1242 PolarHBondContact O-N 3.29Å; N1240-K1242 VanDerWaalsContact O-N 3.12Å; K1242-N1246 WeakPolarHBondContact O-CB 3.37Å; K1242-N1246 PolarHBondContact O-N 2.94Å; K1242-N1246 VanDerWaalsContact O-N 3.08Å; K1242-N1246 PolarHBondContact O-OD1 2.88Å
1243	K	64.6	Low	62.6	Low	77 Å²	77	47.3 Å²	47.3	34%	0.335	22%	0.221	S	C	.	.	H	α-helix	trans	-76.7	-38.9	172.9	-74.5	-174.5	-179.3	-175.1	0	112.2	L1183 L1235 N1240 I1241 K1245 N1246 F1247	L1183-K1243 HydrophobicContact CD1-CD 4.48Å; L1235-K1243 HydrophobicContact CD2-CB 3.51Å; L1235-K1243 HydrophobicContact CD2-CD 4.29Å; N1240-K1243 HydrophobicContact CB-CB 4.26Å; N1240-K1243 CarbonylContact O-C 3.55Å; N1240-K1243 WeakPolarHBondContact O-CA 3.31Å; N1240-K1243 WeakPolarHBondContact O-CB 3.43Å; N1240-K1243 PolarHBondContact O-N 2.98Å; N1240-K1243 WeakPolarHBondContact OD1-CB 3.47Å; N1240-K1243 VanDerWaalsContact OD1-CG 3.29Å; N1240-K1243 WeakPolarHBondContact OD1-CG 3.37Å; I1241-K1243 VanDerWaalsContact C-N 3.34Å; I1241-K1243 PolarHBondContact O-N 3Å; K1243-K1245 VanDerWaalsContact C-N 3.34Å; K1243-K1245 PolarHBondContact O-N 3.39Å; K1243-N1246 PolarHBondContact O-N 3.3Å; K1243-F1247 HydrophobicContact CB-CD2 3.86Å; K1243-F1247 HydrophobicContact CB-CE2 4.1Å; K1243-F1247 HydrophobicContact CD-CE2 4.08Å; K1243-F1247 HydrophobicContact CG-CD2 4.14Å; K1243-F1247 HydrophobicContact CG-CE2 3.85Å; K1243-F1247 VanDerWaalsContact O-CB 3.25Å; K1243-F1247 WeakPolarHBondContact O-CB 3.23Å; K1243-F1247 WeakPolarHBondContact O-CD2 3.47Å; K1243-F1247 PolarHBondContact O-N 2.8Å
1244	L	66	Low	62.7	Low	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.8	-47.9	173.1	-171.6	90.4	0	0	0	111	L1235 N1240 I1241 C1248 F1249 C1282	L1235-L1244 HydrophobicContact CB-CB 4.26Å; L1235-L1244 HydrophobicContact CB-CD1 3.71Å; N1240-L1244 PolarHBondContact O-N 2.92Å; I1241-L1244 PolarHBondContact O-N 3.37Å; L1244-C1248 WeakPolarHBondContact O-CB 3.36Å; L1244-C1248 PolarHBondContact O-N 3.48Å; L1244-F1249 HydrophobicContact CD2-CD2 4.39Å; L1244-F1249 HydrophobicContact CD2-CE1 4.29Å; L1244-F1249 HydrophobicContact CD2-CE2 3.62Å; L1244-F1249 HydrophobicContact CD2-CZ 3.57Å; L1244-F1249 HydrophobicContact CG-CE1 4.31Å; L1244-F1249 HydrophobicContact CG-CE2 4.27Å; L1244-F1249 HydrophobicContact CG-CZ 4.07Å; L1244-F1249 PolarHBondContact O-N 2.94Å; L1244-C1282 HydrophobicContact CD1-CB 4.36Å; L1244-C1282 HydrophobicContact CD2-CB 4.32Å
1245	K	64.2	Low	62.6	Low	16 Å²	16	46.7 Å²	46.7	7%	0.07	22%	0.221	C	C	.	.	I	π-helix	trans	-54.5	-61.6	170.9	-79.3	-171.6	169.4	-170.4	0	111	I1241 K1243 F1247 F1249 F1250 D1323	I1241-K1245 HydrophobicContact CG2-CD 4.39Å; I1241-K1245 HydrophobicContact CG2-CG 4.36Å; I1241-K1245 WeakPolarHBondContact O-CB 3.5Å; I1241-K1245 WeakPolarHBondContact O-CG 3.21Å; I1241-K1245 PolarHBondContact O-N 2.89Å; K1243-K1245 VanDerWaalsContact C-N 3.34Å; K1243-K1245 PolarHBondContact O-N 3.39Å; K1245-F1247 PolarHBondContact O-N 3.28Å; K1245-F1249 PolarHBondContact O-N 3.43Å; K1245-F1250 HydrophobicContact CB-CD2 3.8Å; K1245-F1250 HydrophobicContact CB-CE2 3.83Å; K1245-F1250 HydrophobicContact CD-CE2 4Å; K1245-F1250 HydrophobicContact CG-CD2 4.32Å; K1245-F1250 HydrophobicContact CG-CE2 3.82Å; K1245-F1250 WeakPolarHBondContact O-CD2 3.43Å; K1245-F1250 PolarHBondContact O-N 3.25Å; K1245-D1323 IonicContact NZ-OD2 2.6Å; K1245-D1323 PolarHBondContact NZ-OD2 3.35Å
1246	N	61.8	Low	62.2	Low	108 Å²	108	47.3 Å²	47.3	58%	0.578	22%	0.224	S	C	*	.	I	π-helix	trans	-72.1	-25.8	-170.1	-67	18.1	0	0	0	114.9	K1242 K1243	K1242-N1246 WeakPolarHBondContact O-CB 3.37Å; K1242-N1246 PolarHBondContact O-N 2.94Å; K1242-N1246 VanDerWaalsContact O-N 3.08Å; K1242-N1246 PolarHBondContact O-OD1 2.88Å; K1243-N1246 PolarHBondContact O-N 3.3Å
1247	F	62.9	Low	61.9	Low	36 Å²	36	50.4 Å²	50.4	16%	0.158	24%	0.236	C	C	.	.	I	π-helix	trans	-106.3	-18.1	-175.1	-66.1	-44.1	0	0	0	114.9	F1186 Y1187 L1235 K1243 K1245 N1251	F1186-F1247 HydrophobicContact CE1-CB 4.03Å; F1186-F1247 AromaticContact CE1-CD1 3.44Å; F1186-F1247 HydrophobicContact CE1-CD1 3.44Å; F1186-F1247 VanDerWaalsContact CE1-CD1 3.44Å; F1186-F1247 HydrophobicContact CE1-CD2 4.04Å; F1186-F1247 AromaticContact CE1-CE1 3.79Å; F1186-F1247 HydrophobicContact CE1-CE1 3.79Å; F1186-F1247 HydrophobicContact CE1-CE2 4.35Å; F1186-F1247 AromaticContact CE1-CG 3.58Å; F1186-F1247 HydrophobicContact CE1-CG 3.58Å; F1186-F1247 HydrophobicContact CE1-CZ 4.23Å; F1186-F1247 HydrophobicContact CE2-CB 4.41Å; F1186-F1247 HydrophobicContact CZ-CB 3.6Å; F1186-F1247 AromaticContact CZ-CD1 3.77Å; F1186-F1247 HydrophobicContact CZ-CD1 3.77Å; F1186-F1247 HydrophobicContact CZ-CD2 4.45Å; F1186-F1247 AromaticContact CZ-CG 3.71Å; F1186-F1247 HydrophobicContact CZ-CG 3.71Å; Y1187-F1247 HydrophobicContact CD2-CZ 4.29Å; L1235-F1247 HydrophobicContact CD1-CB 4.2Å; K1243-F1247 HydrophobicContact CB-CD2 3.86Å; K1243-F1247 HydrophobicContact CB-CE2 4.1Å; K1243-F1247 HydrophobicContact CD-CE2 4.08Å; K1243-F1247 HydrophobicContact CG-CD2 4.14Å; K1243-F1247 HydrophobicContact CG-CE2 3.85Å; K1243-F1247 VanDerWaalsContact O-CB 3.25Å; K1243-F1247 WeakPolarHBondContact O-CB 3.23Å; K1243-F1247 WeakPolarHBondContact O-CD2 3.47Å; K1243-F1247 PolarHBondContact O-N 2.8Å; K1245-F1247 PolarHBondContact O-N 3.28Å; F1247-N1251 VanDerWaalsContact C-CB 3.42Å; F1247-N1251 WeakPolarHBondContact O-CB 3.47Å; F1247-N1251 PolarHBondContact O-ND2 3.43Å
1248	C	64.8	Low	61.9	Low	0 Å²	0	46 Å²	46	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-116.7	-67.7	173.7	-60.7	0	0	0	0	110.7	L1244 F1250 N1251 W1254	L1244-C1248 WeakPolarHBondContact O-CB 3.36Å; L1244-C1248 PolarHBondContact O-N 3.48Å; C1248-F1250 PolarHBondContact O-N 2.74Å; C1248-N1251 PolarHBondContact O-N 3.13Å; C1248-W1254 HydrophobicContact CB-CD2 3.73Å; C1248-W1254 HydrophobicContact CB-CE3 3.97Å; C1248-W1254 HydrophobicContact CB-CG 4.04Å; C1248-W1254 HydrophobicContact CB-CZ3 4.45Å; C1248-W1254 VanDerWaalsContact O-CE3 3.28Å
1249	F	65.8	Low	61.8	Low	9 Å²	9	45.7 Å²	45.7	4%	0.039	22%	0.216	C	C	.	.	I	π-helix	trans	-69.3	-41.1	-164.8	-60.9	-10	0	0	0	114.4	L1244 K1245 F1279 C1282 L1283 I1327	L1244-F1249 HydrophobicContact CD2-CD2 4.39Å; L1244-F1249 HydrophobicContact CD2-CE1 4.29Å; L1244-F1249 HydrophobicContact CD2-CE2 3.62Å; L1244-F1249 HydrophobicContact CD2-CZ 3.57Å; L1244-F1249 HydrophobicContact CG-CE1 4.31Å; L1244-F1249 HydrophobicContact CG-CE2 4.27Å; L1244-F1249 HydrophobicContact CG-CZ 4.07Å; L1244-F1249 PolarHBondContact O-N 2.94Å; K1245-F1249 PolarHBondContact O-N 3.43Å; F1249-F1279 HydrophobicContact CB-CE1 3.92Å; F1249-F1279 AromaticContact CD1-CD1 3.52Å; F1249-F1279 HydrophobicContact CD1-CD1 3.52Å; F1249-F1279 AromaticContact CD1-CE1 3.31Å; F1249-F1279 HydrophobicContact CD1-CE1 3.31Å; F1249-F1279 HydrophobicContact CD1-CZ 4.4Å; F1249-F1279 HydrophobicContact CD2-CD1 4.07Å; F1249-F1279 HydrophobicContact CD2-CE1 4.15Å; F1249-F1279 AromaticContact CE1-CD1 3.42Å; F1249-F1279 HydrophobicContact CE1-CD1 3.42Å; F1249-F1279 VanDerWaalsContact CE1-CD1 3.42Å; F1249-F1279 AromaticContact CE1-CE1 3.74Å; F1249-F1279 HydrophobicContact CE1-CE1 3.74Å; F1249-F1279 HydrophobicContact CE1-CG 4.39Å; F1249-F1279 AromaticContact CE2-CD1 3.97Å; F1249-F1279 HydrophobicContact CE2-CD1 3.97Å; F1249-F1279 HydrophobicContact CE2-CE1 4.49Å; F1249-F1279 AromaticContact CG-CD1 3.86Å; F1249-F1279 HydrophobicContact CG-CD1 3.86Å; F1249-F1279 AromaticContact CG-CE1 3.55Å; F1249-F1279 HydrophobicContact CG-CE1 3.55Å; F1249-F1279 AromaticContact CZ-CD1 3.64Å; F1249-F1279 HydrophobicContact CZ-CD1 3.64Å; F1249-F1279 HydrophobicContact CZ-CE1 4.3Å; F1249-C1282 HydrophobicContact CE1-CB 4.2Å; F1249-C1282 HydrophobicContact CZ-CB 3.81Å; F1249-L1283 HydrophobicContact CE2-CD2 4.19Å; F1249-L1283 HydrophobicContact CE2-CG 4.27Å; F1249-I1327 HydrophobicContact CB-CD1 4.31Å
1250	F	60	Low	61.4	Low	90 Å²	90	43.7 Å²	43.7	40%	0.395	20%	0.204	S	C	.	.	S	Bend	trans	-96.4	-1.7	174.6	-60.5	-68.7	0	0	0	113.2	K1245 C1248 F1252 D1323 I1327	K1245-F1250 HydrophobicContact CB-CD2 3.8Å; K1245-F1250 HydrophobicContact CB-CE2 3.83Å; K1245-F1250 HydrophobicContact CD-CE2 4Å; K1245-F1250 HydrophobicContact CG-CD2 4.32Å; K1245-F1250 HydrophobicContact CG-CE2 3.82Å; K1245-F1250 WeakPolarHBondContact O-CD2 3.43Å; K1245-F1250 PolarHBondContact O-N 3.25Å; C1248-F1250 PolarHBondContact O-N 2.74Å; F1250-F1252 PolarHBondContact O-N 3.17Å; F1250-D1323 HydrophobicContact CE1-CB 4Å; F1250-D1323 HydrophobicContact CE2-CB 3.91Å; F1250-D1323 HydrophobicContact CZ-CB 3.28Å; F1250-I1327 HydrophobicContact CD1-CD1 4.17Å; F1250-I1327 HydrophobicContact CE1-CD1 3.42Å; F1250-I1327 VanDerWaalsContact CE1-CD1 3.42Å; F1250-I1327 HydrophobicContact CE1-CG1 3.92Å; F1250-I1327 HydrophobicContact CE2-CD1 4.46Å; F1250-I1327 HydrophobicContact CZ-CD1 3.54Å; F1250-I1327 HydrophobicContact CZ-CG1 4.32Å
1251	N	59.4	Low	60.8	Low	10 Å²	10	43 Å²	43	5%	0.053	20%	0.199	C	C	.	.			trans	-83.5	99.1	175.9	179.3	10	0	0	0	109	F1247 C1248 I1253 W1254 L1255	F1247-N1251 VanDerWaalsContact C-CB 3.42Å; F1247-N1251 WeakPolarHBondContact O-CB 3.47Å; F1247-N1251 PolarHBondContact O-ND2 3.43Å; C1248-N1251 PolarHBondContact O-N 3.13Å; N1251-I1253 PolarHBondContact O-N 3.04Å; N1251-I1253 VanDerWaalsContact OD1-CB 3.27Å; N1251-I1253 WeakPolarHBondContact OD1-CB 3.42Å; N1251-I1253 WeakPolarHBondContact OD1-CG1 3.42Å; N1251-I1253 PolarHBondContact OD1-N 2.98Å; N1251-I1253 VanDerWaalsContact OD1-N 3.11Å; N1251-W1254 HydrophobicContact CB-CB 4.16Å; N1251-W1254 PolarHBondContact O-N 3.43Å; N1251-L1255 PolarHBondContact O-N 3.48Å
1252	F	56.8	Low	60.3	Low	87 Å²	87	42.1 Å²	42.1	38%	0.382	20%	0.195	S	C	.	.	H	α-helix	trans	-49.3	-32	176.9	83.4	-87.2	0	0	0	112.6	F1250 N1256 S1426	F1250-F1252 PolarHBondContact O-N 3.17Å; F1252-N1256 WeakPolarHBondContact O-CB 3.23Å; F1252-N1256 PolarHBondContact O-N 3.47Å; F1252-S1426 VanDerWaalsContact CD1-CB 3.49Å; F1252-S1426 VanDerWaalsContact CE2-OG 3.23Å; F1252-S1426 WeakPolarHBondContact CE2-OG 3.2Å; F1252-S1426 VanDerWaalsContact CZ-CB 3.42Å; F1252-S1426 WeakPolarHBondContact CZ-OG 3.42Å
1253	I	54.3	Low	59.5	Low	17 Å²	17	35.9 Å²	35.9	9%	0.087	17%	0.17	C	C	.	.	H	α-helix	trans	-66.6	-51.2	178.7	-49.6	175.7	0	0	0	109.8	L1221 I1223 N1251 L1255 N1256 Y1257	L1221-I1253 HydrophobicContact CD1-CD1 4.22Å; L1221-I1253 HydrophobicContact CD1-CG2 4.29Å; I1223-I1253 HydrophobicContact CD1-CG2 3.25Å; N1251-I1253 PolarHBondContact O-N 3.04Å; N1251-I1253 VanDerWaalsContact OD1-CB 3.27Å; N1251-I1253 WeakPolarHBondContact OD1-CB 3.42Å; N1251-I1253 WeakPolarHBondContact OD1-CG1 3.42Å; N1251-I1253 PolarHBondContact OD1-N 2.98Å; N1251-I1253 VanDerWaalsContact OD1-N 3.11Å; I1253-L1255 PolarHBondContact O-N 3.16Å; I1253-N1256 PolarHBondContact O-N 3.39Å; I1253-Y1257 HydrophobicContact CG2-CD2 3.68Å; I1253-Y1257 HydrophobicContact CG2-CE2 3.8Å; I1253-Y1257 WeakPolarHBondContact O-CB 3.15Å; I1253-Y1257 VanDerWaalsContact O-CD2 3.29Å; I1253-Y1257 WeakPolarHBondContact O-CD2 3.29Å; I1253-Y1257 PolarHBondContact O-N 3.29Å
1254	W	66.3	Low	58.5	Low	6 Å²	6	38.7 Å²	38.7	2%	0.023	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-45.7	177.8	-177.4	93.7	0	0	0	110.9	W1227 L1228 P1232 C1248 N1251 K1258	W1227-W1254 AromaticContact CE3-CD1 3.89Å; W1227-W1254 HydrophobicContact CH2-CB 4.39Å; W1227-W1254 HydrophobicContact CZ3-CB 3.83Å; W1227-W1254 AromaticContact CZ3-CD1 3.76Å; W1227-W1254 HydrophobicContact CZ3-CG 4.21Å; L1228-W1254 HydrophobicContact CD2-CG 4.28Å; L1228-W1254 PolarHBondContact O-NE1 2.89Å; P1232-W1254 HydrophobicContact CG-CZ2 3.57Å; C1248-W1254 HydrophobicContact CB-CD2 3.73Å; C1248-W1254 HydrophobicContact CB-CE3 3.97Å; C1248-W1254 HydrophobicContact CB-CG 4.04Å; C1248-W1254 HydrophobicContact CB-CZ3 4.45Å; C1248-W1254 VanDerWaalsContact O-CE3 3.28Å; N1251-W1254 HydrophobicContact CB-CB 4.16Å; N1251-W1254 PolarHBondContact O-N 3.43Å; W1254-K1258 HydrophobicContact CE3-CB 4.45Å; W1254-K1258 HydrophobicContact CH2-CB 4.36Å; W1254-K1258 HydrophobicContact CH2-CD 4.26Å; W1254-K1258 HydrophobicContact CH2-CG 3.98Å; W1254-K1258 HydrophobicContact CZ2-CB 4.44Å; W1254-K1258 HydrophobicContact CZ2-CD 3.98Å; W1254-K1258 HydrophobicContact CZ2-CG 4.15Å; W1254-K1258 HydrophobicContact CZ3-CB 4.37Å; W1254-K1258 HydrophobicContact CZ3-CG 4.38Å; W1254-K1258 WeakPolarHBondContact O-CB 3.43Å; W1254-K1258 PolarHBondContact O-N 2.87Å
1255	L	61.5	Low	57.6	Low	51 Å²	51	41.6 Å²	41.6	27%	0.267	20%	0.2	S	C	.	.	H	α-helix	trans	-61.8	-47.7	179.2	-165.8	78.8	0	0	0	111.9	N1251 I1253 K1258 L1259 F1279	N1251-L1255 PolarHBondContact O-N 3.48Å; I1253-L1255 PolarHBondContact O-N 3.16Å; L1255-K1258 PolarHBondContact O-N 2.97Å; L1255-L1259 HydrophobicContact CD2-CD1 4.34Å; L1255-L1259 HydrophobicContact CG-CD1 4Å; L1255-L1259 VanDerWaalsContact O-CB 3.32Å; L1255-L1259 WeakPolarHBondContact O-CB 3.47Å; L1255-L1259 VanDerWaalsContact O-CG 3.3Å; L1255-L1259 WeakPolarHBondContact O-CG 3.14Å; L1255-L1259 PolarHBondContact O-N 3.31Å; L1255-F1279 HydrophobicContact CD1-CE2 4.3Å; L1255-F1279 HydrophobicContact CD1-CZ 3.81Å
1256	N	56.8	Low	56.4	Low	12 Å²	12	44.3 Å²	44.3	6%	0.064	22%	0.215	C	C	.	.	H	α-helix	trans	-65	-47.2	179.2	172.1	69.6	0	0	0	111.9	F1252 I1253 K1258 L1259 Q1260	F1252-N1256 WeakPolarHBondContact O-CB 3.23Å; F1252-N1256 PolarHBondContact O-N 3.47Å; I1253-N1256 PolarHBondContact O-N 3.39Å; N1256-K1258 VanDerWaalsContact C-N 3.3Å; N1256-K1258 PolarHBondContact O-N 2.89Å; N1256-L1259 PolarHBondContact O-N 3.36Å; N1256-Q1260 PolarHBondContact ND2-NE2 3.14Å; N1256-Q1260 VanDerWaalsContact O-CB 3.32Å; N1256-Q1260 WeakPolarHBondContact O-CB 3.24Å; N1256-Q1260 WeakPolarHBondContact O-CG 3.33Å; N1256-Q1260 PolarHBondContact O-N 2.82Å; N1256-Q1260 PolarHBondContact OD1-NE2 3.4Å
1257	Y	57.3	Low	55.6	Low	66 Å²	66	43.5 Å²	43.5	26%	0.259	21%	0.211	S	C	.	.	H	α-helix	trans	-66.8	-31.2	177.4	-85.1	-92.8	0	0	0	112	L1221 I1223 I1253 L1261	L1221-Y1257 WeakPolarHBondContact CB-OH 3.34Å; L1221-Y1257 PolarHBondContact O-OH 3.27Å; I1223-Y1257 HydrophobicContact CB-CD1 4.45Å; I1223-Y1257 HydrophobicContact CB-CE1 4.39Å; I1223-Y1257 HydrophobicContact CD1-CD2 4.02Å; I1223-Y1257 HydrophobicContact CD1-CE2 3.99Å; I1253-Y1257 HydrophobicContact CG2-CD2 3.68Å; I1253-Y1257 HydrophobicContact CG2-CE2 3.8Å; I1253-Y1257 WeakPolarHBondContact O-CB 3.15Å; I1253-Y1257 VanDerWaalsContact O-CD2 3.29Å; I1253-Y1257 WeakPolarHBondContact O-CD2 3.29Å; I1253-Y1257 PolarHBondContact O-N 3.29Å; Y1257-L1261 WeakPolarHBondContact O-CB 3.3Å; Y1257-L1261 PolarHBondContact O-N 2.85Å
1258	K	62.1	Low	54.5	Low	3 Å²	3	47.1 Å²	47.1	1%	0.013	22%	0.224	C	C	.	.	H	α-helix	trans	-69.3	-47.3	173.4	-172.3	75.5	-172.7	-161.8	0	111.7	L1228 Y1229 W1254 L1255 N1256 Q1260 L1261 L1262 E1278	L1228-K1258 HydrophobicContact CB-CD 4.23Å; L1228-K1258 HydrophobicContact CD2-CB 4.4Å; Y1229-K1258 VanDerWaalsContact CD1-NZ 3.28Å; W1254-K1258 HydrophobicContact CE3-CB 4.45Å; W1254-K1258 HydrophobicContact CH2-CB 4.36Å; W1254-K1258 HydrophobicContact CH2-CD 4.26Å; W1254-K1258 HydrophobicContact CH2-CG 3.98Å; W1254-K1258 HydrophobicContact CZ2-CB 4.44Å; W1254-K1258 HydrophobicContact CZ2-CD 3.98Å; W1254-K1258 HydrophobicContact CZ2-CG 4.15Å; W1254-K1258 HydrophobicContact CZ3-CB 4.37Å; W1254-K1258 HydrophobicContact CZ3-CG 4.38Å; W1254-K1258 WeakPolarHBondContact O-CB 3.43Å; W1254-K1258 PolarHBondContact O-N 2.87Å; L1255-K1258 PolarHBondContact O-N 2.97Å; N1256-K1258 VanDerWaalsContact C-N 3.3Å; N1256-K1258 PolarHBondContact O-N 2.89Å; K1258-Q1260 VanDerWaalsContact C-N 3.35Å; K1258-L1261 PolarHBondContact O-N 3.01Å; K1258-L1262 HydrophobicContact CG-CD1 4.2Å; K1258-L1262 WeakPolarHBondContact O-CG 3.5Å; K1258-L1262 PolarHBondContact O-N 3.32Å; K1258-E1278 WeakPolarHBondContact CE-OE2 3.45Å; K1258-E1278 IonicContact NZ-OE1 2.98Å; K1258-E1278 PolarHBondContact NZ-OE1 3.16Å; K1258-E1278 IonicContact NZ-OE2 3.74Å; K1258-E1278 PolarHBondContact NZ-OE2 3.17Å
1259	L	57.9	Low	53.5	Low	34 Å²	34	50.3 Å²	50.3	18%	0.178	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-41.1	175.2	-76.2	169.6	0	0	0	111.4	L1255 N1256 L1262 L1263 I1271 L1422	L1255-L1259 HydrophobicContact CD2-CD1 4.34Å; L1255-L1259 HydrophobicContact CG-CD1 4Å; L1255-L1259 VanDerWaalsContact O-CB 3.32Å; L1255-L1259 WeakPolarHBondContact O-CB 3.47Å; L1255-L1259 VanDerWaalsContact O-CG 3.3Å; L1255-L1259 WeakPolarHBondContact O-CG 3.14Å; L1255-L1259 PolarHBondContact O-N 3.31Å; N1256-L1259 PolarHBondContact O-N 3.36Å; L1259-L1262 PolarHBondContact O-N 3.29Å; L1259-L1263 VanDerWaalsContact O-CB 3.25Å; L1259-L1263 WeakPolarHBondContact O-CB 3.41Å; L1259-L1263 WeakPolarHBondContact O-CD1 3.28Å; L1259-L1263 VanDerWaalsContact O-CG 3.24Å; L1259-L1263 WeakPolarHBondContact O-CG 3.14Å; L1259-L1263 PolarHBondContact O-N 3.07Å; L1259-I1271 HydrophobicContact CD2-CG2 4.08Å; L1259-L1422 HydrophobicContact CD1-CD1 4.05Å
1260	Q	53.6	Low	52.9	Low	38 Å²	38	52 Å²	52	18%	0.178	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-48.9	172	-76.5	176.1	2.8	0	0	111.1	N1256 K1258 L1262 L1263 F1264 I1419	N1256-Q1260 PolarHBondContact ND2-NE2 3.14Å; N1256-Q1260 VanDerWaalsContact O-CB 3.32Å; N1256-Q1260 WeakPolarHBondContact O-CB 3.24Å; N1256-Q1260 WeakPolarHBondContact O-CG 3.33Å; N1256-Q1260 PolarHBondContact O-N 2.82Å; N1256-Q1260 PolarHBondContact OD1-NE2 3.4Å; K1258-Q1260 VanDerWaalsContact C-N 3.35Å; Q1260-L1262 VanDerWaalsContact C-N 3.31Å; Q1260-L1262 PolarHBondContact O-N 3.05Å; Q1260-L1263 WeakPolarHBondContact O-CB 3.45Å; Q1260-L1263 PolarHBondContact O-N 3Å; Q1260-F1264 HydrophobicContact CB-CD2 4.49Å; Q1260-F1264 HydrophobicContact CB-CE2 4.18Å; Q1260-F1264 WeakPolarHBondContact O-CD2 3.4Å; Q1260-F1264 WeakPolarHBondContact O-CG 3.44Å; Q1260-F1264 PolarHBondContact O-N 3.34Å; Q1260-I1419 HydrophobicContact CG-CG2 4.24Å
1261	L	53	Low	52.5	Low	40 Å²	40	48.4 Å²	48.4	21%	0.209	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-35.1	179.9	-131.1	155.6	0	0	0	112.6	W1225 L1228 Y1229 Y1257 K1258 F1264 T1265	W1225-L1261 HydrophobicContact CB-CD1 3.91Å; L1228-L1261 HydrophobicContact CD1-CD1 3.52Å; Y1229-L1261 HydrophobicContact CE2-CD1 4.23Å; Y1257-L1261 WeakPolarHBondContact O-CB 3.3Å; Y1257-L1261 PolarHBondContact O-N 2.85Å; K1258-L1261 PolarHBondContact O-N 3.01Å; L1261-F1264 PolarHBondContact O-N 3.4Å; L1261-T1265 PolarHBondContact O-N 3.13Å; L1261-T1265 PolarHBondContact O-OG1 3.23Å
1262	L	52.9	Low	52.2	Low	11 Å²	11	49.8 Å²	49.8	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-73.1	-36.7	174.1	-69	169.3	0	0	0	113	K1258 L1259 Q1260 F1264 T1265 I1271 N1274 C1275	K1258-L1262 HydrophobicContact CG-CD1 4.2Å; K1258-L1262 WeakPolarHBondContact O-CG 3.5Å; K1258-L1262 PolarHBondContact O-N 3.32Å; L1259-L1262 PolarHBondContact O-N 3.29Å; Q1260-L1262 VanDerWaalsContact C-N 3.31Å; Q1260-L1262 PolarHBondContact O-N 3.05Å; L1262-F1264 PolarHBondContact O-N 3.4Å; L1262-T1265 WeakPolarHBondContact CA-OG1 3.13Å; L1262-T1265 PolarHBondContact O-N 3.49Å; L1262-T1265 VanDerWaalsContact O-N 3.15Å; L1262-T1265 PolarHBondContact O-OG1 2.87Å; L1262-I1271 HydrophobicContact CB-CG2 3.98Å; L1262-N1274 HydrophobicContact CD1-CB 4.29Å; L1262-N1274 HydrophobicContact CD2-CB 3.74Å; L1262-C1275 WeakPolarHBondContact CD1-SG 3.4Å
1263	L	47	Very low	52	Low	42 Å²	42	48.3 Å²	48.3	22%	0.22	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-23.8	170.2	-80.1	160.7	0	0	0	112.8	L1259 Q1260 I1271 Y1415 I1419	L1259-L1263 VanDerWaalsContact O-CB 3.25Å; L1259-L1263 WeakPolarHBondContact O-CB 3.41Å; L1259-L1263 WeakPolarHBondContact O-CD1 3.28Å; L1259-L1263 VanDerWaalsContact O-CG 3.24Å; L1259-L1263 WeakPolarHBondContact O-CG 3.14Å; L1259-L1263 PolarHBondContact O-N 3.07Å; Q1260-L1263 WeakPolarHBondContact O-CB 3.45Å; Q1260-L1263 PolarHBondContact O-N 3Å; L1263-I1271 HydrophobicContact CB-CD1 4.44Å; L1263-I1271 HydrophobicContact CD2-CD1 3.53Å; L1263-I1271 HydrophobicContact CG-CD1 3.91Å; L1263-Y1415 HydrophobicContact CD2-CE1 4.18Å; L1263-I1419 HydrophobicContact CD1-CD1 4.23Å; L1263-I1419 HydrophobicContact CD1-CG1 4.09Å
1264	F	44.7	Very low	52.1	Low	137 Å²	137	50 Å²	50	60%	0.601	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-8	173.9	-69.8	-52.5	0	0	0	113.9	Q1260 L1261 L1262	Q1260-F1264 HydrophobicContact CB-CD2 4.49Å; Q1260-F1264 HydrophobicContact CB-CE2 4.18Å; Q1260-F1264 WeakPolarHBondContact O-CD2 3.4Å; Q1260-F1264 WeakPolarHBondContact O-CG 3.44Å; Q1260-F1264 PolarHBondContact O-N 3.34Å; L1261-F1264 PolarHBondContact O-N 3.4Å; L1262-F1264 PolarHBondContact O-N 3.4Å
1265	T	45.9	Very low	51.8	Low	61 Å²	61	50.3 Å²	50.3	37%	0.374	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-59.1	-179.3	45	0	0	0	0	114.4	L1261 L1262	L1261-T1265 PolarHBondContact O-N 3.13Å; L1261-T1265 PolarHBondContact O-OG1 3.23Å; L1262-T1265 WeakPolarHBondContact CA-OG1 3.13Å; L1262-T1265 PolarHBondContact O-N 3.49Å; L1262-T1265 VanDerWaalsContact O-N 3.15Å; L1262-T1265 PolarHBondContact O-OG1 2.87Å
1266	D	39.3	Very low	51.6	Low	72 Å²	72	49 Å²	49	39%	0.385	25%	0.248	S	C	.	.	S	Bend	trans	-154.4	178.6	-167	-84.9	-55.2	0	0	0	114.4	L1270	D1266-L1270 HydrophobicContact CB-CD2 4.49Å
1267	N	46.2	Very low	51.7	Low	91 Å²	91	50.8 Å²	50.8	49%	0.487	26%	0.257	S	S	.	.			trans	-51.8	147.3	-172.7	-80.8	-61.5	0	0	0	115.8	D836 S1269 L1270	D836-N1267 PolarHBondContact OD2-ND2 3Å; N1267-S1269 VanDerWaalsContact C-N 3.29Å; N1267-S1269 PolarHBondContact O-N 3.17Å; N1267-L1270 PolarHBondContact O-N 2.9Å
1268	Y	39.7	Very low	51.9	Low	112 Å²	112	49.7 Å²	49.7	44%	0.439	25%	0.254	S	S	.	.	H	α-helix	trans	-42.8	-42.7	-172.8	-74.4	-83.5	0	0	0	116.2	I1271 Y1415	Y1268-I1271 WeakPolarHBondContact O-CB 3.46Å; Y1268-I1271 PolarHBondContact O-N 3.46Å; Y1268-Y1415 HydrophobicContact CE1-CE1 4.43Å; Y1268-Y1415 HydrophobicContact CE2-CE2 4.35Å; Y1268-Y1415 AromaticContact CZ-CE2 3.87Å; Y1268-Y1415 AromaticContact CZ-CZ 3.63Å; Y1268-Y1415 WeakPolarHBondContact OH-CE2 3.25Å; Y1268-Y1415 VanDerWaalsContact OH-CZ 3.3Å
1269	S	43.9	Very low	52	Low	68 Å²	68	50.5 Å²	50.5	48%	0.476	26%	0.258	S	S	.	.	H	α-helix	trans	-70.8	-31.7	-177.5	49.7	0	0	0	0	113.5	N1267 I1271	N1267-S1269 VanDerWaalsContact C-N 3.29Å; N1267-S1269 PolarHBondContact O-N 3.17Å; S1269-I1271 VanDerWaalsContact C-N 3.27Å; S1269-I1271 PolarHBondContact O-N 3.45Å
1270	L	52	Low	52.1	Low	44 Å²	44	50.3 Å²	50.3	23%	0.23	26%	0.258	C	S	.	.	H	α-helix	trans	-69.7	-24.2	174.9	-94.3	80.2	0	0	0	112.1	D1266 N1267 Q1273 N1274	D1266-L1270 HydrophobicContact CB-CD2 4.49Å; N1267-L1270 PolarHBondContact O-N 2.9Å; L1270-Q1273 PolarHBondContact O-N 2.91Å; L1270-N1274 WeakPolarHBondContact O-CB 3.46Å; L1270-N1274 PolarHBondContact O-N 3.32Å; L1270-N1274 PolarHBondContact O-ND2 2.8Å
1271	I	52.3	Low	52.3	Low	15 Å²	15	52.7 Å²	52.7	8%	0.077	27%	0.271	C	S	.	.	H	α-helix	trans	-64.1	-47.4	-176.1	-57.6	178.1	0	0	0	110.7	L1259 L1262 L1263 Y1268 S1269 C1275	L1259-I1271 HydrophobicContact CD2-CG2 4.08Å; L1262-I1271 HydrophobicContact CB-CG2 3.98Å; L1263-I1271 HydrophobicContact CB-CD1 4.44Å; L1263-I1271 HydrophobicContact CD2-CD1 3.53Å; L1263-I1271 HydrophobicContact CG-CD1 3.91Å; Y1268-I1271 WeakPolarHBondContact O-CB 3.46Å; Y1268-I1271 PolarHBondContact O-N 3.46Å; S1269-I1271 VanDerWaalsContact C-N 3.27Å; S1269-I1271 PolarHBondContact O-N 3.45Å; I1271-C1275 WeakPolarHBondContact O-CB 3.19Å; I1271-C1275 PolarHBondContact O-N 2.66Å; I1271-C1275 VanDerWaalsContact O-N 3.08Å
1272	I	52.4	Low	52.7	Low	38 Å²	38	51.3 Å²	51.3	20%	0.195	27%	0.265	C	S	.	.	H	α-helix	trans	-69.2	-40.9	178.1	-61.1	178.1	0	0	0	110.3	C1275 L1276 Y1334	I1272-C1275 WeakPolarHBondContact O-CB 3.46Å; I1272-C1275 PolarHBondContact O-N 3.39Å; I1272-L1276 HydrophobicContact CG2-CD1 3.79Å; I1272-L1276 HydrophobicContact CG2-CG 4.41Å; I1272-L1276 WeakPolarHBondContact O-CB 3.24Å; I1272-L1276 WeakPolarHBondContact O-CG 3.25Å; I1272-L1276 PolarHBondContact O-N 3.22Å; I1272-Y1334 HydrophobicContact CD1-CD1 3.9Å; I1272-Y1334 HydrophobicContact CD1-CD2 4.09Å; I1272-Y1334 HydrophobicContact CD1-CE1 3.77Å; I1272-Y1334 HydrophobicContact CD1-CE2 3.96Å; I1272-Y1334 HydrophobicContact CD1-CG 4.07Å
1273	Q	52.5	Low	53	Low	56 Å²	56	52.2 Å²	52.2	26%	0.262	27%	0.269	S	S	.	.	H	α-helix	trans	-65.3	-49.2	178.3	-163.1	-169.6	-45.1	0	0	111.9	L1270 C1275 L1276 D1277 L1344	L1270-Q1273 PolarHBondContact O-N 2.91Å; Q1273-C1275 VanDerWaalsContact C-N 3.26Å; Q1273-C1275 PolarHBondContact O-N 3.35Å; Q1273-L1276 PolarHBondContact O-N 2.67Å; Q1273-D1277 PolarHBondContact NE2-OD2 3.21Å; Q1273-D1277 WeakPolarHBondContact O-CB 3.35Å; Q1273-D1277 PolarHBondContact O-N 3.22Å; Q1273-L1344 HydrophobicContact CB-CD2 4.2Å; Q1273-L1344 HydrophobicContact CG-CD2 4.4Å
1274	N	57.8	Low	53.3	Low	54 Å²	54	52 Å²	52	29%	0.289	27%	0.268	S	S	.	.	H	α-helix	trans	-62.3	-32.6	178.1	-71.5	-21.7	0	0	0	112.4	L1262 L1270 E1278	L1262-N1274 HydrophobicContact CD1-CB 4.29Å; L1262-N1274 HydrophobicContact CD2-CB 3.74Å; L1270-N1274 WeakPolarHBondContact O-CB 3.46Å; L1270-N1274 PolarHBondContact O-N 3.32Å; L1270-N1274 PolarHBondContact O-ND2 2.8Å; N1274-E1278 PolarHBondContact O-N 3.02Å
1275	C	58.9	Low	53.7	Low	12 Å²	12	50.8 Å²	50.8	8%	0.081	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-56.4	167.4	-90.7	0	0	0	0	111.3	L1262 I1271 I1272 Q1273 D1277 E1278 F1279	L1262-C1275 WeakPolarHBondContact CD1-SG 3.4Å; I1271-C1275 WeakPolarHBondContact O-CB 3.19Å; I1271-C1275 PolarHBondContact O-N 2.66Å; I1271-C1275 VanDerWaalsContact O-N 3.08Å; I1272-C1275 WeakPolarHBondContact O-CB 3.46Å; I1272-C1275 PolarHBondContact O-N 3.39Å; Q1273-C1275 VanDerWaalsContact C-N 3.26Å; Q1273-C1275 PolarHBondContact O-N 3.35Å; C1275-D1277 PolarHBondContact O-N 2.78Å; C1275-E1278 PolarHBondContact O-N 2.94Å; C1275-F1279 HydrophobicContact CB-CD2 4.43Å; C1275-F1279 HydrophobicContact CB-CE2 4.38Å; C1275-F1279 WeakPolarHBondContact O-CD2 3.43Å; C1275-F1279 PolarHBondContact O-N 3.36Å
1276	L	58.4	Low	54	Low	24 Å²	24	48.5 Å²	48.5	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-41.4	-176.7	-75.3	169	0	0	0	112.4	I1272 Q1273 E1278 F1279 V1280 L1328 L1331 I1348	I1272-L1276 HydrophobicContact CG2-CD1 3.79Å; I1272-L1276 HydrophobicContact CG2-CG 4.41Å; I1272-L1276 WeakPolarHBondContact O-CB 3.24Å; I1272-L1276 WeakPolarHBondContact O-CG 3.25Å; I1272-L1276 PolarHBondContact O-N 3.22Å; Q1273-L1276 PolarHBondContact O-N 2.67Å; L1276-E1278 VanDerWaalsContact C-N 3.35Å; L1276-E1278 PolarHBondContact O-N 2.86Å; L1276-F1279 PolarHBondContact O-N 3.19Å; L1276-V1280 WeakPolarHBondContact O-CB 3.28Å; L1276-V1280 VanDerWaalsContact O-CG2 3.25Å; L1276-V1280 WeakPolarHBondContact O-CG2 3.35Å; L1276-V1280 PolarHBondContact O-N 2.76Å; L1276-L1328 HydrophobicContact CD2-CD2 4.44Å; L1276-L1331 HydrophobicContact CD2-CD1 3.73Å; L1276-L1331 HydrophobicContact CG-CD1 4.47Å; L1276-I1348 HydrophobicContact CB-CD1 3.99Å; L1276-I1348 HydrophobicContact CD1-CD1 3.84Å; L1276-I1348 HydrophobicContact CD2-CD1 4.47Å; L1276-I1348 HydrophobicContact CG-CD1 4.32Å
1277	D	58.9	Low	54.3	Low	48 Å²	48	48.7 Å²	48.7	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-62.1	-40.5	175.9	-71.8	-17	0	0	0	110.7	Q1273 C1275 L1281	Q1273-D1277 PolarHBondContact NE2-OD2 3.21Å; Q1273-D1277 WeakPolarHBondContact O-CB 3.35Å; Q1273-D1277 PolarHBondContact O-N 3.22Å; C1275-D1277 PolarHBondContact O-N 2.78Å; D1277-L1281 VanDerWaalsContact O-CB 3.29Å; D1277-L1281 WeakPolarHBondContact O-CB 3.41Å; D1277-L1281 WeakPolarHBondContact O-CD1 3.47Å; D1277-L1281 WeakPolarHBondContact O-CG 3.35Å; D1277-L1281 PolarHBondContact O-N 3Å
1278	E	61.1	Low	54.2	Low	43 Å²	43	52.7 Å²	52.7	20%	0.201	25%	0.254	C	S	.	.	H	α-helix	trans	-71.7	-35.4	172.1	-95	-164.4	-145.1	0	0	114.2	Y1229 K1258 N1274 C1275 L1276 C1282	Y1229-E1278 WeakPolarHBondContact CD1-OE1 3.29Å; K1258-E1278 WeakPolarHBondContact CE-OE2 3.45Å; K1258-E1278 IonicContact NZ-OE1 2.98Å; K1258-E1278 PolarHBondContact NZ-OE1 3.16Å; K1258-E1278 IonicContact NZ-OE2 3.74Å; K1258-E1278 PolarHBondContact NZ-OE2 3.17Å; N1274-E1278 PolarHBondContact O-N 3.02Å; C1275-E1278 PolarHBondContact O-N 2.94Å; L1276-E1278 VanDerWaalsContact C-N 3.35Å; L1276-E1278 PolarHBondContact O-N 2.86Å; E1278-C1282 VanDerWaalsContact O-CB 3.25Å; E1278-C1282 WeakPolarHBondContact O-CB 3.47Å; E1278-C1282 PolarHBondContact O-N 3.22Å; E1278-C1282 PolarHBondContact O-SG 3.02Å
1279	F	64.7	Low	54	Low	21 Å²	21	51.3 Å²	51.3	9%	0.092	26%	0.259	C	S	.	.	H	α-helix	trans	-60.1	-47.2	171.4	-83.2	-75.6	0	0	0	110.5	F1249 L1255 C1275 L1276 C1282 L1283	F1249-F1279 HydrophobicContact CB-CE1 3.92Å; F1249-F1279 AromaticContact CD1-CD1 3.52Å; F1249-F1279 HydrophobicContact CD1-CD1 3.52Å; F1249-F1279 AromaticContact CD1-CE1 3.31Å; F1249-F1279 HydrophobicContact CD1-CE1 3.31Å; F1249-F1279 HydrophobicContact CD1-CZ 4.4Å; F1249-F1279 HydrophobicContact CD2-CD1 4.07Å; F1249-F1279 HydrophobicContact CD2-CE1 4.15Å; F1249-F1279 AromaticContact CE1-CD1 3.42Å; F1249-F1279 HydrophobicContact CE1-CD1 3.42Å; F1249-F1279 VanDerWaalsContact CE1-CD1 3.42Å; F1249-F1279 AromaticContact CE1-CE1 3.74Å; F1249-F1279 HydrophobicContact CE1-CE1 3.74Å; F1249-F1279 HydrophobicContact CE1-CG 4.39Å; F1249-F1279 AromaticContact CE2-CD1 3.97Å; F1249-F1279 HydrophobicContact CE2-CD1 3.97Å; F1249-F1279 HydrophobicContact CE2-CE1 4.49Å; F1249-F1279 AromaticContact CG-CD1 3.86Å; F1249-F1279 HydrophobicContact CG-CD1 3.86Å; F1249-F1279 AromaticContact CG-CE1 3.55Å; F1249-F1279 HydrophobicContact CG-CE1 3.55Å; F1249-F1279 AromaticContact CZ-CD1 3.64Å; F1249-F1279 HydrophobicContact CZ-CD1 3.64Å; F1249-F1279 HydrophobicContact CZ-CE1 4.3Å; L1255-F1279 HydrophobicContact CD1-CE2 4.3Å; L1255-F1279 HydrophobicContact CD1-CZ 3.81Å; C1275-F1279 HydrophobicContact CB-CD2 4.43Å; C1275-F1279 HydrophobicContact CB-CE2 4.38Å; C1275-F1279 WeakPolarHBondContact O-CD2 3.43Å; C1275-F1279 PolarHBondContact O-N 3.36Å; L1276-F1279 PolarHBondContact O-N 3.19Å; F1279-C1282 PolarHBondContact O-N 3.13Å; F1279-L1283 VanDerWaalsContact O-CG 3.3Å; F1279-L1283 WeakPolarHBondContact O-CG 3.47Å; F1279-L1283 PolarHBondContact O-N 3.38Å
1280	V	59.7	Low	53.7	Low	29 Å²	29	52.6 Å²	52.6	18%	0.176	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-47.5	179.2	170.1	0	0	0	0	110.9	L1276 C1282 L1283 L1284 I1348	L1276-V1280 WeakPolarHBondContact O-CB 3.28Å; L1276-V1280 VanDerWaalsContact O-CG2 3.25Å; L1276-V1280 WeakPolarHBondContact O-CG2 3.35Å; L1276-V1280 PolarHBondContact O-N 2.76Å; V1280-C1282 VanDerWaalsContact C-N 3.34Å; V1280-C1282 PolarHBondContact O-N 3.26Å; V1280-L1283 PolarHBondContact O-N 2.95Å; V1280-L1283 VanDerWaalsContact O-N 3.07Å; V1280-L1284 HydrophobicContact CG1-CD1 3.75Å; V1280-L1284 HydrophobicContact CG1-CG 4.17Å; V1280-L1284 WeakPolarHBondContact O-CG 3.45Å; V1280-L1284 PolarHBondContact O-N 3.06Å; V1280-I1348 HydrophobicContact CG2-CG2 4.07Å
1281	L	58.1	Low	52.9	Low	89 Å²	89	54 Å²	54	47%	0.466	27%	0.273	S	S	.	.	H	α-helix	trans	-56.5	-46.2	174.1	-76.2	165.6	0	0	0	111.7	D1277 L1283 L1284 Y1285	D1277-L1281 VanDerWaalsContact O-CB 3.29Å; D1277-L1281 WeakPolarHBondContact O-CB 3.41Å; D1277-L1281 WeakPolarHBondContact O-CD1 3.47Å; D1277-L1281 WeakPolarHBondContact O-CG 3.35Å; D1277-L1281 PolarHBondContact O-N 3Å; L1281-L1283 PolarHBondContact O-N 3.24Å; L1281-L1284 PolarHBondContact O-N 2.87Å; L1281-Y1285 VanDerWaalsContact O-CD2 3.3Å; L1281-Y1285 WeakPolarHBondContact O-CD2 3.26Å; L1281-Y1285 PolarHBondContact O-N 3.44Å
1282	C	60.1	Low	52.3	Low	10 Å²	10	59.8 Å²	59.8	7%	0.068	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-23.5	178.3	-70.7	0	0	0	0	113.6	P1232 L1244 F1249 E1278 F1279 V1280 N1286	P1232-C1282 VanDerWaalsContact CB-SG 3.55Å; L1244-C1282 HydrophobicContact CD1-CB 4.36Å; L1244-C1282 HydrophobicContact CD2-CB 4.32Å; F1249-C1282 HydrophobicContact CE1-CB 4.2Å; F1249-C1282 HydrophobicContact CZ-CB 3.81Å; E1278-C1282 VanDerWaalsContact O-CB 3.25Å; E1278-C1282 WeakPolarHBondContact O-CB 3.47Å; E1278-C1282 PolarHBondContact O-N 3.22Å; E1278-C1282 PolarHBondContact O-SG 3.02Å; F1279-C1282 PolarHBondContact O-N 3.13Å; V1280-C1282 VanDerWaalsContact C-N 3.34Å; V1280-C1282 PolarHBondContact O-N 3.26Å; C1282-N1286 PolarHBondContact O-ND2 3.09Å
1283	L	58.7	Low	51.8	Low	30 Å²	30	66.8 Å²	66.8	16%	0.157	33%	0.333	C	S	.	.	H	α-helix	trans	-83.8	-44.1	173.6	-72.2	168.2	0	0	0	112.3	F1249 F1279 V1280 L1281 Y1285 N1286 I1324	F1249-L1283 HydrophobicContact CE2-CD2 4.19Å; F1249-L1283 HydrophobicContact CE2-CG 4.27Å; F1279-L1283 VanDerWaalsContact O-CG 3.3Å; F1279-L1283 WeakPolarHBondContact O-CG 3.47Å; F1279-L1283 PolarHBondContact O-N 3.38Å; V1280-L1283 PolarHBondContact O-N 2.95Å; V1280-L1283 VanDerWaalsContact O-N 3.07Å; L1281-L1283 PolarHBondContact O-N 3.24Å; L1283-Y1285 VanDerWaalsContact C-N 3.29Å; L1283-Y1285 PolarHBondContact O-N 3.29Å; L1283-N1286 PolarHBondContact O-N 3.16Å; L1283-N1286 VanDerWaalsContact O-N 3.16Å; L1283-N1286 PolarHBondContact O-ND2 3.19Å; L1283-I1324 HydrophobicContact CD1-CD1 4.41Å; L1283-I1324 HydrophobicContact CD1-CG2 4.41Å; L1283-I1324 HydrophobicContact CD2-CD1 3.8Å
1284	L	54.3	Low	51.2	Low	38 Å²	38	66.1 Å²	66.1	20%	0.199	33%	0.331	C	S	.	.	H	α-helix	trans	-57.3	-38.6	178.8	-75.5	169.8	0	0	0	112.7	V1280 L1281 N1286 Q1287	V1280-L1284 HydrophobicContact CG1-CD1 3.75Å; V1280-L1284 HydrophobicContact CG1-CG 4.17Å; V1280-L1284 WeakPolarHBondContact O-CG 3.45Å; V1280-L1284 PolarHBondContact O-N 3.06Å; L1281-L1284 PolarHBondContact O-N 2.87Å; L1284-N1286 PolarHBondContact O-N 3.11Å; L1284-Q1287 PolarHBondContact O-N 2.89Å
1285	Y	53.2	Low	50.3	Low	111 Å²	111	67.8 Å²	67.8	44%	0.435	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-23.7	178	-96.2	-70.3	0	0	0	114.4	Y1233 L1281 L1283	Y1233-Y1285 HydrophobicContact CD2-CE2 4.43Å; Y1233-Y1285 HydrophobicContact CE2-CE1 4.47Å; L1281-Y1285 VanDerWaalsContact O-CD2 3.3Å; L1281-Y1285 WeakPolarHBondContact O-CD2 3.26Å; L1281-Y1285 PolarHBondContact O-N 3.44Å; L1283-Y1285 VanDerWaalsContact C-N 3.29Å; L1283-Y1285 PolarHBondContact O-N 3.29Å
1286	N	51.2	Low	49.6	Very low	14 Å²	14	74.2 Å²	74.2	8%	0.075	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-17.4	-179.8	-55.4	-84.1	0	0	0	113.8	I1241 C1282 L1283 L1284	I1241-N1286 HydrophobicContact CD1-CB 4.12Å; I1241-N1286 HydrophobicContact CG1-CB 4.47Å; I1241-N1286 WeakPolarHBondContact CG1-OD1 3.43Å; C1282-N1286 PolarHBondContact O-ND2 3.09Å; L1283-N1286 PolarHBondContact O-N 3.16Å; L1283-N1286 VanDerWaalsContact O-N 3.16Å; L1283-N1286 PolarHBondContact O-ND2 3.19Å; L1284-N1286 PolarHBondContact O-N 3.11Å
1287	Q	46.7	Very low	49	Very low	75 Å²	75	82.2 Å²	82.2	35%	0.35	41%	0.407	S	S	.	.	S	Bend	trans	-87.1	-13.3	-171.1	-67.6	-165.8	-9.8	0	0	114.9	L1284 P1289 I1290	L1284-Q1287 PolarHBondContact O-N 2.89Å; Q1287-P1289 WeakPolarHBondContact O-CD 2.96Å; Q1287-P1289 VanDerWaalsContact O-N 3.16Å; Q1287-I1290 PolarHBondContact O-N 3.01Å
1288	Y	43.3	Very low	48.3	Very low	175 Å²	175	84.3 Å²	84.3	69%	0.686	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-8.4	-170.2	-105.8	-82	0	0	0	119.4
1289	P	36.4	Very low	47.5	Very low	84 Å²	84	89 Å²	89	55%	0.545	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	2.1	174	36.7	-33.3	0	0	0	115.3	Q1287	Q1287-P1289 WeakPolarHBondContact O-CD 2.96Å; Q1287-P1289 VanDerWaalsContact O-N 3.16Å
1290	I	36.5	Very low	46.5	Very low	95 Å²	95	95.2 Å²	95.2	49%	0.487	48%	0.478	S	S	.	.			trans	-92.9	-22	-167.4	-59.5	-179.6	0	0	0	114	Q1287 N1292 K1293 I1294	Q1287-I1290 PolarHBondContact O-N 3.01Å; I1290-N1292 VanDerWaalsContact C-N 3.29Å; I1290-N1292 PolarHBondContact O-N 2.87Å; I1290-N1292 VanDerWaalsContact O-N 3.1Å; I1290-K1293 PolarHBondContact O-N 3.11Å; I1290-I1294 HydrophobicContact CG2-CD1 3.95Å; I1290-I1294 HydrophobicContact CG2-CG1 4.34Å
1291	S	36.9	Very low	45.4	Very low	72 Å²	72	100.7 Å²	100.7	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-47.6	-43.2	-174.2	51.9	0	0	0	0	114.7	K1293 I1294	S1291-K1293 PolarHBondContact O-N 2.84Å; S1291-I1294 PolarHBondContact O-N 3.05Å; S1291-I1294 VanDerWaalsContact O-N 3.14Å
1292	N	38.9	Very low	44.5	Very low	138 Å²	138	101.3 Å²	101.3	74%	0.738	51%	0.51	S	S	*	.	H	α-helix	trans	-65.5	-9.1	-177.3	-76.7	-13.9	0	0	0	115.7	I1290	I1290-N1292 VanDerWaalsContact C-N 3.29Å; I1290-N1292 PolarHBondContact O-N 2.87Å; I1290-N1292 VanDerWaalsContact O-N 3.1Å
1293	K	41.1	Very low	43.6	Very low	185 Å²	185	107 Å²	107	80%	0.804	54%	0.54	S	S	*	.	H	α-helix	trans	-101.2	-15	173.8	-79.2	-174.1	175.5	179.4	0	114.4	I1290 S1291	I1290-K1293 PolarHBondContact O-N 3.11Å; S1291-K1293 PolarHBondContact O-N 2.84Å
1294	I	41.3	Very low	42.9	Very low	41 Å²	41	113.8 Å²	113.8	21%	0.21	57%	0.571	C	S	.	*	H	α-helix	trans	-86.9	-34.1	-172.9	-67.8	178.6	0	0	0	111.7	I1290 S1291 N1296 K1297 I1298	I1290-I1294 HydrophobicContact CG2-CD1 3.95Å; I1290-I1294 HydrophobicContact CG2-CG1 4.34Å; S1291-I1294 PolarHBondContact O-N 3.05Å; S1291-I1294 VanDerWaalsContact O-N 3.14Å; I1294-N1296 PolarHBondContact O-N 2.92Å; I1294-K1297 PolarHBondContact O-N 2.76Å; I1294-K1297 VanDerWaalsContact O-N 3.14Å; I1294-I1298 HydrophobicContact CG2-CD1 3.43Å; I1294-I1298 VanDerWaalsContact CG2-CD1 3.43Å; I1294-I1298 HydrophobicContact CG2-CG1 4.18Å
1295	N	38.2	Very low	42.6	Very low	90 Å²	90	116.4 Å²	116.4	48%	0.481	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.5	-20.3	-179.2	-69.8	-5.5	0	0	0	114.9
1296	N	43	Very low	42.2	Very low	146 Å²	146	114.3 Å²	114.3	78%	0.781	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	6.5	-178.2	-68.5	-0.8	0	0	0	114.4	I1294	I1294-N1296 PolarHBondContact O-N 2.92Å
1297	K	46	Very low	41.9	Very low	192 Å²	192	116 Å²	116	84%	0.835	59%	0.589	S	S	*	*	S	Bend	trans	-132.3	-4.8	-177.2	-88.8	-168.9	172.3	-172.6	0	116.7	I1294	I1294-K1297 PolarHBondContact O-N 2.76Å; I1294-K1297 VanDerWaalsContact O-N 3.14Å
1298	I	45.9	Very low	42	Very low	93 Å²	93	116.9 Å²	116.9	48%	0.477	60%	0.596	S	S	.	*			trans	-93.5	-9.8	-170	-71.4	-174.3	0	0	0	114.4	I1294 N1300	I1294-I1298 HydrophobicContact CG2-CD1 3.43Å; I1294-I1298 VanDerWaalsContact CG2-CD1 3.43Å; I1294-I1298 HydrophobicContact CG2-CG1 4.18Å; I1298-N1300 PolarHBondContact O-N 3.2Å
1299	N	43.7	Very low	42.1	Very low	142 Å²	142	112.5 Å²	112.5	76%	0.759	58%	0.584	S	S	*	*			trans	-66.6	11.9	-171.1	-67.3	6.7	0	0	0	117.4
1300	N	43.7	Very low	42.5	Very low	150 Å²	150	110.7 Å²	110.7	80%	0.802	57%	0.57	S	S	*	*	S	Bend	trans	-126.2	92.4	-177.6	-75.3	-16.6	0	0	0	112.2	I1298	I1298-N1300 PolarHBondContact O-N 3.2Å
1301	N	35.2	Very low	43.2	Very low	144 Å²	144	108.5 Å²	108.5	77%	0.77	56%	0.559	S	S	*	*			trans	18.9	112.1	152.7	-53.3	-4.7	0	0	0	119
1302	N	40.6	Very low	43.8	Very low	102 Å²	102	109 Å²	109	55%	0.545	56%	0.556	S	S	.	*				169.3	104.1	129.5	-86.8	-19.4	0	0	0	110.3	Q1304 L1305 I1306	N1302-Q1304 PolarHBondContact O-N 3.49Å; N1302-L1305 HydrophobicContact CB-CB 3.92Å; N1302-L1305 HydrophobicContact CB-CD1 3.94Å; N1302-L1305 WeakPolarHBondContact O-CA 3.36Å; N1302-L1305 VanDerWaalsContact O-CB 3.32Å; N1302-L1305 WeakPolarHBondContact O-CB 3.34Å; N1302-L1305 PolarHBondContact O-N 2.9Å; N1302-I1306 PolarHBondContact O-N 2.79Å; N1302-I1306 VanDerWaalsContact O-N 3.16Å
1303	D	40.8	Very low	44.2	Very low	130 Å²	130	108.6 Å²	108.6	70%	0.695	54%	0.544	S	S	*	.	H	α-helix	trans	-68	-31.2	-166.7	-55.6	-52.8	0	0	0	115	L1305 I1306 N1307	D1303-L1305 VanDerWaalsContact C-N 3.35Å; D1303-I1306 PolarHBondContact O-N 3.1Å; D1303-N1307 PolarHBondContact O-N 3.36Å
1304	Q	44.8	Very low	44.8	Very low	172 Å²	172	103.6 Å²	103.6	80%	0.804	52%	0.522	S	S	*	.	H	α-helix	trans	-64.9	-40.4	172.2	-72.2	178.8	-39.4	0	0	111.5	N1302 I1306 N1307 D1308	N1302-Q1304 PolarHBondContact O-N 3.49Å; Q1304-I1306 VanDerWaalsContact C-N 3.26Å; Q1304-I1306 PolarHBondContact O-N 3.36Å; Q1304-N1307 PolarHBondContact O-N 3.31Å; Q1304-D1308 PolarHBondContact O-N 2.98Å; Q1304-D1308 VanDerWaalsContact O-N 3.15Å
1305	L	46.5	Very low	45.4	Very low	93 Å²	93	102.2 Å²	102.2	49%	0.487	52%	0.515	S	S	.	.	H	α-helix	trans	-65.3	-28.1	175.2	-102.5	161	0	0	0	112.4	N1302 D1303 L1309	N1302-L1305 HydrophobicContact CB-CB 3.92Å; N1302-L1305 HydrophobicContact CB-CD1 3.94Å; N1302-L1305 WeakPolarHBondContact O-CA 3.36Å; N1302-L1305 VanDerWaalsContact O-CB 3.32Å; N1302-L1305 WeakPolarHBondContact O-CB 3.34Å; N1302-L1305 PolarHBondContact O-N 2.9Å; D1303-L1305 VanDerWaalsContact C-N 3.35Å; L1305-L1309 WeakPolarHBondContact O-CB 3.24Å; L1305-L1309 WeakPolarHBondContact O-CD1 3.47Å; L1305-L1309 WeakPolarHBondContact O-CG 3.41Å; L1305-L1309 PolarHBondContact O-N 3.29Å
1306	I	45.1	Very low	46.2	Very low	68 Å²	68	102.4 Å²	102.4	35%	0.349	52%	0.516	S	S	.	.	H	α-helix	trans	-67.8	-43.7	176.5	-66.2	173.7	0	0	0	110.8	N1302 D1303 Q1304 L1309 L1310	N1302-I1306 PolarHBondContact O-N 2.79Å; N1302-I1306 VanDerWaalsContact O-N 3.16Å; D1303-I1306 PolarHBondContact O-N 3.1Å; Q1304-I1306 VanDerWaalsContact C-N 3.26Å; Q1304-I1306 PolarHBondContact O-N 3.36Å; I1306-L1309 PolarHBondContact O-N 3.32Å; I1306-L1310 HydrophobicContact CG2-CD1 3.97Å; I1306-L1310 WeakPolarHBondContact O-CB 3.4Å; I1306-L1310 VanDerWaalsContact O-CG 3.32Å; I1306-L1310 WeakPolarHBondContact O-CG 3.42Å; I1306-L1310 PolarHBondContact O-N 3.38Å
1307	N	45.1	Very low	46.7	Very low	48 Å²	48	97.9 Å²	97.9	26%	0.257	49%	0.488	S	S	.	.	H	α-helix	trans	-68.2	-43.5	177.8	-71.5	-28.7	0	0	0	111.7	D1303 Q1304 L1309 L1310 I1311	D1303-N1307 PolarHBondContact O-N 3.36Å; Q1304-N1307 PolarHBondContact O-N 3.31Å; N1307-L1309 VanDerWaalsContact C-N 3.31Å; N1307-L1309 PolarHBondContact O-N 3.42Å; N1307-L1310 PolarHBondContact O-N 2.74Å; N1307-L1310 VanDerWaalsContact O-N 3.15Å; N1307-I1311 WeakPolarHBondContact O-CB 3.29Å; N1307-I1311 WeakPolarHBondContact O-CG1 3.31Å; N1307-I1311 PolarHBondContact O-N 3.46Å
1308	D	48.5	Very low	47	Very low	95 Å²	95	89.5 Å²	89.5	51%	0.508	45%	0.452	S	S	.	.	H	α-helix	trans	-63.7	-36.1	173.1	-75.7	-19.2	0	0	0	111.7	Q1304 N1312	Q1304-D1308 PolarHBondContact O-N 2.98Å; Q1304-D1308 VanDerWaalsContact O-N 3.15Å; D1308-N1312 WeakPolarHBondContact O-CB 3.34Å; D1308-N1312 PolarHBondContact O-N 3.23Å; D1308-N1312 PolarHBondContact O-ND2 3.5Å
1309	L	46.8	Very low	47.4	Very low	83 Å²	83	90.3 Å²	90.3	44%	0.435	45%	0.45	S	S	.	.	H	α-helix	trans	-69.7	-28.1	173.2	-82.9	164.7	0	0	0	113.4	L1305 I1306 N1307 R1313	L1305-L1309 WeakPolarHBondContact O-CB 3.24Å; L1305-L1309 WeakPolarHBondContact O-CD1 3.47Å; L1305-L1309 WeakPolarHBondContact O-CG 3.41Å; L1305-L1309 PolarHBondContact O-N 3.29Å; I1306-L1309 PolarHBondContact O-N 3.32Å; N1307-L1309 VanDerWaalsContact C-N 3.31Å; N1307-L1309 PolarHBondContact O-N 3.42Å; L1309-R1313 WeakPolarHBondContact O-CB 3.47Å; L1309-R1313 WeakPolarHBondContact O-CD 3.42Å; L1309-R1313 WeakPolarHBondContact O-CG 3.42Å; L1309-R1313 PolarHBondContact O-N 3.5Å
1310	L	43.8	Very low	47.9	Very low	46 Å²	46	89.8 Å²	89.8	24%	0.241	44%	0.443	C	S	.	.	H	α-helix	trans	-79.2	-42.1	175.9	-76.8	168	0	0	0	111.5	I1306 N1307 R1313 F1314 Y1356	I1306-L1310 HydrophobicContact CG2-CD1 3.97Å; I1306-L1310 WeakPolarHBondContact O-CB 3.4Å; I1306-L1310 VanDerWaalsContact O-CG 3.32Å; I1306-L1310 WeakPolarHBondContact O-CG 3.42Å; I1306-L1310 PolarHBondContact O-N 3.38Å; N1307-L1310 PolarHBondContact O-N 2.74Å; N1307-L1310 VanDerWaalsContact O-N 3.15Å; L1310-R1313 PolarHBondContact O-N 3.35Å; L1310-F1314 WeakPolarHBondContact O-CB 3.37Å; L1310-F1314 PolarHBondContact O-N 2.74Å; L1310-Y1356 HydrophobicContact CD2-CD1 4.08Å; L1310-Y1356 HydrophobicContact CD2-CE1 4.07Å
1311	I	50.6	Low	48.6	Very low	49 Å²	49	85 Å²	85	25%	0.251	41%	0.414	S	S	.	.	H	α-helix	trans	-63.4	-47.6	172.4	-69.9	173.7	0	0	0	109.7	N1307 R1313 F1314 F1315	N1307-I1311 WeakPolarHBondContact O-CB 3.29Å; N1307-I1311 WeakPolarHBondContact O-CG1 3.31Å; N1307-I1311 PolarHBondContact O-N 3.46Å; I1311-R1313 PolarHBondContact O-N 2.82Å; I1311-F1314 PolarHBondContact O-N 2.97Å; I1311-F1315 HydrophobicContact CG2-CD2 3.73Å; I1311-F1315 HydrophobicContact CG2-CE2 3.39Å; I1311-F1315 HydrophobicContact CG2-CZ 4.47Å; I1311-F1315 WeakPolarHBondContact O-CD2 3.13Å; I1311-F1315 PolarHBondContact O-N 3.43Å
1312	N	50.9	Low	49.5	Very low	83 Å²	83	80.5 Å²	80.5	44%	0.444	39%	0.393	S	S	.	.	H	α-helix	trans	-63.8	-37.9	174.6	-73.7	-50.8	0	0	0	112.1	D1308 F1314 F1315 D1316	D1308-N1312 WeakPolarHBondContact O-CB 3.34Å; D1308-N1312 PolarHBondContact O-N 3.23Å; D1308-N1312 PolarHBondContact O-ND2 3.5Å; N1312-F1314 PolarHBondContact O-N 2.84Å; N1312-F1315 CarbonylContact O-C 3.41Å; N1312-F1315 PolarHBondContact O-N 3.39Å; N1312-D1316 PolarHBondContact O-N 2.68Å
1313	R	47.4	Very low	50.1	Low	128 Å²	128	78.8 Å²	78.8	48%	0.483	38%	0.384	S	S	.	.	H	α-helix	trans	-69.2	-30.5	173.9	-81	174.5	-177.9	171.9	6.6	114.3	L1309 L1310 I1311 D1316 Y1317	L1309-R1313 WeakPolarHBondContact O-CB 3.47Å; L1309-R1313 WeakPolarHBondContact O-CD 3.42Å; L1309-R1313 WeakPolarHBondContact O-CG 3.42Å; L1309-R1313 PolarHBondContact O-N 3.5Å; L1310-R1313 PolarHBondContact O-N 3.35Å; I1311-R1313 PolarHBondContact O-N 2.82Å; R1313-D1316 WeakPolarHBondContact CA-OD2 3.3Å; R1313-D1316 PolarHBondContact O-N 3.31Å; R1313-Y1317 WeakPolarHBondContact O-CB 3.47Å; R1313-Y1317 PolarHBondContact O-N 3.44Å
1314	F	52.2	Low	50.8	Low	80 Å²	80	73.3 Å²	73.3	35%	0.351	35%	0.354	S	S	.	.	H	α-helix	trans	-67.3	-40.3	170.5	-178	-101.3	0	0	0	110.4	L1310 I1311 N1312 Y1317 L1318	L1310-F1314 WeakPolarHBondContact O-CB 3.37Å; L1310-F1314 PolarHBondContact O-N 2.74Å; I1311-F1314 PolarHBondContact O-N 2.97Å; N1312-F1314 PolarHBondContact O-N 2.84Å; F1314-Y1317 PolarHBondContact O-N 2.71Å; F1314-L1318 HydrophobicContact CD1-CD1 3.95Å; F1314-L1318 HydrophobicContact CE1-CD1 3.55Å; F1314-L1318 HydrophobicContact CE1-CG 4.45Å; F1314-L1318 HydrophobicContact CZ-CD1 4.07Å; F1314-L1318 WeakPolarHBondContact O-CG 3.33Å; F1314-L1318 PolarHBondContact O-N 2.89Å
1315	F	54.7	Low	51.2	Low	12 Å²	12	65.6 Å²	65.6	5%	0.053	32%	0.318	C	S	.	.	H	α-helix	trans	-67.9	-38.2	170.5	-70.1	-55.2	0	0	0	113.2	I1311 N1312 Y1317 L1318 Y1319 L1385 N1388	I1311-F1315 HydrophobicContact CG2-CD2 3.73Å; I1311-F1315 HydrophobicContact CG2-CE2 3.39Å; I1311-F1315 HydrophobicContact CG2-CZ 4.47Å; I1311-F1315 WeakPolarHBondContact O-CD2 3.13Å; I1311-F1315 PolarHBondContact O-N 3.43Å; N1312-F1315 CarbonylContact O-C 3.41Å; N1312-F1315 PolarHBondContact O-N 3.39Å; F1315-Y1317 VanDerWaalsContact C-N 3.31Å; F1315-Y1317 PolarHBondContact O-N 2.83Å; F1315-L1318 HydrophobicContact CD1-CD1 4.33Å; F1315-L1318 CarbonylContact O-C 3.58Å; F1315-L1318 PolarHBondContact O-N 3.32Å; F1315-L1318 VanDerWaalsContact O-N 3.13Å; F1315-Y1319 WeakPolarHBondContact O-CB 3.4Å; F1315-Y1319 WeakPolarHBondContact O-CD2 3.21Å; F1315-Y1319 PolarHBondContact O-N 2.93Å; F1315-L1385 HydrophobicContact CE1-CG 4.09Å; F1315-L1385 HydrophobicContact CZ-CB 4.04Å; F1315-L1385 HydrophobicContact CZ-CG 4.01Å; F1315-N1388 HydrophobicContact CD1-CB 4.49Å; F1315-N1388 VanDerWaalsContact CD2-ND2 3.34Å; F1315-N1388 WeakPolarHBondContact CD2-ND2 3.39Å; F1315-N1388 HydrophobicContact CE1-CB 4.08Å; F1315-N1388 WeakPolarHBondContact CE2-ND2 3.46Å; F1315-N1388 HydrophobicContact CZ-CB 4.15Å; F1315-N1388 WeakPolarHBondContact CZ-ND2 3.16Å
1316	D	55.4	Low	51.6	Low	95 Å²	95	65.1 Å²	65.1	51%	0.508	32%	0.316	S	S	.	.	H	α-helix	trans	-58.3	-45.6	173.8	-67.1	-34	0	0	0	109.6	N1312 R1313 L1318 Y1319 E1320	N1312-D1316 PolarHBondContact O-N 2.68Å; R1313-D1316 WeakPolarHBondContact CA-OD2 3.3Å; R1313-D1316 PolarHBondContact O-N 3.31Å; D1316-L1318 VanDerWaalsContact C-N 3.32Å; D1316-L1318 PolarHBondContact O-N 2.78Å; D1316-Y1319 CarbonylContact O-C 3.59Å; D1316-Y1319 WeakPolarHBondContact O-CB 3.23Å; D1316-Y1319 PolarHBondContact O-N 2.82Å; D1316-Y1319 VanDerWaalsContact O-N 3.17Å; D1316-E1320 PolarHBondContact O-N 3.04Å
1317	Y	53	Low	52.1	Low	51 Å²	51	63.4 Å²	63.4	20%	0.2	31%	0.307	C	S	.	.	H	α-helix	trans	-68.4	-26.8	177.7	-169.2	-103.5	0	0	0	113.2	R1313 F1314 F1315 Y1321	R1313-Y1317 WeakPolarHBondContact O-CB 3.47Å; R1313-Y1317 PolarHBondContact O-N 3.44Å; F1314-Y1317 PolarHBondContact O-N 2.71Å; F1315-Y1317 VanDerWaalsContact C-N 3.31Å; F1315-Y1317 PolarHBondContact O-N 2.83Å; Y1317-Y1321 HydrophobicContact CD2-CE2 4.17Å; Y1317-Y1321 HydrophobicContact CE1-CD2 4.36Å; Y1317-Y1321 HydrophobicContact CE1-CE2 4.25Å; Y1317-Y1321 HydrophobicContact CE2-CD2 4.5Å; Y1317-Y1321 AromaticContact CE2-CE2 3.74Å; Y1317-Y1321 HydrophobicContact CE2-CE2 3.74Å; Y1317-Y1321 AromaticContact CZ-CE2 3.78Å; Y1317-Y1321 VanDerWaalsContact O-CD2 3.24Å; Y1317-Y1321 WeakPolarHBondContact O-CD2 3.05Å
1318	L	53	Low	52.5	Low	16 Å²	16	63.5 Å²	63.5	8%	0.084	31%	0.307	C	S	.	.	H	α-helix	trans	-79.3	-32.8	169	-72.2	173.3	0	0	0	112.4	F1314 F1315 D1316 Y1321 I1324 L1328	F1314-L1318 HydrophobicContact CD1-CD1 3.95Å; F1314-L1318 HydrophobicContact CE1-CD1 3.55Å; F1314-L1318 HydrophobicContact CE1-CG 4.45Å; F1314-L1318 HydrophobicContact CZ-CD1 4.07Å; F1314-L1318 WeakPolarHBondContact O-CG 3.33Å; F1314-L1318 PolarHBondContact O-N 2.89Å; F1315-L1318 HydrophobicContact CD1-CD1 4.33Å; F1315-L1318 CarbonylContact O-C 3.58Å; F1315-L1318 PolarHBondContact O-N 3.32Å; F1315-L1318 VanDerWaalsContact O-N 3.13Å; D1316-L1318 VanDerWaalsContact C-N 3.32Å; D1316-L1318 PolarHBondContact O-N 2.78Å; L1318-Y1321 CarbonylContact O-C 3.49Å; L1318-Y1321 PolarHBondContact O-N 3.46Å; L1318-Y1321 VanDerWaalsContact O-N 3.14Å; L1318-I1324 HydrophobicContact CD2-CG2 4.33Å; L1318-L1328 HydrophobicContact CD2-CD1 3.78Å
1319	Y	53.2	Low	52.6	Low	109 Å²	109	60.1 Å²	60.1	43%	0.427	29%	0.291	S	S	.	.	H	α-helix	trans	-69.3	-33.9	172.7	-101.2	-87.3	0	0	0	111.9	F1315 D1316 Y1321 Y1392	F1315-Y1319 WeakPolarHBondContact O-CB 3.4Å; F1315-Y1319 WeakPolarHBondContact O-CD2 3.21Å; F1315-Y1319 PolarHBondContact O-N 2.93Å; D1316-Y1319 CarbonylContact O-C 3.59Å; D1316-Y1319 WeakPolarHBondContact O-CB 3.23Å; D1316-Y1319 PolarHBondContact O-N 2.82Å; D1316-Y1319 VanDerWaalsContact O-N 3.17Å; Y1319-Y1321 PolarHBondContact O-N 3.23Å; Y1319-Y1392 HydrophobicContact CD1-CE2 4.28Å; Y1319-Y1392 HydrophobicContact CE1-CD2 4.05Å; Y1319-Y1392 HydrophobicContact CE1-CE2 4.08Å; Y1319-Y1392 HydrophobicContact CE2-CD2 4.35Å; Y1319-Y1392 AromaticContact CZ-CD2 3.93Å
1320	E	54.6	Low	52.9	Low	132 Å²	132	58.9 Å²	58.9	62%	0.617	28%	0.284	S	S	*	.	S	Bend	trans	-63.5	-22.2	168.9	-77.8	-168.5	162.2	0	0	112.3	D1316	D1316-E1320 PolarHBondContact O-N 3.04Å
1321	Y	57.9	Low	53.2	Low	48 Å²	48	59 Å²	59	19%	0.188	29%	0.285	C	S	.	.			trans	-129.6	67	-176.4	-60.8	-46.3	0	0	0	112.9	I1241 Y1317 L1318 Y1319 D1323 I1324 H1325	I1241-Y1321 WeakPolarHBondContact CD1-OH 3.13Å; I1241-Y1321 HydrophobicContact CG2-CE1 4.36Å; Y1317-Y1321 HydrophobicContact CD2-CE2 4.17Å; Y1317-Y1321 HydrophobicContact CE1-CD2 4.36Å; Y1317-Y1321 HydrophobicContact CE1-CE2 4.25Å; Y1317-Y1321 HydrophobicContact CE2-CD2 4.5Å; Y1317-Y1321 AromaticContact CE2-CE2 3.74Å; Y1317-Y1321 HydrophobicContact CE2-CE2 3.74Å; Y1317-Y1321 AromaticContact CZ-CE2 3.78Å; Y1317-Y1321 VanDerWaalsContact O-CD2 3.24Å; Y1317-Y1321 WeakPolarHBondContact O-CD2 3.05Å; L1318-Y1321 CarbonylContact O-C 3.49Å; L1318-Y1321 PolarHBondContact O-N 3.46Å; L1318-Y1321 VanDerWaalsContact O-N 3.14Å; Y1319-Y1321 PolarHBondContact O-N 3.23Å; Y1321-D1323 PolarHBondContact O-N 2.99Å; Y1321-D1323 VanDerWaalsContact O-N 3.11Å; Y1321-I1324 HydrophobicContact CD2-CD1 4.17Å; Y1321-I1324 HydrophobicContact CG-CD1 4.05Å; Y1321-I1324 WeakPolarHBondContact O-CA 3.29Å; Y1321-I1324 WeakPolarHBondContact O-CB 3.38Å; Y1321-I1324 PolarHBondContact O-N 3.01Å; Y1321-H1325 PolarHBondContact O-N 3.5Å; Y1321-H1325 VanDerWaalsContact O-N 3.17Å
1322	P	54.5	Low	53.3	Low	50 Å²	50	58.9 Å²	58.9	33%	0.325	28%	0.284	S	S	.	.	H	α-helix	trans	-55.1	-34.5	-179.4	25.3	-36.8	0	0	0	112.7	I1324 H1325 L1326 Y1392	P1322-I1324 VanDerWaalsContact C-N 3.28Å; P1322-I1324 PolarHBondContact O-N 3.36Å; P1322-H1325 CarbonylContact O-C 3.59Å; P1322-H1325 WeakPolarHBondContact O-CA 3.23Å; P1322-H1325 WeakPolarHBondContact O-CB 3.44Å; P1322-H1325 PolarHBondContact O-N 3.19Å; P1322-H1325 VanDerWaalsContact O-N 3.14Å; P1322-L1326 PolarHBondContact O-N 2.91Å; P1322-Y1392 WeakPolarHBondContact CB-OH 3.48Å
1323	D	52.6	Low	53.1	Low	67 Å²	67	58.4 Å²	58.4	36%	0.358	28%	0.279	S	S	.	.	H	α-helix	trans	-59.9	-33.7	175.1	-18.6	-51	0	0	0	113.4	K1245 F1250 Y1321 I1327	K1245-D1323 IonicContact NZ-OD2 2.6Å; K1245-D1323 PolarHBondContact NZ-OD2 3.35Å; F1250-D1323 HydrophobicContact CE1-CB 4Å; F1250-D1323 HydrophobicContact CE2-CB 3.91Å; F1250-D1323 HydrophobicContact CZ-CB 3.28Å; Y1321-D1323 PolarHBondContact O-N 2.99Å; Y1321-D1323 VanDerWaalsContact O-N 3.11Å; D1323-I1327 PolarHBondContact O-N 3.02Å; D1323-I1327 VanDerWaalsContact O-N 3.16Å
1324	I	56.8	Low	53.2	Low	14 Å²	14	57.3 Å²	57.3	7%	0.072	28%	0.276	C	S	.	.	H	α-helix	trans	-78.5	-37.4	176	-60.5	179.4	0	0	0	109.5	L1283 L1318 Y1321 P1322 L1326 I1327 L1328	L1283-I1324 HydrophobicContact CD1-CD1 4.41Å; L1283-I1324 HydrophobicContact CD1-CG2 4.41Å; L1283-I1324 HydrophobicContact CD2-CD1 3.8Å; L1318-I1324 HydrophobicContact CD2-CG2 4.33Å; Y1321-I1324 HydrophobicContact CD2-CD1 4.17Å; Y1321-I1324 HydrophobicContact CG-CD1 4.05Å; Y1321-I1324 WeakPolarHBondContact O-CA 3.29Å; Y1321-I1324 WeakPolarHBondContact O-CB 3.38Å; Y1321-I1324 PolarHBondContact O-N 3.01Å; P1322-I1324 VanDerWaalsContact C-N 3.28Å; P1322-I1324 PolarHBondContact O-N 3.36Å; I1324-L1326 PolarHBondContact O-N 2.64Å; I1324-I1327 PolarHBondContact O-N 2.81Å; I1324-L1328 HydrophobicContact CG2-CD1 4.18Å; I1324-L1328 WeakPolarHBondContact O-CB 3.14Å; I1324-L1328 WeakPolarHBondContact O-CG 3.48Å; I1324-L1328 PolarHBondContact O-N 3.14Å
1325	H	53.8	Low	52.6	Low	10 Å²	10	61.2 Å²	61.2	5%	0.046	29%	0.288	C	S	.	.	H	α-helix	trans	-60	-35.8	172.4	-149.3	-26.8	0	0	0	111.7	Y1321 P1322 S1329	Y1321-H1325 PolarHBondContact O-N 3.5Å; Y1321-H1325 VanDerWaalsContact O-N 3.17Å; P1322-H1325 CarbonylContact O-C 3.59Å; P1322-H1325 WeakPolarHBondContact O-CA 3.23Å; P1322-H1325 WeakPolarHBondContact O-CB 3.44Å; P1322-H1325 PolarHBondContact O-N 3.19Å; P1322-H1325 VanDerWaalsContact O-N 3.14Å; H1325-S1329 PolarHBondContact O-N 2.9Å
1326	L	53.1	Low	52.1	Low	83 Å²	83	69.6 Å²	69.6	44%	0.435	32%	0.321	S	S	.	.	H	α-helix	trans	-67.7	-49	173.6	-169.1	76.2	0	0	0	111.9	P1322 I1324 L1328 S1329 I1330	P1322-L1326 PolarHBondContact O-N 2.91Å; I1324-L1326 PolarHBondContact O-N 2.64Å; L1326-L1328 VanDerWaalsContact C-N 3.29Å; L1326-L1328 PolarHBondContact O-N 3.49Å; L1326-S1329 WeakPolarHBondContact CA-OG 3.46Å; L1326-S1329 PolarHBondContact O-N 3.06Å; L1326-S1329 VanDerWaalsContact O-N 3.11Å; L1326-S1329 PolarHBondContact O-OG 3.35Å; L1326-I1330 HydrophobicContact CG-CD1 4.08Å; L1326-I1330 WeakPolarHBondContact O-CG1 3.36Å; L1326-I1330 PolarHBondContact O-N 3.27Å
1327	I	55.8	Low	51.5	Low	33 Å²	33	69.9 Å²	69.9	17%	0.169	32%	0.319	C	S	.	.	H	α-helix	trans	-56.6	-45.4	174.2	-71.8	172.7	0	0	0	110.5	F1249 F1250 D1323 I1324 I1330 L1331	F1249-I1327 HydrophobicContact CB-CD1 4.31Å; F1250-I1327 HydrophobicContact CD1-CD1 4.17Å; F1250-I1327 HydrophobicContact CE1-CD1 3.42Å; F1250-I1327 VanDerWaalsContact CE1-CD1 3.42Å; F1250-I1327 HydrophobicContact CE1-CG1 3.92Å; F1250-I1327 HydrophobicContact CE2-CD1 4.46Å; F1250-I1327 HydrophobicContact CZ-CD1 3.54Å; F1250-I1327 HydrophobicContact CZ-CG1 4.32Å; D1323-I1327 PolarHBondContact O-N 3.02Å; D1323-I1327 VanDerWaalsContact O-N 3.16Å; I1324-I1327 PolarHBondContact O-N 2.81Å; I1327-I1330 PolarHBondContact O-N 2.68Å; I1327-L1331 HydrophobicContact CG2-CD1 3.91Å; I1327-L1331 WeakPolarHBondContact O-CG 3.31Å; I1327-L1331 PolarHBondContact O-N 3.3Å
1328	L	54.1	Low	51.1	Low	50 Å²	50	69.6 Å²	69.6	26%	0.262	32%	0.321	S	S	.	.	H	α-helix	trans	-60.3	-44.8	175.2	-79.1	165.3	0	0	0	111.5	L1276 L1318 I1324 L1326 I1330 L1331 I1332	L1276-L1328 HydrophobicContact CD2-CD2 4.44Å; L1318-L1328 HydrophobicContact CD2-CD1 3.78Å; I1324-L1328 HydrophobicContact CG2-CD1 4.18Å; I1324-L1328 WeakPolarHBondContact O-CB 3.14Å; I1324-L1328 WeakPolarHBondContact O-CG 3.48Å; I1324-L1328 PolarHBondContact O-N 3.14Å; L1326-L1328 VanDerWaalsContact C-N 3.29Å; L1326-L1328 PolarHBondContact O-N 3.49Å; L1328-I1330 VanDerWaalsContact C-N 3.33Å; L1328-I1330 PolarHBondContact O-N 2.75Å; L1328-L1331 PolarHBondContact O-N 2.86Å; L1328-I1332 HydrophobicContact CB-CD1 4.46Å; L1328-I1332 VanDerWaalsContact O-CB 3.28Å; L1328-I1332 WeakPolarHBondContact O-CB 3.35Å; L1328-I1332 WeakPolarHBondContact O-CD1 3.4Å; L1328-I1332 WeakPolarHBondContact O-CG1 3.29Å; L1328-I1332 PolarHBondContact O-N 2.63Å
1329	S	50.4	Low	50.7	Low	23 Å²	23	74.7 Å²	74.7	16%	0.161	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-35.7	177.3	71	0	0	0	0	113.4	H1325 L1326 I1332 Q1333	H1325-S1329 PolarHBondContact O-N 2.9Å; L1326-S1329 WeakPolarHBondContact CA-OG 3.46Å; L1326-S1329 PolarHBondContact O-N 3.06Å; L1326-S1329 VanDerWaalsContact O-N 3.11Å; L1326-S1329 PolarHBondContact O-OG 3.35Å; S1329-I1332 PolarHBondContact O-N 2.82Å; S1329-Q1333 PolarHBondContact O-N 2.82Å; S1329-Q1333 VanDerWaalsContact O-N 3.16Å
1330	I	53.1	Low	50.3	Low	57 Å²	57	78.3 Å²	78.3	29%	0.292	36%	0.363	S	S	.	.	H	α-helix	trans	-69	-39.3	176.8	-68.8	164.4	0	0	0	110.3	L1326 I1327 L1328 Q1333 I1404	L1326-I1330 HydrophobicContact CG-CD1 4.08Å; L1326-I1330 WeakPolarHBondContact O-CG1 3.36Å; L1326-I1330 PolarHBondContact O-N 3.27Å; I1327-I1330 PolarHBondContact O-N 2.68Å; L1328-I1330 VanDerWaalsContact C-N 3.33Å; L1328-I1330 PolarHBondContact O-N 2.75Å; I1330-Q1333 WeakPolarHBondContact O-CB 3.38Å; I1330-Q1333 PolarHBondContact O-N 3.42Å; I1330-I1404 HydrophobicContact CD1-CD1 4.13Å; I1330-I1404 HydrophobicContact CG1-CD1 4.4Å; I1330-I1404 HydrophobicContact CG2-CD1 4.12Å
1331	L	51.3	Low	49.9	Very low	48 Å²	48	75.5 Å²	75.5	25%	0.251	35%	0.352	S	S	.	.	H	α-helix	trans	-71.6	-33	174.2	-66.7	171.8	0	0	0	112.1	L1276 I1327 L1328 Q1333 Y1334	L1276-L1331 HydrophobicContact CD2-CD1 3.73Å; L1276-L1331 HydrophobicContact CG-CD1 4.47Å; I1327-L1331 HydrophobicContact CG2-CD1 3.91Å; I1327-L1331 WeakPolarHBondContact O-CG 3.31Å; I1327-L1331 PolarHBondContact O-N 3.3Å; L1328-L1331 PolarHBondContact O-N 2.86Å; L1331-Q1333 PolarHBondContact O-N 3.18Å; L1331-Y1334 PolarHBondContact O-N 2.87Å
1332	I	51	Low	49.4	Very low	47 Å²	47	76.3 Å²	76.3	24%	0.241	36%	0.363	C	S	.	.	H	α-helix	trans	-71.1	-13.1	175.7	-71	165.8	0	0	0	112.5	L1328 S1329 Y1334 R1335 L1338 I1389	L1328-I1332 HydrophobicContact CB-CD1 4.46Å; L1328-I1332 VanDerWaalsContact O-CB 3.28Å; L1328-I1332 WeakPolarHBondContact O-CB 3.35Å; L1328-I1332 WeakPolarHBondContact O-CD1 3.4Å; L1328-I1332 WeakPolarHBondContact O-CG1 3.29Å; L1328-I1332 PolarHBondContact O-N 2.63Å; S1329-I1332 PolarHBondContact O-N 2.82Å; I1332-Y1334 CarbonylContact O-C 3.53Å; I1332-Y1334 PolarHBondContact O-N 3.1Å; I1332-Y1334 VanDerWaalsContact O-N 3.12Å; I1332-R1335 PolarHBondContact O-N 2.96Å; I1332-L1338 HydrophobicContact CB-CD1 4.17Å; I1332-L1338 HydrophobicContact CG1-CD1 4.02Å; I1332-L1338 HydrophobicContact CG2-CD1 4.19Å; I1332-I1389 HydrophobicContact CD1-CD1 3.7Å
1333	Q	46.9	Very low	49	Very low	73 Å²	73	81.7 Å²	81.7	34%	0.341	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-8.3	168.7	-73.6	-178.8	-13.2	0	0	113.8	S1329 I1330 L1331 R1335	S1329-Q1333 PolarHBondContact O-N 2.82Å; S1329-Q1333 VanDerWaalsContact O-N 3.16Å; I1330-Q1333 WeakPolarHBondContact O-CB 3.38Å; I1330-Q1333 PolarHBondContact O-N 3.42Å; L1331-Q1333 PolarHBondContact O-N 3.18Å; Q1333-R1335 PolarHBondContact O-N 3.28Å
1334	Y	49.6	Very low	48.9	Very low	106 Å²	106	79.9 Å²	79.9	42%	0.416	37%	0.368	S	S	.	.			trans	-68.5	43.2	156.5	-80.1	-100.1	0	0	0	112.3	I1272 L1331 I1332 Y1336 E1337 L1338	I1272-Y1334 HydrophobicContact CD1-CD1 3.9Å; I1272-Y1334 HydrophobicContact CD1-CD2 4.09Å; I1272-Y1334 HydrophobicContact CD1-CE1 3.77Å; I1272-Y1334 HydrophobicContact CD1-CE2 3.96Å; I1272-Y1334 HydrophobicContact CD1-CG 4.07Å; L1331-Y1334 PolarHBondContact O-N 2.87Å; I1332-Y1334 CarbonylContact O-C 3.53Å; I1332-Y1334 PolarHBondContact O-N 3.1Å; I1332-Y1334 VanDerWaalsContact O-N 3.12Å; Y1334-Y1336 PolarHBondContact O-N 2.97Å; Y1334-E1337 PolarHBondContact O-N 2.98Å; Y1334-L1338 PolarHBondContact O-N 2.71Å; Y1334-L1338 VanDerWaalsContact O-N 3.12Å
1335	R	40.8	Very low	48.5	Very low	162 Å²	162	81 Å²	81	61%	0.611	37%	0.374	S	S	*	.	H	α-helix	trans	-59	-24.3	-173.1	-155	177.9	-166	179.6	6.5	112.5	I1332 Q1333 N1339 E1390	I1332-R1335 PolarHBondContact O-N 2.96Å; Q1333-R1335 PolarHBondContact O-N 3.28Å; R1335-N1339 WeakPolarHBondContact O-CB 3.46Å; R1335-N1339 PolarHBondContact O-N 2.9Å; R1335-N1339 PolarHBondContact O-ND2 3.47Å; R1335-E1390 IonicContact NH2-OE1 3.7Å; R1335-E1390 PolarHBondContact NH2-OE1 2.91Å
1336	Y	42.8	Very low	48.2	Very low	188 Å²	188	81.4 Å²	81.4	74%	0.737	38%	0.376	S	S	*	.	H	α-helix	trans	-76.3	-38.6	177.7	-136.7	-80.6	0	0	0	113	Y1334 Y1340	Y1334-Y1336 PolarHBondContact O-N 2.97Å; Y1336-Y1340 HydrophobicContact CD1-CD2 4.21Å; Y1336-Y1340 HydrophobicContact CD1-CE2 4.35Å; Y1336-Y1340 HydrophobicContact CE1-CD2 4.28Å; Y1336-Y1340 AromaticContact CE1-CE2 3.95Å; Y1336-Y1340 HydrophobicContact CE1-CE2 3.95Å; Y1336-Y1340 WeakPolarHBondContact O-CD2 3.19Å; Y1336-Y1340 PolarHBondContact O-N 2.72Å
1337	E	43.5	Very low	48	Very low	100 Å²	100	80.6 Å²	80.6	47%	0.467	37%	0.372	S	S	.	.	H	α-helix	trans	-84.3	-37.2	-179.6	-66.2	-168.3	152.9	0	0	112	Y1334 N1339 Y1340 N1341	Y1334-E1337 PolarHBondContact O-N 2.98Å; E1337-N1339 VanDerWaalsContact C-N 3.29Å; E1337-N1339 PolarHBondContact O-N 2.88Å; E1337-Y1340 PolarHBondContact O-N 3.32Å; E1337-Y1340 VanDerWaalsContact O-N 3.08Å; E1337-N1341 PolarHBondContact O-N 2.77Å
1338	L	45	Very low	47.7	Very low	45 Å²	45	80.4 Å²	80.4	24%	0.236	37%	0.371	C	S	.	.	H	α-helix	trans	-62.7	-34.7	174.6	-74.7	169.7	0	0	0	112.7	I1332 Y1334 L1344 L1345	I1332-L1338 HydrophobicContact CB-CD1 4.17Å; I1332-L1338 HydrophobicContact CG1-CD1 4.02Å; I1332-L1338 HydrophobicContact CG2-CD1 4.19Å; Y1334-L1338 PolarHBondContact O-N 2.71Å; Y1334-L1338 VanDerWaalsContact O-N 3.12Å; L1338-L1344 HydrophobicContact CD2-CB 4.13Å; L1338-L1345 HydrophobicContact CD2-CB 4.49Å; L1338-L1345 HydrophobicContact CD2-CD1 4.4Å
1339	N	43.9	Very low	47.4	Very low	123 Å²	123	79.3 Å²	79.3	66%	0.658	37%	0.366	S	S	*	.	H	α-helix	trans	-72.2	-26.9	173.1	-77.2	-4.2	0	0	0	113.2	R1335 E1337	R1335-N1339 WeakPolarHBondContact O-CB 3.46Å; R1335-N1339 PolarHBondContact O-N 2.9Å; R1335-N1339 PolarHBondContact O-ND2 3.47Å; E1337-N1339 VanDerWaalsContact C-N 3.29Å; E1337-N1339 PolarHBondContact O-N 2.88Å
1340	Y	45	Very low	47.4	Very low	186 Å²	186	80.7 Å²	80.7	73%	0.729	37%	0.37	S	S	*	.	H	α-helix	trans	-90	-22.6	-179.1	-103.1	-86.4	0	0	0	113.9	Y1336 E1337	Y1336-Y1340 HydrophobicContact CD1-CD2 4.21Å; Y1336-Y1340 HydrophobicContact CD1-CE2 4.35Å; Y1336-Y1340 HydrophobicContact CE1-CD2 4.28Å; Y1336-Y1340 AromaticContact CE1-CE2 3.95Å; Y1336-Y1340 HydrophobicContact CE1-CE2 3.95Å; Y1336-Y1340 WeakPolarHBondContact O-CD2 3.19Å; Y1336-Y1340 PolarHBondContact O-N 2.72Å; E1337-Y1340 PolarHBondContact O-N 3.32Å; E1337-Y1340 VanDerWaalsContact O-N 3.08Å
1341	N	46.4	Very low	47.1	Very low	73 Å²	73	83 Å²	83	39%	0.39	38%	0.38	S	S	.	.			trans	-137.2	82.5	-175.1	-167.8	2.2	0	0	0	112.5	E1337 Y1343 L1344	E1337-N1341 PolarHBondContact O-N 2.77Å; N1341-Y1343 PolarHBondContact O-N 2.79Å; N1341-L1344 HydrophobicContact CB-CD1 4.43Å; N1341-L1344 PolarHBondContact O-N 2.89Å; N1341-L1344 VanDerWaalsContact O-N 3.15Å
1342	P	46.1	Very low	47	Very low	64 Å²	64	82.4 Å²	82.4	42%	0.416	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.8	-177.2	25.1	-34.7	0	0	0	114.1	L1344 N1346	P1342-L1344 VanDerWaalsContact C-N 3.26Å; P1342-L1344 PolarHBondContact O-N 2.68Å; P1342-N1346 VanDerWaalsContact O-CB 3.24Å; P1342-N1346 WeakPolarHBondContact O-CB 3.42Å; P1342-N1346 VanDerWaalsContact O-CG 3.29Å; P1342-N1346 PolarHBondContact O-N 3.24Å; P1342-N1346 PolarHBondContact O-ND2 2.69Å
1343	Y	47.9	Very low	46.5	Very low	163 Å²	163	83.1 Å²	83.1	64%	0.639	38%	0.382	S	S	*	.	H	α-helix	trans	-62.4	-29.5	174.1	-76.3	-86.8	0	0	0	113.5	N1341 N1346 N1347	N1341-Y1343 PolarHBondContact O-N 2.79Å; Y1343-N1346 PolarHBondContact O-N 3.31Å; Y1343-N1347 PolarHBondContact O-N 2.92Å
1344	L	49.3	Very low	46.4	Very low	30 Å²	30	86.1 Å²	86.1	16%	0.157	39%	0.394	C	S	.	.	H	α-helix	trans	-63.8	-46.2	179.1	-90.3	159.9	0	0	0	112.4	Q1273 L1338 N1341 P1342	Q1273-L1344 HydrophobicContact CB-CD2 4.2Å; Q1273-L1344 HydrophobicContact CG-CD2 4.4Å; L1338-L1344 HydrophobicContact CD2-CB 4.13Å; N1341-L1344 HydrophobicContact CB-CD1 4.43Å; N1341-L1344 PolarHBondContact O-N 2.89Å; N1341-L1344 VanDerWaalsContact O-N 3.15Å; P1342-L1344 VanDerWaalsContact C-N 3.26Å; P1342-L1344 PolarHBondContact O-N 2.68Å
1345	L	49.5	Very low	45.9	Very low	36 Å²	36	85.1 Å²	85.1	19%	0.188	39%	0.393	C	S	.	.	H	α-helix	trans	-77	-36.5	176.1	-153.5	78	0	0	0	111.4	L1338 N1347 I1348 I1349 I1382	L1338-L1345 HydrophobicContact CD2-CB 4.49Å; L1338-L1345 HydrophobicContact CD2-CD1 4.4Å; L1345-N1347 PolarHBondContact O-N 3.49Å; L1345-I1348 PolarHBondContact O-N 3.34Å; L1345-I1349 HydrophobicContact CD2-CD1 3.97Å; L1345-I1349 HydrophobicContact CG-CD1 3.96Å; L1345-I1349 WeakPolarHBondContact O-CG1 3.39Å; L1345-I1349 PolarHBondContact O-N 2.91Å; L1345-I1349 VanDerWaalsContact O-N 3.14Å; L1345-I1382 HydrophobicContact CD2-CG1 4.28Å
1346	N	47.4	Very low	45.8	Very low	20 Å²	20	82 Å²	82	11%	0.107	38%	0.382	C	S	.	.	H	α-helix	trans	-61	-38.7	177.6	-83.5	-24.9	0	0	0	112.6	P1342 Y1343 I1348 I1349 I1350 I1378	P1342-N1346 VanDerWaalsContact O-CB 3.24Å; P1342-N1346 WeakPolarHBondContact O-CB 3.42Å; P1342-N1346 VanDerWaalsContact O-CG 3.29Å; P1342-N1346 PolarHBondContact O-N 3.24Å; P1342-N1346 PolarHBondContact O-ND2 2.69Å; Y1343-N1346 PolarHBondContact O-N 3.31Å; N1346-I1348 VanDerWaalsContact C-N 3.3Å; N1346-I1348 PolarHBondContact O-N 3.2Å; N1346-I1349 PolarHBondContact O-N 3.49Å; N1346-I1350 HydrophobicContact CB-CD1 3.92Å; N1346-I1350 WeakPolarHBondContact O-CA 3.31Å; N1346-I1350 WeakPolarHBondContact O-CB 3.32Å; N1346-I1350 WeakPolarHBondContact O-CG1 3.42Å; N1346-I1350 PolarHBondContact O-N 2.91Å; N1346-I1378 VanDerWaalsContact OD1-CG2 3.22Å; N1346-I1378 WeakPolarHBondContact OD1-CG2 3.37Å
1347	N	48.1	Very low	45.7	Very low	65 Å²	65	76.8 Å²	76.8	35%	0.348	37%	0.365	S	S	.	.	H	α-helix	trans	-59.4	-42	178.5	-81.5	-12.7	0	0	0	112.2	Y1343 L1345 H1351	Y1343-N1347 PolarHBondContact O-N 2.92Å; L1345-N1347 PolarHBondContact O-N 3.49Å; N1347-H1351 WeakPolarHBondContact O-CB 3.32Å; N1347-H1351 PolarHBondContact O-N 2.81Å
1348	I	48.8	Very low	45.6	Very low	29 Å²	29	77.8 Å²	77.8	15%	0.149	37%	0.369	C	S	.	.	H	α-helix	trans	-67.9	-45.9	179.9	-63.1	169.1	0	0	0	111	L1276 V1280 L1345 N1346 T1352	L1276-I1348 HydrophobicContact CB-CD1 3.99Å; L1276-I1348 HydrophobicContact CD1-CD1 3.84Å; L1276-I1348 HydrophobicContact CD2-CD1 4.47Å; L1276-I1348 HydrophobicContact CG-CD1 4.32Å; V1280-I1348 HydrophobicContact CG2-CG2 4.07Å; L1345-I1348 PolarHBondContact O-N 3.34Å; N1346-I1348 VanDerWaalsContact C-N 3.3Å; N1346-I1348 PolarHBondContact O-N 3.2Å; I1348-T1352 PolarHBondContact O-N 2.68Å; I1348-T1352 PolarHBondContact O-OG1 3.47Å; I1348-T1352 VanDerWaalsContact O-OG1 3.1Å
1349	I	49.2	Very low	45.3	Very low	28 Å²	28	82.1 Å²	82.1	14%	0.144	39%	0.388	C	S	.	.	H	α-helix	trans	-70.2	-36.8	179.3	-64.3	170.8	0	0	0	111.3	L1345 N1346 T1352 L1353 L1385	L1345-I1349 HydrophobicContact CD2-CD1 3.97Å; L1345-I1349 HydrophobicContact CG-CD1 3.96Å; L1345-I1349 WeakPolarHBondContact O-CG1 3.39Å; L1345-I1349 PolarHBondContact O-N 2.91Å; L1345-I1349 VanDerWaalsContact O-N 3.14Å; N1346-I1349 PolarHBondContact O-N 3.49Å; I1349-T1352 PolarHBondContact O-OG1 3.14Å; I1349-T1352 VanDerWaalsContact O-OG1 3.09Å; I1349-L1353 HydrophobicContact CG2-CD1 3.74Å; I1349-L1353 HydrophobicContact CG2-CG 4.36Å; I1349-L1353 VanDerWaalsContact O-CB 3.3Å; I1349-L1353 WeakPolarHBondContact O-CB 3.41Å; I1349-L1353 VanDerWaalsContact O-CG 3.27Å; I1349-L1353 WeakPolarHBondContact O-CG 3.38Å; I1349-L1353 PolarHBondContact O-N 2.81Å; I1349-L1385 HydrophobicContact CD1-CD1 3.99Å
1350	I	50	Low	45.1	Very low	51 Å²	51	82 Å²	82	26%	0.262	38%	0.383	S	S	.	.	H	α-helix	trans	-75.3	-32.5	-179.9	-68.8	171.7	0	0	0	111.4	N1346 K1354	N1346-I1350 HydrophobicContact CB-CD1 3.92Å; N1346-I1350 WeakPolarHBondContact O-CA 3.31Å; N1346-I1350 WeakPolarHBondContact O-CB 3.32Å; N1346-I1350 WeakPolarHBondContact O-CG1 3.42Å; N1346-I1350 PolarHBondContact O-N 2.91Å; I1350-K1354 HydrophobicContact CG2-CD 3.59Å; I1350-K1354 HydrophobicContact CG2-CG 3.97Å; I1350-K1354 WeakPolarHBondContact O-CB 3.44Å; I1350-K1354 VanDerWaalsContact O-CG 3.24Å; I1350-K1354 WeakPolarHBondContact O-CG 3.28Å; I1350-K1354 PolarHBondContact O-N 3.41Å
1351	H	47.3	Very low	44.6	Very low	106 Å²	106	78.1 Å²	78.1	49%	0.491	37%	0.373	S	S	.	.	H	α-helix	trans	-65.4	-49.3	172.9	-119.3	-79.2	0	0	0	111.2	N1347 L1353 K1354 E1355	N1347-H1351 WeakPolarHBondContact O-CB 3.32Å; N1347-H1351 PolarHBondContact O-N 2.81Å; H1351-L1353 PolarHBondContact O-N 3.06Å; H1351-K1354 PolarHBondContact O-N 3.16Å; H1351-E1355 IonicContact CE1-OE1 3.92Å; H1351-E1355 IonicContact ND1-OE1 3.47Å; H1351-E1355 PolarHBondContact ND1-OE1 3.36Å; H1351-E1355 PolarHBondContact O-N 3.38Å
1352	T	47.7	Very low	43.9	Very low	36 Å²	36	81.7 Å²	81.7	22%	0.221	39%	0.388	C	S	.	.	H	α-helix	trans	-65.6	-37.4	-179.5	52.5	0	0	0	0	112.6	I1348 I1349	I1348-T1352 PolarHBondContact O-N 2.68Å; I1348-T1352 PolarHBondContact O-OG1 3.47Å; I1348-T1352 VanDerWaalsContact O-OG1 3.1Å; I1349-T1352 PolarHBondContact O-OG1 3.14Å; I1349-T1352 VanDerWaalsContact O-OG1 3.09Å
1353	L	40.4	Very low	43.1	Very low	61 Å²	61	84.3 Å²	84.3	32%	0.319	41%	0.405	S	S	.	.	H	α-helix	trans	-74	-39.4	174.3	-70.7	175.8	0	0	0	113.4	I1349 H1351 Y1356 H1357	I1349-L1353 HydrophobicContact CG2-CD1 3.74Å; I1349-L1353 HydrophobicContact CG2-CG 4.36Å; I1349-L1353 VanDerWaalsContact O-CB 3.3Å; I1349-L1353 WeakPolarHBondContact O-CB 3.41Å; I1349-L1353 VanDerWaalsContact O-CG 3.27Å; I1349-L1353 WeakPolarHBondContact O-CG 3.38Å; I1349-L1353 PolarHBondContact O-N 2.81Å; H1351-L1353 PolarHBondContact O-N 3.06Å; L1353-Y1356 PolarHBondContact O-N 3.07Å; L1353-H1357 WeakPolarHBondContact O-CB 3.41Å; L1353-H1357 PolarHBondContact O-CD2 3.1Å; L1353-H1357 PolarHBondContact O-N 3.45Å
1354	K	44.8	Very low	42.3	Very low	137 Å²	137	83 Å²	83	60%	0.596	41%	0.409	S	S	*	.	H	α-helix	trans	-66.5	-41.5	-178.6	-82.2	179.6	177.3	168.8	0	112.9	I1350 H1351 Y1356 H1357 H1358	I1350-K1354 HydrophobicContact CG2-CD 3.59Å; I1350-K1354 HydrophobicContact CG2-CG 3.97Å; I1350-K1354 WeakPolarHBondContact O-CB 3.44Å; I1350-K1354 VanDerWaalsContact O-CG 3.24Å; I1350-K1354 WeakPolarHBondContact O-CG 3.28Å; I1350-K1354 PolarHBondContact O-N 3.41Å; H1351-K1354 PolarHBondContact O-N 3.16Å; K1354-Y1356 PolarHBondContact O-N 3.49Å; K1354-H1357 PolarHBondContact O-N 2.89Å; K1354-H1358 PolarHBondContact O-N 3.02Å
1355	E	40.7	Very low	41.4	Very low	85 Å²	85	87.9 Å²	87.9	40%	0.397	43%	0.434	S	S	.	.	H	α-helix	trans	-65.4	-28.5	179.4	-72.1	-179.7	-165.7	0	0	112.2	H1351	H1351-E1355 IonicContact CE1-OE1 3.92Å; H1351-E1355 IonicContact ND1-OE1 3.47Å; H1351-E1355 PolarHBondContact ND1-OE1 3.36Å; H1351-E1355 PolarHBondContact O-N 3.38Å
1356	Y	37.6	Very low	40.6	Very low	97 Å²	97	94.4 Å²	94.4	38%	0.38	46%	0.464	S	S	.	.	H	α-helix	trans	-80.1	-44.5	171.6	-112.7	-91.1	0	0	0	113.4	L1310 L1353 K1354 H1358 H1359	L1310-Y1356 HydrophobicContact CD2-CD1 4.08Å; L1310-Y1356 HydrophobicContact CD2-CE1 4.07Å; L1353-Y1356 PolarHBondContact O-N 3.07Å; K1354-Y1356 PolarHBondContact O-N 3.49Å; Y1356-H1358 PolarHBondContact O-N 2.84Å; Y1356-H1359 PolarHBondContact O-N 2.86Å
1357	H	41.6	Very low	39.9	Very low	78 Å²	78	101.8 Å²	101.8	36%	0.361	50%	0.498	S	S	.	.	H	α-helix	trans	-64	-39.5	-178.5	-79.5	-57.7	0	0	0	113.1	L1353 K1354 H1359 H1360 I1361	L1353-H1357 WeakPolarHBondContact O-CB 3.41Å; L1353-H1357 PolarHBondContact O-CD2 3.1Å; L1353-H1357 PolarHBondContact O-N 3.45Å; K1354-H1357 PolarHBondContact O-N 2.89Å; H1357-H1359 PolarHBondContact O-N 2.93Å; H1357-H1360 PolarHBondContact O-N 3.25Å; H1357-I1361 WeakPolarHBondContact ND1-CD1 3.43Å; H1357-I1361 PolarHBondContact O-N 2.87Å
1358	H	41.7	Very low	39.2	Very low	120 Å²	120	104.8 Å²	104.8	56%	0.556	52%	0.519	S	S	*	.	H	α-helix	trans	-70.6	-13.5	-179	-111.8	-36.9	0	0	0	114.5	K1354 Y1356 E1362	K1354-H1358 PolarHBondContact O-N 3.02Å; Y1356-H1358 PolarHBondContact O-N 2.84Å; H1358-E1362 IonicContact CE1-OE1 3.67Å; H1358-E1362 IonicContact ND1-OE1 3.34Å
1359	H	38.6	Very low	38.4	Very low	137 Å²	137	110.1 Å²	110.1	63%	0.634	55%	0.553	S	S	*	*	H	α-helix	trans	-102.9	-4.4	-179.6	-79.7	-36.9	0	0	0	114.7	Y1356 H1357	Y1356-H1359 PolarHBondContact O-N 2.86Å; H1357-H1359 PolarHBondContact O-N 2.93Å
1360	H	38.8	Very low	37.7	Very low	121 Å²	121	113 Å²	113	56%	0.56	57%	0.569	S	S	*	*	H	α-helix	trans	-137.8	-3.4	-175.7	-76.9	-67.4	0	0	0	116.9	H1357	H1357-H1360 PolarHBondContact O-N 3.25Å
1361	I	35.4	Very low	37.1	Very low	103 Å²	103	118.6 Å²	118.6	53%	0.528	59%	0.593	S	S	.	*			trans	-129.9	46.5	-178.7	-34.8	-176.7	0	0	0	113.5	H1357	H1357-I1361 WeakPolarHBondContact ND1-CD1 3.43Å; H1357-I1361 PolarHBondContact O-N 2.87Å
1362	E	30.9	Very low	36.7	Very low	148 Å²	148	119.8 Å²	119.8	69%	0.692	60%	0.603	S	S	*	*			trans	-119.3	87.3	158.9	-67.4	-175.9	172.1	0	0	107	H1358	H1358-E1362 IonicContact CE1-OE1 3.67Å; H1358-E1362 IonicContact ND1-OE1 3.34Å
1363	P	30.5	Very low	36.5	Very low	119 Å²	119	122.4 Å²	122.4	77%	0.773	62%	0.616	S	S	*	*	S	Bend		-155.5	94	69.3	37.8	-14.4	0	0	0	115
1364	L	30.1	Very low	36.6	Very low	137 Å²	137	126.5 Å²	126.5	72%	0.717	63%	0.631	S	S	*	*	S	Bend	trans	-142.2	131.8	165.6	-95.9	115.5	0	0	0	113.2
1365	N	31.5	Very low	36.6	Very low	131 Å²	131	123.3 Å²	123.3	70%	0.701	63%	0.626	S	S	*	*			trans	56.5	86.9	163.3	-61.1	-1.7	0	0	0	117.7
1366	E	32.3	Very low	37.1	Very low	173 Å²	173	121.6 Å²	121.6	81%	0.808	62%	0.623	S	S	*	*	S	Bend		-42.4	151.7	124.8	-54.9	177.6	142.9	0	0	110.5
1367	Q	32.3	Very low	37.4	Very low	176 Å²	176	121.8 Å²	121.8	82%	0.822	63%	0.629	S	S	*	*			trans	75.2	78	179.6	-44.7	170	32.1	0	0	116.2
1368	T	33.8	Very low	37.8	Very low	128 Å²	128	120.9 Å²	120.9	79%	0.785	63%	0.626	S	S	*	*			trans	-164.1	129	133.6	7.1	0	0	0	0	110.8
1369	T	30.6	Very low	38.3	Very low	141 Å²	141	120.1 Å²	120.1	87%	0.865	62%	0.622	S	S	*	*			trans	-107.4	84.5	-174.5	50.2	0	0	0	0	111.3
1370	D	35.4	Very low	39.1	Very low	88 Å²	88	117.7 Å²	117.7	47%	0.471	62%	0.618	S	S	.	*			trans	-139.2	87.5	174.2	-87.8	-52.4	0	0	0	111.9	L1372 N1373	D1370-L1372 PolarHBondContact O-N 3.37Å; D1370-N1373 HydrophobicContact CB-CB 4.43Å; D1370-N1373 WeakPolarHBondContact CB-ND2 3.48Å
1371	E	37.9	Very low	39.5	Very low	168 Å²	168	113.3 Å²	113.3	79%	0.785	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-24.5	170.6	-62.1	-166.7	123.1	0	0	112.2	N1373 K1374	E1371-N1373 VanDerWaalsContact C-N 3.28Å; E1371-N1373 PolarHBondContact O-N 3.05Å; E1371-K1374 PolarHBondContact O-N 3.12Å; E1371-K1374 VanDerWaalsContact O-N 3.09Å
1372	L	37.9	Very low	40.4	Very low	132 Å²	132	110.1 Å²	110.1	69%	0.691	58%	0.584	S	S	*	*	H	α-helix	trans	-59	-33.4	175.6	-80.5	157.9	0	0	0	113.5	D1370 K1374 S1375 S1376	D1370-L1372 PolarHBondContact O-N 3.37Å; L1372-K1374 VanDerWaalsContact C-N 3.28Å; L1372-K1374 PolarHBondContact O-N 3.21Å; L1372-S1375 PolarHBondContact O-OG 3.39Å; L1372-S1376 PolarHBondContact O-N 2.84Å
1373	N	43.9	Very low	41.7	Very low	91 Å²	91	108.9 Å²	108.9	49%	0.487	58%	0.576	S	S	.	*	H	α-helix	trans	-72.4	-22.7	178.1	-73.1	-33.7	0	0	0	112.6	D1370 E1371 S1376 M1377	D1370-N1373 HydrophobicContact CB-CB 4.43Å; D1370-N1373 WeakPolarHBondContact CB-ND2 3.48Å; E1371-N1373 VanDerWaalsContact C-N 3.28Å; E1371-N1373 PolarHBondContact O-N 3.05Å; N1373-S1376 PolarHBondContact O-OG 3.23Å; N1373-S1376 VanDerWaalsContact O-OG 3.09Å; N1373-M1377 WeakPolarHBondContact O-CB 3.24Å; N1373-M1377 VanDerWaalsContact O-CG 3.29Å; N1373-M1377 WeakPolarHBondContact O-CG 3.46Å; N1373-M1377 PolarHBondContact O-N 3.38Å; N1373-M1377 VanDerWaalsContact O-N 3.08Å
1374	K	42.2	Very low	42.9	Very low	147 Å²	147	105.7 Å²	105.7	64%	0.639	56%	0.557	S	S	*	*	H	α-helix	trans	-75.1	-37.2	177.8	-68	176.8	-179.2	169.2	0	111.9	E1371 L1372 I1378	E1371-K1374 PolarHBondContact O-N 3.12Å; E1371-K1374 VanDerWaalsContact O-N 3.09Å; L1372-K1374 VanDerWaalsContact C-N 3.28Å; L1372-K1374 PolarHBondContact O-N 3.21Å; K1374-I1378 WeakPolarHBondContact O-CB 3.23Å; K1374-I1378 WeakPolarHBondContact O-CD1 3.48Å; K1374-I1378 VanDerWaalsContact O-CG1 3.26Å; K1374-I1378 WeakPolarHBondContact O-CG1 3.31Å; K1374-I1378 PolarHBondContact O-N 3.06Å; K1374-I1378 VanDerWaalsContact O-N 3.1Å
1375	S	44.7	Very low	43.9	Very low	70 Å²	70	100.5 Å²	100.5	49%	0.49	53%	0.529	S	S	.	.	H	α-helix	trans	-69.3	-41.4	175.6	57.9	0	0	0	0	111.7	L1372 I1378 E1379	L1372-S1375 PolarHBondContact O-OG 3.39Å; S1375-I1378 PolarHBondContact O-N 2.81Å; S1375-E1379 WeakPolarHBondContact O-CB 3.34Å; S1375-E1379 PolarHBondContact O-N 3.12Å
1376	S	52.5	Low	45.1	Very low	49 Å²	49	97.8 Å²	97.8	34%	0.343	51%	0.514	S	S	.	.	H	α-helix	trans	-64.6	-42.4	176.5	65.6	0	0	0	0	112.3	L1372 N1373 I1378 E1379 T1380	L1372-S1376 PolarHBondContact O-N 2.84Å; N1373-S1376 PolarHBondContact O-OG 3.23Å; N1373-S1376 VanDerWaalsContact O-OG 3.09Å; S1376-I1378 VanDerWaalsContact C-N 3.35Å; S1376-I1378 PolarHBondContact O-N 3.06Å; S1376-E1379 PolarHBondContact O-N 3.24Å; S1376-T1380 WeakPolarHBondContact O-CG2 3.12Å; S1376-T1380 PolarHBondContact O-N 3.45Å; S1376-T1380 PolarHBondContact O-OG1 2.82Å; S1376-T1380 VanDerWaalsContact O-OG1 3.12Å
1377	M	42.5	Very low	46.5	Very low	101 Å²	101	94.1 Å²	94.1	50%	0.498	50%	0.497	S	S	.	.	H	α-helix	trans	-63.5	-36.5	174.8	-75.3	-167.7	79.8	0	0	113.2	N1373 T1380 S1381	N1373-M1377 WeakPolarHBondContact O-CB 3.24Å; N1373-M1377 VanDerWaalsContact O-CG 3.29Å; N1373-M1377 WeakPolarHBondContact O-CG 3.46Å; N1373-M1377 PolarHBondContact O-N 3.38Å; N1373-M1377 VanDerWaalsContact O-N 3.08Å; M1377-T1380 WeakPolarHBondContact CA-OG1 3.13Å; M1377-T1380 PolarHBondContact O-OG1 3.23Å; M1377-T1380 VanDerWaalsContact O-OG1 3.1Å; M1377-S1381 VanDerWaalsContact O-CB 3.29Å; M1377-S1381 WeakPolarHBondContact O-CB 3.17Å; M1377-S1381 PolarHBondContact O-N 3.06Å; M1377-S1381 PolarHBondContact O-OG 2.86Å
1378	I	50.2	Low	47.5	Very low	58 Å²	58	88 Å²	88	30%	0.297	47%	0.469	S	S	.	.	H	α-helix	trans	-65	-47.3	172.4	-73.6	166.9	0	0	0	110.1	N1346 K1374 S1375 S1376 T1380 S1381 I1382	N1346-I1378 VanDerWaalsContact OD1-CG2 3.22Å; N1346-I1378 WeakPolarHBondContact OD1-CG2 3.37Å; K1374-I1378 WeakPolarHBondContact O-CB 3.23Å; K1374-I1378 WeakPolarHBondContact O-CD1 3.48Å; K1374-I1378 VanDerWaalsContact O-CG1 3.26Å; K1374-I1378 WeakPolarHBondContact O-CG1 3.31Å; K1374-I1378 PolarHBondContact O-N 3.06Å; K1374-I1378 VanDerWaalsContact O-N 3.1Å; S1375-I1378 PolarHBondContact O-N 2.81Å; S1376-I1378 VanDerWaalsContact C-N 3.35Å; S1376-I1378 PolarHBondContact O-N 3.06Å; I1378-T1380 PolarHBondContact O-N 3.47Å; I1378-S1381 PolarHBondContact O-N 2.92Å; I1378-I1382 HydrophobicContact CG2-CD1 3.71Å; I1378-I1382 HydrophobicContact CG2-CG1 4.41Å; I1378-I1382 VanDerWaalsContact O-CG1 3.3Å; I1378-I1382 WeakPolarHBondContact O-CG1 3.1Å; I1378-I1382 PolarHBondContact O-N 2.87Å
1379	E	52.4	Low	48.4	Very low	104 Å²	104	82.9 Å²	82.9	49%	0.486	44%	0.437	S	S	.	.	H	α-helix	trans	-64.1	-40.4	-179.3	-162.3	-171.3	163.7	0	0	112.3	S1375 S1376 I1382 K1383	S1375-E1379 WeakPolarHBondContact O-CB 3.34Å; S1375-E1379 PolarHBondContact O-N 3.12Å; S1376-E1379 PolarHBondContact O-N 3.24Å; E1379-I1382 PolarHBondContact O-N 2.77Å; E1379-K1383 HydrophobicContact CG-CD 4.4Å; E1379-K1383 WeakPolarHBondContact O-CB 3.47Å; E1379-K1383 VanDerWaalsContact O-CG 3.31Å; E1379-K1383 WeakPolarHBondContact O-CG 3.47Å; E1379-K1383 PolarHBondContact O-N 2.78Å; E1379-K1383 WeakPolarHBondContact OE1-CE 3.36Å; E1379-K1383 IonicContact OE1-NZ 3.65Å; E1379-K1383 PolarHBondContact OE1-NZ 3.08Å
1380	T	54.8	Low	49.7	Very low	87 Å²	87	79.9 Å²	79.9	53%	0.534	41%	0.413	S	S	.	.	H	α-helix	trans	-67.8	-36.8	173.6	53.3	0	0	0	0	112.2	S1376 M1377 I1378 K1383 C1384	S1376-T1380 WeakPolarHBondContact O-CG2 3.12Å; S1376-T1380 PolarHBondContact O-N 3.45Å; S1376-T1380 PolarHBondContact O-OG1 2.82Å; S1376-T1380 VanDerWaalsContact O-OG1 3.12Å; M1377-T1380 WeakPolarHBondContact CA-OG1 3.13Å; M1377-T1380 PolarHBondContact O-OG1 3.23Å; M1377-T1380 VanDerWaalsContact O-OG1 3.1Å; I1378-T1380 PolarHBondContact O-N 3.47Å; T1380-K1383 PolarHBondContact O-N 3.43Å; T1380-C1384 WeakPolarHBondContact O-CB 3.28Å; T1380-C1384 PolarHBondContact O-N 3.19Å
1381	S	48.7	Very low	50.8	Low	28 Å²	28	79.7 Å²	79.7	20%	0.196	41%	0.409	C	S	.	.	H	α-helix	trans	-64	-44.5	175.5	-60.1	0	0	0	0	111.3	M1377 I1378 C1384 L1385	M1377-S1381 VanDerWaalsContact O-CB 3.29Å; M1377-S1381 WeakPolarHBondContact O-CB 3.17Å; M1377-S1381 PolarHBondContact O-N 3.06Å; M1377-S1381 PolarHBondContact O-OG 2.86Å; I1378-S1381 PolarHBondContact O-N 2.92Å; S1381-C1384 PolarHBondContact O-N 3.3Å; S1381-L1385 VanDerWaalsContact O-CB 3.3Å; S1381-L1385 WeakPolarHBondContact O-CB 3.15Å; S1381-L1385 PolarHBondContact O-N 2.94Å
1382	I	53.1	Low	51.5	Low	36 Å²	36	73 Å²	73	19%	0.185	38%	0.377	C	S	.	.	H	α-helix	trans	-63.9	-45.8	176.4	-67.3	170.8	0	0	0	110.6	L1345 I1378 E1379 C1384 L1385 I1386	L1345-I1382 HydrophobicContact CD2-CG1 4.28Å; I1378-I1382 HydrophobicContact CG2-CD1 3.71Å; I1378-I1382 HydrophobicContact CG2-CG1 4.41Å; I1378-I1382 VanDerWaalsContact O-CG1 3.3Å; I1378-I1382 WeakPolarHBondContact O-CG1 3.1Å; I1378-I1382 PolarHBondContact O-N 2.87Å; E1379-I1382 PolarHBondContact O-N 2.77Å; I1382-C1384 PolarHBondContact O-N 3.24Å; I1382-L1385 PolarHBondContact O-N 2.93Å; I1382-I1386 HydrophobicContact CG2-CD1 3.79Å; I1382-I1386 HydrophobicContact CG2-CG1 4.46Å; I1382-I1386 WeakPolarHBondContact O-CG1 3.49Å; I1382-I1386 PolarHBondContact O-N 3.25Å
1383	K	58.8	Low	52.1	Low	122 Å²	122	68.5 Å²	68.5	53%	0.53	35%	0.354	S	S	.	.	H	α-helix	trans	-62.2	-41.3	176.3	-75.2	173.1	-176.3	170.4	0	112.5	E1379 T1380 H1387	E1379-K1383 HydrophobicContact CG-CD 4.4Å; E1379-K1383 WeakPolarHBondContact O-CB 3.47Å; E1379-K1383 VanDerWaalsContact O-CG 3.31Å; E1379-K1383 WeakPolarHBondContact O-CG 3.47Å; E1379-K1383 PolarHBondContact O-N 2.78Å; E1379-K1383 WeakPolarHBondContact OE1-CE 3.36Å; E1379-K1383 IonicContact OE1-NZ 3.65Å; E1379-K1383 PolarHBondContact OE1-NZ 3.08Å; T1380-K1383 PolarHBondContact O-N 3.43Å; K1383-H1387 VanDerWaalsContact O-CB 3.24Å; K1383-H1387 WeakPolarHBondContact O-CB 3.25Å; K1383-H1387 PolarHBondContact O-N 2.97Å
1384	C	54.6	Low	52.9	Low	53 Å²	53	70 Å²	70	36%	0.358	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-40.1	176	-169.8	0	0	0	0	111.6	T1380 S1381 I1382 H1387 N1388	T1380-C1384 WeakPolarHBondContact O-CB 3.28Å; T1380-C1384 PolarHBondContact O-N 3.19Å; S1381-C1384 PolarHBondContact O-N 3.3Å; I1382-C1384 PolarHBondContact O-N 3.24Å; C1384-H1387 PolarHBondContact O-N 3.23Å; C1384-N1388 VanDerWaalsContact O-CB 3.28Å; C1384-N1388 WeakPolarHBondContact O-CB 3.37Å; C1384-N1388 VanDerWaalsContact O-CG 3.28Å; C1384-N1388 PolarHBondContact O-N 3.38Å
1385	L	52.4	Low	53.4	Low	28 Å²	28	70 Å²	70	15%	0.147	36%	0.361	C	S	.	.	H	α-helix	trans	-69.4	-41.6	178.1	-161.5	166.7	0	0	0	112.2	F1315 I1349 S1381 I1382 N1388 I1389	F1315-L1385 HydrophobicContact CE1-CG 4.09Å; F1315-L1385 HydrophobicContact CZ-CB 4.04Å; F1315-L1385 HydrophobicContact CZ-CG 4.01Å; I1349-L1385 HydrophobicContact CD1-CD1 3.99Å; S1381-L1385 VanDerWaalsContact O-CB 3.3Å; S1381-L1385 WeakPolarHBondContact O-CB 3.15Å; S1381-L1385 PolarHBondContact O-N 2.94Å; I1382-L1385 PolarHBondContact O-N 2.93Å; L1385-N1388 PolarHBondContact O-N 2.93Å; L1385-I1389 HydrophobicContact CD2-CD1 3.52Å; L1385-I1389 HydrophobicContact CD2-CG1 4.26Å; L1385-I1389 WeakPolarHBondContact O-CG1 3.41Å; L1385-I1389 PolarHBondContact O-N 2.88Å
1386	I	56.7	Low	53.5	Low	73 Å²	73	70.3 Å²	70.3	37%	0.374	36%	0.357	S	S	.	.	H	α-helix	trans	-62.8	-48.4	171.6	-67.9	168.8	0	0	0	110.4	I1382 N1388 I1389 E1390	I1382-I1386 HydrophobicContact CG2-CD1 3.79Å; I1382-I1386 HydrophobicContact CG2-CG1 4.46Å; I1382-I1386 WeakPolarHBondContact O-CG1 3.49Å; I1382-I1386 PolarHBondContact O-N 3.25Å; I1386-N1388 VanDerWaalsContact C-N 3.32Å; I1386-N1388 PolarHBondContact O-N 3.11Å; I1386-I1389 WeakPolarHBondContact O-CB 3.41Å; I1386-I1389 PolarHBondContact O-N 2.68Å; I1386-I1389 VanDerWaalsContact O-N 3.16Å; I1386-E1390 WeakPolarHBondContact O-CG 3.42Å; I1386-E1390 PolarHBondContact O-N 3.23Å
1387	H	60.3	Low	52.7	Low	97 Å²	97	74.6 Å²	74.6	45%	0.449	38%	0.376	S	S	.	.	H	α-helix	trans	-62.5	-38.8	179.8	-168.5	63.9	0	0	0	111.9	K1383 C1384 E1390 Q1391	K1383-H1387 VanDerWaalsContact O-CB 3.24Å; K1383-H1387 WeakPolarHBondContact O-CB 3.25Å; K1383-H1387 PolarHBondContact O-N 2.97Å; C1384-H1387 PolarHBondContact O-N 3.23Å; H1387-E1390 PolarHBondContact O-N 3.29Å; H1387-Q1391 PolarHBondContact CE1-NE2 2.93Å; H1387-Q1391 PolarHBondContact NE2-NE2 3.44Å; H1387-Q1391 VanDerWaalsContact O-CB 3.29Å; H1387-Q1391 WeakPolarHBondContact O-CB 3.29Å; H1387-Q1391 WeakPolarHBondContact O-CG 3.3Å; H1387-Q1391 PolarHBondContact O-N 3.37Å
1388	N	54	Low	52.5	Low	46 Å²	46	72.4 Å²	72.4	25%	0.246	37%	0.366	C	S	.	.	H	α-helix	trans	-69.1	-33.3	175.6	-76	-12	0	0	0	112.8	F1315 C1384 L1385 I1386 Y1392	F1315-N1388 HydrophobicContact CD1-CB 4.49Å; F1315-N1388 VanDerWaalsContact CD2-ND2 3.34Å; F1315-N1388 WeakPolarHBondContact CD2-ND2 3.39Å; F1315-N1388 HydrophobicContact CE1-CB 4.08Å; F1315-N1388 WeakPolarHBondContact CE2-ND2 3.46Å; F1315-N1388 HydrophobicContact CZ-CB 4.15Å; F1315-N1388 WeakPolarHBondContact CZ-ND2 3.16Å; C1384-N1388 VanDerWaalsContact O-CB 3.28Å; C1384-N1388 WeakPolarHBondContact O-CB 3.37Å; C1384-N1388 VanDerWaalsContact O-CG 3.28Å; C1384-N1388 PolarHBondContact O-N 3.38Å; L1385-N1388 PolarHBondContact O-N 2.93Å; I1386-N1388 VanDerWaalsContact C-N 3.32Å; I1386-N1388 PolarHBondContact O-N 3.11Å; N1388-Y1392 WeakPolarHBondContact O-CB 3.37Å; N1388-Y1392 PolarHBondContact O-N 3.15Å
1389	I	53.9	Low	51.6	Low	21 Å²	21	75.6 Å²	75.6	11%	0.108	38%	0.379	C	S	.	.	H	α-helix	trans	-62.9	-46.6	168.8	-72.5	162.3	0	0	0	110.6	I1332 L1385 I1386 Y1392 N1393	I1332-I1389 HydrophobicContact CD1-CD1 3.7Å; L1385-I1389 HydrophobicContact CD2-CD1 3.52Å; L1385-I1389 HydrophobicContact CD2-CG1 4.26Å; L1385-I1389 WeakPolarHBondContact O-CG1 3.41Å; L1385-I1389 PolarHBondContact O-N 2.88Å; I1386-I1389 WeakPolarHBondContact O-CB 3.41Å; I1386-I1389 PolarHBondContact O-N 2.68Å; I1386-I1389 VanDerWaalsContact O-N 3.16Å; I1389-Y1392 PolarHBondContact O-N 3.36Å; I1389-N1393 VanDerWaalsContact O-CG 3.28Å; I1389-N1393 PolarHBondContact O-N 2.87Å; I1389-N1393 PolarHBondContact O-ND2 2.84Å
1390	E	56.3	Low	50.7	Low	78 Å²	78	74.5 Å²	74.5	36%	0.364	38%	0.376	S	S	.	.	H	α-helix	trans	-65.6	-46.2	-179	-70.5	176.6	161	0	0	111.1	R1335 I1386 H1387 Y1392 N1393 I1394	R1335-E1390 IonicContact NH2-OE1 3.7Å; R1335-E1390 PolarHBondContact NH2-OE1 2.91Å; I1386-E1390 WeakPolarHBondContact O-CG 3.42Å; I1386-E1390 PolarHBondContact O-N 3.23Å; H1387-E1390 PolarHBondContact O-N 3.29Å; E1390-Y1392 VanDerWaalsContact C-N 3.35Å; E1390-Y1392 PolarHBondContact O-N 2.92Å; E1390-N1393 PolarHBondContact O-N 3.45Å; E1390-I1394 WeakPolarHBondContact O-CB 3.41Å; E1390-I1394 WeakPolarHBondContact O-CD1 3.38Å; E1390-I1394 VanDerWaalsContact O-CG1 3.23Å; E1390-I1394 WeakPolarHBondContact O-CG1 3.47Å; E1390-I1394 PolarHBondContact O-N 3.4Å
1391	Q	59.2	Low	49.3	Very low	84 Å²	84	73.3 Å²	73.3	39%	0.393	37%	0.37	S	S	.	.	H	α-helix	trans	-58.2	-41.6	171.5	-71.1	-76.2	1.2	0	0	112.3	H1387 I1394 K1395	H1387-Q1391 PolarHBondContact CE1-NE2 2.93Å; H1387-Q1391 PolarHBondContact NE2-NE2 3.44Å; H1387-Q1391 VanDerWaalsContact O-CB 3.29Å; H1387-Q1391 WeakPolarHBondContact O-CB 3.29Å; H1387-Q1391 WeakPolarHBondContact O-CG 3.3Å; H1387-Q1391 PolarHBondContact O-N 3.37Å; Q1391-I1394 PolarHBondContact O-N 3.38Å; Q1391-K1395 WeakPolarHBondContact O-CB 3.5Å; Q1391-K1395 PolarHBondContact O-N 3.46Å
1392	Y	51.6	Low	48.4	Very low	28 Å²	28	73.3 Å²	73.3	11%	0.11	37%	0.37	C	S	.	.	H	α-helix	trans	-66.6	-39.6	178.6	-175.5	-84.9	0	0	0	112.3	Y1319 P1322 N1388 I1389 E1390 N1396 I1398	Y1319-Y1392 HydrophobicContact CD1-CE2 4.28Å; Y1319-Y1392 HydrophobicContact CE1-CD2 4.05Å; Y1319-Y1392 HydrophobicContact CE1-CE2 4.08Å; Y1319-Y1392 HydrophobicContact CE2-CD2 4.35Å; Y1319-Y1392 AromaticContact CZ-CD2 3.93Å; P1322-Y1392 WeakPolarHBondContact CB-OH 3.48Å; N1388-Y1392 WeakPolarHBondContact O-CB 3.37Å; N1388-Y1392 PolarHBondContact O-N 3.15Å; I1389-Y1392 PolarHBondContact O-N 3.36Å; E1390-Y1392 VanDerWaalsContact C-N 3.35Å; E1390-Y1392 PolarHBondContact O-N 2.92Å; Y1392-N1396 WeakPolarHBondContact CD1-ND2 3.18Å; Y1392-N1396 WeakPolarHBondContact CD2-ND2 3.48Å; Y1392-N1396 VanDerWaalsContact CE1-ND2 3.34Å; Y1392-N1396 WeakPolarHBondContact CE1-ND2 3.35Å; Y1392-N1396 WeakPolarHBondContact CE2-ND2 3.18Å; Y1392-N1396 WeakPolarHBondContact O-CB 3.46Å; Y1392-N1396 PolarHBondContact O-N 2.9Å; Y1392-N1396 PolarHBondContact O-ND2 3.4Å; Y1392-I1398 HydrophobicContact CD1-CD1 4.35Å; Y1392-I1398 HydrophobicContact CE1-CD1 3.95Å
1393	N	52.4	Low	47.2	Very low	37 Å²	37	76.5 Å²	76.5	20%	0.198	39%	0.387	C	S	.	.	H	α-helix	trans	-66.6	-43.5	175.9	-70.5	-28.1	0	0	0	111.7	I1389 E1390 N1397 I1398	I1389-N1393 VanDerWaalsContact O-CG 3.28Å; I1389-N1393 PolarHBondContact O-N 2.87Å; I1389-N1393 PolarHBondContact O-ND2 2.84Å; E1390-N1393 PolarHBondContact O-N 3.45Å; N1393-N1397 PolarHBondContact O-N 3.37Å; N1393-I1398 PolarHBondContact O-N 2.9Å; N1393-I1398 VanDerWaalsContact O-N 3.11Å
1394	I	59.2	Low	46	Very low	124 Å²	124	73.7 Å²	73.7	64%	0.636	38%	0.377	S	S	*	.	H	α-helix	trans	-63.7	-54.1	176.3	-67.5	163.2	0	0	0	110.5	E1390 Q1391 N1396 N1397	E1390-I1394 WeakPolarHBondContact O-CB 3.41Å; E1390-I1394 WeakPolarHBondContact O-CD1 3.38Å; E1390-I1394 VanDerWaalsContact O-CG1 3.23Å; E1390-I1394 WeakPolarHBondContact O-CG1 3.47Å; E1390-I1394 PolarHBondContact O-N 3.4Å; Q1391-I1394 PolarHBondContact O-N 3.38Å; I1394-N1396 VanDerWaalsContact C-N 3.32Å; I1394-N1396 PolarHBondContact O-N 2.92Å; I1394-N1397 PolarHBondContact O-N 3.2Å
1395	K	53.9	Low	44.6	Very low	146 Å²	146	75.2 Å²	75.2	64%	0.635	38%	0.381	S	S	*	.	H	α-helix	trans	-64.2	-31.7	-172.1	-175.7	179.7	179.5	-177.4	0	114	Q1391 N1397	Q1391-K1395 WeakPolarHBondContact O-CB 3.5Å; Q1391-K1395 PolarHBondContact O-N 3.46Å; K1395-N1397 VanDerWaalsContact C-N 3.33Å
1396	N	46.7	Very low	43.5	Very low	77 Å²	77	79.8 Å²	79.8	41%	0.412	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	8.3	177.6	-64.1	-53.5	0	0	0	113	Y1392 I1394 I1398	Y1392-N1396 WeakPolarHBondContact CD1-ND2 3.18Å; Y1392-N1396 WeakPolarHBondContact CD2-ND2 3.48Å; Y1392-N1396 VanDerWaalsContact CE1-ND2 3.34Å; Y1392-N1396 WeakPolarHBondContact CE1-ND2 3.35Å; Y1392-N1396 WeakPolarHBondContact CE2-ND2 3.18Å; Y1392-N1396 WeakPolarHBondContact O-CB 3.46Å; Y1392-N1396 PolarHBondContact O-N 2.9Å; Y1392-N1396 PolarHBondContact O-ND2 3.4Å; I1394-N1396 VanDerWaalsContact C-N 3.32Å; I1394-N1396 PolarHBondContact O-N 2.92Å; N1396-I1398 HydrophobicContact CB-CD1 3.81Å; N1396-I1398 HydrophobicContact CB-CG1 3.72Å; N1396-I1398 PolarHBondContact O-N 2.86Å; N1396-I1398 VanDerWaalsContact O-N 3.15Å
1397	N	34.2	Very low	42.2	Very low	139 Å²	139	83 Å²	83	74%	0.743	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	39.9	-178.1	-150.3	1.7	0	0	0	113.2	N1393 I1394 K1395 Q1399	N1393-N1397 PolarHBondContact O-N 3.37Å; I1394-N1397 PolarHBondContact O-N 3.2Å; K1395-N1397 VanDerWaalsContact C-N 3.33Å; N1397-Q1399 PolarHBondContact O-N 3.18Å
1398	I	38.4	Very low	40.7	Very low	54 Å²	54	81.9 Å²	81.9	28%	0.277	42%	0.415	S	S	.	.			trans	-78.9	89.9	-176.9	-57.3	173.2	0	0	0	107.6	Y1392 N1393 N1396 I1400	Y1392-I1398 HydrophobicContact CD1-CD1 4.35Å; Y1392-I1398 HydrophobicContact CE1-CD1 3.95Å; N1393-I1398 PolarHBondContact O-N 2.9Å; N1393-I1398 VanDerWaalsContact O-N 3.11Å; N1396-I1398 HydrophobicContact CB-CD1 3.81Å; N1396-I1398 HydrophobicContact CB-CG1 3.72Å; N1396-I1398 PolarHBondContact O-N 2.86Å; N1396-I1398 VanDerWaalsContact O-N 3.15Å; I1398-I1400 HydrophobicContact CG2-CG1 4.26Å; I1398-I1400 PolarHBondContact O-N 3.27Å
1399	Q	33.1	Very low	39.4	Very low	125 Å²	125	82.7 Å²	82.7	58%	0.584	42%	0.422	S	S	*	.			trans	-58.5	91.8	154.5	-73.6	-170.6	-3.4	0	0	107.7	N1397 P1401 Y1499	N1397-Q1399 PolarHBondContact O-N 3.18Å; Q1399-P1401 VanDerWaalsContact O-CD 3.27Å; Q1399-P1401 WeakPolarHBondContact O-CD 3.43Å; Q1399-Y1499 PolarHBondContact OE1-OH 3.1Å
1400	I	31.5	Very low	38.3	Very low	82 Å²	82	88.5 Å²	88.5	42%	0.421	46%	0.459	S	S	.	.			trans	-50.7	124.1	-173.7	-67.7	175.3	0	0	0	108.9	I1398 S1402	I1398-I1400 HydrophobicContact CG2-CG1 4.26Å; I1398-I1400 PolarHBondContact O-N 3.27Å; I1400-S1402 PolarHBondContact O-N 2.86Å
1401	P	27.1	Very low	37.3	Very low	61 Å²	61	93.7 Å²	93.7	40%	0.396	48%	0.477	S	S	.	.			trans	-66	103.4	-179.2	-28.7	37.7	0	0	0	114.4	Q1399 L1403 I1404 L1437	Q1399-P1401 VanDerWaalsContact O-CD 3.27Å; Q1399-P1401 WeakPolarHBondContact O-CD 3.43Å; P1401-L1403 HydrophobicContact CB-CB 4.31Å; P1401-L1403 PolarHBondContact O-N 2.95Å; P1401-I1404 PolarHBondContact O-N 3.23Å; P1401-L1437 HydrophobicContact CB-CD2 3.62Å
1402	S	29.3	Very low	35.8	Very low	28 Å²	28	94.1 Å²	94.1	20%	0.196	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-58.6	7.3	164.5	76.3	0	0	0	0	114.8	I1400 I1404 N1405 L1437 S1438	I1400-S1402 PolarHBondContact O-N 2.86Å; S1402-I1404 PolarHBondContact O-N 3.13Å; S1402-N1405 WeakPolarHBondContact O-CB 3.28Å; S1402-N1405 PolarHBondContact O-N 3.13Å; S1402-N1405 VanDerWaalsContact O-N 3.15Å; S1402-L1437 WeakPolarHBondContact OG-CB 3.46Å; S1402-L1437 VanDerWaalsContact OG-CD1 3.26Å; S1402-L1437 WeakPolarHBondContact OG-CD1 3.28Å; S1402-L1437 WeakPolarHBondContact OG-CG 3.39Å; S1402-S1438 WeakPolarHBondContact OG-CB 3.31Å; S1402-S1438 PolarHBondContact OG-N 3.17Å; S1402-S1438 PolarHBondContact OG-OG 2.95Å
1403	L	27.9	Very low	34.8	Very low	104 Å²	104	95.5 Å²	95.5	55%	0.545	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-58.1	-16.2	154.6	-78.9	161.5	0	0	0	112	P1401 L1437	P1401-L1403 HydrophobicContact CB-CB 4.31Å; P1401-L1403 PolarHBondContact O-N 2.95Å; L1403-L1437 HydrophobicContact CD1-CD2 4.23Å; L1403-L1437 HydrophobicContact CG-CD2 4.09Å
1404	I	32.6	Very low	34	Very low	62 Å²	62	97 Å²	97	32%	0.318	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-119.1	65.1	162.1	-47	-177.9	0	0	0	110	I1330 P1401 S1402 F1406	I1330-I1404 HydrophobicContact CD1-CD1 4.13Å; I1330-I1404 HydrophobicContact CG1-CD1 4.4Å; I1330-I1404 HydrophobicContact CG2-CD1 4.12Å; P1401-I1404 PolarHBondContact O-N 3.23Å; S1402-I1404 PolarHBondContact O-N 3.13Å; I1404-F1406 VanDerWaalsContact C-N 3.31Å; I1404-F1406 HydrophobicContact CG2-CD2 3.25Å; I1404-F1406 HydrophobicContact CG2-CE2 3.48Å; I1404-F1406 VanDerWaalsContact CG2-CE2 3.48Å; I1404-F1406 HydrophobicContact CG2-CG 4.12Å; I1404-F1406 HydrophobicContact CG2-CZ 4.5Å; I1404-F1406 PolarHBondContact O-N 3.15Å
1405	N	25.8	Very low	32.7	Very low	86 Å²	86	96.6 Å²	96.6	46%	0.46	50%	0.496	S	S	.	.			trans	-80.8	75.6	171.8	-163.2	-1.3	0	0	0	110.6	S1402 N1407	S1402-N1405 WeakPolarHBondContact O-CB 3.28Å; S1402-N1405 PolarHBondContact O-N 3.13Å; S1402-N1405 VanDerWaalsContact O-N 3.15Å; N1405-N1407 PolarHBondContact O-N 3.12Å; N1405-N1407 PolarHBondContact OD1-ND2 3.04Å
1406	F	29.9	Very low	31.9	Very low	123 Å²	123	95.6 Å²	95.6	54%	0.539	49%	0.494	S	S	.	.			trans	-71.7	45.2	175.7	-90.3	-53.2	0	0	0	113.4	I1404 I1408	I1404-F1406 VanDerWaalsContact C-N 3.31Å; I1404-F1406 HydrophobicContact CG2-CD2 3.25Å; I1404-F1406 HydrophobicContact CG2-CE2 3.48Å; I1404-F1406 VanDerWaalsContact CG2-CE2 3.48Å; I1404-F1406 HydrophobicContact CG2-CG 4.12Å; I1404-F1406 HydrophobicContact CG2-CZ 4.5Å; I1404-F1406 PolarHBondContact O-N 3.15Å; F1406-I1408 VanDerWaalsContact C-N 3.33Å; F1406-I1408 PolarHBondContact O-N 3.16Å
1407	N	28.8	Very low	31.5	Very low	141 Å²	141	96 Å²	96	75%	0.754	49%	0.493	S	S	*	.			trans	-94.6	55.5	168.2	-90.1	-46.8	0	0	0	110.9	N1405	N1405-N1407 PolarHBondContact O-N 3.12Å; N1405-N1407 PolarHBondContact OD1-ND2 3.04Å
1408	I	29.5	Very low	31.4	Very low	74 Å²	74	92.8 Å²	92.8	38%	0.379	48%	0.476	S	S	.	.			trans	-98.4	115.7	171.9	-60.6	179.5	0	0	0	107.9	F1406 L1412	F1406-I1408 VanDerWaalsContact C-N 3.33Å; F1406-I1408 PolarHBondContact O-N 3.16Å; I1408-L1412 HydrophobicContact CG2-CB 3.95Å; I1408-L1412 HydrophobicContact CG2-CD1 4.28Å
1409	P	27.1	Very low	31.2	Very low	62 Å²	62	92.1 Å²	92.1	40%	0.403	47%	0.472	S	S	.	.			trans	-55.6	142.3	176	-29.2	36.4	0	0	0	113.1	Y1411 L1412	P1409-Y1411 HydrophobicContact CB-CD1 3.65Å; P1409-Y1411 HydrophobicContact CB-CE1 3.31Å; P1409-Y1411 HydrophobicContact CG-CE1 4.1Å; P1409-Y1411 PolarHBondContact O-N 3.29Å; P1409-L1412 PolarHBondContact O-N 3.1Å; P1409-L1412 VanDerWaalsContact O-N 3.11Å
1410	T	30.1	Very low	31.4	Very low	144 Å²	144	89.3 Å²	89.3	88%	0.883	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-8.5	-171.8	46.3	0	0	0	0	115.8
1411	Y	35	Very low	31.5	Very low	186 Å²	186	87.3 Å²	87.3	73%	0.729	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.8	177.8	67.3	-97.2	0	0	0	114.9	P1409	P1409-Y1411 HydrophobicContact CB-CD1 3.65Å; P1409-Y1411 HydrophobicContact CB-CE1 3.31Å; P1409-Y1411 HydrophobicContact CG-CE1 4.1Å; P1409-Y1411 PolarHBondContact O-N 3.29Å
1412	L	28.4	Very low	31.7	Very low	94 Å²	94	87.8 Å²	87.8	49%	0.492	45%	0.45	S	S	.	.			trans	-99.3	-9.9	-175.9	-71.7	170.7	0	0	0	115.1	I1408 P1409 T1414	I1408-L1412 HydrophobicContact CG2-CB 3.95Å; I1408-L1412 HydrophobicContact CG2-CD1 4.28Å; P1409-L1412 PolarHBondContact O-N 3.1Å; P1409-L1412 VanDerWaalsContact O-N 3.11Å; L1412-T1414 PolarHBondContact O-N 2.71Å
1413	C	30.8	Very low	31.9	Very low	57 Å²	57	88.5 Å²	88.5	39%	0.385	45%	0.453	S	S	.	.			trans	-76.8	96.2	-170.6	-65.9	0	0	0	0	113
1414	T	34.3	Very low	32.1	Very low	69 Å²	69	87.9 Å²	87.9	42%	0.423	44%	0.444	S	S	.	.			trans	-100.7	133.6	165.1	45.6	0	0	0	0	110.4	T569 L1412 E1416 Q1417	T569-T1414 HydrophobicContact CG2-CG2 4.22Å; L1412-T1414 PolarHBondContact O-N 2.71Å; T1414-E1416 VanDerWaalsContact C-N 3.28Å; T1414-E1416 PolarHBondContact O-N 3.18Å; T1414-Q1417 PolarHBondContact O-N 2.9Å; T1414-Q1417 VanDerWaalsContact O-N 3.14Å
1415	Y	32.3	Very low	32	Very low	114 Å²	114	88.8 Å²	88.8	45%	0.447	45%	0.45	S	S	.	.	H	α-helix	trans	-44.8	-39.9	-165.4	-94.1	-87.1	0	0	0	116.3	L1263 Y1268 Q1417	L1263-Y1415 HydrophobicContact CD2-CE1 4.18Å; Y1268-Y1415 HydrophobicContact CE1-CE1 4.43Å; Y1268-Y1415 HydrophobicContact CE2-CE2 4.35Å; Y1268-Y1415 AromaticContact CZ-CE2 3.87Å; Y1268-Y1415 AromaticContact CZ-CZ 3.63Å; Y1268-Y1415 WeakPolarHBondContact OH-CE2 3.25Å; Y1268-Y1415 VanDerWaalsContact OH-CZ 3.3Å; Y1415-Q1417 PolarHBondContact O-N 3.3Å
1416	E	36.3	Very low	32.2	Very low	126 Å²	126	86.2 Å²	86.2	59%	0.589	44%	0.439	S	S	*	.	H	α-helix	trans	-70.1	-26.2	-173.4	-65.6	-174.2	133.6	0	0	113.9	T1414 N1420	T1414-E1416 VanDerWaalsContact C-N 3.28Å; T1414-E1416 PolarHBondContact O-N 3.18Å; E1416-N1420 WeakPolarHBondContact O-CB 3.09Å; E1416-N1420 PolarHBondContact O-N 3.39Å; E1416-N1420 VanDerWaalsContact O-N 3.17Å; E1416-N1420 PolarHBondContact O-ND2 2.75Å
1417	Q	38.1	Very low	32.2	Very low	85 Å²	85	84.6 Å²	84.6	40%	0.397	44%	0.436	S	S	.	.	H	α-helix	trans	-76.3	-33.4	-172.6	-63.7	-169.1	7.8	0	0	113	T1414 Y1415 N1420 N1421	T1414-Q1417 PolarHBondContact O-N 2.9Å; T1414-Q1417 VanDerWaalsContact O-N 3.14Å; Y1415-Q1417 PolarHBondContact O-N 3.3Å; Q1417-N1420 PolarHBondContact O-N 3.21Å; Q1417-N1421 WeakPolarHBondContact O-CB 3.41Å; Q1417-N1421 PolarHBondContact O-N 3.08Å; Q1417-N1421 PolarHBondContact O-ND2 3.44Å; Q1417-N1421 PolarHBondContact O-OD1 3.35Å
1418	I	33.9	Very low	32.2	Very low	72 Å²	72	81.5 Å²	81.5	37%	0.369	43%	0.425	S	S	.	.	H	α-helix	trans	-65.9	-44.7	178.7	-63.4	172.9	0	0	0	110.3	N1421 L1422	I1418-N1421 PolarHBondContact O-N 3.4Å; I1418-L1422 HydrophobicContact CG2-CD1 4.02Å; I1418-L1422 WeakPolarHBondContact O-CG 3.28Å; I1418-L1422 PolarHBondContact O-N 3.28Å
1419	I	34.4	Very low	32.1	Very low	40 Å²	40	85 Å²	85	21%	0.205	44%	0.442	C	S	.	.	H	α-helix	trans	-66.6	-39.9	178.5	-56.5	176.2	0	0	0	110.9	Q1260 L1263 N1421 L1422 T1423	Q1260-I1419 HydrophobicContact CG-CG2 4.24Å; L1263-I1419 HydrophobicContact CD1-CD1 4.23Å; L1263-I1419 HydrophobicContact CD1-CG1 4.09Å; I1419-N1421 VanDerWaalsContact C-N 3.35Å; I1419-N1421 PolarHBondContact O-N 2.9Å; I1419-L1422 PolarHBondContact O-N 3.18Å; I1419-T1423 HydrophobicContact CG2-CG2 4.37Å; I1419-T1423 WeakPolarHBondContact O-CB 3.48Å; I1419-T1423 WeakPolarHBondContact O-CG2 3.28Å; I1419-T1423 PolarHBondContact O-N 3.06Å; I1419-T1423 VanDerWaalsContact O-N 3.07Å; I1419-T1423 PolarHBondContact O-OG1 2.75Å
1420	N	35.6	Very low	32.1	Very low	65 Å²	65	89.1 Å²	89.1	35%	0.348	47%	0.466	S	S	.	.	H	α-helix	trans	-67.7	-32.2	176.3	-80	-67.3	0	0	0	113	E1416 Q1417 T1423 Y1424	E1416-N1420 WeakPolarHBondContact O-CB 3.09Å; E1416-N1420 PolarHBondContact O-N 3.39Å; E1416-N1420 VanDerWaalsContact O-N 3.17Å; E1416-N1420 PolarHBondContact O-ND2 2.75Å; Q1417-N1420 PolarHBondContact O-N 3.21Å; N1420-T1423 WeakPolarHBondContact CA-OG1 3.25Å; N1420-T1423 PolarHBondContact O-OG1 2.79Å; N1420-Y1424 PolarHBondContact O-N 3.32Å
1421	N	34.2	Very low	31.9	Very low	40 Å²	40	87.1 Å²	87.1	21%	0.214	46%	0.458	C	S	.	.	H	α-helix	trans	-72.5	-39	175.6	-65.6	-8.5	0	0	0	112.2	Q1417 I1418 I1419 T1456 C1457 S1458	Q1417-N1421 WeakPolarHBondContact O-CB 3.41Å; Q1417-N1421 PolarHBondContact O-N 3.08Å; Q1417-N1421 PolarHBondContact O-ND2 3.44Å; Q1417-N1421 PolarHBondContact O-OD1 3.35Å; I1418-N1421 PolarHBondContact O-N 3.4Å; I1419-N1421 VanDerWaalsContact C-N 3.35Å; I1419-N1421 PolarHBondContact O-N 2.9Å; N1421-T1456 PolarHBondContact OD1-O 2.97Å; N1421-C1457 VanDerWaalsContact OD1-CA 3.22Å; N1421-C1457 WeakPolarHBondContact OD1-CA 3.38Å; N1421-S1458 PolarHBondContact OD1-N 2.77Å
1422	L	30.8	Very low	31.5	Very low	71 Å²	71	83.7 Å²	83.7	37%	0.372	45%	0.451	S	S	.	.	H	α-helix	trans	-73.1	-24.8	177.8	-71	170.2	0	0	0	113.5	L1259 I1418 I1419	L1259-L1422 HydrophobicContact CD1-CD1 4.05Å; I1418-L1422 HydrophobicContact CG2-CD1 4.02Å; I1418-L1422 WeakPolarHBondContact O-CG 3.28Å; I1418-L1422 PolarHBondContact O-N 3.28Å; I1419-L1422 PolarHBondContact O-N 3.18Å
1423	T	34.5	Very low	31.3	Very low	44 Å²	44	84.3 Å²	84.3	27%	0.27	46%	0.463	S	S	.	.	H	α-helix	trans	-86.4	-25.1	-178.8	44.6	0	0	0	0	114.7	I1419 N1420	I1419-T1423 HydrophobicContact CG2-CG2 4.37Å; I1419-T1423 WeakPolarHBondContact O-CB 3.48Å; I1419-T1423 WeakPolarHBondContact O-CG2 3.28Å; I1419-T1423 PolarHBondContact O-N 3.06Å; I1419-T1423 VanDerWaalsContact O-N 3.07Å; I1419-T1423 PolarHBondContact O-OG1 2.75Å; N1420-T1423 WeakPolarHBondContact CA-OG1 3.25Å; N1420-T1423 PolarHBondContact O-OG1 2.79Å
1424	Y	31.6	Very low	31	Very low	90 Å²	90	86.1 Å²	86.1	35%	0.353	48%	0.477	S	S	.	.	H	α-helix	trans	-98.3	-6.1	-172.5	-96.6	-85.2	0	0	0	116.6	N1420 I1453	N1420-Y1424 PolarHBondContact O-N 3.32Å; Y1424-I1453 HydrophobicContact CD1-CG2 3.83Å; Y1424-I1453 HydrophobicContact CE1-CG2 4.1Å
1425	N	30.7	Very low	30.6	Very low	81 Å²	81	85.1 Å²	85.1	43%	0.433	47%	0.473	S	S	.	.	S	Bend	trans	-98.8	17.7	-169.3	-137.8	-1.7	0	0	0	114.3	L1455	N1425-L1455 HydrophobicContact CB-CD2 4.01Å
1426	S	30.1	Very low	30.3	Very low	32 Å²	32	80.8 Å²	80.8	22%	0.224	46%	0.458	C	S	.	.			trans	-106.5	-11	-159.4	50.7	0	0	0	0	116.5	F1252 S1428	F1252-S1426 VanDerWaalsContact CD1-CB 3.49Å; F1252-S1426 VanDerWaalsContact CE2-OG 3.23Å; F1252-S1426 WeakPolarHBondContact CE2-OG 3.2Å; F1252-S1426 VanDerWaalsContact CZ-CB 3.42Å; F1252-S1426 WeakPolarHBondContact CZ-OG 3.42Å; S1426-S1428 VanDerWaalsContact C-N 3.33Å
1427	N	30.8	Very low	29.8	Very low	90 Å²	90	76.3 Å²	76.3	48%	0.481	44%	0.438	S	S	.	.	S	Bend	trans	-90.4	11.6	178.4	-76.9	-20.7	0	0	0	113.5
1428	S	27.5	Very low	29.2	Very low	76 Å²	76	74 Å²	74	53%	0.531	43%	0.432	S	S	.	.	S	Bend	trans	-138.5	6.8	-167.4	50.1	0	0	0	0	115.9	S1426	S1426-S1428 VanDerWaalsContact C-N 3.33Å
1429	M	27	Very low	28.9	Very low	147 Å²	147	74.1 Å²	74.1	72%	0.724	44%	0.439	S	S	*	.	S	Bend	trans	-128.5	33.8	-168	-147.6	175.1	-174.6	0	0	116.3
1430	T	28.5	Very low	28.6	Very low	149 Å²	149	74.8 Å²	74.8	91%	0.914	45%	0.447	S	S	*	.	S	Bend	trans	-119.7	10.2	167.6	48	0	0	0	0	114
1431	S	24.9	Very low	28.2	Very low	102 Å²	102	72.4 Å²	72.4	71%	0.713	44%	0.435	S	S	*	.	S	Bend	trans	-148.6	56.3	177.8	65	0	0	0	0	112.7
1432	L	26.1	Very low	27.8	Very low	113 Å²	113	71.8 Å²	71.8	59%	0.592	43%	0.434	S	S	*	.			trans	-156.4	83.2	165.3	-106.7	159.1	0	0	0	110.3	S1434	L1432-S1434 WeakPolarHBondContact CD2-O 3.37Å
1433	S	24.2	Very low	27.7	Very low	107 Å²	107	70.4 Å²	70.4	75%	0.748	43%	0.429	S	S	*	.			trans	-64.2	154.7	140	49	0	0	0	0	109
1434	S	25.2	Very low	27.4	Very low	95 Å²	95	71.8 Å²	71.8	66%	0.664	44%	0.44	S	S	*	.	S	Bend	trans	65.5	118.7	-175.7	38.6	0	0	0	0	117.6	L1432	L1432-S1434 WeakPolarHBondContact CD2-O 3.37Å
1435	S	25.5	Very low	27.2	Very low	49 Å²	49	71.5 Å²	71.5	34%	0.343	45%	0.451	S	S	.	.			trans	60.3	98.1	144.3	58.9	0	0	0	0	123.7
1436	T	27.2	Very low	27	Very low	22 Å²	22	72.2 Å²	72.2	14%	0.135	46%	0.463	C	S	.	.				89.3	173.6	123.1	72.2	0	0	0	0	125	Y1499	T1436-Y1499 HydrophobicContact CG2-CD2 3.76Å; T1436-Y1499 HydrophobicContact CG2-CE1 4.35Å; T1436-Y1499 HydrophobicContact CG2-CE2 3.35Å; T1436-Y1499 HydrophobicContact CG2-CG 4.39Å; T1436-Y1499 VanDerWaalsContact OG1-CA 3.29Å; T1436-Y1499 WeakPolarHBondContact OG1-CA 3.49Å; T1436-Y1499 WeakPolarHBondContact OG1-CB 3.14Å; T1436-Y1499 WeakPolarHBondContact OG1-CD2 3.37Å
1437	L	24.6	Very low	26.9	Very low	32 Å²	32	75.3 Å²	75.3	17%	0.168	48%	0.484	C	S	.	.				-149.9	136.1	-74.6	-81.8	-156.5	0	0	0	118.5	P1401 S1402 L1403	P1401-L1437 HydrophobicContact CB-CD2 3.62Å; S1402-L1437 WeakPolarHBondContact OG-CB 3.46Å; S1402-L1437 VanDerWaalsContact OG-CD1 3.26Å; S1402-L1437 WeakPolarHBondContact OG-CD1 3.28Å; S1402-L1437 WeakPolarHBondContact OG-CG 3.39Å; L1403-L1437 HydrophobicContact CD1-CD2 4.23Å; L1403-L1437 HydrophobicContact CG-CD2 4.09Å
1438	S	26	Very low	26.9	Very low	38 Å²	38	76.1 Å²	76.1	27%	0.266	50%	0.497	S	S	.	.			trans	68.3	122.9	159	29.2	0	0	0	0	124.2	S1402	S1402-S1438 WeakPolarHBondContact OG-CB 3.31Å; S1402-S1438 PolarHBondContact OG-N 3.17Å; S1402-S1438 PolarHBondContact OG-OG 2.95Å
1439	S	27.4	Very low	26.9	Very low	74 Å²	74	74.5 Å²	74.5	52%	0.517	49%	0.486	S	S	.	.				89	103.6	129.8	63.8	0	0	0	0	125.7
1440	S	27.5	Very low	26.8	Very low	53 Å²	53	69 Å²	69	37%	0.371	46%	0.464	S	S	.	.			trans	75.3	-176.5	145.4	74	0	0	0	0	120.3	K1460	S1440-K1460 PolarHBondContact OG-NZ 3.38Å; S1440-K1460 VanDerWaalsContact OG-NZ 3.09Å
1441	S	27.9	Very low	26.7	Very low	15 Å²	15	65.7 Å²	65.7	11%	0.105	45%	0.447	C	S	.	.	B	Isolated β-bridge		-153.3	173.8	-82.3	45.2	0	0	0	0	110.9	S1458 K1460 I1462	S1441-S1458 PolarHBondContact OG-O 2.83Å; S1441-K1460 CarbonylContact C-O 3.52Å; S1441-K1460 VanDerWaalsContact O-O 3.11Å; S1441-K1460 WeakPolarHBondContact OG-CA 3.21Å; S1441-K1460 PolarHBondContact OG-N 3.02Å; S1441-K1460 PolarHBondContact OG-O 2.87Å; S1441-I1462 WeakPolarHBondContact O-CA 3.35Å; S1441-I1462 WeakPolarHBondContact O-CB 3.36Å; S1441-I1462 WeakPolarHBondContact O-CG1 3.4Å; S1441-I1462 PolarHBondContact O-N 3.31Å
1442	S	26.8	Very low	26.8	Very low	28 Å²	28	65 Å²	65	20%	0.196	45%	0.447	C	S	.	.				-177.3	-133.9	53.7	-65.4	0	0	0	0	113.5	R1459 K1460 T1461	S1442-R1459 VanDerWaalsContact O-CZ 3.28Å; S1442-R1459 PolarHBondContact O-NH1 3.32Å; S1442-R1459 WeakPolarHBondContact OG-CA 3.37Å; S1442-R1459 VanDerWaalsContact OG-CB 3.24Å; S1442-R1459 WeakPolarHBondContact OG-CB 3.25Å; S1442-R1459 PolarHBondContact OG-O 2.82Å; S1442-K1460 WeakPolarHBondContact OG-CA 3.18Å; S1442-K1460 PolarHBondContact OG-N 3.27Å; S1442-K1460 PolarHBondContact OG-O 3.42Å; S1442-T1461 VanDerWaalsContact CB-CA 3.42Å; S1442-T1461 WeakPolarHBondContact CB-OG1 3.3Å; S1442-T1461 VanDerWaalsContact OG-CA 3.24Å; S1442-T1461 WeakPolarHBondContact OG-CA 3.19Å; S1442-T1461 PolarHBondContact OG-N 3.18Å; S1442-T1461 VanDerWaalsContact OG-N 3.17Å
1443	T	28.4	Very low	26.7	Very low	41 Å²	41	64.7 Å²	64.7	25%	0.252	45%	0.445	S	S	.	.				-136.5	147.9	-71.9	22.8	0	0	0	0	104.4	R1459 T1461 N1811	T1443-R1459 HydrophobicContact CG2-CB 3.31Å; T1443-R1459 HydrophobicContact CG2-CG 4.25Å; T1443-T1461 WeakPolarHBondContact OG1-CG2 3.35Å; T1443-T1461 PolarHBondContact OG1-OG1 3.29Å; T1443-N1811 PolarHBondContact O-ND2 3.28Å
1444	S	27.4	Very low	26.8	Very low	74 Å²	74	63.2 Å²	63.2	52%	0.517	44%	0.439	S	S	.	.			trans	57.8	158.9	158.7	48.6	0	0	0	0	117.4	N1811	S1444-N1811 PolarHBondContact O-ND2 2.9Å; S1444-N1811 PolarHBondContact O-OD1 3.39Å
1445	S	27.8	Very low	26.7	Very low	83 Å²	83	62.1 Å²	62.1	58%	0.58	43%	0.426	S	S	*	.			cis	-157.3	136.4	-36.5	48.1	0	0	0	0	110.5
1446	S	25.8	Very low	26.8	Very low	97 Å²	97	62.5 Å²	62.5	68%	0.678	43%	0.426	S	S	*	.			trans	65	154.5	176.3	83.4	0	0	0	0	115.1	V1810	S1446-V1810 VanDerWaalsContact O-CG1 3.25Å; S1446-V1810 WeakPolarHBondContact O-CG1 3.3Å
1447	S	28	Very low	26.8	Very low	97 Å²	97	63.7 Å²	63.7	68%	0.678	44%	0.435	S	S	*	.			cis	-138.9	36.6	8	51.4	0	0	0	0	112.5
1448	S	31.7	Very low	26.8	Very low	107 Å²	107	63.6 Å²	63.6	75%	0.748	44%	0.436	S	S	*	.			trans	-83	151.6	-168.4	50.8	0	0	0	0	115.8
1449	S	27	Very low	27.1	Very low	41 Å²	41	65.6 Å²	65.6	29%	0.287	44%	0.438	S	S	.	.			trans	-132.5	163.3	158.2	64.9	0	0	0	0	109.9	P1871 K1873	S1449-P1871 CarbonylContact C-O 3.58Å; S1449-P1871 WeakPolarHBondContact CB-O 3.41Å; S1449-P1871 PolarHBondContact OG-O 3.07Å; S1449-K1873 VanDerWaalsContact OG-CB 3.23Å; S1449-K1873 WeakPolarHBondContact OG-CB 3.26Å; S1449-K1873 VanDerWaalsContact OG-CG 3.25Å; S1449-K1873 WeakPolarHBondContact OG-CG 3.39Å; S1449-K1873 PolarHBondContact OG-N 2.78Å
1450	A	25	Very low	27.3	Very low	33 Å²	33	65.3 Å²	65.3	27%	0.273	43%	0.428	S	S	.	.	S	Bend	trans	102.1	100.4	-167.5	0	0	0	0	0	115.1	A1452 I1870 P1871 L1872	A1450-A1452 PolarHBondContact O-N 3.48Å; A1450-A1452 VanDerWaalsContact O-N 3.14Å; A1450-I1870 HydrophobicContact CB-CB 4.49Å; A1450-I1870 HydrophobicContact CB-CG2 3.64Å; A1450-P1871 HydrophobicContact CB-CG 4.18Å; A1450-P1871 PolarHBondContact N-O 3.24Å; A1450-L1872 HydrophobicContact CB-CG 4.14Å
1451	S	25.8	Very low	27.7	Very low	79 Å²	79	63.8 Å²	63.8	55%	0.552	42%	0.416	S	S	*	.				22.7	75.9	128.2	41.7	0	0	0	0	118.8	I1869 P1871	S1451-I1869 PolarHBondContact OG-O 3.07Å; S1451-P1871 WeakPolarHBondContact OG-CD 3.5Å
1452	A	27.9	Very low	28.5	Very low	87 Å²	87	64.6 Å²	64.6	72%	0.719	42%	0.419	S	S	*	.			trans	-145.5	139.8	149.6	0	0	0	0	0	108.9	A1450	A1450-A1452 PolarHBondContact O-N 3.48Å; A1450-A1452 VanDerWaalsContact O-N 3.14Å
1453	I	23.7	Very low	29.8	Very low	107 Å²	107	65.9 Å²	65.9	55%	0.549	42%	0.422	S	S	.	.			trans	-95.1	118.5	-174.4	-56.5	95.8	0	0	0	109.9	Y1424	Y1424-I1453 HydrophobicContact CD1-CG2 3.83Å; Y1424-I1453 HydrophobicContact CE1-CG2 4.1Å
1454	A	26.2	Very low	31.1	Very low	75 Å²	75	68.3 Å²	68.3	62%	0.62	43%	0.432	S	S	*	.			trans	-157.4	110.5	168.9	0	0	0	0	0	113.5	T1456	A1454-T1456 PolarHBondContact O-N 2.72Å
1455	L	23.9	Very low	32.9	Very low	73 Å²	73	66 Å²	66	38%	0.382	41%	0.414	S	S	.	.			trans	-1.2	98.3	160.1	-74.8	161.9	0	0	0	118.5	N1425 C1457 R1459	N1425-L1455 HydrophobicContact CB-CD2 4.01Å; L1455-C1457 PolarHBondContact O-N 3.29Å; L1455-C1457 VanDerWaalsContact O-N 3.15Å; L1455-R1459 PolarHBondContact O-NH2 3.2Å
1456	T	26.4	Very low	34.7	Very low	56 Å²	56	62.5 Å²	62.5	34%	0.344	39%	0.39	S	S	.	.			trans	-83.1	41.7	158.4	50.3	0	0	0	0	113.2	N1421 A1454 S1458	N1421-T1456 PolarHBondContact OD1-O 2.97Å; A1454-T1456 PolarHBondContact O-N 2.72Å; T1456-S1458 PolarHBondContact O-N 3.13Å
1457	C	26.8	Very low	37	Very low	48 Å²	48	61.4 Å²	61.4	32%	0.324	38%	0.376	S	S	.	.			trans	-42.5	129.7	167	-167.1	0	0	0	0	110.4	N1421 L1455 R1459	N1421-C1457 VanDerWaalsContact OD1-CA 3.22Å; N1421-C1457 WeakPolarHBondContact OD1-CA 3.38Å; L1455-C1457 PolarHBondContact O-N 3.29Å; L1455-C1457 VanDerWaalsContact O-N 3.15Å; C1457-R1459 WeakPolarHBondContact O-CG 3.44Å; C1457-R1459 PolarHBondContact O-NE 2.81Å
1458	S	25.4	Very low	39	Very low	29 Å²	29	57.2 Å²	57.2	20%	0.203	35%	0.347	C	S	.	.	S	Bend	trans	-45.5	143.7	-174.4	57.4	0	0	0	0	114	N1421 S1441 T1456	N1421-S1458 PolarHBondContact OD1-N 2.77Å; S1441-S1458 PolarHBondContact OG-O 2.83Å; T1456-S1458 PolarHBondContact O-N 3.13Å
1459	R	32.4	Very low	40.8	Very low	80 Å²	80	57.3 Å²	57.3	30%	0.302	33%	0.332	S	S	.	.			trans	-120.3	100.7	-136.9	-73	-157.6	151	-153.1	-12	117	S1442 T1443 L1455 C1457 I1484	S1442-R1459 VanDerWaalsContact O-CZ 3.28Å; S1442-R1459 PolarHBondContact O-NH1 3.32Å; S1442-R1459 WeakPolarHBondContact OG-CA 3.37Å; S1442-R1459 VanDerWaalsContact OG-CB 3.24Å; S1442-R1459 WeakPolarHBondContact OG-CB 3.25Å; S1442-R1459 PolarHBondContact OG-O 2.82Å; T1443-R1459 HydrophobicContact CG2-CB 3.31Å; T1443-R1459 HydrophobicContact CG2-CG 4.25Å; L1455-R1459 PolarHBondContact O-NH2 3.2Å; C1457-R1459 WeakPolarHBondContact O-CG 3.44Å; C1457-R1459 PolarHBondContact O-NE 2.81Å; R1459-I1484 VanDerWaalsContact O-CD1 3.26Å; R1459-I1484 WeakPolarHBondContact O-CD1 3.45Å
1460	K	32.7	Very low	42.8	Very low	69 Å²	69	55.5 Å²	55.5	30%	0.3	32%	0.319	S	S	.	.			trans	-101.2	112.5	164.1	-39.6	155	49.1	-83.6	0	112.1	S1440 S1441 S1442 I1462 D1482	S1440-K1460 PolarHBondContact OG-NZ 3.38Å; S1440-K1460 VanDerWaalsContact OG-NZ 3.09Å; S1441-K1460 CarbonylContact C-O 3.52Å; S1441-K1460 VanDerWaalsContact O-O 3.11Å; S1441-K1460 WeakPolarHBondContact OG-CA 3.21Å; S1441-K1460 PolarHBondContact OG-N 3.02Å; S1441-K1460 PolarHBondContact OG-O 2.87Å; S1442-K1460 WeakPolarHBondContact OG-CA 3.18Å; S1442-K1460 PolarHBondContact OG-N 3.27Å; S1442-K1460 PolarHBondContact OG-O 3.42Å; K1460-I1462 PolarHBondContact O-N 2.79Å; K1460-I1462 VanDerWaalsContact O-N 3.13Å; K1460-D1482 WeakPolarHBondContact CB-OD2 3.22Å; K1460-D1482 WeakPolarHBondContact CE-OD2 3.47Å; K1460-D1482 IonicContact NZ-OD2 3.79Å; K1460-D1482 PolarHBondContact NZ-OD2 3.33Å
1461	T	35.5	Very low	44.6	Very low	21 Å²	21	57.9 Å²	57.9	13%	0.129	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-83.9	90.9	-150.4	-40.5	0	0	0	0	117	S1442 T1443 Q1463 Y1481 D1482 L1483	S1442-T1461 VanDerWaalsContact CB-CA 3.42Å; S1442-T1461 WeakPolarHBondContact CB-OG1 3.3Å; S1442-T1461 VanDerWaalsContact OG-CA 3.24Å; S1442-T1461 WeakPolarHBondContact OG-CA 3.19Å; S1442-T1461 PolarHBondContact OG-N 3.18Å; S1442-T1461 VanDerWaalsContact OG-N 3.17Å; T1443-T1461 WeakPolarHBondContact OG1-CG2 3.35Å; T1443-T1461 PolarHBondContact OG1-OG1 3.29Å; T1461-Q1463 PolarHBondContact O-N 2.8Å; T1461-Y1481 VanDerWaalsContact O-O 3.06Å; T1461-D1482 PolarHBondContact N-OD1 3.1Å; T1461-D1482 CarbonylContact O-C 3.58Å; T1461-D1482 WeakPolarHBondContact O-CA 3.39Å; T1461-L1483 HydrophobicContact CG2-CD1 3.93Å; T1461-L1483 WeakPolarHBondContact O-CB 3.32Å; T1461-L1483 PolarHBondContact O-N 3.42Å
1462	I	43.1	Very low	46.4	Very low	31 Å²	31	56.5 Å²	56.5	16%	0.159	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	107.6	176.5	-58.5	-177.3	0	0	0	110.9	S1441 K1460 T1480 Y1481 D1482	S1441-I1462 WeakPolarHBondContact O-CA 3.35Å; S1441-I1462 WeakPolarHBondContact O-CB 3.36Å; S1441-I1462 WeakPolarHBondContact O-CG1 3.4Å; S1441-I1462 PolarHBondContact O-N 3.31Å; K1460-I1462 PolarHBondContact O-N 2.79Å; K1460-I1462 VanDerWaalsContact O-N 3.13Å; I1462-T1480 HydrophobicContact CG2-CG2 3.41Å; I1462-T1480 VanDerWaalsContact CG2-CG2 3.41Å; I1462-Y1481 CarbonylContact C-O 3.5Å; I1462-Y1481 VanDerWaalsContact CA-O 3.32Å; I1462-Y1481 WeakPolarHBondContact CA-O 3.48Å; I1462-D1482 HydrophobicContact CG1-CB 4.43Å
1463	Q	54.9	Low	48.1	Very low	56 Å²	56	58.2 Å²	58.2	26%	0.262	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	119.3	157	-176.3	177.3	-16	0	0	107.5	T1461 N1465 Y1481 L1483	T1461-Q1463 PolarHBondContact O-N 2.8Å; Q1463-N1465 WeakPolarHBondContact CG-OD1 3.33Å; Q1463-N1465 PolarHBondContact O-N 2.85Å; Q1463-N1465 PolarHBondContact O-OD1 3.36Å; Q1463-Y1481 PolarHBondContact N-O 3.38Å; Q1463-Y1481 PolarHBondContact O-N 3.28Å; Q1463-L1483 HydrophobicContact CB-CD1 3.95Å; Q1463-L1483 HydrophobicContact CB-CG 4.45Å
1464	I	56.1	Low	50.2	Low	91 Å²	91	56.1 Å²	56.1	47%	0.467	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	111.1	164.9	-60	171	0	0	0	105.8	I1467 I1478 S1479 T1480	I1464-I1467 HydrophobicContact CG2-CD1 3.84Å; I1464-I1467 HydrophobicContact CG2-CG1 3.52Å; I1464-I1478 HydrophobicContact CG1-CG2 4.41Å; I1464-I1478 HydrophobicContact CG2-CG2 3.77Å; I1464-S1479 CarbonylContact C-O 3.49Å; I1464-S1479 WeakPolarHBondContact CA-O 3.48Å; I1464-T1480 HydrophobicContact CG1-CG2 4.22Å
1465	N	66	Low	52.4	Low	27 Å²	27	53.1 Å²	53.1	14%	0.144	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-39.5	-176.8	-48.5	-38.8	0	0	0	111.4	Q1463 S1479 Y1481 I1513 I1514	Q1463-N1465 WeakPolarHBondContact CG-OD1 3.33Å; Q1463-N1465 PolarHBondContact O-N 2.85Å; Q1463-N1465 PolarHBondContact O-OD1 3.36Å; N1465-S1479 PolarHBondContact N-O 3.41Å; N1465-S1479 PolarHBondContact ND2-OG 2.93Å; N1465-Y1481 WeakPolarHBondContact ND2-CB 3.36Å; N1465-I1513 HydrophobicContact CB-CG2 3.79Å; N1465-I1514 CarbonylContact C-O 3.54Å; N1465-I1514 WeakPolarHBondContact CB-O 3.48Å; N1465-I1514 PolarHBondContact ND2-N 3.26Å
1466	A	64.4	Low	54.9	Low	9 Å²	9	50.9 Å²	50.9	7%	0.074	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	154.1	-175.4	0	0	0	0	0	110.9	S1479 I1514 L1517	A1466-S1479 PolarHBondContact O-N 2.86Å; A1466-I1514 HydrophobicContact CB-CB 4.5Å; A1466-I1514 HydrophobicContact CB-CG2 3.86Å; A1466-I1514 WeakPolarHBondContact CB-O 3.46Å; A1466-L1517 HydrophobicContact CB-CB 4.21Å; A1466-L1517 HydrophobicContact CB-CD1 4.16Å; A1466-L1517 HydrophobicContact CB-CG 3.78Å
1467	I	74.7	Confident	57.2	Low	73 Å²	73	48.2 Å²	48.2	37%	0.374	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	139.3	-179.7	-50	179.4	0	0	0	107.8	I1464 Y1469 L1476 A1477 I1478	I1464-I1467 HydrophobicContact CG2-CD1 3.84Å; I1464-I1467 HydrophobicContact CG2-CG1 3.52Å; I1467-Y1469 HydrophobicContact CG2-CE2 4.32Å; I1467-L1476 HydrophobicContact CG2-CD1 3.48Å; I1467-L1476 VanDerWaalsContact CG2-CD1 3.48Å; I1467-A1477 CarbonylContact C-O 3.48Å; I1467-A1477 WeakPolarHBondContact CA-O 3.36Å; I1467-I1478 HydrophobicContact CG1-CG2 4.42Å
1468	A	68.8	Low	59.7	Low	10 Å²	10	47.1 Å²	47.1	8%	0.083	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	139.1	171.9	0	0	0	0	0	112.2	A1477 L1517	A1468-A1477 PolarHBondContact N-O 3.34Å; A1468-A1477 PolarHBondContact O-N 3.46Å; A1468-L1517 HydrophobicContact CB-CB 3.55Å; A1468-L1517 WeakPolarHBondContact CB-O 3.47Å
1469	Y	71.2	Confident	62.1	Low	108 Å²	108	45.7 Å²	45.7	42%	0.424	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	144.4	175.8	-75.3	-108.1	0	0	0	110.2	I1467 L1476 I1495 W1519	I1467-Y1469 HydrophobicContact CG2-CE2 4.32Å; Y1469-L1476 HydrophobicContact CD1-CD1 4.22Å; Y1469-L1476 HydrophobicContact CD2-CD1 3.7Å; Y1469-L1476 HydrophobicContact CE1-CD1 4.09Å; Y1469-L1476 HydrophobicContact CE2-CD1 3.52Å; Y1469-L1476 HydrophobicContact CG-CD1 4.03Å; Y1469-I1495 HydrophobicContact CD1-CD1 3.51Å; Y1469-I1495 HydrophobicContact CE1-CD1 3.37Å; Y1469-W1519 VanDerWaalsContact O-CB 3.31Å; Y1469-W1519 WeakPolarHBondContact O-CB 3.34Å
1470	S	69.1	Low	64.1	Low	3 Å²	3	42.3 Å²	42.3	2%	0.021	21%	0.209	C	C	.	.			trans	-61.4	151	164.2	58.3	0	0	0	0	111.6	T1472 K1473 Q1474 Y1475 W1519	S1470-T1472 PolarHBondContact O-N 2.89Å; S1470-T1472 VanDerWaalsContact O-N 3.16Å; S1470-T1472 PolarHBondContact OG-OG1 3.01Å; S1470-K1473 WeakPolarHBondContact O-CA 3.19Å; S1470-K1473 PolarHBondContact O-N 3.26Å; S1470-K1473 PolarHBondContact OG-N 2.83Å; S1470-Q1474 PolarHBondContact OG-N 2.98Å; S1470-Y1475 PolarHBondContact N-O 2.89Å; S1470-Y1475 PolarHBondContact OG-N 3.15Å; S1470-Y1475 PolarHBondContact OG-O 3.44Å; S1470-Y1475 VanDerWaalsContact OG-O 3.05Å; S1470-W1519 VanDerWaalsContact CA-CE3 3.44Å; S1470-W1519 VanDerWaalsContact CB-CZ3 3.4Å
1471	N	60.9	Low	65.8	Low	83 Å²	83	39.4 Å²	39.4	44%	0.444	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-35.8	177.6	-69	18.9	0	0	0	112.7	K1473 G1521	N1471-K1473 PolarHBondContact O-N 3.14Å; N1471-G1521 PolarHBondContact ND2-O 3.27Å
1472	T	64.4	Low	67.3	Low	51 Å²	51	38.5 Å²	38.5	31%	0.313	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.4	174.8	68.2	0	0	0	0	114.5	S1470 Q1474 D1524	S1470-T1472 PolarHBondContact O-N 2.89Å; S1470-T1472 VanDerWaalsContact O-N 3.16Å; S1470-T1472 PolarHBondContact OG-OG1 3.01Å; T1472-Q1474 PolarHBondContact O-N 2.89Å; T1472-Q1474 WeakPolarHBondContact OG1-CB 3.34Å; T1472-Q1474 PolarHBondContact OG1-N 3.43Å; T1472-Q1474 VanDerWaalsContact OG1-N 3.07Å; T1472-D1524 WeakPolarHBondContact CB-OD1 3.49Å; T1472-D1524 WeakPolarHBondContact CG2-OD1 3.28Å; T1472-D1524 PolarHBondContact OG1-OD1 2.88Å
1473	K	63.5	Low	67.8	Low	122 Å²	122	40.4 Å²	40.4	53%	0.53	20%	0.2	S	C	.	.	S	Bend	trans	55.2	17.5	-167.1	-61.4	157	-171.5	154.5	0	114.8	S1470 N1471 I1495	S1470-K1473 WeakPolarHBondContact O-CA 3.19Å; S1470-K1473 PolarHBondContact O-N 3.26Å; S1470-K1473 PolarHBondContact OG-N 2.83Å; N1471-K1473 PolarHBondContact O-N 3.14Å; K1473-I1495 VanDerWaalsContact O-CD1 3.29Å; K1473-I1495 WeakPolarHBondContact O-CD1 3.37Å
1474	Q	67.8	Low	67.8	Low	63 Å²	63	42 Å²	42	29%	0.294	21%	0.21	S	C	.	.	S	Bend	trans	-78.1	-25.3	172.8	-63.6	-158	77	0	0	113	S1470 T1472 N1494 I1495 N1496 D1524	S1470-Q1474 PolarHBondContact OG-N 2.98Å; T1472-Q1474 PolarHBondContact O-N 2.89Å; T1472-Q1474 WeakPolarHBondContact OG1-CB 3.34Å; T1472-Q1474 PolarHBondContact OG1-N 3.43Å; T1472-Q1474 VanDerWaalsContact OG1-N 3.07Å; Q1474-N1494 CarbonylContact O-C 3.52Å; Q1474-N1494 VanDerWaalsContact O-CA 3.29Å; Q1474-N1494 WeakPolarHBondContact O-CA 3.23Å; Q1474-I1495 PolarHBondContact O-N 2.87Å; Q1474-N1496 WeakPolarHBondContact CG-ND2 3.47Å; Q1474-N1496 PolarHBondContact OE1-ND2 3.18Å; Q1474-D1524 PolarHBondContact NE2-OD2 3.46Å
1475	Y	71.5	Confident	68	Low	12 Å²	12	41.9 Å²	41.9	5%	0.047	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.6	-175.4	-56.9	-102.9	0	0	0	111.6	S1470 I1492 W1493 L1501 W1519 D1524 L1544 N1545	S1470-Y1475 PolarHBondContact N-O 2.89Å; S1470-Y1475 PolarHBondContact OG-N 3.15Å; S1470-Y1475 PolarHBondContact OG-O 3.44Å; S1470-Y1475 VanDerWaalsContact OG-O 3.05Å; Y1475-I1492 HydrophobicContact CD1-CG2 4.38Å; Y1475-W1493 CarbonylContact C-O 3.58Å; Y1475-W1493 VanDerWaalsContact CA-O 3.29Å; Y1475-W1493 WeakPolarHBondContact CA-O 3.29Å; Y1475-L1501 HydrophobicContact CD1-CD1 3.38Å; Y1475-L1501 HydrophobicContact CE1-CD1 3.25Å; Y1475-W1519 HydrophobicContact CD2-CH2 4.41Å; Y1475-W1519 HydrophobicContact CG-CH2 4.01Å; Y1475-W1519 HydrophobicContact CG-CZ2 4.39Å; Y1475-D1524 HydrophobicContact CD2-CB 4.02Å; Y1475-D1524 VanDerWaalsContact CD2-OD1 3.26Å; Y1475-D1524 WeakPolarHBondContact CD2-OD1 3.14Å; Y1475-D1524 HydrophobicContact CE2-CB 3.54Å; Y1475-D1524 WeakPolarHBondContact CE2-OD1 3.07Å; Y1475-L1544 HydrophobicContact CD1-CD1 3.76Å; Y1475-L1544 HydrophobicContact CD1-CD2 4.44Å; Y1475-L1544 HydrophobicContact CD1-CG 4.47Å; Y1475-L1544 HydrophobicContact CE1-CB 3.76Å; Y1475-L1544 HydrophobicContact CE1-CD1 3.87Å; Y1475-L1544 HydrophobicContact CE1-CD2 4.15Å; Y1475-L1544 HydrophobicContact CE1-CG 4.14Å; Y1475-L1544 HydrophobicContact CG-CD1 4.26Å; Y1475-N1545 PolarHBondContact OH-OD1 2.96Å
1476	L	77.2	Confident	67.8	Low	26 Å²	26	47.5 Å²	47.5	14%	0.136	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	113.3	-177.5	172.7	60.1	0	0	0	109.8	I1467 Y1469 I1478 I1492 W1493 I1495	I1467-L1476 HydrophobicContact CG2-CD1 3.48Å; I1467-L1476 VanDerWaalsContact CG2-CD1 3.48Å; Y1469-L1476 HydrophobicContact CD1-CD1 4.22Å; Y1469-L1476 HydrophobicContact CD2-CD1 3.7Å; Y1469-L1476 HydrophobicContact CE1-CD1 4.09Å; Y1469-L1476 HydrophobicContact CE2-CD1 3.52Å; Y1469-L1476 HydrophobicContact CG-CD1 4.03Å; L1476-I1478 HydrophobicContact CD1-CG1 4.37Å; L1476-I1478 HydrophobicContact CD2-CD1 4.01Å; L1476-I1478 HydrophobicContact CD2-CG1 4.29Å; L1476-I1478 HydrophobicContact CG-CD1 4.15Å; L1476-I1478 HydrophobicContact CG-CG1 3.88Å; L1476-I1492 CarbonylContact O-C 3.6Å; L1476-I1492 WeakPolarHBondContact O-CA 3.38Å; L1476-W1493 HydrophobicContact CB-CB 4.32Å; L1476-W1493 PolarHBondContact N-O 3.33Å; L1476-W1493 PolarHBondContact O-N 3Å; L1476-I1495 HydrophobicContact CB-CD1 3.73Å; L1476-I1495 HydrophobicContact CB-CG1 3.85Å
1477	A	75.3	Confident	67.8	Low	0 Å²	0	49 Å²	49	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.2	170.8	0	0	0	0	0	110.8	I1467 A1468 E1491 I1492 L1517 L1528	I1467-A1477 CarbonylContact C-O 3.48Å; I1467-A1477 WeakPolarHBondContact CA-O 3.36Å; A1468-A1477 PolarHBondContact N-O 3.34Å; A1468-A1477 PolarHBondContact O-N 3.46Å; A1477-E1491 CarbonylContact C-O 3.1Å; A1477-E1491 VanDerWaalsContact CA-O 3.24Å; A1477-E1491 WeakPolarHBondContact CA-O 3.25Å; A1477-I1492 HydrophobicContact CB-CG1 4.18Å; A1477-L1517 HydrophobicContact CB-CD1 4.1Å; A1477-L1528 HydrophobicContact CB-CD1 3.67Å; A1477-L1528 HydrophobicContact CB-CD2 4.02Å
1478	I	78.2	Confident	67.5	Low	25 Å²	25	45.9 Å²	45.9	13%	0.128	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	128.1	179.7	-43.4	180	0	0	0	108.9	I1464 I1467 L1476 T1480 E1491	I1464-I1478 HydrophobicContact CG1-CG2 4.41Å; I1464-I1478 HydrophobicContact CG2-CG2 3.77Å; I1467-I1478 HydrophobicContact CG1-CG2 4.42Å; L1476-I1478 HydrophobicContact CD1-CG1 4.37Å; L1476-I1478 HydrophobicContact CD2-CD1 4.01Å; L1476-I1478 HydrophobicContact CD2-CG1 4.29Å; L1476-I1478 HydrophobicContact CG-CD1 4.15Å; L1476-I1478 HydrophobicContact CG-CG1 3.88Å; I1478-T1480 HydrophobicContact CG2-CG2 3.84Å; I1478-E1491 HydrophobicContact CB-CB 4.38Å; I1478-E1491 PolarHBondContact N-O 3.48Å; I1478-E1491 PolarHBondContact O-N 2.77Å
1479	S	76.7	Confident	67.7	Low	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115.9	167.7	163.1	0	0	0	0	110.2	I1464 N1465 A1466 I1489 I1514	I1464-S1479 CarbonylContact C-O 3.49Å; I1464-S1479 WeakPolarHBondContact CA-O 3.48Å; N1465-S1479 PolarHBondContact N-O 3.41Å; N1465-S1479 PolarHBondContact ND2-OG 2.93Å; A1466-S1479 PolarHBondContact O-N 2.86Å; S1479-I1489 CarbonylContact C-O 3.57Å; S1479-I1489 WeakPolarHBondContact CA-O 3.48Å; S1479-I1514 WeakPolarHBondContact OG-CB 3.36Å
1480	T	73.9	Confident	68	Low	9 Å²	9	41.3 Å²	41.3	6%	0.055	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	97.2	-176.5	37.2	0	0	0	0	111.1	I1462 I1464 I1478 I1489 E1491	I1462-T1480 HydrophobicContact CG2-CG2 3.41Å; I1462-T1480 VanDerWaalsContact CG2-CG2 3.41Å; I1464-T1480 HydrophobicContact CG1-CG2 4.22Å; I1478-T1480 HydrophobicContact CG2-CG2 3.84Å; T1480-I1489 PolarHBondContact N-O 3.08Å; T1480-I1489 WeakPolarHBondContact O-CB 3.3Å; T1480-I1489 PolarHBondContact O-N 2.91Å; T1480-I1489 WeakPolarHBondContact OG1-CB 3.41Å; T1480-I1489 PolarHBondContact OG1-O 3.38Å; T1480-E1491 WeakPolarHBondContact OG1-CG 3.33Å; T1480-E1491 PolarHBondContact OG1-OE1 3.45Å
1481	Y	68.1	Low	68.4	Low	8 Å²	8	41.9 Å²	41.9	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	112.3	178.9	173.2	-112.3	0	0	0	112.6	T1461 I1462 Q1463 N1465 L1483 Y1486 I1487 T1488 I1513	T1461-Y1481 VanDerWaalsContact O-O 3.06Å; I1462-Y1481 CarbonylContact C-O 3.5Å; I1462-Y1481 VanDerWaalsContact CA-O 3.32Å; I1462-Y1481 WeakPolarHBondContact CA-O 3.48Å; Q1463-Y1481 PolarHBondContact N-O 3.38Å; Q1463-Y1481 PolarHBondContact O-N 3.28Å; N1465-Y1481 WeakPolarHBondContact ND2-CB 3.36Å; Y1481-L1483 HydrophobicContact CD1-CD2 4.01Å; Y1481-L1483 HydrophobicContact CD1-CG 3.92Å; Y1481-L1483 HydrophobicContact CE1-CD2 3.56Å; Y1481-L1483 HydrophobicContact CE1-CG 3.89Å; Y1481-L1483 PolarHBondContact O-N 2.94Å; Y1481-Y1486 VanDerWaalsContact CE2-C 3.49Å; Y1481-Y1486 WeakPolarHBondContact OH-CD1 3.21Å; Y1481-I1487 CarbonylContact C-O 3.56Å; Y1481-I1487 WeakPolarHBondContact CA-O 3.41Å; Y1481-T1488 VanDerWaalsContact CD2-OG1 3.29Å; Y1481-T1488 WeakPolarHBondContact CD2-OG1 3.34Å; Y1481-I1513 HydrophobicContact CD1-CG1 4.12Å; Y1481-I1513 HydrophobicContact CE1-CD1 4.47Å; Y1481-I1513 HydrophobicContact CE1-CG1 4.18Å
1482	D	66.4	Low	69.1	Low	2 Å²	2	38 Å²	38	1%	0.011	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	96.8	176.9	-171.2	-40.6	0	0	0	110.5	K1460 T1461 I1462 I1484 H1485 Y1486 I1487	K1460-D1482 WeakPolarHBondContact CB-OD2 3.22Å; K1460-D1482 WeakPolarHBondContact CE-OD2 3.47Å; K1460-D1482 IonicContact NZ-OD2 3.79Å; K1460-D1482 PolarHBondContact NZ-OD2 3.33Å; T1461-D1482 PolarHBondContact N-OD1 3.1Å; T1461-D1482 CarbonylContact O-C 3.58Å; T1461-D1482 WeakPolarHBondContact O-CA 3.39Å; I1462-D1482 HydrophobicContact CG1-CB 4.43Å; D1482-I1484 PolarHBondContact O-N 3.09Å; D1482-I1484 WeakPolarHBondContact OD1-CA 3.2Å; D1482-I1484 WeakPolarHBondContact OD1-CB 3.13Å; D1482-I1484 PolarHBondContact OD1-N 3.29Å; D1482-H1485 HydrophobicContact CB-CB 4.26Å; D1482-H1485 CarbonylContact O-C 3.5Å; D1482-H1485 PolarHBondContact O-N 3.39Å; D1482-H1485 IonicContact OD1-CE1 3.42Å; D1482-H1485 IonicContact OD1-CG 3.28Å; D1482-H1485 PolarHBondContact OD1-N 3.42Å; D1482-H1485 IonicContact OD1-ND1 3.9Å; D1482-H1485 PolarHBondContact OD1-ND1 3.14Å; D1482-H1485 IonicContact OD2-CE1 3.67Å; D1482-H1485 IonicContact OD2-CG 3.38Å; D1482-H1485 IonicContact OD2-ND1 3.35Å; D1482-H1485 PolarHBondContact OD2-ND1 3.3Å; D1482-Y1486 WeakPolarHBondContact O-CA 3.42Å; D1482-Y1486 PolarHBondContact O-N 3.38Å; D1482-I1487 PolarHBondContact N-O 3.35Å
1483	L	54.1	Low	69.7	Low	70 Å²	70	38.1 Å²	38.1	37%	0.366	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-11.6	177.9	-71.2	149.9	0	0	0	114.4	T1461 Q1463 Y1481	T1461-L1483 HydrophobicContact CG2-CD1 3.93Å; T1461-L1483 WeakPolarHBondContact O-CB 3.32Å; T1461-L1483 PolarHBondContact O-N 3.42Å; Q1463-L1483 HydrophobicContact CB-CD1 3.95Å; Q1463-L1483 HydrophobicContact CB-CG 4.45Å; Y1481-L1483 HydrophobicContact CD1-CD2 4.01Å; Y1481-L1483 HydrophobicContact CD1-CG 3.92Å; Y1481-L1483 HydrophobicContact CE1-CD2 3.56Å; Y1481-L1483 HydrophobicContact CE1-CG 3.89Å; Y1481-L1483 PolarHBondContact O-N 2.94Å
1484	I	55.3	Low	70.1	Confident	91 Å²	91	32.7 Å²	32.7	47%	0.467	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-38.4	171.2	-63	-163.5	0	0	0	110.7	R1459 D1482	R1459-I1484 VanDerWaalsContact O-CD1 3.26Å; R1459-I1484 WeakPolarHBondContact O-CD1 3.45Å; D1482-I1484 PolarHBondContact O-N 3.09Å; D1482-I1484 WeakPolarHBondContact OD1-CA 3.2Å; D1482-I1484 WeakPolarHBondContact OD1-CB 3.13Å; D1482-I1484 PolarHBondContact OD1-N 3.29Å
1485	H	60.7	Low	70.1	Confident	88 Å²	88	32.8 Å²	32.8	41%	0.407	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-10.5	-175.6	-60.1	74.5	0	0	0	113.5	D1482 I1487	D1482-H1485 HydrophobicContact CB-CB 4.26Å; D1482-H1485 CarbonylContact O-C 3.5Å; D1482-H1485 PolarHBondContact O-N 3.39Å; D1482-H1485 IonicContact OD1-CE1 3.42Å; D1482-H1485 IonicContact OD1-CG 3.28Å; D1482-H1485 PolarHBondContact OD1-N 3.42Å; D1482-H1485 IonicContact OD1-ND1 3.9Å; D1482-H1485 PolarHBondContact OD1-ND1 3.14Å; D1482-H1485 IonicContact OD2-CE1 3.67Å; D1482-H1485 IonicContact OD2-CG 3.38Å; D1482-H1485 IonicContact OD2-ND1 3.35Å; D1482-H1485 PolarHBondContact OD2-ND1 3.3Å; H1485-I1487 HydrophobicContact CB-CB 4.4Å; H1485-I1487 HydrophobicContact CB-CD1 3.93Å; H1485-I1487 HydrophobicContact CB-CG1 4.09Å; H1485-I1487 PolarHBondContact O-N 3.33Å
1486	Y	60.8	Low	69.8	Low	144 Å²	144	37 Å²	37	57%	0.565	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	26.7	-173.1	-60.9	-101.6	0	0	0	113.2	Y1481 D1482 N1508	Y1481-Y1486 VanDerWaalsContact CE2-C 3.49Å; Y1481-Y1486 WeakPolarHBondContact OH-CD1 3.21Å; D1482-Y1486 WeakPolarHBondContact O-CA 3.42Å; D1482-Y1486 PolarHBondContact O-N 3.38Å; Y1486-N1508 PolarHBondContact O-OD1 3Å
1487	I	65	Low	68.8	Low	42 Å²	42	43.1 Å²	43.1	22%	0.215	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.1	-177.6	-67.5	171.3	0	0	0	109.4	Y1481 D1482 H1485 I1489 I1505	Y1481-I1487 CarbonylContact C-O 3.56Å; Y1481-I1487 WeakPolarHBondContact CA-O 3.41Å; D1482-I1487 PolarHBondContact N-O 3.35Å; H1485-I1487 HydrophobicContact CB-CB 4.4Å; H1485-I1487 HydrophobicContact CB-CD1 3.93Å; H1485-I1487 HydrophobicContact CB-CG1 4.09Å; H1485-I1487 PolarHBondContact O-N 3.33Å; I1487-I1489 HydrophobicContact CG2-CG1 3.91Å; I1487-I1505 HydrophobicContact CG2-CB 4.41Å; I1487-I1505 HydrophobicContact CG2-CG1 4.21Å; I1487-I1505 HydrophobicContact CG2-CG2 3.68Å
1488	T	68.1	Low	67.5	Low	7 Å²	7	47.1 Å²	47.1	4%	0.043	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	111.9	166.2	-50.7	0	0	0	0	108.8	Y1481 I1506 Q1512 I1514	Y1481-T1488 VanDerWaalsContact CD2-OG1 3.29Å; Y1481-T1488 WeakPolarHBondContact CD2-OG1 3.34Å; T1488-I1506 HydrophobicContact CG2-CD1 4.21Å; T1488-I1506 WeakPolarHBondContact O-CB 3.5Å; T1488-I1506 PolarHBondContact O-N 3.14Å; T1488-Q1512 PolarHBondContact OG1-O 3.48Å; T1488-I1514 HydrophobicContact CG2-CD1 3.86Å; T1488-I1514 HydrophobicContact CG2-CG1 4.08Å
1489	I	73.5	Confident	66.7	Low	22 Å²	22	49.6 Å²	49.6	11%	0.113	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	140.6	171.4	-51.3	175.6	0	0	0	107.3	S1479 T1480 I1487 E1491 N1503 Y1504 I1505	S1479-I1489 CarbonylContact C-O 3.57Å; S1479-I1489 WeakPolarHBondContact CA-O 3.48Å; T1480-I1489 PolarHBondContact N-O 3.08Å; T1480-I1489 WeakPolarHBondContact O-CB 3.3Å; T1480-I1489 PolarHBondContact O-N 2.91Å; T1480-I1489 WeakPolarHBondContact OG1-CB 3.41Å; T1480-I1489 PolarHBondContact OG1-O 3.38Å; I1487-I1489 HydrophobicContact CG2-CG1 3.91Å; I1489-E1491 HydrophobicContact CG2-CG 3.88Å; I1489-N1503 WeakPolarHBondContact CG2-OD1 3.32Å; I1489-Y1504 CarbonylContact C-O 3.56Å; I1489-Y1504 WeakPolarHBondContact CA-O 3.26Å; I1489-I1505 HydrophobicContact CG1-CG1 4.27Å
1490	L	76.5	Confident	66	Low	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.7	168	-171.8	100.8	0	0	0	109	Y1504 I1506 I1514 L1517 L1528 I1530 W1540	L1490-Y1504 PolarHBondContact N-O 3.43Å; L1490-Y1504 PolarHBondContact O-N 3.05Å; L1490-I1506 HydrophobicContact CB-CD1 4.48Å; L1490-I1514 HydrophobicContact CD1-CD1 3.8Å; L1490-L1517 HydrophobicContact CD1-CD1 3.89Å; L1490-L1517 HydrophobicContact CD1-CD2 3.64Å; L1490-L1517 HydrophobicContact CD1-CG 4.4Å; L1490-L1528 HydrophobicContact CD1-CD2 4.31Å; L1490-L1528 HydrophobicContact CD2-CD2 3.71Å; L1490-I1530 HydrophobicContact CD1-CD1 4.39Å; L1490-I1530 HydrophobicContact CD2-CD1 4.35Å; L1490-W1540 HydrophobicContact CD2-CE3 3.92Å; L1490-W1540 HydrophobicContact CD2-CZ3 3.56Å
1491	E	77.6	Confident	65.6	Low	15 Å²	15	53.8 Å²	53.8	7%	0.07	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.9	-174.5	-50.5	-169.6	-177.6	0	0	109.9	A1477 I1478 T1480 I1489 W1493 K1500 I1502	A1477-E1491 CarbonylContact C-O 3.1Å; A1477-E1491 VanDerWaalsContact CA-O 3.24Å; A1477-E1491 WeakPolarHBondContact CA-O 3.25Å; I1478-E1491 HydrophobicContact CB-CB 4.38Å; I1478-E1491 PolarHBondContact N-O 3.48Å; I1478-E1491 PolarHBondContact O-N 2.77Å; T1480-E1491 WeakPolarHBondContact OG1-CG 3.33Å; T1480-E1491 PolarHBondContact OG1-OE1 3.45Å; I1489-E1491 HydrophobicContact CG2-CG 3.88Å; E1491-W1493 PolarHBondContact OE2-NE1 2.95Å; E1491-K1500 IonicContact OE1-NZ 3.09Å; E1491-K1500 PolarHBondContact OE1-NZ 3.2Å; E1491-K1500 WeakPolarHBondContact OE2-CE 3.45Å; E1491-K1500 IonicContact OE2-NZ 2.67Å; E1491-K1500 PolarHBondContact OE2-NZ 3.5Å; E1491-I1502 CarbonylContact C-O 3.57Å; E1491-I1502 WeakPolarHBondContact CA-O 3.12Å
1492	I	75.8	Confident	65.7	Low	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.4	168.4	-60.7	160	0	0	0	107.9	Y1475 L1476 A1477 L1501 I1502 W1519 L1528 L1542	Y1475-I1492 HydrophobicContact CD1-CG2 4.38Å; L1476-I1492 CarbonylContact O-C 3.6Å; L1476-I1492 WeakPolarHBondContact O-CA 3.38Å; A1477-I1492 HydrophobicContact CB-CG1 4.18Å; I1492-L1501 WeakPolarHBondContact O-CB 3.44Å; I1492-L1501 PolarHBondContact O-N 3.47Å; I1492-I1502 HydrophobicContact CB-CB 4.14Å; I1492-I1502 HydrophobicContact CD1-CB 4.21Å; I1492-I1502 HydrophobicContact CD1-CD1 3.99Å; I1492-I1502 PolarHBondContact N-O 3.43Å; I1492-I1502 PolarHBondContact O-N 3.16Å; I1492-W1519 HydrophobicContact CG2-CZ2 4.48Å; I1492-L1528 HydrophobicContact CD1-CD2 4.47Å; I1492-L1542 HydrophobicContact CD1-CD1 3.6Å; I1492-L1542 HydrophobicContact CD1-CD2 3.66Å; I1492-L1542 HydrophobicContact CD1-CG 4.3Å
1493	W	77.2	Confident	65.9	Low	55 Å²	55	59.6 Å²	59.6	21%	0.208	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.5	-176.6	-71	75	0	0	0	110.1	Y1475 L1476 E1491 Y1499 K1500	Y1475-W1493 CarbonylContact C-O 3.58Å; Y1475-W1493 VanDerWaalsContact CA-O 3.29Å; Y1475-W1493 WeakPolarHBondContact CA-O 3.29Å; L1476-W1493 HydrophobicContact CB-CB 4.32Å; L1476-W1493 PolarHBondContact N-O 3.33Å; L1476-W1493 PolarHBondContact O-N 3Å; E1491-W1493 PolarHBondContact OE2-NE1 2.95Å; W1493-Y1499 CarbonylContact C-O 3.54Å; W1493-Y1499 WeakPolarHBondContact CA-O 3.39Å; W1493-K1500 HydrophobicContact CD2-CB 4Å; W1493-K1500 HydrophobicContact CD2-CG 4.19Å; W1493-K1500 HydrophobicContact CE3-CB 4.12Å; W1493-K1500 HydrophobicContact CG-CG 4.47Å; W1493-K1500 HydrophobicContact CH2-CB 4.38Å; W1493-K1500 HydrophobicContact CH2-CD 4.47Å; W1493-K1500 HydrophobicContact CZ2-CB 4.27Å; W1493-K1500 HydrophobicContact CZ2-CD 3.78Å; W1493-K1500 HydrophobicContact CZ2-CG 4.26Å; W1493-K1500 HydrophobicContact CZ3-CB 4.31Å
1494	N	72.8	Confident	66.7	Low	7 Å²	7	61.8 Å²	61.8	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	119.7	162.5	-169.6	-70.4	0	0	0	109	Q1474 N1496 Y1497 N1498 Y1499 L1501	Q1474-N1494 CarbonylContact O-C 3.52Å; Q1474-N1494 VanDerWaalsContact O-CA 3.29Å; Q1474-N1494 WeakPolarHBondContact O-CA 3.23Å; N1494-N1496 WeakPolarHBondContact OD1-CB 3.23Å; N1494-N1496 PolarHBondContact OD1-N 3.03Å; N1494-Y1497 HydrophobicContact CB-CD2 4.4Å; N1494-Y1497 VanDerWaalsContact OD1-CD2 3.27Å; N1494-Y1497 WeakPolarHBondContact OD1-CD2 3.47Å; N1494-Y1497 PolarHBondContact OD1-N 3.06Å; N1494-N1498 CarbonylContact O-C 3.55Å; N1494-N1498 VanDerWaalsContact O-CA 3.27Å; N1494-N1498 WeakPolarHBondContact O-CA 3.42Å; N1494-N1498 PolarHBondContact O-N 2.99Å; N1494-Y1499 PolarHBondContact N-O 3.33Å; N1494-Y1499 PolarHBondContact O-N 2.82Å; N1494-L1501 HydrophobicContact CB-CD1 3.71Å; N1494-L1501 HydrophobicContact CB-CG 4.29Å
1495	I	66.9	Low	67.3	Low	65 Å²	65	61.5 Å²	61.5	33%	0.333	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-34.4	-174.7	-43.5	-170.3	0	0	0	111.1	Y1469 K1473 Q1474 L1476 N1498	Y1469-I1495 HydrophobicContact CD1-CD1 3.51Å; Y1469-I1495 HydrophobicContact CE1-CD1 3.37Å; K1473-I1495 VanDerWaalsContact O-CD1 3.29Å; K1473-I1495 WeakPolarHBondContact O-CD1 3.37Å; Q1474-I1495 PolarHBondContact O-N 2.87Å; L1476-I1495 HydrophobicContact CB-CD1 3.73Å; L1476-I1495 HydrophobicContact CB-CG1 3.85Å; I1495-N1498 PolarHBondContact O-N 2.94Å
1496	N	64.6	Low	67.6	Low	101 Å²	101	59.3 Å²	59.3	54%	0.54	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-38.7	-179.7	-72.2	-22.5	0	0	0	112.3	Q1474 N1494	Q1474-N1496 WeakPolarHBondContact CG-ND2 3.47Å; Q1474-N1496 PolarHBondContact OE1-ND2 3.18Å; N1494-N1496 WeakPolarHBondContact OD1-CB 3.23Å; N1494-N1496 PolarHBondContact OD1-N 3.03Å
1497	Y	57.5	Low	67.3	Low	155 Å²	155	59.1 Å²	59.1	61%	0.608	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-0.7	178.5	-57.7	-63.8	0	0	0	113.9	N1494 Y1499	N1494-Y1497 HydrophobicContact CB-CD2 4.4Å; N1494-Y1497 VanDerWaalsContact OD1-CD2 3.27Å; N1494-Y1497 WeakPolarHBondContact OD1-CD2 3.47Å; N1494-Y1497 PolarHBondContact OD1-N 3.06Å; Y1497-Y1499 PolarHBondContact O-N 3.34Å
1498	N	47.5	Very low	65.9	Low	84 Å²	84	61 Å²	61	45%	0.449	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	32.9	-169.5	-158.5	30	0	0	0	113	N1494 I1495	N1494-N1498 CarbonylContact O-C 3.55Å; N1494-N1498 VanDerWaalsContact O-CA 3.27Å; N1494-N1498 WeakPolarHBondContact O-CA 3.42Å; N1494-N1498 PolarHBondContact O-N 2.99Å; I1495-N1498 PolarHBondContact O-N 2.94Å
1499	Y	60.8	Low	64.9	Low	77 Å²	77	68.3 Å²	68.3	30%	0.302	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	124.2	-163.9	-165.7	-59.6	0	0	0	111.1	Q1399 T1436 W1493 N1494 Y1497 L1501	Q1399-Y1499 PolarHBondContact OE1-OH 3.1Å; T1436-Y1499 HydrophobicContact CG2-CD2 3.76Å; T1436-Y1499 HydrophobicContact CG2-CE1 4.35Å; T1436-Y1499 HydrophobicContact CG2-CE2 3.35Å; T1436-Y1499 HydrophobicContact CG2-CG 4.39Å; T1436-Y1499 VanDerWaalsContact OG1-CA 3.29Å; T1436-Y1499 WeakPolarHBondContact OG1-CA 3.49Å; T1436-Y1499 WeakPolarHBondContact OG1-CB 3.14Å; T1436-Y1499 WeakPolarHBondContact OG1-CD2 3.37Å; W1493-Y1499 CarbonylContact C-O 3.54Å; W1493-Y1499 WeakPolarHBondContact CA-O 3.39Å; N1494-Y1499 PolarHBondContact N-O 3.33Å; N1494-Y1499 PolarHBondContact O-N 2.82Å; Y1497-Y1499 PolarHBondContact O-N 3.34Å; Y1499-L1501 PolarHBondContact O-N 2.62Å
1500	K	63.1	Low	63.7	Low	23 Å²	23	71.8 Å²	71.8	10%	0.1	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	102.1	176.5	-168.2	173	-178.6	172.4	0	110.7	E1491 W1493 N1503	E1491-K1500 IonicContact OE1-NZ 3.09Å; E1491-K1500 PolarHBondContact OE1-NZ 3.2Å; E1491-K1500 WeakPolarHBondContact OE2-CE 3.45Å; E1491-K1500 IonicContact OE2-NZ 2.67Å; E1491-K1500 PolarHBondContact OE2-NZ 3.5Å; W1493-K1500 HydrophobicContact CD2-CB 4Å; W1493-K1500 HydrophobicContact CD2-CG 4.19Å; W1493-K1500 HydrophobicContact CE3-CB 4.12Å; W1493-K1500 HydrophobicContact CG-CG 4.47Å; W1493-K1500 HydrophobicContact CH2-CB 4.38Å; W1493-K1500 HydrophobicContact CH2-CD 4.47Å; W1493-K1500 HydrophobicContact CZ2-CB 4.27Å; W1493-K1500 HydrophobicContact CZ2-CD 3.78Å; W1493-K1500 HydrophobicContact CZ2-CG 4.26Å; W1493-K1500 HydrophobicContact CZ3-CB 4.31Å; K1500-N1503 WeakPolarHBondContact CE-OD1 3.47Å; K1500-N1503 PolarHBondContact NZ-OD1 3Å
1501	L	64.9	Low	62.2	Low	73 Å²	73	77.9 Å²	77.9	38%	0.382	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-47	-175.2	-77.8	156.9	0	0	0	112.9	Y1475 I1492 N1494 Y1499 L1544	Y1475-L1501 HydrophobicContact CD1-CD1 3.38Å; Y1475-L1501 HydrophobicContact CE1-CD1 3.25Å; I1492-L1501 WeakPolarHBondContact O-CB 3.44Å; I1492-L1501 PolarHBondContact O-N 3.47Å; N1494-L1501 HydrophobicContact CB-CD1 3.71Å; N1494-L1501 HydrophobicContact CB-CG 4.29Å; Y1499-L1501 PolarHBondContact O-N 2.62Å; L1501-L1544 HydrophobicContact CD1-CD2 4.35Å
1502	I	69.7	Low	61.2	Low	51 Å²	51	78.6 Å²	78.6	26%	0.262	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	140.3	-176.6	-60.1	176	0	0	0	108.8	E1491 I1492 L1542 L1544	E1491-I1502 CarbonylContact C-O 3.57Å; E1491-I1502 WeakPolarHBondContact CA-O 3.12Å; I1492-I1502 HydrophobicContact CB-CB 4.14Å; I1492-I1502 HydrophobicContact CD1-CB 4.21Å; I1492-I1502 HydrophobicContact CD1-CD1 3.99Å; I1492-I1502 PolarHBondContact N-O 3.43Å; I1492-I1502 PolarHBondContact O-N 3.16Å; I1502-L1542 HydrophobicContact CD1-CD2 3.71Å; I1502-L1544 HydrophobicContact CD1-CD2 4.2Å
1503	N	72.2	Confident	60.3	Low	81 Å²	81	81 Å²	81	43%	0.433	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	83.1	178.8	-172.7	55.6	0	0	0	108.9	I1489 K1500	I1489-N1503 WeakPolarHBondContact CG2-OD1 3.32Å; K1500-N1503 WeakPolarHBondContact CE-OD1 3.47Å; K1500-N1503 PolarHBondContact NZ-OD1 3Å
1504	Y	69.8	Low	59.8	Low	116 Å²	116	78.3 Å²	78.3	46%	0.455	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.5	-173.2	-168.4	-98	0	0	0	111.3	I1489 L1490 I1506 W1540	I1489-Y1504 CarbonylContact C-O 3.56Å; I1489-Y1504 WeakPolarHBondContact CA-O 3.26Å; L1490-Y1504 PolarHBondContact N-O 3.43Å; L1490-Y1504 PolarHBondContact O-N 3.05Å; Y1504-I1506 HydrophobicContact CD1-CG1 4.06Å; Y1504-I1506 HydrophobicContact CE1-CG1 4.36Å; Y1504-W1540 AromaticContact CD1-CH2 3.9Å; Y1504-W1540 HydrophobicContact CD1-CH2 3.9Å; Y1504-W1540 HydrophobicContact CD1-CZ2 4.35Å; Y1504-W1540 AromaticContact CD2-CH2 3.77Å; Y1504-W1540 HydrophobicContact CD2-CH2 3.77Å; Y1504-W1540 HydrophobicContact CD2-CZ2 4.09Å; Y1504-W1540 HydrophobicContact CE1-CH2 4.44Å; Y1504-W1540 HydrophobicContact CE1-CZ2 4.44Å; Y1504-W1540 HydrophobicContact CE2-CH2 4.33Å; Y1504-W1540 HydrophobicContact CE2-CZ2 4.2Å; Y1504-W1540 AromaticContact CG-CH2 3.53Å; Y1504-W1540 HydrophobicContact CG-CH2 3.53Å; Y1504-W1540 HydrophobicContact CG-CZ2 4.17Å; Y1504-W1540 HydrophobicContact CG-CZ3 4.43Å
1505	I	69.2	Low	59.4	Low	86 Å²	86	81.5 Å²	81.5	44%	0.441	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	112.5	175.1	-77.3	167.1	0	0	0	108.2	I1487 I1489 N1507	I1487-I1505 HydrophobicContact CG2-CB 4.41Å; I1487-I1505 HydrophobicContact CG2-CG1 4.21Å; I1487-I1505 HydrophobicContact CG2-CG2 3.68Å; I1489-I1505 HydrophobicContact CG1-CG1 4.27Å; I1505-N1507 PolarHBondContact O-N 2.91Å
1506	I	65.8	Low	59.4	Low	42 Å²	42	83.5 Å²	83.5	22%	0.215	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	116.9	175.2	-58.4	177	0	0	0	107.5	T1488 L1490 Y1504 I1514	T1488-I1506 HydrophobicContact CG2-CD1 4.21Å; T1488-I1506 WeakPolarHBondContact O-CB 3.5Å; T1488-I1506 PolarHBondContact O-N 3.14Å; L1490-I1506 HydrophobicContact CB-CD1 4.48Å; Y1504-I1506 HydrophobicContact CD1-CG1 4.06Å; Y1504-I1506 HydrophobicContact CE1-CG1 4.36Å; I1506-I1514 HydrophobicContact CD1-CD1 3.61Å; I1506-I1514 HydrophobicContact CD1-CG1 4.42Å
1507	N	54.4	Low	59.7	Low	140 Å²	140	79.1 Å²	79.1	75%	0.749	39%	0.393	S	S	*	.			trans	-79.4	143.2	-161.3	-154.4	-5.6	0	0	0	113	I1505 N1509	I1505-N1507 PolarHBondContact O-N 2.91Å; N1507-N1509 PolarHBondContact O-N 3.4Å; N1507-N1509 VanDerWaalsContact O-N 3.16Å
1508	N	36.2	Very low	60.1	Low	80 Å²	80	73.5 Å²	73.5	43%	0.428	37%	0.373	S	S	.	.	S	Bend	trans	-72.6	107.4	-163.8	-73.4	-1.5	0	0	0	113.3	Y1486	Y1486-N1508 PolarHBondContact O-OD1 3Å
1509	N	47.9	Very low	61.1	Low	162 Å²	162	70.3 Å²	70.3	87%	0.866	36%	0.355	S	S	*	.	S	Bend	trans	-140.6	-25	162.7	-98.5	-43.4	0	0	0	114.5	N1507	N1507-N1509 PolarHBondContact O-N 3.4Å; N1507-N1509 VanDerWaalsContact O-N 3.16Å
1510	T	47.5	Very low	61.1	Low	95 Å²	95	66.8 Å²	66.8	58%	0.583	34%	0.341	S	S	*	.	S	Bend	trans	-142	146.9	170.5	48.9	0	0	0	0	109.8	Q1512	T1510-Q1512 PolarHBondContact O-N 3.13Å; T1510-Q1512 WeakPolarHBondContact OG1-CG 3.49Å; T1510-Q1512 PolarHBondContact OG1-NE2 3.31Å
1511	I	43.8	Very low	60.9	Low	127 Å²	127	65.8 Å²	65.8	65%	0.651	34%	0.338	S	S	*	.			trans	-69.7	99.3	179.7	-57.6	170.5	0	0	0	108.1
1512	Q	56.6	Low	60.3	Low	30 Å²	30	64.7 Å²	64.7	14%	0.14	33%	0.332	C	S	.	.			trans	-123.2	85.4	-172.9	-73.9	-177.1	-6.6	0	0	111.1	T1488 T1510 I1514 I1532	T1488-Q1512 PolarHBondContact OG1-O 3.48Å; T1510-Q1512 PolarHBondContact O-N 3.13Å; T1510-Q1512 WeakPolarHBondContact OG1-CG 3.49Å; T1510-Q1512 PolarHBondContact OG1-NE2 3.31Å; Q1512-I1514 PolarHBondContact O-N 3.42Å; Q1512-I1532 HydrophobicContact CB-CB 4.35Å; Q1512-I1532 HydrophobicContact CB-CG2 3.99Å; Q1512-I1532 HydrophobicContact CG-CB 4.41Å; Q1512-I1532 HydrophobicContact CG-CD1 4.17Å; Q1512-I1532 HydrophobicContact CG-CG2 4.5Å; Q1512-I1532 VanDerWaalsContact NE2-CD1 3.31Å
1513	I	58.1	Low	59.6	Low	50 Å²	50	65.8 Å²	65.8	26%	0.256	34%	0.338	S	S	.	.			trans	-66.8	110.7	163.7	-68.1	171.7	0	0	0	107.1	N1465 Y1481 N1515 P1533	N1465-I1513 HydrophobicContact CB-CG2 3.79Å; Y1481-I1513 HydrophobicContact CD1-CG1 4.12Å; Y1481-I1513 HydrophobicContact CE1-CD1 4.47Å; Y1481-I1513 HydrophobicContact CE1-CG1 4.18Å; I1513-N1515 PolarHBondContact O-N 3.07Å; I1513-P1533 HydrophobicContact CB-CG 4.03Å; I1513-P1533 WeakPolarHBondContact O-CD 3.29Å; I1513-P1533 WeakPolarHBondContact O-CG 3.07Å
1514	I	67.1	Low	58.6	Low	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.32	C	S	.	.			trans	-62.2	112.1	175.7	-64.7	165.7	0	0	0	108.6	N1465 A1466 S1479 T1488 L1490 I1506 Q1512 E1516 L1517 I1530 E1531 I1532	N1465-I1514 CarbonylContact C-O 3.54Å; N1465-I1514 WeakPolarHBondContact CB-O 3.48Å; N1465-I1514 PolarHBondContact ND2-N 3.26Å; A1466-I1514 HydrophobicContact CB-CB 4.5Å; A1466-I1514 HydrophobicContact CB-CG2 3.86Å; A1466-I1514 WeakPolarHBondContact CB-O 3.46Å; S1479-I1514 WeakPolarHBondContact OG-CB 3.36Å; T1488-I1514 HydrophobicContact CG2-CD1 3.86Å; T1488-I1514 HydrophobicContact CG2-CG1 4.08Å; L1490-I1514 HydrophobicContact CD1-CD1 3.8Å; I1506-I1514 HydrophobicContact CD1-CD1 3.61Å; I1506-I1514 HydrophobicContact CD1-CG1 4.42Å; Q1512-I1514 PolarHBondContact O-N 3.42Å; I1514-E1516 VanDerWaalsContact CG2-O 3.26Å; I1514-E1516 WeakPolarHBondContact CG2-O 3.4Å; I1514-L1517 HydrophobicContact CG2-CD2 3.84Å; I1514-L1517 HydrophobicContact CG2-CG 3.93Å; I1514-I1530 HydrophobicContact CB-CG2 4.27Å; I1514-I1530 HydrophobicContact CD1-CG2 3.53Å; I1514-I1530 HydrophobicContact CG1-CG2 3.58Å; I1514-I1530 HydrophobicContact CG2-CG2 3.68Å; I1514-E1531 CarbonylContact C-O 3.59Å; I1514-E1531 VanDerWaalsContact CA-O 3.28Å; I1514-E1531 WeakPolarHBondContact CA-O 3.26Å; I1514-E1531 VanDerWaalsContact CG2-O 3.28Å; I1514-E1531 WeakPolarHBondContact CG2-O 3.31Å; I1514-I1532 HydrophobicContact CG1-CG2 3.89Å
1515	N	64.1	Low	58	Low	74 Å²	74	59 Å²	59	40%	0.396	31%	0.31	S	S	.	.			trans	-63.9	-43.8	179.1	-78.7	-3.3	0	0	0	111.3	I1513 E1531	I1513-N1515 PolarHBondContact O-N 3.07Å; N1515-E1531 HydrophobicContact CB-CB 4.45Å; N1515-E1531 HydrophobicContact CB-CG 4.31Å; N1515-E1531 PolarHBondContact N-O 3.07Å
1516	E	65.9	Low	57.3	Low	107 Å²	107	54.9 Å²	54.9	50%	0.5	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	144.8	-172.3	-165.2	159.5	-166.8	0	0	110.5	I1514 I1518 E1531	I1514-E1516 VanDerWaalsContact CG2-O 3.26Å; I1514-E1516 WeakPolarHBondContact CG2-O 3.4Å; E1516-I1518 HydrophobicContact CG-CG1 4.19Å; E1516-E1531 HydrophobicContact CB-CB 4.17Å; E1516-E1531 PolarHBondContact N-O 3.34Å; E1516-E1531 PolarHBondContact O-N 3.21Å
1517	L	70.6	Confident	57.3	Low	8 Å²	8	53.1 Å²	53.1	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	140.4	170	-73.3	173.7	0	0	0	107.2	A1466 A1468 A1477 L1490 I1514 L1528 G1529 I1530	A1466-L1517 HydrophobicContact CB-CB 4.21Å; A1466-L1517 HydrophobicContact CB-CD1 4.16Å; A1466-L1517 HydrophobicContact CB-CG 3.78Å; A1468-L1517 HydrophobicContact CB-CB 3.55Å; A1468-L1517 WeakPolarHBondContact CB-O 3.47Å; A1477-L1517 HydrophobicContact CB-CD1 4.1Å; L1490-L1517 HydrophobicContact CD1-CD1 3.89Å; L1490-L1517 HydrophobicContact CD1-CD2 3.64Å; L1490-L1517 HydrophobicContact CD1-CG 4.4Å; I1514-L1517 HydrophobicContact CG2-CD2 3.84Å; I1514-L1517 HydrophobicContact CG2-CG 3.93Å; L1517-L1528 HydrophobicContact CD2-CD2 4.23Å; L1517-L1528 HydrophobicContact CD2-CG 4.36Å; L1517-G1529 WeakPolarHBondContact CA-O 3.41Å; L1517-I1530 HydrophobicContact CD2-CB 4.17Å; L1517-I1530 HydrophobicContact CD2-CG1 3.78Å; L1517-I1530 HydrophobicContact CD2-CG2 4.07Å
1518	I	67	Low	57.9	Low	37 Å²	37	46.4 Å²	46.4	19%	0.19	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	117	-177.6	-51.3	177.6	0	0	0	107.1	E1516 I1520 G1529	E1516-I1518 HydrophobicContact CG-CG1 4.19Å; I1518-I1520 HydrophobicContact CB-CG1 4.31Å; I1518-I1520 HydrophobicContact CG2-CD1 4.23Å; I1518-I1520 HydrophobicContact CG2-CG1 3.74Å; I1518-G1529 PolarHBondContact N-O 2.92Å; I1518-G1529 PolarHBondContact O-N 3.3Å
1519	W	68.3	Low	59.3	Low	18 Å²	18	42.6 Å²	42.6	7%	0.068	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	132.3	165.6	-93.4	74.1	0	0	0	108.8	Y1469 S1470 Y1475 I1492 A1526 L1528 L1542 L1544	Y1469-W1519 VanDerWaalsContact O-CB 3.31Å; Y1469-W1519 WeakPolarHBondContact O-CB 3.34Å; S1470-W1519 VanDerWaalsContact CA-CE3 3.44Å; S1470-W1519 VanDerWaalsContact CB-CZ3 3.4Å; Y1475-W1519 HydrophobicContact CD2-CH2 4.41Å; Y1475-W1519 HydrophobicContact CG-CH2 4.01Å; Y1475-W1519 HydrophobicContact CG-CZ2 4.39Å; I1492-W1519 HydrophobicContact CG2-CZ2 4.48Å; W1519-A1526 HydrophobicContact CD2-CB 4.31Å; W1519-A1526 HydrophobicContact CE3-CB 3.24Å; W1519-A1526 HydrophobicContact CH2-CB 4.41Å; W1519-A1526 HydrophobicContact CZ3-CB 3.32Å; W1519-L1528 VanDerWaalsContact CD1-CD1 3.48Å; W1519-L1528 HydrophobicContact CG-CD1 4.17Å; W1519-L1542 HydrophobicContact CH2-CD1 4.47Å; W1519-L1542 HydrophobicContact CZ2-CD1 4.28Å; W1519-L1544 HydrophobicContact CH2-CD1 3.7Å; W1519-L1544 HydrophobicContact CZ2-CD1 4.4Å
1520	I	60.9	Low	60.2	Low	2 Å²	2	35.3 Å²	35.3	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	95.7	-172.2	-58.6	-176.3	0	0	0	107.8	I1518 L1527 V1585 I1606	I1518-I1520 HydrophobicContact CB-CG1 4.31Å; I1518-I1520 HydrophobicContact CG2-CD1 4.23Å; I1518-I1520 HydrophobicContact CG2-CG1 3.74Å; I1520-L1527 HydrophobicContact CB-CB 3.87Å; I1520-L1527 WeakPolarHBondContact CB-O 3.13Å; I1520-L1527 HydrophobicContact CG2-CB 4.16Å; I1520-L1527 HydrophobicContact CG2-CD1 4.19Å; I1520-L1527 PolarHBondContact N-O 3.24Å; I1520-L1527 PolarHBondContact O-N 3.48Å; I1520-V1585 HydrophobicContact CB-CG2 4.44Å; I1520-V1585 HydrophobicContact CD1-CG2 4.1Å; I1520-V1585 HydrophobicContact CG1-CG2 3.95Å; I1520-V1585 HydrophobicContact CG2-CG1 4.07Å; I1520-V1585 HydrophobicContact CG2-CG2 3.96Å; I1520-I1606 HydrophobicContact CG2-CD1 3.66Å; I1520-I1606 HydrophobicContact CG2-CG1 3.8Å
1521	G	57.9	Low	61	Low	3 Å²	3	31.9 Å²	31.9	3%	0.031	16%	0.162	C	C	.	.	S	Bend	trans	141.4	142.5	172.9	0	0	0	0	0	114.2	N1471 N1523	N1471-G1521 PolarHBondContact ND2-O 3.27Å; G1521-N1523 VanDerWaalsContact C-N 3.25Å; G1521-N1523 PolarHBondContact O-N 3.03Å
1522	I	53.4	Low	61.8	Low	50 Å²	50	25.9 Å²	25.9	26%	0.256	13%	0.131	S	C	.	.	S	Bend	trans	-55	-36.5	-178.1	-50.9	174.6	0	0	0	113.2	D1587	I1522-D1587 HydrophobicContact CD1-CB 3.91Å; I1522-D1587 HydrophobicContact CG1-CB 3.68Å
1523	N	54.7	Low	61.6	Low	74 Å²	74	27.2 Å²	27.2	40%	0.396	14%	0.142	S	C	.	.	S	Bend	trans	-121.7	161.2	-169.7	-83	-52.2	0	0	0	111.9	G1521 N1525 A1526 N1602	G1521-N1523 VanDerWaalsContact C-N 3.25Å; G1521-N1523 PolarHBondContact O-N 3.03Å; N1523-N1525 CarbonylContact O-C 3.18Å; N1523-N1525 PolarHBondContact O-N 3.13Å; N1523-A1526 PolarHBondContact O-N 2.57Å; N1523-N1602 PolarHBondContact ND2-OD1 2.88Å
1524	D	51.3	Low	61.3	Low	10 Å²	10	27.3 Å²	27.3	5%	0.053	15%	0.147	C	C	.	.	S	Bend	trans	-59.1	-12.4	-172.8	-61.8	-41.3	0	0	0	115.8	T1472 Q1474 Y1475 A1526	T1472-D1524 WeakPolarHBondContact CB-OD1 3.49Å; T1472-D1524 WeakPolarHBondContact CG2-OD1 3.28Å; T1472-D1524 PolarHBondContact OG1-OD1 2.88Å; Q1474-D1524 PolarHBondContact NE2-OD2 3.46Å; Y1475-D1524 HydrophobicContact CD2-CB 4.02Å; Y1475-D1524 VanDerWaalsContact CD2-OD1 3.26Å; Y1475-D1524 WeakPolarHBondContact CD2-OD1 3.14Å; Y1475-D1524 HydrophobicContact CE2-CB 3.54Å; Y1475-D1524 WeakPolarHBondContact CE2-OD1 3.07Å; D1524-A1526 VanDerWaalsContact C-N 3.27Å; D1524-A1526 PolarHBondContact O-N 2.78Å
1525	N	56.3	Low	60.4	Low	43 Å²	43	29.2 Å²	29.2	23%	0.23	16%	0.156	C	C	.	.	S	Bend	trans	-83.6	68.6	164.5	-65.2	-25	0	0	0	110.1	N1523	N1523-N1525 CarbonylContact O-C 3.18Å; N1523-N1525 PolarHBondContact O-N 3.13Å
1526	A	56.3	Low	59.8	Low	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.			trans	-105.9	165.5	-171.1	0	0	0	0	0	114	W1519 N1523 D1524 L1542	W1519-A1526 HydrophobicContact CD2-CB 4.31Å; W1519-A1526 HydrophobicContact CE3-CB 3.24Å; W1519-A1526 HydrophobicContact CH2-CB 4.41Å; W1519-A1526 HydrophobicContact CZ3-CB 3.32Å; N1523-A1526 PolarHBondContact O-N 2.57Å; D1524-A1526 VanDerWaalsContact C-N 3.27Å; D1524-A1526 PolarHBondContact O-N 2.78Å; A1526-L1542 WeakPolarHBondContact O-CB 3.14Å; A1526-L1542 PolarHBondContact O-N 3.41Å
1527	L	64.3	Low	59.1	Low	5 Å²	5	24.4 Å²	24.4	3%	0.026	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	137.8	162.2	-72.6	163.3	0	0	0	109.1	I1520 I1539 P1541 I1606 W1621 L1626	I1520-L1527 HydrophobicContact CB-CB 3.87Å; I1520-L1527 WeakPolarHBondContact CB-O 3.13Å; I1520-L1527 HydrophobicContact CG2-CB 4.16Å; I1520-L1527 HydrophobicContact CG2-CD1 4.19Å; I1520-L1527 PolarHBondContact N-O 3.24Å; I1520-L1527 PolarHBondContact O-N 3.48Å; L1527-I1539 HydrophobicContact CB-CG2 3.71Å; L1527-I1539 HydrophobicContact CD1-CG2 3.99Å; L1527-I1539 HydrophobicContact CD2-CG2 3.65Å; L1527-I1539 HydrophobicContact CG-CG2 3.98Å; L1527-P1541 HydrophobicContact CD2-CB 3.88Å; L1527-I1606 HydrophobicContact CD1-CD1 3.92Å; L1527-W1621 HydrophobicContact CD1-CB 3.96Å; L1527-W1621 HydrophobicContact CD1-CD2 3.39Å; L1527-W1621 HydrophobicContact CD1-CE3 3.47Å; L1527-W1621 VanDerWaalsContact CD1-CE3 3.47Å; L1527-W1621 HydrophobicContact CD1-CG 3.65Å; L1527-W1621 HydrophobicContact CD1-CH2 4.48Å; L1527-W1621 HydrophobicContact CD1-CZ2 4.44Å; L1527-W1621 HydrophobicContact CD1-CZ3 4.04Å; L1527-W1621 HydrophobicContact CD2-CD2 4.45Å; L1527-W1621 HydrophobicContact CD2-CE3 4.07Å; L1527-W1621 HydrophobicContact CD2-CH2 3.79Å; L1527-W1621 HydrophobicContact CD2-CZ2 4.19Å; L1527-W1621 HydrophobicContact CD2-CZ3 3.73Å; L1527-W1621 HydrophobicContact CG-CD2 3.76Å; L1527-W1621 HydrophobicContact CG-CE3 3.87Å; L1527-W1621 HydrophobicContact CG-CG 4.35Å; L1527-W1621 HydrophobicContact CG-CH2 3.95Å; L1527-W1621 HydrophobicContact CG-CZ2 3.86Å; L1527-W1621 HydrophobicContact CG-CZ3 3.96Å; L1527-L1626 HydrophobicContact CD1-CD1 3.84Å
1528	L	68.5	Low	58.6	Low	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	110	167.5	-170.1	72.7	0	0	0	109.7	A1477 L1490 I1492 L1517 W1519 I1530 I1539 W1540 L1542	A1477-L1528 HydrophobicContact CB-CD1 3.67Å; A1477-L1528 HydrophobicContact CB-CD2 4.02Å; L1490-L1528 HydrophobicContact CD1-CD2 4.31Å; L1490-L1528 HydrophobicContact CD2-CD2 3.71Å; I1492-L1528 HydrophobicContact CD1-CD2 4.47Å; L1517-L1528 HydrophobicContact CD2-CD2 4.23Å; L1517-L1528 HydrophobicContact CD2-CG 4.36Å; W1519-L1528 VanDerWaalsContact CD1-CD1 3.48Å; W1519-L1528 HydrophobicContact CG-CD1 4.17Å; L1528-I1530 HydrophobicContact CD2-CD1 4.36Å; L1528-I1530 HydrophobicContact CD2-CG1 4.29Å; L1528-I1530 HydrophobicContact CG-CG1 4.27Å; L1528-I1539 WeakPolarHBondContact O-CA 3.33Å; L1528-W1540 HydrophobicContact CB-CB 4.49Å; L1528-W1540 PolarHBondContact N-O 3.16Å; L1528-W1540 PolarHBondContact O-N 3.42Å; L1528-L1542 HydrophobicContact CB-CD1 3.93Å
1529	G	65.1	Low	58.1	Low	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	135.1	166	0	0	0	0	0	110.9	L1517 I1518 Y1538	L1517-G1529 WeakPolarHBondContact CA-O 3.41Å; I1518-G1529 PolarHBondContact N-O 2.92Å; I1518-G1529 PolarHBondContact O-N 3.3Å; G1529-Y1538 CarbonylContact C-O 3.42Å; G1529-Y1538 WeakPolarHBondContact CA-O 3.47Å
1530	I	66.8	Low	57.9	Low	9 Å²	9	28.2 Å²	28.2	5%	0.046	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	99	-178.2	-50.9	-179.9	0	0	0	108.4	L1490 I1514 L1517 L1528 I1537 Y1538 W1540	L1490-I1530 HydrophobicContact CD1-CD1 4.39Å; L1490-I1530 HydrophobicContact CD2-CD1 4.35Å; I1514-I1530 HydrophobicContact CB-CG2 4.27Å; I1514-I1530 HydrophobicContact CD1-CG2 3.53Å; I1514-I1530 HydrophobicContact CG1-CG2 3.58Å; I1514-I1530 HydrophobicContact CG2-CG2 3.68Å; L1517-I1530 HydrophobicContact CD2-CB 4.17Å; L1517-I1530 HydrophobicContact CD2-CG1 3.78Å; L1517-I1530 HydrophobicContact CD2-CG2 4.07Å; L1528-I1530 HydrophobicContact CD2-CD1 4.36Å; L1528-I1530 HydrophobicContact CD2-CG1 4.29Å; L1528-I1530 HydrophobicContact CG-CG1 4.27Å; I1530-I1537 WeakPolarHBondContact O-CA 3.36Å; I1530-Y1538 PolarHBondContact N-O 3.22Å; I1530-Y1538 PolarHBondContact O-N 2.95Å; I1530-W1540 HydrophobicContact CD1-CE3 4.4Å
1531	E	63.3	Low	57.7	Low	22 Å²	22	29.6 Å²	29.6	10%	0.103	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.9	172.2	-170.6	174.1	138.6	0	0	110.6	I1514 N1515 E1516 I1537	I1514-E1531 CarbonylContact C-O 3.59Å; I1514-E1531 VanDerWaalsContact CA-O 3.28Å; I1514-E1531 WeakPolarHBondContact CA-O 3.26Å; I1514-E1531 VanDerWaalsContact CG2-O 3.28Å; I1514-E1531 WeakPolarHBondContact CG2-O 3.31Å; N1515-E1531 HydrophobicContact CB-CB 4.45Å; N1515-E1531 HydrophobicContact CB-CG 4.31Å; N1515-E1531 PolarHBondContact N-O 3.07Å; E1516-E1531 HydrophobicContact CB-CB 4.17Å; E1516-E1531 PolarHBondContact N-O 3.34Å; E1516-E1531 PolarHBondContact O-N 3.21Å; E1531-I1537 HydrophobicContact CB-CG1 3.95Å; E1531-I1537 HydrophobicContact CG-CG1 3.93Å
1532	I	61.8	Low	57.7	Low	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.159	C	C	.	.			trans	-116.8	167.8	176.9	42.1	160.5	0	0	0	110.8	Q1512 I1514 S1534 Q1535 N1536 Y1538	Q1512-I1532 HydrophobicContact CB-CB 4.35Å; Q1512-I1532 HydrophobicContact CB-CG2 3.99Å; Q1512-I1532 HydrophobicContact CG-CB 4.41Å; Q1512-I1532 HydrophobicContact CG-CD1 4.17Å; Q1512-I1532 HydrophobicContact CG-CG2 4.5Å; Q1512-I1532 VanDerWaalsContact NE2-CD1 3.31Å; I1514-I1532 HydrophobicContact CG1-CG2 3.89Å; I1532-S1534 WeakPolarHBondContact CD1-OG 3.24Å; I1532-S1534 PolarHBondContact O-N 2.99Å; I1532-Q1535 WeakPolarHBondContact O-CA 3.31Å; I1532-Q1535 PolarHBondContact O-N 3.16Å; I1532-N1536 HydrophobicContact CD1-CB 3.91Å; I1532-N1536 HydrophobicContact CG1-CB 3.96Å; I1532-N1536 VanDerWaalsContact CG1-O 3.25Å; I1532-N1536 WeakPolarHBondContact CG1-O 3.41Å; I1532-N1536 PolarHBondContact N-O 3.26Å; I1532-N1536 VanDerWaalsContact N-O 3.14Å; I1532-Y1538 HydrophobicContact CD1-CD2 4.31Å; I1532-Y1538 HydrophobicContact CD1-CE2 3.4Å; I1532-Y1538 VanDerWaalsContact CD1-CE2 3.4Å; I1532-Y1538 HydrophobicContact CG1-CE2 4.06Å
1533	P	51.9	Low	57.9	Low	58 Å²	58	34.6 Å²	34.6	38%	0.377	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.9	-165.4	-18	33.9	0	0	0	114.3	I1513 Q1535	I1513-P1533 HydrophobicContact CB-CG 4.03Å; I1513-P1533 WeakPolarHBondContact O-CD 3.29Å; I1513-P1533 WeakPolarHBondContact O-CG 3.07Å; P1533-Q1535 PolarHBondContact O-N 2.84Å
1534	S	51.6	Low	58	Low	51 Å²	51	32.3 Å²	32.3	36%	0.357	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-2	169.1	52.3	0	0	0	0	113.2	I1532 N1536	I1532-S1534 WeakPolarHBondContact CD1-OG 3.24Å; I1532-S1534 PolarHBondContact O-N 2.99Å; S1534-N1536 PolarHBondContact O-N 3.22Å; S1534-N1536 PolarHBondContact OG-ND2 2.72Å
1535	Q	49.1	Very low	57.7	Low	41 Å²	41	36.7 Å²	36.7	19%	0.192	19%	0.187	C	C	.	.	S	Bend	trans	58.8	28.4	-176.9	-61	168.8	-56.6	0	0	113	I1532 P1533 N1580	I1532-Q1535 WeakPolarHBondContact O-CA 3.31Å; I1532-Q1535 PolarHBondContact O-N 3.16Å; P1533-Q1535 PolarHBondContact O-N 2.84Å; Q1535-N1580 PolarHBondContact NE2-OD1 3.48Å; Q1535-N1580 PolarHBondContact OE1-OD1 2.97Å
1536	N	50.9	Low	56.9	Low	52 Å²	52	38 Å²	38	28%	0.278	21%	0.21	S	C	.	.			trans	-77.5	141.1	155.1	-63.2	-27.7	0	0	0	108.2	I1532 S1534	I1532-N1536 HydrophobicContact CD1-CB 3.91Å; I1532-N1536 HydrophobicContact CG1-CB 3.96Å; I1532-N1536 VanDerWaalsContact CG1-O 3.25Å; I1532-N1536 WeakPolarHBondContact CG1-O 3.41Å; I1532-N1536 PolarHBondContact N-O 3.26Å; I1532-N1536 VanDerWaalsContact N-O 3.14Å; S1534-N1536 PolarHBondContact O-N 3.22Å; S1534-N1536 PolarHBondContact OG-ND2 2.72Å
1537	I	51.7	Low	55.8	Low	27 Å²	27	41.7 Å²	41.7	14%	0.138	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	112.2	169.9	-56.6	171.3	0	0	0	107.4	I1530 E1531 I1583	I1530-I1537 WeakPolarHBondContact O-CA 3.36Å; E1531-I1537 HydrophobicContact CB-CG1 3.95Å; E1531-I1537 HydrophobicContact CG-CG1 3.93Å; I1537-I1583 HydrophobicContact CB-CD1 4.21Å; I1537-I1583 HydrophobicContact CD1-CB 4.34Å; I1537-I1583 HydrophobicContact CD1-CD1 3.58Å; I1537-I1583 HydrophobicContact CD1-CG1 3.72Å; I1537-I1583 HydrophobicContact CG1-CD1 4.49Å; I1537-I1583 HydrophobicContact CG2-CD1 4.02Å
1538	Y	60.1	Low	54.3	Low	85 Å²	85	47.3 Å²	47.3	33%	0.333	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	147.3	167.4	-53.9	-62.7	0	0	0	108.9	G1529 I1530 I1532	G1529-Y1538 CarbonylContact C-O 3.42Å; G1529-Y1538 WeakPolarHBondContact CA-O 3.47Å; I1530-Y1538 PolarHBondContact N-O 3.22Å; I1530-Y1538 PolarHBondContact O-N 2.95Å; I1532-Y1538 HydrophobicContact CD1-CD2 4.31Å; I1532-Y1538 HydrophobicContact CD1-CE2 3.4Å; I1532-Y1538 VanDerWaalsContact CD1-CE2 3.4Å; I1532-Y1538 HydrophobicContact CG1-CE2 4.06Å
1539	I	56.9	Low	52.8	Low	15 Å²	15	53.8 Å²	53.8	8%	0.077	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.5	174.3	-42.2	179.9	0	0	0	107.3	L1527 L1528 L1565 L1626	L1527-I1539 HydrophobicContact CB-CG2 3.71Å; L1527-I1539 HydrophobicContact CD1-CG2 3.99Å; L1527-I1539 HydrophobicContact CD2-CG2 3.65Å; L1527-I1539 HydrophobicContact CG-CG2 3.98Å; L1528-I1539 WeakPolarHBondContact O-CA 3.33Å; I1539-L1565 HydrophobicContact CB-CD1 4.16Å; I1539-L1565 HydrophobicContact CD1-CD1 4.45Å; I1539-L1565 HydrophobicContact CG1-CD1 4.32Å; I1539-L1626 HydrophobicContact CD1-CD2 4.48Å
1540	W	62.8	Low	51.3	Low	43 Å²	43	59.7 Å²	59.7	16%	0.163	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	111.4	-167.4	-149.9	31	0	0	0	111	L1490 Y1504 L1528 I1530	L1490-W1540 HydrophobicContact CD2-CE3 3.92Å; L1490-W1540 HydrophobicContact CD2-CZ3 3.56Å; Y1504-W1540 AromaticContact CD1-CH2 3.9Å; Y1504-W1540 HydrophobicContact CD1-CH2 3.9Å; Y1504-W1540 HydrophobicContact CD1-CZ2 4.35Å; Y1504-W1540 AromaticContact CD2-CH2 3.77Å; Y1504-W1540 HydrophobicContact CD2-CH2 3.77Å; Y1504-W1540 HydrophobicContact CD2-CZ2 4.09Å; Y1504-W1540 HydrophobicContact CE1-CH2 4.44Å; Y1504-W1540 HydrophobicContact CE1-CZ2 4.44Å; Y1504-W1540 HydrophobicContact CE2-CH2 4.33Å; Y1504-W1540 HydrophobicContact CE2-CZ2 4.2Å; Y1504-W1540 AromaticContact CG-CH2 3.53Å; Y1504-W1540 HydrophobicContact CG-CH2 3.53Å; Y1504-W1540 HydrophobicContact CG-CZ2 4.17Å; Y1504-W1540 HydrophobicContact CG-CZ3 4.43Å; L1528-W1540 HydrophobicContact CB-CB 4.49Å; L1528-W1540 PolarHBondContact N-O 3.16Å; L1528-W1540 PolarHBondContact O-N 3.42Å; I1530-W1540 HydrophobicContact CD1-CE3 4.4Å
1541	P	57.3	Low	49.7	Very low	31 Å²	31	66.3 Å²	66.3	20%	0.201	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	127.5	-175.4	29.5	-33.3	0	0	0	112	L1527 Y1563 W1621	L1527-P1541 HydrophobicContact CD2-CB 3.88Å; P1541-Y1563 VanDerWaalsContact CD-O 3.22Å; P1541-Y1563 WeakPolarHBondContact CD-O 3.34Å; P1541-W1621 HydrophobicContact CB-CH2 4.05Å
1542	L	58.3	Low	48.1	Very low	18 Å²	18	73.3 Å²	73.3	9%	0.094	41%	0.413	C	S	.	.			trans	-111.7	132.6	-178.9	-67.1	164.5	0	0	0	111	I1492 I1502 W1519 A1526 L1528 L1544	I1492-L1542 HydrophobicContact CD1-CD1 3.6Å; I1492-L1542 HydrophobicContact CD1-CD2 3.66Å; I1492-L1542 HydrophobicContact CD1-CG 4.3Å; I1502-L1542 HydrophobicContact CD1-CD2 3.71Å; W1519-L1542 HydrophobicContact CH2-CD1 4.47Å; W1519-L1542 HydrophobicContact CZ2-CD1 4.28Å; A1526-L1542 WeakPolarHBondContact O-CB 3.14Å; A1526-L1542 PolarHBondContact O-N 3.41Å; L1528-L1542 HydrophobicContact CB-CD1 3.93Å; L1542-L1544 HydrophobicContact CB-CD1 3.85Å; L1542-L1544 HydrophobicContact CB-CG 4.08Å; L1542-L1544 HydrophobicContact CD1-CD1 4.3Å
1543	K	57	Low	46.8	Very low	141 Å²	141	77.9 Å²	77.9	61%	0.613	45%	0.451	S	S	*	.			trans	-119.7	93.7	177.7	-168.6	-174.4	-178.4	-167.8	0	107.7	Y1562	K1543-Y1562 HydrophobicContact CB-CE1 4.06Å; K1543-Y1562 HydrophobicContact CD-CE1 4.22Å
1544	L	56.8	Low	45.7	Very low	25 Å²	25	82.7 Å²	82.7	13%	0.131	47%	0.473	C	S	.	.			trans	-108.5	-9.1	-160.8	-73.5	165.4	0	0	0	115.3	Y1475 L1501 I1502 W1519 L1542	Y1475-L1544 HydrophobicContact CD1-CD1 3.76Å; Y1475-L1544 HydrophobicContact CD1-CD2 4.44Å; Y1475-L1544 HydrophobicContact CD1-CG 4.47Å; Y1475-L1544 HydrophobicContact CE1-CB 3.76Å; Y1475-L1544 HydrophobicContact CE1-CD1 3.87Å; Y1475-L1544 HydrophobicContact CE1-CD2 4.15Å; Y1475-L1544 HydrophobicContact CE1-CG 4.14Å; Y1475-L1544 HydrophobicContact CG-CD1 4.26Å; L1501-L1544 HydrophobicContact CD1-CD2 4.35Å; I1502-L1544 HydrophobicContact CD1-CD2 4.2Å; W1519-L1544 HydrophobicContact CH2-CD1 3.7Å; W1519-L1544 HydrophobicContact CZ2-CD1 4.4Å; L1542-L1544 HydrophobicContact CB-CD1 3.85Å; L1542-L1544 HydrophobicContact CB-CG 4.08Å; L1542-L1544 HydrophobicContact CD1-CD1 4.3Å
1545	N	45.7	Very low	44.8	Very low	103 Å²	103	87.3 Å²	87.3	55%	0.551	49%	0.494	S	S	*	.			trans	-99	105.5	176.9	-70.5	-18.4	0	0	0	111.2	Y1475	Y1475-N1545 PolarHBondContact OH-OD1 2.96Å
1546	G	38.1	Very low	43.9	Very low	70 Å²	70	91.9 Å²	91.9	72%	0.722	52%	0.52	S	S	*	.			trans	-131.5	118.6	163.3	0	0	0	0	0	109.4
1547	S	33.6	Very low	42.8	Very low	78 Å²	78	96.5 Å²	96.5	55%	0.545	54%	0.544	S	S	.	.			trans	-76.8	123.4	178.9	20.8	0	0	0	0	110.5	N1549 D1550	S1547-N1549 PolarHBondContact O-N 3.37Å; S1547-D1550 WeakPolarHBondContact CB-OD2 3.31Å; S1547-D1550 PolarHBondContact OG-OD2 2.92Å
1548	P	34	Very low	41.8	Very low	123 Å²	123	101 Å²	101	80%	0.799	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	30.1	-179.2	35.6	-38.4	0	0	0	113.2
1549	N	35.9	Very low	40.4	Very low	136 Å²	136	105.1 Å²	105.1	73%	0.727	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.3	-4	-173.1	-77.9	21.9	0	0	0	113.4	S1547 D1551	S1547-N1549 PolarHBondContact O-N 3.37Å; N1549-D1551 VanDerWaalsContact C-N 3.3Å; N1549-D1551 PolarHBondContact O-N 3.39Å
1550	D	34.9	Very low	39	Very low	124 Å²	124	110.7 Å²	110.7	66%	0.663	62%	0.622	S	S	*	*			trans	-92.1	64.5	179.5	-60.9	-63.6	0	0	0	110	S1547 D1552	S1547-D1550 WeakPolarHBondContact CB-OD2 3.31Å; S1547-D1550 PolarHBondContact OG-OD2 2.92Å; D1550-D1552 PolarHBondContact O-N 3.05Å; D1550-D1552 VanDerWaalsContact O-N 3.17Å
1551	D	31.4	Very low	37.4	Very low	148 Å²	148	113.3 Å²	113.3	79%	0.791	65%	0.645	S	S	*	*			trans	-70.5	93.6	164.9	-69.5	-44.7	0	0	0	108.7	N1549	N1549-D1551 VanDerWaalsContact C-N 3.3Å; N1549-D1551 PolarHBondContact O-N 3.39Å
1552	D	30.3	Very low	36.2	Very low	169 Å²	169	119 Å²	119	90%	0.904	66%	0.663	S	S	*	*			trans	167.8	71.3	155.4	-90.7	-19.8	0	0	0	110.8	D1550	D1550-D1552 PolarHBondContact O-N 3.05Å; D1550-D1552 VanDerWaalsContact O-N 3.17Å
1553	A	34.3	Very low	34.9	Very low	98 Å²	98	127.2 Å²	127.2	81%	0.81	69%	0.694	S	S	*	*			trans	-157.8	86	167.8	0	0	0	0	0	111.6
1554	D	30.1	Very low	33.6	Very low	159 Å²	159	124.3 Å²	124.3	85%	0.85	69%	0.685	S	S	*	*			trans	-67.7	172.4	156.1	-73	-54.4	0	0	0	110.5
1555	D	30.9	Very low	32.3	Very low	148 Å²	148	128.3 Å²	128.3	79%	0.791	71%	0.706	S	S	*	*			trans	99.4	111.4	172.8	-58.4	-14.3	0	0	0	117.6
1556	D	30.1	Very low	31.5	Very low	137 Å²	137	127.2 Å²	127.2	73%	0.733	70%	0.703	S	S	*	*			trans	63.8	111.8	136.6	-58.7	-8.7	0	0	0	122.8
1557	D	28.2	Very low	31	Very low	149 Å²	149	129.8 Å²	129.8	80%	0.797	70%	0.696	S	S	*	*				79.4	158.2	128.6	-74.4	-16.3	0	0	0	123.2
1558	D	30.9	Very low	30.8	Very low	121 Å²	121	133.8 Å²	133.8	65%	0.647	71%	0.706	S	S	*	*			trans	70.7	86.8	157.5	-86.1	9.7	0	0	0	119.9	Q1560	D1558-Q1560 VanDerWaalsContact C-N 3.27Å; D1558-Q1560 HydrophobicContact CB-CG 4.05Å; D1558-Q1560 PolarHBondContact O-N 2.74Å
1559	D	30.3	Very low	30.4	Very low	171 Å²	171	136.5 Å²	136.5	91%	0.914	71%	0.708	S	S	*	*			trans	-30.4	83.6	132.3	-77.3	-49.8	0	0	0	113.6
1560	Q	29.3	Very low	30.1	Very low	133 Å²	133	134.3 Å²	134.3	62%	0.621	70%	0.704	S	S	*	*			trans	-122.3	129.7	170.3	-71.6	-68.9	-31.9	0	0	110.6	D1558	D1558-Q1560 VanDerWaalsContact C-N 3.27Å; D1558-Q1560 HydrophobicContact CB-CG 4.05Å; D1558-Q1560 PolarHBondContact O-N 2.74Å
1561	P	28.9	Very low	29.6	Very low	97 Å²	97	136.7 Å²	136.7	63%	0.63	72%	0.716	S	S	*	*			trans	-74.8	132.4	-166.6	28.7	-34.9	0	0	0	112.6	Y1563	P1561-Y1563 PolarHBondContact O-N 3.4Å
1562	Y	30.6	Very low	29.6	Very low	150 Å²	150	136.1 Å²	136.1	59%	0.588	71%	0.712	S	S	*	*			trans	-59.7	112.9	167.5	-79.4	-91.9	0	0	0	109.6	K1543 L1564	K1543-Y1562 HydrophobicContact CB-CE1 4.06Å; K1543-Y1562 HydrophobicContact CD-CE1 4.22Å; Y1562-L1564 PolarHBondContact O-N 2.89Å
1563	Y	32.4	Very low	29.4	Very low	192 Å²	192	137 Å²	137	75%	0.753	71%	0.71	S	S	*	*			trans	-49.8	95.8	-163.2	-74.3	-89.9	0	0	0	114.5	P1541 P1561	P1541-Y1563 VanDerWaalsContact CD-O 3.22Å; P1541-Y1563 WeakPolarHBondContact CD-O 3.34Å; P1561-Y1563 PolarHBondContact O-N 3.4Å
1564	L	28.5	Very low	29.1	Very low	80 Å²	80	138.3 Å²	138.3	42%	0.419	70%	0.703	S	S	.	*			trans	-64.6	137.1	152.5	-174.8	62.1	0	0	0	107.7	Y1562 T1566	Y1562-L1564 PolarHBondContact O-N 2.89Å; L1564-T1566 HydrophobicContact CD2-CG2 3.48Å; L1564-T1566 VanDerWaalsContact CD2-CG2 3.48Å; L1564-T1566 WeakPolarHBondContact CD2-OG1 3.27Å; L1564-T1566 HydrophobicContact CG-CG2 3.78Å; L1564-T1566 WeakPolarHBondContact CG-OG1 3.44Å; L1564-T1566 PolarHBondContact O-N 3.36Å; L1564-T1566 PolarHBondContact O-OG1 3.1Å
1565	L	29.7	Very low	29.3	Very low	109 Å²	109	140 Å²	140	57%	0.571	70%	0.699	S	S	*	*	S	Bend	trans	-74.8	56.8	169.9	-85.1	167.7	0	0	0	110.9	I1539 L1626	I1539-L1565 HydrophobicContact CB-CD1 4.16Å; I1539-L1565 HydrophobicContact CD1-CD1 4.45Å; I1539-L1565 HydrophobicContact CG1-CD1 4.32Å; L1565-L1626 HydrophobicContact CD1-CD2 4.34Å
1566	T	29.3	Very low	29.2	Very low	79 Å²	79	142.1 Å²	142.1	49%	0.485	70%	0.701	S	S	.	*			trans	-100.4	145.2	171	28.7	0	0	0	0	111.4	L1564 E1568	L1564-T1566 HydrophobicContact CD2-CG2 3.48Å; L1564-T1566 VanDerWaalsContact CD2-CG2 3.48Å; L1564-T1566 WeakPolarHBondContact CD2-OG1 3.27Å; L1564-T1566 HydrophobicContact CG-CG2 3.78Å; L1564-T1566 WeakPolarHBondContact CG-OG1 3.44Å; L1564-T1566 PolarHBondContact O-N 3.36Å; L1564-T1566 PolarHBondContact O-OG1 3.1Å; T1566-E1568 PolarHBondContact O-N 2.88Å
1567	E	26.6	Very low	29.4	Very low	125 Å²	125	138 Å²	138	58%	0.584	68%	0.679	S	S	*	*			trans	-72.5	58.8	172.9	-68.7	171.6	100.2	0	0	112.8	Q1569 L1574	E1567-Q1569 VanDerWaalsContact C-N 3.28Å; E1567-Q1569 PolarHBondContact O-N 2.67Å; E1567-L1574 HydrophobicContact CG-CB 4.46Å; E1567-L1574 HydrophobicContact CG-CD1 3.63Å
1568	E	29.4	Very low	29.8	Very low	161 Å²	161	137.7 Å²	137.7	75%	0.752	67%	0.67	S	S	*	*			trans	-95.5	38.5	172.4	-62.3	-147.7	152.7	0	0	113	T1566	T1566-E1568 PolarHBondContact O-N 2.88Å
1569	Q	27	Very low	30.5	Very low	180 Å²	180	138.4 Å²	138.4	84%	0.841	67%	0.67	S	S	*	*	S	Bend	trans	-162.7	107.8	151.6	-107.8	145.5	91.5	0	0	113.1	E1567	E1567-Q1569 VanDerWaalsContact C-N 3.28Å; E1567-Q1569 PolarHBondContact O-N 2.67Å
1570	S	28.3	Very low	31.4	Very low	90 Å²	90	133.2 Å²	133.2	63%	0.629	64%	0.642	S	S	*	*	S	Bend	trans	61.7	101.6	159.7	61.4	0	0	0	0	120.9	I1572	S1570-I1572 PolarHBondContact O-N 3.31Å
1571	N	25.8	Very low	32.5	Very low	174 Å²	174	127.1 Å²	127.1	93%	0.93	61%	0.614	S	S	*	*				56.6	15.8	129.2	-67.2	-3.2	0	0	0	121.6
1572	I	31.4	Very low	33.9	Very low	137 Å²	137	124.9 Å²	124.9	70%	0.703	60%	0.599	S	S	*	*			trans	-108.6	114.2	175.9	-61.4	177.6	0	0	0	109.8	S1570 L1574	S1570-I1572 PolarHBondContact O-N 3.31Å; I1572-L1574 PolarHBondContact O-N 2.91Å
1573	E	26.4	Very low	35.5	Very low	186 Å²	186	119 Å²	119	87%	0.869	58%	0.577	S	S	*	*			trans	-53.9	86.8	-173.6	-58.5	-177.3	134.6	0	0	114.1	Y1575	E1573-Y1575 PolarHBondContact O-N 3.47Å
1574	L	27.9	Very low	36.9	Very low	127 Å²	127	112.2 Å²	112.2	67%	0.665	55%	0.554	S	S	*	*			trans	-71.5	120.6	175.2	-89.9	159.9	0	0	0	110.8	E1567 I1572 K1576	E1567-L1574 HydrophobicContact CG-CB 4.46Å; E1567-L1574 HydrophobicContact CG-CD1 3.63Å; I1572-L1574 PolarHBondContact O-N 2.91Å; L1574-K1576 PolarHBondContact O-N 3.21Å
1575	Y	33.3	Very low	38.7	Very low	195 Å²	195	110.3 Å²	110.3	77%	0.765	55%	0.545	S	S	*	.			trans	-52.3	122.7	-174.5	-76.2	-92.8	0	0	0	111.5	E1573 I1577	E1573-Y1575 PolarHBondContact O-N 3.47Å; Y1575-I1577 PolarHBondContact O-N 3.19Å
1576	K	28.3	Very low	40.3	Very low	191 Å²	191	105.6 Å²	105.6	83%	0.83	52%	0.521	S	S	*	.			trans	-55.2	101.2	161.7	-75.5	-177.4	175.5	177.1	0	109	L1574 K1578	L1574-K1576 PolarHBondContact O-N 3.21Å; K1576-K1578 PolarHBondContact O-N 2.77Å
1577	I	34.8	Very low	42	Very low	50 Å²	50	103.6 Å²	103.6	26%	0.256	51%	0.508	S	S	.	.			trans	-66.5	101.6	172	-59	-173.1	0	0	0	106.1	Y1575 Q1610	Y1575-I1577 PolarHBondContact O-N 3.19Å; I1577-Q1610 HydrophobicContact CG2-CG 4.39Å
1578	K	37.5	Very low	43.7	Very low	144 Å²	144	98.5 Å²	98.5	63%	0.626	48%	0.484	S	S	*	.			trans	-87.7	122.3	175.3	-73.3	-171.2	174.7	-169.5	0	108.9	K1576	K1576-K1578 PolarHBondContact O-N 2.77Å
1579	E	45.8	Very low	44.8	Very low	135 Å²	135	95.1 Å²	95.1	63%	0.631	47%	0.471	S	S	*	.	S	Bend	trans	50.6	105.4	150.2	-66.3	169.8	-164	0	0	115.3
1580	N	47.6	Very low	45.8	Very low	62 Å²	62	91.1 Å²	91.1	33%	0.332	46%	0.455	S	S	.	.			trans	78.4	104	172.6	-41.2	-87.3	0	0	0	114.7	Q1535 Q1610 Q1611	Q1535-N1580 PolarHBondContact NE2-OD1 3.48Å; Q1535-N1580 PolarHBondContact OE1-OD1 2.97Å; N1580-Q1610 CarbonylContact O-C 3.54Å; N1580-Q1610 WeakPolarHBondContact O-CA 3.33Å; N1580-Q1611 HydrophobicContact CB-CB 3.71Å; N1580-Q1611 PolarHBondContact O-N 3.49Å
1581	S	53.5	Low	46.1	Very low	6 Å²	6	92.8 Å²	92.8	4%	0.042	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	122.2	163.2	68.7	0	0	0	0	113	L1609	S1581-L1609 CarbonylContact C-O 3.48Å; S1581-L1609 WeakPolarHBondContact CA-O 3.34Å
1582	T	58.2	Low	46.6	Very low	50 Å²	50	90 Å²	90	31%	0.307	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.4	174.8	47.8	0	0	0	0	110.3	L1609 Q1611	T1582-L1609 PolarHBondContact N-O 2.94Å; T1582-L1609 PolarHBondContact O-N 2.9Å; T1582-Q1611 VanDerWaalsContact CG2-NE2 3.32Å
1583	I	63.1	Low	46.6	Very low	26 Å²	26	91.3 Å²	91.3	13%	0.133	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	144.3	169.6	-71.8	-179.7	0	0	0	109.7	I1537 V1585 I1606 I1607 Q1608	I1537-I1583 HydrophobicContact CB-CD1 4.21Å; I1537-I1583 HydrophobicContact CD1-CB 4.34Å; I1537-I1583 HydrophobicContact CD1-CD1 3.58Å; I1537-I1583 HydrophobicContact CD1-CG1 3.72Å; I1537-I1583 HydrophobicContact CG1-CD1 4.49Å; I1537-I1583 HydrophobicContact CG2-CD1 4.02Å; I1583-V1585 HydrophobicContact CG2-CG2 4.23Å; I1583-I1606 HydrophobicContact CG2-CG2 3.6Å; I1583-I1607 CarbonylContact C-O 3.58Å; I1583-I1607 VanDerWaalsContact CA-O 3.24Å; I1583-I1607 WeakPolarHBondContact CA-O 3.46Å; I1583-Q1608 HydrophobicContact CD1-CG 4.42Å; I1583-Q1608 HydrophobicContact CG1-CB 4.02Å; I1583-Q1608 HydrophobicContact CG1-CG 3.98Å
1584	N	62.9	Low	46.8	Very low	50 Å²	50	89.5 Å²	89.5	27%	0.267	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	129.2	170.9	-150.5	48.8	0	0	0	109.6	I1607 I1673 S1675	N1584-I1607 PolarHBondContact N-O 3.31Å; N1584-I1607 WeakPolarHBondContact O-CB 3.48Å; N1584-I1607 PolarHBondContact O-N 3.08Å; N1584-I1673 HydrophobicContact CB-CG2 3.99Å; N1584-S1675 PolarHBondContact ND2-N 3.01Å; N1584-S1675 VanDerWaalsContact ND2-N 3.11Å; N1584-S1675 PolarHBondContact ND2-OG 3.46Å
1585	V	65.2	Low	47	Very low	39 Å²	39	90.3 Å²	90.3	24%	0.236	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	144.7	-175.2	-176.1	0	0	0	0	109.9	I1520 I1583 Y1605 I1606	I1520-V1585 HydrophobicContact CB-CG2 4.44Å; I1520-V1585 HydrophobicContact CD1-CG2 4.1Å; I1520-V1585 HydrophobicContact CG1-CG2 3.95Å; I1520-V1585 HydrophobicContact CG2-CG1 4.07Å; I1520-V1585 HydrophobicContact CG2-CG2 3.96Å; I1583-V1585 HydrophobicContact CG2-CG2 4.23Å; V1585-Y1605 CarbonylContact C-O 3.48Å; V1585-Y1605 WeakPolarHBondContact CA-O 3.26Å; V1585-I1606 HydrophobicContact CG1-CG1 4.42Å; V1585-I1606 HydrophobicContact CG2-CG1 4.3Å; V1585-I1606 HydrophobicContact CG2-CG2 4.41Å
1586	V	64.5	Low	46.9	Very low	10 Å²	10	88.6 Å²	88.6	6%	0.061	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	113.1	175.9	-164.6	0	0	0	0	110.3	Y1605 I1607 S1675 I1677 L1682	V1586-Y1605 PolarHBondContact N-O 2.85Å; V1586-Y1605 PolarHBondContact O-N 3.44Å; V1586-I1607 HydrophobicContact CG2-CD1 4.46Å; V1586-S1675 WeakPolarHBondContact CG2-OG 3.18Å; V1586-I1677 HydrophobicContact CB-CD1 4.34Å; V1586-I1677 HydrophobicContact CB-CG1 4.43Å; V1586-I1677 HydrophobicContact CG1-CB 4.03Å; V1586-I1677 HydrophobicContact CG1-CD1 3.87Å; V1586-I1677 HydrophobicContact CG1-CG1 3.63Å; V1586-I1677 VanDerWaalsContact CG1-N 3.31Å; V1586-L1682 HydrophobicContact CB-CD1 3.94Å; V1586-L1682 HydrophobicContact CG1-CD1 4.12Å; V1586-L1682 HydrophobicContact CG2-CD1 3.78Å
1587	D	63.7	Low	46.9	Very low	37 Å²	37	86.9 Å²	86.9	20%	0.198	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	163	178.9	-75.6	-42.9	0	0	0	112.6	I1522 S1604	I1522-D1587 HydrophobicContact CD1-CB 3.91Å; I1522-D1587 HydrophobicContact CG1-CB 3.68Å; D1587-S1604 WeakPolarHBondContact OD1-CB 3.4Å; D1587-S1604 PolarHBondContact OD1-OG 2.83Å
1588	M	63.6	Low	46.7	Very low	19 Å²	19	91.6 Å²	91.6	9%	0.094	49%	0.491	C	S	.	.			trans	-109.5	98.9	177.2	-104.3	-72.1	-160.4	0	0	111.3	N1590 I1603 Y1605 I1677 I1701	M1588-N1590 PolarHBondContact O-N 3.21Å; M1588-I1603 HydrophobicContact CB-CB 4.32Å; M1588-I1603 PolarHBondContact N-O 2.94Å; M1588-I1603 VanDerWaalsContact N-O 3.16Å; M1588-Y1605 HydrophobicContact CG-CE2 4.06Å; M1588-I1677 HydrophobicContact CE-CG2 3.97Å; M1588-I1677 HydrophobicContact CG-CD1 4.1Å; M1588-I1677 HydrophobicContact SD-CG2 4.02Å; M1588-I1701 HydrophobicContact CE-CD1 4.37Å; M1588-I1701 HydrophobicContact CE-CG2 4.46Å
1589	D	53	Low	46.3	Very low	89 Å²	89	90.6 Å²	90.6	48%	0.476	50%	0.502	S	S	.	.			trans	-75.8	86	176.6	-66.7	-30.4	0	0	0	111.6	T1591 Q1734	D1589-T1591 HydrophobicContact CB-CG2 4.26Å; D1589-T1591 PolarHBondContact O-N 3.46Å; D1589-T1591 PolarHBondContact O-OG1 3.49Å; D1589-Q1734 PolarHBondContact OD2-NE2 3.17Å
1590	N	46.9	Very low	46.1	Very low	96 Å²	96	89.1 Å²	89.1	51%	0.513	51%	0.507	S	S	.	.			trans	-71.9	63.7	172.9	-80.3	-12.8	0	0	0	112.1	M1588 T1592	M1588-N1590 PolarHBondContact O-N 3.21Å; N1590-T1592 PolarHBondContact O-N 2.87Å
1591	T	35.6	Very low	46.1	Very low	126 Å²	126	88.3 Å²	88.3	77%	0.773	51%	0.506	S	S	*	.			trans	-82.1	38.4	-176	42.7	0	0	0	0	113.9	D1589	D1589-T1591 HydrophobicContact CB-CG2 4.26Å; D1589-T1591 PolarHBondContact O-N 3.46Å; D1589-T1591 PolarHBondContact O-OG1 3.49Å
1592	T	34.4	Very low	46.2	Very low	115 Å²	115	90 Å²	90	71%	0.706	52%	0.515	S	S	*	.			trans	-143.8	89.1	174.4	56.9	0	0	0	0	111.9	N1590	N1590-T1592 PolarHBondContact O-N 2.87Å
1593	D	32.2	Very low	46.6	Very low	164 Å²	164	87.7 Å²	87.7	88%	0.877	50%	0.5	S	S	*	.				172.9	134.5	121.8	-89.4	-17.3	0	0	0	111
1594	N	31.3	Very low	46.8	Very low	149 Å²	149	86.5 Å²	86.5	80%	0.797	49%	0.494	S	S	*	.			trans	-86.7	145.6	176.9	-86.6	-61.4	0	0	0	111.5
1595	N	30.9	Very low	47.2	Very low	143 Å²	143	84.3 Å²	84.3	77%	0.765	48%	0.482	S	S	*	.	S	Bend	trans	85.5	145.7	173.9	-46.4	-76.2	0	0	0	117.1
1596	N	30.9	Very low	47.5	Very low	159 Å²	159	82.5 Å²	82.5	85%	0.85	47%	0.471	S	S	*	.			trans	80.8	121.9	174.4	-53.2	-39.8	0	0	0	117	N1598	N1596-N1598 PolarHBondContact O-N 2.95Å
1597	N	28.4	Very low	47.8	Very low	156 Å²	156	82.1 Å²	82.1	83%	0.834	47%	0.469	S	S	*	.			trans	-61.8	118.7	171.3	-47.4	-25.4	0	0	0	109.8
1598	N	30.9	Very low	48.1	Very low	148 Å²	148	81.4 Å²	81.4	79%	0.791	46%	0.464	S	S	*	.	S	Bend	trans	178.4	116.6	148.3	-91.8	-26	0	0	0	111.8	N1596 S1600	N1596-N1598 PolarHBondContact O-N 2.95Å; N1598-S1600 PolarHBondContact O-N 3.27Å
1599	S	30.6	Very low	48.2	Very low	123 Å²	123	80.5 Å²	80.5	86%	0.86	46%	0.46	S	S	*	.			trans	30.3	70.3	149.4	64.1	0	0	0	0	119.4	S1601	S1599-S1601 PolarHBondContact O-N 3.17Å
1600	S	40	Very low	48.7	Very low	105 Å²	105	77.3 Å²	77.3	73%	0.734	44%	0.442	S	S	*	.			trans	-93.8	66.2	179.6	49.3	0	0	0	0	114.4	N1598	N1598-S1600 PolarHBondContact O-N 3.27Å
1601	S	49.3	Very low	49	Very low	45 Å²	45	74.3 Å²	74.3	32%	0.315	43%	0.425	S	S	.	.			trans	30	102.9	161.7	64.9	0	0	0	0	119.3	S1599 I1603	S1599-S1601 PolarHBondContact O-N 3.17Å; S1601-I1603 PolarHBondContact O-N 3.4Å
1602	N	55.7	Low	49.9	Very low	41 Å²	41	70.9 Å²	70.9	22%	0.219	42%	0.415	C	S	.	.			trans	-67.8	123	160.1	-65.6	-19.1	0	0	0	109.6	N1523	N1523-N1602 PolarHBondContact ND2-OD1 2.88Å
1603	I	65.1	Low	51	Low	2 Å²	2	69 Å²	69	1%	0.01	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	121.2	176.8	-50	-177.4	0	0	0	110.5	M1588 S1601 Y1605 L1620 W1621 K1622 H1705	M1588-I1603 HydrophobicContact CB-CB 4.32Å; M1588-I1603 PolarHBondContact N-O 2.94Å; M1588-I1603 VanDerWaalsContact N-O 3.16Å; S1601-I1603 PolarHBondContact O-N 3.4Å; I1603-Y1605 HydrophobicContact CG2-CE2 4.09Å; I1603-L1620 HydrophobicContact CG2-CD1 3.63Å; I1603-W1621 WeakPolarHBondContact CA-O 3.2Å; I1603-K1622 HydrophobicContact CD1-CD 3.77Å; I1603-K1622 HydrophobicContact CG1-CD 3.79Å; I1603-K1622 HydrophobicContact CG1-CG 4.07Å; I1603-H1705 WeakPolarHBondContact CD1-ND1 3.2Å
1604	S	67.5	Low	52.1	Low	1 Å²	1	63 Å²	63	1%	0.007	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.2	178.2	-44	0	0	0	0	111	D1587 L1620 W1621	D1587-S1604 WeakPolarHBondContact OD1-CB 3.4Å; D1587-S1604 PolarHBondContact OD1-OG 2.83Å; S1604-L1620 CarbonylContact O-C 3.56Å; S1604-L1620 WeakPolarHBondContact O-CA 3.35Å; S1604-W1621 PolarHBondContact N-O 2.8Å; S1604-W1621 PolarHBondContact O-N 3.47Å
1605	Y	72	Confident	53.8	Low	4 Å²	4	57.8 Å²	57.8	2%	0.016	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.4	172.7	-65	-96.6	0	0	0	109.9	V1585 V1586 M1588 I1603 W1619 L1620 L1629 I1677 I1701 H1705	V1585-Y1605 CarbonylContact C-O 3.48Å; V1585-Y1605 WeakPolarHBondContact CA-O 3.26Å; V1586-Y1605 PolarHBondContact N-O 2.85Å; V1586-Y1605 PolarHBondContact O-N 3.44Å; M1588-Y1605 HydrophobicContact CG-CE2 4.06Å; I1603-Y1605 HydrophobicContact CG2-CE2 4.09Å; Y1605-W1619 CarbonylContact C-O 3.46Å; Y1605-W1619 WeakPolarHBondContact CA-O 3.31Å; Y1605-L1620 HydrophobicContact CD1-CD1 4.03Å; Y1605-L1620 HydrophobicContact CE1-CD1 3.69Å; Y1605-L1620 HydrophobicContact CE2-CD1 4.3Å; Y1605-L1620 HydrophobicContact CG-CD1 4.47Å; Y1605-L1629 HydrophobicContact CD1-CD1 3.64Å; Y1605-L1629 HydrophobicContact CE1-CD1 3.52Å; Y1605-I1677 HydrophobicContact CD2-CD1 3.5Å; Y1605-I1677 VanDerWaalsContact CD2-CD1 3.5Å; Y1605-I1677 HydrophobicContact CE2-CD1 3.81Å; Y1605-I1677 HydrophobicContact CG-CD1 4.34Å; Y1605-I1701 HydrophobicContact CD2-CD1 4.45Å; Y1605-I1701 HydrophobicContact CE1-CD1 4.37Å; Y1605-I1701 HydrophobicContact CE2-CD1 3.95Å; Y1605-I1701 VanDerWaalsContact OH-CG2 3.24Å; Y1605-I1701 WeakPolarHBondContact OH-CG2 3.48Å; Y1605-H1705 PolarHBondContact OH-ND1 2.8Å
1606	I	70.7	Confident	55.6	Low	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	104.5	-174.9	-56.7	161	0	0	0	108	I1520 L1527 I1583 V1585 I1618 W1619 W1621 L1626	I1520-I1606 HydrophobicContact CG2-CD1 3.66Å; I1520-I1606 HydrophobicContact CG2-CG1 3.8Å; L1527-I1606 HydrophobicContact CD1-CD1 3.92Å; I1583-I1606 HydrophobicContact CG2-CG2 3.6Å; V1585-I1606 HydrophobicContact CG1-CG1 4.42Å; V1585-I1606 HydrophobicContact CG2-CG1 4.3Å; V1585-I1606 HydrophobicContact CG2-CG2 4.41Å; I1606-I1618 CarbonylContact O-C 3.57Å; I1606-I1618 WeakPolarHBondContact O-CA 3.17Å; I1606-W1619 HydrophobicContact CB-CB 4.25Å; I1606-W1619 PolarHBondContact N-O 3.36Å; I1606-W1619 PolarHBondContact O-N 3.23Å; I1606-W1621 HydrophobicContact CD1-CB 4.26Å; I1606-L1626 HydrophobicContact CD1-CD1 3.69Å
1607	I	71.1	Confident	57.6	Low	2 Å²	2	44.4 Å²	44.4	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	129.6	178.3	-49	-177.9	0	0	0	108.5	I1583 N1584 V1586 L1616 I1618 S1675 L1682 I1684	I1583-I1607 CarbonylContact C-O 3.58Å; I1583-I1607 VanDerWaalsContact CA-O 3.24Å; I1583-I1607 WeakPolarHBondContact CA-O 3.46Å; N1584-I1607 PolarHBondContact N-O 3.31Å; N1584-I1607 WeakPolarHBondContact O-CB 3.48Å; N1584-I1607 PolarHBondContact O-N 3.08Å; V1586-I1607 HydrophobicContact CG2-CD1 4.46Å; I1607-L1616 HydrophobicContact CG2-CD1 3.65Å; I1607-L1616 HydrophobicContact CG2-CD2 4.48Å; I1607-L1616 HydrophobicContact CG2-CG 4.05Å; I1607-I1618 HydrophobicContact CG1-CD1 4.49Å; I1607-I1618 HydrophobicContact CG1-CG1 4.39Å; I1607-I1618 HydrophobicContact CG1-CG2 4.42Å; I1607-I1618 HydrophobicContact CG2-CG1 4.32Å; I1607-S1675 WeakPolarHBondContact CD1-OG 3.19Å; I1607-L1682 HydrophobicContact CD1-CD1 4.17Å; I1607-L1682 HydrophobicContact CD1-CD2 3.9Å; I1607-L1682 HydrophobicContact CD1-CG 4.21Å; I1607-L1682 HydrophobicContact CG1-CD2 4.37Å; I1607-I1684 HydrophobicContact CD1-CD1 3.77Å; I1607-I1684 HydrophobicContact CD1-CG1 3.83Å
1608	Q	69.1	Low	59.8	Low	22 Å²	22	37 Å²	37	10%	0.103	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120	177.6	179.7	-175.4	24.4	0	0	109.4	I1583 L1616 S1617	I1583-Q1608 HydrophobicContact CD1-CG 4.42Å; I1583-Q1608 HydrophobicContact CG1-CB 4.02Å; I1583-Q1608 HydrophobicContact CG1-CG 3.98Å; Q1608-L1616 CarbonylContact O-C 3.57Å; Q1608-L1616 WeakPolarHBondContact O-CA 3.42Å; Q1608-S1617 PolarHBondContact N-O 2.8Å; Q1608-S1617 PolarHBondContact O-N 2.83Å; Q1608-S1617 PolarHBondContact OE1-OG 3.22Å
1609	L	66.9	Low	61.8	Low	1 Å²	1	33 Å²	33	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	108.9	171.4	-177.2	103.5	0	0	0	110.6	S1581 T1582 Q1611 K1615 L1616 L1635 L1671 I1673	S1581-L1609 CarbonylContact C-O 3.48Å; S1581-L1609 WeakPolarHBondContact CA-O 3.34Å; T1582-L1609 PolarHBondContact N-O 2.94Å; T1582-L1609 PolarHBondContact O-N 2.9Å; L1609-Q1611 HydrophobicContact CD2-CG 3.67Å; L1609-Q1611 PolarHBondContact O-N 2.96Å; L1609-Q1611 VanDerWaalsContact O-N 3.13Å; L1609-K1615 CarbonylContact C-O 3.59Å; L1609-K1615 VanDerWaalsContact CA-O 3.29Å; L1609-K1615 WeakPolarHBondContact CA-O 3.5Å; L1609-L1616 HydrophobicContact CB-CD1 4.34Å; L1609-L1616 HydrophobicContact CD1-CB 4.27Å; L1609-L1616 HydrophobicContact CD1-CD1 3.86Å; L1609-L1635 HydrophobicContact CD1-CD1 3.44Å; L1609-L1635 VanDerWaalsContact CD1-CD1 3.44Å; L1609-L1671 HydrophobicContact CD2-CD1 4.33Å; L1609-L1671 HydrophobicContact CD2-CD2 4.33Å; L1609-I1673 HydrophobicContact CB-CD1 3.56Å; L1609-I1673 HydrophobicContact CD1-CD1 3.92Å; L1609-I1673 HydrophobicContact CD2-CD1 3.7Å; L1609-I1673 HydrophobicContact CG-CD1 3.89Å
1610	Q	62.5	Low	63.8	Low	21 Å²	21	27.2 Å²	27.2	10%	0.098	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	105.1	161.7	-64.5	173.9	-16.1	0	0	108.7	I1577 N1580 I1613 Y1614 K1615	I1577-Q1610 HydrophobicContact CG2-CG 4.39Å; N1580-Q1610 CarbonylContact O-C 3.54Å; N1580-Q1610 WeakPolarHBondContact O-CA 3.33Å; Q1610-I1613 HydrophobicContact CB-CB 4.5Å; Q1610-Y1614 CarbonylContact O-C 3.58Å; Q1610-Y1614 WeakPolarHBondContact O-CA 3.32Å; Q1610-Y1614 PolarHBondContact O-N 3.26Å; Q1610-K1615 HydrophobicContact CB-CB 4.12Å; Q1610-K1615 PolarHBondContact N-O 3.36Å; Q1610-K1615 PolarHBondContact O-N 2.76Å
1611	Q	53	Low	65.2	Low	33 Å²	33	22.8 Å²	22.8	15%	0.154	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	164	163.6	-62.1	-179.1	0.8	0	0	108.9	N1580 T1582 L1609 I1613 L1671	N1580-Q1611 HydrophobicContact CB-CB 3.71Å; N1580-Q1611 PolarHBondContact O-N 3.49Å; T1582-Q1611 VanDerWaalsContact CG2-NE2 3.32Å; L1609-Q1611 HydrophobicContact CD2-CG 3.67Å; L1609-Q1611 PolarHBondContact O-N 2.96Å; L1609-Q1611 VanDerWaalsContact O-N 3.13Å; Q1611-I1613 PolarHBondContact O-N 2.98Å; Q1611-L1671 HydrophobicContact CG-CB 4.41Å; Q1611-L1671 PolarHBondContact NE2-O 3.18Å
1612	G	54.9	Low	65.9	Low	54 Å²	54	22 Å²	22	56%	0.557	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	-49.4	-178.4	0	0	0	0	0	115.1	Y1614	G1612-Y1614 VanDerWaalsContact O-CD2 3.25Å; G1612-Y1614 WeakPolarHBondContact O-CD2 3.5Å; G1612-Y1614 VanDerWaalsContact O-CE2 3.3Å; G1612-Y1614 WeakPolarHBondContact O-CE2 3.42Å
1613	I	57.9	Low	66.2	Low	75 Å²	75	24 Å²	24	39%	0.385	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-21.5	167.5	-38.8	-177.5	0	0	0	110.9	Q1610 Q1611 K1615	Q1610-I1613 HydrophobicContact CB-CB 4.5Å; Q1611-I1613 PolarHBondContact O-N 2.98Å; I1613-K1615 HydrophobicContact CG2-CD 3.84Å; I1613-K1615 HydrophobicContact CG2-CG 4.14Å
1614	Y	55.8	Low	65.8	Low	39 Å²	39	28.2 Å²	28.2	15%	0.153	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	55.1	-177.9	-55.1	-95.7	0	0	0	111.8	Q1610 G1612 N1634 L1635 I1636 L1661 M1665 L1671	Q1610-Y1614 CarbonylContact O-C 3.58Å; Q1610-Y1614 WeakPolarHBondContact O-CA 3.32Å; Q1610-Y1614 PolarHBondContact O-N 3.26Å; G1612-Y1614 VanDerWaalsContact O-CD2 3.25Å; G1612-Y1614 WeakPolarHBondContact O-CD2 3.5Å; G1612-Y1614 VanDerWaalsContact O-CE2 3.3Å; G1612-Y1614 WeakPolarHBondContact O-CE2 3.42Å; Y1614-N1634 CarbonylContact O-C 3.6Å; Y1614-N1634 WeakPolarHBondContact O-CA 3.5Å; Y1614-L1635 WeakPolarHBondContact O-CG 3.41Å; Y1614-L1635 PolarHBondContact O-N 2.86Å; Y1614-I1636 HydrophobicContact CD2-CD1 3.28Å; Y1614-I1636 HydrophobicContact CD2-CG1 4.04Å; Y1614-I1636 HydrophobicContact CE2-CD1 3.61Å; Y1614-I1636 HydrophobicContact CG-CD1 3.78Å; Y1614-I1636 HydrophobicContact CG-CG1 4.06Å; Y1614-L1661 HydrophobicContact CD1-CD1 3.69Å; Y1614-L1661 HydrophobicContact CE1-CD1 4.23Å; Y1614-M1665 PolarHBondContact OH-SD 3.39Å; Y1614-L1671 HydrophobicContact CD1-CD1 4.15Å; Y1614-L1671 HydrophobicContact CE1-CD1 4.1Å
1615	K	66.3	Low	65.4	Low	40 Å²	40	31.1 Å²	31.1	17%	0.174	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.1	-180	-87.2	175.7	154.6	-163.7	0	111.5	L1609 Q1610 I1613 P1632 I1633 N1634	L1609-K1615 CarbonylContact C-O 3.59Å; L1609-K1615 VanDerWaalsContact CA-O 3.29Å; L1609-K1615 WeakPolarHBondContact CA-O 3.5Å; Q1610-K1615 HydrophobicContact CB-CB 4.12Å; Q1610-K1615 PolarHBondContact N-O 3.36Å; Q1610-K1615 PolarHBondContact O-N 2.76Å; I1613-K1615 HydrophobicContact CG2-CD 3.84Å; I1613-K1615 HydrophobicContact CG2-CG 4.14Å; K1615-P1632 HydrophobicContact CB-CB 3.92Å; K1615-P1632 HydrophobicContact CD-CB 3.83Å; K1615-P1632 HydrophobicContact CD-CG 4.49Å; K1615-P1632 HydrophobicContact CG-CB 4.03Å; K1615-I1633 CarbonylContact C-O 3.53Å; K1615-I1633 VanDerWaalsContact CA-O 3.29Å; K1615-I1633 WeakPolarHBondContact CA-O 3.35Å; K1615-N1634 WeakPolarHBondContact CE-OD1 3.4Å; K1615-N1634 WeakPolarHBondContact CG-OD1 3.1Å
1616	L	68.3	Low	65	Low	16 Å²	16	33.3 Å²	33.3	8%	0.084	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.7	175.4	-169.5	105.9	0	0	0	111.1	I1607 Q1608 L1609 I1618 P1632 I1633 L1635 I1684	I1607-L1616 HydrophobicContact CG2-CD1 3.65Å; I1607-L1616 HydrophobicContact CG2-CD2 4.48Å; I1607-L1616 HydrophobicContact CG2-CG 4.05Å; Q1608-L1616 CarbonylContact O-C 3.57Å; Q1608-L1616 WeakPolarHBondContact O-CA 3.42Å; L1609-L1616 HydrophobicContact CB-CD1 4.34Å; L1609-L1616 HydrophobicContact CD1-CB 4.27Å; L1609-L1616 HydrophobicContact CD1-CD1 3.86Å; L1616-I1618 HydrophobicContact CD2-CG1 4.49Å; L1616-P1632 CarbonylContact O-C 3.56Å; L1616-P1632 WeakPolarHBondContact O-CA 3.16Å; L1616-I1633 PolarHBondContact N-O 2.6Å; L1616-I1633 PolarHBondContact O-N 3.12Å; L1616-L1635 HydrophobicContact CB-CD2 4.39Å; L1616-I1684 HydrophobicContact CD2-CD1 4.24Å
1617	S	73.1	Confident	64.8	Low	4 Å²	4	38 Å²	38	3%	0.028	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	157.6	169.4	32.7	0	0	0	0	110.7	Q1608 I1630	Q1608-S1617 PolarHBondContact N-O 2.8Å; Q1608-S1617 PolarHBondContact O-N 2.83Å; Q1608-S1617 PolarHBondContact OE1-OG 3.22Å; S1617-I1630 CarbonylContact C-O 3.51Å; S1617-I1630 VanDerWaalsContact CA-O 3.22Å; S1617-I1630 WeakPolarHBondContact CA-O 3.47Å; S1617-I1630 VanDerWaalsContact CB-O 3.29Å; S1617-I1630 WeakPolarHBondContact CB-O 3.48Å
1618	I	74.3	Confident	64.6	Low	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.2	176.7	-50	-175.8	0	0	0	109.5	I1606 I1607 L1616 L1629 I1630 L1682 I1699	I1606-I1618 CarbonylContact O-C 3.57Å; I1606-I1618 WeakPolarHBondContact O-CA 3.17Å; I1607-I1618 HydrophobicContact CG1-CD1 4.49Å; I1607-I1618 HydrophobicContact CG1-CG1 4.39Å; I1607-I1618 HydrophobicContact CG1-CG2 4.42Å; I1607-I1618 HydrophobicContact CG2-CG1 4.32Å; L1616-I1618 HydrophobicContact CD2-CG1 4.49Å; I1618-L1629 WeakPolarHBondContact O-CA 3.11Å; I1618-L1629 WeakPolarHBondContact O-CB 3.07Å; I1618-L1629 PolarHBondContact O-N 3.06Å; I1618-I1630 HydrophobicContact CB-CB 4.09Å; I1618-I1630 HydrophobicContact CD1-CD1 4.27Å; I1618-I1630 HydrophobicContact CG1-CB 4.21Å; I1618-I1630 PolarHBondContact N-O 3.15Å; I1618-I1630 PolarHBondContact O-N 3.32Å; I1618-L1682 HydrophobicContact CD1-CD2 3.88Å; I1618-I1699 HydrophobicContact CD1-CD1 4.09Å
1619	W	73.6	Confident	64.4	Low	65 Å²	65	43 Å²	43	25%	0.246	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	165	173.9	-50.5	74.4	0	0	0	110.6	Y1605 I1606 L1626 K1627 H1628	Y1605-W1619 CarbonylContact C-O 3.46Å; Y1605-W1619 WeakPolarHBondContact CA-O 3.31Å; I1606-W1619 HydrophobicContact CB-CB 4.25Å; I1606-W1619 PolarHBondContact N-O 3.36Å; I1606-W1619 PolarHBondContact O-N 3.23Å; W1619-L1626 HydrophobicContact CB-CD1 4.36Å; W1619-L1626 HydrophobicContact CD2-CD2 4.44Å; W1619-L1626 HydrophobicContact CE3-CD2 3.77Å; W1619-L1626 HydrophobicContact CE3-CG 4.06Å; W1619-L1626 HydrophobicContact CZ3-CD2 4.1Å; W1619-K1627 CarbonylContact C-O 3.57Å; W1619-K1627 WeakPolarHBondContact CA-O 3.24Å; W1619-H1628 HydrophobicContact CD2-CB 4.17Å; W1619-H1628 AromaticContact CD2-CD2 3.57Å; W1619-H1628 AromaticContact CE2-CD2 3.49Å; W1619-H1628 VanDerWaalsContact CE2-CD2 3.49Å; W1619-H1628 HydrophobicContact CE3-CB 3.65Å; W1619-H1628 AromaticContact CE3-CD2 3.95Å; W1619-H1628 HydrophobicContact CH2-CB 4.32Å; W1619-H1628 AromaticContact CZ2-CD2 3.8Å; W1619-H1628 HydrophobicContact CZ3-CB 3.74Å; W1619-H1628 AromaticContact NE1-CD2 3.91Å
1620	L	72.3	Confident	64.3	Low	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.2	177.6	-178	74.2	0	0	0	108.5	I1603 S1604 Y1605 K1622 L1626 K1627 L1629 Y1706	I1603-L1620 HydrophobicContact CG2-CD1 3.63Å; S1604-L1620 CarbonylContact O-C 3.56Å; S1604-L1620 WeakPolarHBondContact O-CA 3.35Å; Y1605-L1620 HydrophobicContact CD1-CD1 4.03Å; Y1605-L1620 HydrophobicContact CE1-CD1 3.69Å; Y1605-L1620 HydrophobicContact CE2-CD1 4.3Å; Y1605-L1620 HydrophobicContact CG-CD1 4.47Å; L1620-K1622 HydrophobicContact CD2-CB 4.39Å; L1620-K1622 HydrophobicContact CG-CB 4.3Å; L1620-L1626 CarbonylContact O-C 3.59Å; L1620-L1626 WeakPolarHBondContact O-CA 3.29Å; L1620-K1627 HydrophobicContact CB-CB 4.48Å; L1620-K1627 PolarHBondContact N-O 3.16Å; L1620-K1627 PolarHBondContact O-N 3.26Å; L1620-L1629 HydrophobicContact CB-CD1 3.72Å; L1620-L1629 HydrophobicContact CB-CG 3.94Å; L1620-L1629 HydrophobicContact CD1-CD1 4.22Å; L1620-L1629 HydrophobicContact CG-CD1 4.41Å; L1620-Y1706 HydrophobicContact CD2-CD1 3.79Å; L1620-Y1706 HydrophobicContact CD2-CE1 3.99Å
1621	W	69.4	Low	64.2	Low	11 Å²	11	44.7 Å²	44.7	4%	0.042	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122	162.9	179.9	-121.5	0	0	0	108.2	L1527 P1541 I1603 S1604 I1606 N1624 T1625 L1626	L1527-W1621 HydrophobicContact CD1-CB 3.96Å; L1527-W1621 HydrophobicContact CD1-CD2 3.39Å; L1527-W1621 HydrophobicContact CD1-CE3 3.47Å; L1527-W1621 VanDerWaalsContact CD1-CE3 3.47Å; L1527-W1621 HydrophobicContact CD1-CG 3.65Å; L1527-W1621 HydrophobicContact CD1-CH2 4.48Å; L1527-W1621 HydrophobicContact CD1-CZ2 4.44Å; L1527-W1621 HydrophobicContact CD1-CZ3 4.04Å; L1527-W1621 HydrophobicContact CD2-CD2 4.45Å; L1527-W1621 HydrophobicContact CD2-CE3 4.07Å; L1527-W1621 HydrophobicContact CD2-CH2 3.79Å; L1527-W1621 HydrophobicContact CD2-CZ2 4.19Å; L1527-W1621 HydrophobicContact CD2-CZ3 3.73Å; L1527-W1621 HydrophobicContact CG-CD2 3.76Å; L1527-W1621 HydrophobicContact CG-CE3 3.87Å; L1527-W1621 HydrophobicContact CG-CG 4.35Å; L1527-W1621 HydrophobicContact CG-CH2 3.95Å; L1527-W1621 HydrophobicContact CG-CZ2 3.86Å; L1527-W1621 HydrophobicContact CG-CZ3 3.96Å; P1541-W1621 HydrophobicContact CB-CH2 4.05Å; I1603-W1621 WeakPolarHBondContact CA-O 3.2Å; S1604-W1621 PolarHBondContact N-O 2.8Å; S1604-W1621 PolarHBondContact O-N 3.47Å; I1606-W1621 HydrophobicContact CD1-CB 4.26Å; W1621-N1624 HydrophobicContact CH2-CB 4.33Å; W1621-N1624 VanDerWaalsContact CH2-O 3.3Å; W1621-N1624 WeakPolarHBondContact CH2-O 3.22Å; W1621-N1624 HydrophobicContact CZ2-CB 4.45Å; W1621-N1624 WeakPolarHBondContact CZ3-O 3.27Å; W1621-T1625 WeakPolarHBondContact CA-O 3.3Å; W1621-T1625 VanDerWaalsContact CE3-O 3.3Å; W1621-L1626 HydrophobicContact CE3-CB 4.06Å; W1621-L1626 HydrophobicContact CE3-CD1 4.33Å; W1621-L1626 HydrophobicContact CZ3-CB 4.29Å
1622	K	64.9	Low	64.4	Low	29 Å²	29	46 Å²	46	13%	0.126	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	137.9	176.8	178.3	167.6	-169.9	-75.3	0	110.8	I1603 L1620 N1624 T1625 Y1706	I1603-K1622 HydrophobicContact CD1-CD 3.77Å; I1603-K1622 HydrophobicContact CG1-CD 3.79Å; I1603-K1622 HydrophobicContact CG1-CG 4.07Å; L1620-K1622 HydrophobicContact CD2-CB 4.39Å; L1620-K1622 HydrophobicContact CG-CB 4.3Å; K1622-N1624 VanDerWaalsContact C-N 3.29Å; K1622-N1624 PolarHBondContact O-N 3.47Å; K1622-T1625 PolarHBondContact N-O 2.81Å; K1622-T1625 WeakPolarHBondContact O-CA 3.3Å; K1622-T1625 PolarHBondContact O-N 2.85Å; K1622-T1625 VanDerWaalsContact O-O 3.12Å; K1622-T1625 PolarHBondContact O-OG1 3.36Å; K1622-Y1706 HydrophobicContact CD-CE1 4.28Å; K1622-Y1706 PolarHBondContact NZ-OH 3.41Å
1623	D	61.5	Low	64.7	Low	84 Å²	84	45.7 Å²	45.7	45%	0.449	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	44.7	175.9	-46	-31.6	0	0	0	113.1	T1625	D1623-T1625 PolarHBondContact O-N 2.86Å
1624	N	56.1	Low	64.6	Low	89 Å²	89	46.3 Å²	46.3	48%	0.476	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	18.1	-173.2	-56.1	-19	0	0	0	115.5	W1621 K1622	W1621-N1624 HydrophobicContact CH2-CB 4.33Å; W1621-N1624 VanDerWaalsContact CH2-O 3.3Å; W1621-N1624 WeakPolarHBondContact CH2-O 3.22Å; W1621-N1624 HydrophobicContact CZ2-CB 4.45Å; W1621-N1624 WeakPolarHBondContact CZ3-O 3.27Å; K1622-N1624 VanDerWaalsContact C-N 3.29Å; K1622-N1624 PolarHBondContact O-N 3.47Å
1625	T	59.1	Low	64.6	Low	63 Å²	63	44.9 Å²	44.9	39%	0.387	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137.1	176.8	68.9	0	0	0	0	112.3	W1621 K1622 D1623	W1621-T1625 WeakPolarHBondContact CA-O 3.3Å; W1621-T1625 VanDerWaalsContact CE3-O 3.3Å; K1622-T1625 PolarHBondContact N-O 2.81Å; K1622-T1625 WeakPolarHBondContact O-CA 3.3Å; K1622-T1625 PolarHBondContact O-N 2.85Å; K1622-T1625 VanDerWaalsContact O-O 3.12Å; K1622-T1625 PolarHBondContact O-OG1 3.36Å; D1623-T1625 PolarHBondContact O-N 2.86Å
1626	L	63.4	Low	63.8	Low	50 Å²	50	46.5 Å²	46.5	26%	0.262	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126	172.6	-168.5	82.5	0	0	0	109.5	L1527 I1539 L1565 I1606 W1619 L1620 W1621	L1527-L1626 HydrophobicContact CD1-CD1 3.84Å; I1539-L1626 HydrophobicContact CD1-CD2 4.48Å; L1565-L1626 HydrophobicContact CD1-CD2 4.34Å; I1606-L1626 HydrophobicContact CD1-CD1 3.69Å; W1619-L1626 HydrophobicContact CB-CD1 4.36Å; W1619-L1626 HydrophobicContact CD2-CD2 4.44Å; W1619-L1626 HydrophobicContact CE3-CD2 3.77Å; W1619-L1626 HydrophobicContact CE3-CG 4.06Å; W1619-L1626 HydrophobicContact CZ3-CD2 4.1Å; L1620-L1626 CarbonylContact O-C 3.59Å; L1620-L1626 WeakPolarHBondContact O-CA 3.29Å; W1621-L1626 HydrophobicContact CE3-CB 4.06Å; W1621-L1626 HydrophobicContact CE3-CD1 4.33Å; W1621-L1626 HydrophobicContact CZ3-CB 4.29Å
1627	K	66.8	Low	62.5	Low	97 Å²	97	51 Å²	51	42%	0.422	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135	176.4	-63.6	-174.6	-177.2	-177.1	0	110.7	W1619 L1620 Y1706	W1619-K1627 CarbonylContact C-O 3.57Å; W1619-K1627 WeakPolarHBondContact CA-O 3.24Å; L1620-K1627 HydrophobicContact CB-CB 4.48Å; L1620-K1627 PolarHBondContact N-O 3.16Å; L1620-K1627 PolarHBondContact O-N 3.26Å; K1627-Y1706 HydrophobicContact CD-CD1 4.14Å; K1627-Y1706 HydrophobicContact CD-CE1 4.14Å
1628	H	67	Low	60.7	Low	94 Å²	94	59.2 Å²	59.2	44%	0.435	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	127.4	173.9	-166.4	-150.9	0	0	0	109.5	W1619 I1630	W1619-H1628 HydrophobicContact CD2-CB 4.17Å; W1619-H1628 AromaticContact CD2-CD2 3.57Å; W1619-H1628 AromaticContact CE2-CD2 3.49Å; W1619-H1628 VanDerWaalsContact CE2-CD2 3.49Å; W1619-H1628 HydrophobicContact CE3-CB 3.65Å; W1619-H1628 AromaticContact CE3-CD2 3.95Å; W1619-H1628 HydrophobicContact CH2-CB 4.32Å; W1619-H1628 AromaticContact CZ2-CD2 3.8Å; W1619-H1628 HydrophobicContact CZ3-CB 3.74Å; W1619-H1628 AromaticContact NE1-CD2 3.91Å; H1628-I1630 PolarHBondContact NE2-O 3.41Å
1629	L	65.9	Low	58.7	Low	37 Å²	37	65.3 Å²	65.3	19%	0.194	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-46.9	-177	-90.8	177.8	0	0	0	112.9	Y1605 I1618 L1620 L1708	Y1605-L1629 HydrophobicContact CD1-CD1 3.64Å; Y1605-L1629 HydrophobicContact CE1-CD1 3.52Å; I1618-L1629 WeakPolarHBondContact O-CA 3.11Å; I1618-L1629 WeakPolarHBondContact O-CB 3.07Å; I1618-L1629 PolarHBondContact O-N 3.06Å; L1620-L1629 HydrophobicContact CB-CD1 3.72Å; L1620-L1629 HydrophobicContact CB-CG 3.94Å; L1620-L1629 HydrophobicContact CD1-CD1 4.22Å; L1620-L1629 HydrophobicContact CG-CD1 4.41Å; L1629-L1708 HydrophobicContact CB-CD1 4.04Å; L1629-L1708 HydrophobicContact CD1-CD1 4.13Å; L1629-L1708 HydrophobicContact CD2-CD1 4.3Å; L1629-L1708 HydrophobicContact CG-CD1 4.41Å
1630	I	65.2	Low	56.6	Low	18 Å²	18	70.1 Å²	70.1	9%	0.092	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.9	178.5	-78.9	-177.7	0	0	0	109	S1617 I1618 H1628 I1633 L1708	S1617-I1630 CarbonylContact C-O 3.51Å; S1617-I1630 VanDerWaalsContact CA-O 3.22Å; S1617-I1630 WeakPolarHBondContact CA-O 3.47Å; S1617-I1630 VanDerWaalsContact CB-O 3.29Å; S1617-I1630 WeakPolarHBondContact CB-O 3.48Å; I1618-I1630 HydrophobicContact CB-CB 4.09Å; I1618-I1630 HydrophobicContact CD1-CD1 4.27Å; I1618-I1630 HydrophobicContact CG1-CB 4.21Å; I1618-I1630 PolarHBondContact N-O 3.15Å; I1618-I1630 PolarHBondContact O-N 3.32Å; H1628-I1630 PolarHBondContact NE2-O 3.41Å; I1630-I1633 HydrophobicContact CG2-CD1 3.67Å; I1630-I1633 HydrophobicContact CG2-CG1 3.84Å; I1630-L1708 HydrophobicContact CD1-CD1 3.77Å; I1630-L1708 HydrophobicContact CG1-CD1 3.84Å
1631	G	58.6	Low	54.6	Low	39 Å²	39	79.2 Å²	79.2	40%	0.402	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	159.8	171.9	0	0	0	0	0	112.8	I1633	G1631-I1633 PolarHBondContact O-N 3.1Å
1632	P	58.1	Low	52.8	Low	59 Å²	59	85.8 Å²	85.8	38%	0.383	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	101.6	-165.8	23.2	-34.7	0	0	0	114.3	K1615 L1616 N1634	K1615-P1632 HydrophobicContact CB-CB 3.92Å; K1615-P1632 HydrophobicContact CD-CB 3.83Å; K1615-P1632 HydrophobicContact CD-CG 4.49Å; K1615-P1632 HydrophobicContact CG-CB 4.03Å; L1616-P1632 CarbonylContact O-C 3.56Å; L1616-P1632 WeakPolarHBondContact O-CA 3.16Å; P1632-N1634 PolarHBondContact O-N 3.32Å
1633	I	61.4	Low	51	Low	49 Å²	49	93.1 Å²	93.1	25%	0.251	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	117.6	175.8	-55	178.5	0	0	0	109.4	K1615 L1616 I1630 G1631 L1635	K1615-I1633 CarbonylContact C-O 3.53Å; K1615-I1633 VanDerWaalsContact CA-O 3.29Å; K1615-I1633 WeakPolarHBondContact CA-O 3.35Å; L1616-I1633 PolarHBondContact N-O 2.6Å; L1616-I1633 PolarHBondContact O-N 3.12Å; I1630-I1633 HydrophobicContact CG2-CD1 3.67Å; I1630-I1633 HydrophobicContact CG2-CG1 3.84Å; G1631-I1633 PolarHBondContact O-N 3.1Å; I1633-L1635 PolarHBondContact O-N 3.46Å
1634	N	55.7	Low	49.5	Very low	88 Å²	88	95.6 Å²	95.6	47%	0.471	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	127.4	168.8	-77.3	2.6	0	0	0	110.6	Y1614 K1615 P1632 I1636	Y1614-N1634 CarbonylContact O-C 3.6Å; Y1614-N1634 WeakPolarHBondContact O-CA 3.5Å; K1615-N1634 WeakPolarHBondContact CE-OD1 3.4Å; K1615-N1634 WeakPolarHBondContact CG-OD1 3.1Å; P1632-N1634 PolarHBondContact O-N 3.32Å; N1634-I1636 VanDerWaalsContact C-N 3.32Å
1635	L	55.6	Low	48.3	Very low	8 Å²	8	96.3 Å²	96.3	4%	0.042	50%	0.502	C	S	.	.	S	Bend	trans	-93.3	10.7	170.4	-44.4	174	0	0	0	112.6	L1609 Y1614 L1616 I1633 I1659 L1661	L1609-L1635 HydrophobicContact CD1-CD1 3.44Å; L1609-L1635 VanDerWaalsContact CD1-CD1 3.44Å; Y1614-L1635 WeakPolarHBondContact O-CG 3.41Å; Y1614-L1635 PolarHBondContact O-N 2.86Å; L1616-L1635 HydrophobicContact CB-CD2 4.39Å; I1633-L1635 PolarHBondContact O-N 3.46Å; L1635-I1659 CarbonylContact C-O 3.52Å; L1635-I1659 HydrophobicContact CB-CG2 4.2Å; L1635-I1659 HydrophobicContact CD2-CG2 3.48Å; L1635-I1659 VanDerWaalsContact CD2-CG2 3.48Å; L1635-I1659 HydrophobicContact CG-CG2 4.42Å; L1635-L1661 HydrophobicContact CB-CD1 4.09Å; L1635-L1661 HydrophobicContact CD1-CD1 4.33Å
1636	I	50.6	Low	47.1	Very low	75 Å²	75	102 Å²	102	39%	0.385	52%	0.524	S	S	.	.	S	Bend	trans	-125.8	112.3	169.4	-64.9	-175.2	0	0	0	108.7	Y1614 N1634 K1638	Y1614-I1636 HydrophobicContact CD2-CD1 3.28Å; Y1614-I1636 HydrophobicContact CD2-CG1 4.04Å; Y1614-I1636 HydrophobicContact CE2-CD1 3.61Å; Y1614-I1636 HydrophobicContact CG-CD1 3.78Å; Y1614-I1636 HydrophobicContact CG-CG1 4.06Å; N1634-I1636 VanDerWaalsContact C-N 3.32Å; I1636-K1638 PolarHBondContact O-N 3.49Å
1637	D	40.6	Very low	45.7	Very low	109 Å²	109	110 Å²	110	58%	0.583	56%	0.558	S	S	*	*			trans	-70.9	114.8	167.9	-115.4	-21.5	0	0	0	109.6	P1639	D1637-P1639 WeakPolarHBondContact O-CD 3.32Å
1638	K	34.1	Very low	43.9	Very low	178 Å²	178	112 Å²	112	77%	0.774	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-85.4	119.9	168.2	-82	-173.2	176.4	179.4	0	109.6	I1636	I1636-K1638 PolarHBondContact O-N 3.49Å
1639	P	32.6	Very low	42.1	Very low	129 Å²	129	114.6 Å²	114.6	84%	0.838	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-61.7	149.2	166.3	25.9	-32.3	0	0	0	111	D1637	D1637-P1639 WeakPolarHBondContact O-CD 3.32Å
1640	Q	29.9	Very low	40.4	Very low	165 Å²	165	119.2 Å²	119.2	77%	0.771	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-88.8	153.3	-157.6	-59.4	167	-37.5	0	0	114.1
1641	H	30.7	Very low	38.7	Very low	193 Å²	193	123.9 Å²	123.9	89%	0.894	65%	0.646	S	S	*	*			trans	-144.6	79	155.4	-98.5	-69	0	0	0	112.8
1642	I	30.2	Very low	37.4	Very low	148 Å²	148	129.8 Å²	129.8	76%	0.759	66%	0.66	S	S	*	*			trans	21.7	118	143.5	-52.7	170.1	0	0	0	118.6
1643	K	27.9	Very low	36.2	Very low	183 Å²	183	136.4 Å²	136.4	80%	0.796	69%	0.686	S	S	*	*			trans	169.1	135.2	140.1	-93.5	179.9	-178.1	-174.8	0	107.5
1644	D	30.3	Very low	34.6	Very low	137 Å²	137	143.7 Å²	143.7	73%	0.733	72%	0.716	S	S	*	*			cis	-139.9	165.1	-8.2	-88.4	-50.8	0	0	0	109.3
1645	P	31.2	Very low	33.6	Very low	104 Å²	104	143.8 Å²	143.8	68%	0.675	72%	0.723	S	S	*	*			trans	-112.7	143.9	-154.9	38	-30.1	0	0	0	116.1
1646	Q	33.1	Very low	32.4	Very low	182 Å²	182	148 Å²	148	85%	0.85	75%	0.746	S	S	*	*			trans	-159.8	-21.1	156.2	-125.3	155.1	58.5	0	0	119.5	L1648	Q1646-L1648 PolarHBondContact O-N 2.9Å
1647	F	34.2	Very low	31.6	Very low	219 Å²	219	154.9 Å²	154.9	96%	0.961	77%	0.766	S	S	*	*			trans	-87.7	104.1	177.7	-83.5	-85.5	0	0	0	112.5
1648	L	29.5	Very low	31.5	Very low	137 Å²	137	152.9 Å²	152.9	72%	0.717	76%	0.761	S	S	*	*			trans	-105.1	158.8	178.6	-110.7	75.2	0	0	0	111.9	Q1646	Q1646-L1648 PolarHBondContact O-N 2.9Å
1649	N	29.7	Very low	32	Very low	149 Å²	149	145.3 Å²	145.3	80%	0.797	73%	0.729	S	S	*	*			trans	65.1	78.3	154.6	-56.5	-16.4	0	0	0	119.1
1650	D	30.3	Very low	32.3	Very low	134 Å²	134	142.3 Å²	142.3	72%	0.717	71%	0.711	S	S	*	*			trans	-146.6	132.7	137.4	-151.8	24.9	0	0	0	110	K1652	D1650-K1652 PolarHBondContact O-N 2.67Å; D1650-K1652 VanDerWaalsContact O-N 3.11Å
1651	P	29.2	Very low	33	Very low	117 Å²	117	135.5 Å²	135.5	76%	0.76	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	30	-142.9	36.5	-38.8	0	0	0	116.9
1652	K	29.5	Very low	33.5	Very low	162 Å²	162	128.5 Å²	128.5	70%	0.704	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-8.4	-168.2	-74	168.3	-177.1	152.8	0	117.2	D1650 K1654	D1650-K1652 PolarHBondContact O-N 2.67Å; D1650-K1652 VanDerWaalsContact O-N 3.11Å; K1652-K1654 PolarHBondContact O-N 3.2Å
1653	Q	34.2	Very low	34.1	Very low	198 Å²	198	129.2 Å²	129.2	93%	0.925	66%	0.657	S	S	*	*			trans	-82.9	62.6	-173.7	-67.7	-176.9	-18.5	0	0	114.7
1654	K	28.2	Very low	34.8	Very low	202 Å²	202	126.5 Å²	126.5	88%	0.878	66%	0.656	S	S	*	*			trans	-141.2	88.5	172.8	-77.3	-174.5	176.7	177.8	0	112.7	K1652	K1652-K1654 PolarHBondContact O-N 3.2Å
1655	S	33.2	Very low	35.1	Very low	90 Å²	90	123.1 Å²	123.1	63%	0.629	64%	0.636	S	S	*	*	S	Bend	trans	-162.5	-56.1	166.1	51.7	0	0	0	0	115.5	R1657	S1655-R1657 PolarHBondContact O-N 2.99Å
1656	L	31.7	Very low	35.6	Very low	98 Å²	98	126.4 Å²	126.4	51%	0.513	64%	0.64	S	S	.	*			trans	-69.3	24.2	-164.2	-72.7	166.5	0	0	0	117.5	S1658 I1659 I1714	L1656-S1658 VanDerWaalsContact C-N 3.33Å; L1656-S1658 PolarHBondContact O-N 3.37Å; L1656-S1658 VanDerWaalsContact O-N 3.15Å; L1656-I1659 HydrophobicContact CD2-CD1 4.22Å; L1656-I1714 HydrophobicContact CD2-CD1 4.05Å
1657	R	33.2	Very low	36.1	Very low	218 Å²	218	123.5 Å²	123.5	82%	0.823	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	31.3	-162.9	-145.8	-174.6	-159.1	-171.6	6.3	115.3	S1655	S1655-R1657 PolarHBondContact O-N 2.99Å
1658	S	38.6	Very low	36.5	Very low	68 Å²	68	119.8 Å²	119.8	48%	0.476	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-139.8	-2	-175.1	67.5	0	0	0	0	115.8	L1656 S1660 Q1716	L1656-S1658 VanDerWaalsContact C-N 3.33Å; L1656-S1658 PolarHBondContact O-N 3.37Å; L1656-S1658 VanDerWaalsContact O-N 3.15Å; S1658-S1660 VanDerWaalsContact C-N 3.3Å; S1658-S1660 PolarHBondContact O-N 2.91Å; S1658-Q1716 PolarHBondContact O-OE1 2.83Å; S1658-Q1716 PolarHBondContact OG-OE1 3.43Å
1659	I	44.5	Very low	37.1	Very low	18 Å²	18	116 Å²	116	9%	0.092	61%	0.613	C	S	.	*			trans	-78.9	82.1	-179.4	-54.1	175.6	0	0	0	108.9	L1635 L1656 F1697 I1714	L1635-I1659 CarbonylContact C-O 3.52Å; L1635-I1659 HydrophobicContact CB-CG2 4.2Å; L1635-I1659 HydrophobicContact CD2-CG2 3.48Å; L1635-I1659 VanDerWaalsContact CD2-CG2 3.48Å; L1635-I1659 HydrophobicContact CG-CG2 4.42Å; L1656-I1659 HydrophobicContact CD2-CD1 4.22Å; I1659-F1697 HydrophobicContact CG1-CE1 4.36Å; I1659-F1697 HydrophobicContact CG2-CE1 3.82Å; I1659-F1697 HydrophobicContact CG2-CZ 4.07Å; I1659-I1714 HydrophobicContact CD1-CG2 4.45Å
1660	S	39.8	Very low	38	Very low	67 Å²	67	113.1 Å²	113.1	47%	0.469	60%	0.595	S	S	.	*			trans	-129.4	129.6	178.3	60.5	0	0	0	0	112.6	S1658	S1658-S1660 VanDerWaalsContact C-N 3.3Å; S1658-S1660 PolarHBondContact O-N 2.91Å
1661	L	43.8	Very low	39.2	Very low	21 Å²	21	107 Å²	107	11%	0.11	56%	0.562	C	S	.	*			trans	-85	151.9	173.2	-67.6	154.8	0	0	0	110	Y1614 L1635 N1663 L1671 Y1688 I1695	Y1614-L1661 HydrophobicContact CD1-CD1 3.69Å; Y1614-L1661 HydrophobicContact CE1-CD1 4.23Å; L1635-L1661 HydrophobicContact CB-CD1 4.09Å; L1635-L1661 HydrophobicContact CD1-CD1 4.33Å; L1661-N1663 PolarHBondContact O-N 3.34Å; L1661-L1671 HydrophobicContact CD1-CD1 4.19Å; L1661-Y1688 HydrophobicContact CB-CE2 4.46Å; L1661-Y1688 WeakPolarHBondContact CB-OH 3.1Å; L1661-Y1688 HydrophobicContact CD2-CE2 3.87Å; L1661-I1695 HydrophobicContact CD2-CD1 4.38Å
1662	P	41.1	Very low	40.3	Very low	46 Å²	46	105.4 Å²	105.4	30%	0.299	55%	0.547	S	S	.	.			trans	-67.2	128.2	-174	25.4	-34.2	0	0	0	113.4	T1664 Y1688	P1662-T1664 PolarHBondContact O-N 3.46Å; P1662-Y1688 HydrophobicContact CG-CE2 4.44Å
1663	N	43.7	Very low	41.9	Very low	163 Å²	163	99.2 Å²	99.2	87%	0.872	52%	0.521	S	S	*	.	S	Bend	trans	-61.8	-6.3	-167.8	-75.8	-24.7	0	0	0	117.7	L1661 M1665	L1661-N1663 PolarHBondContact O-N 3.34Å; N1663-M1665 PolarHBondContact O-N 2.99Å; N1663-M1665 VanDerWaalsContact O-N 3.08Å
1664	T	42.5	Very low	43.2	Very low	127 Å²	127	91.5 Å²	91.5	78%	0.779	49%	0.489	S	S	*	.			trans	-87.9	48.4	-175.9	50.6	0	0	0	0	113	P1662	P1662-T1664 PolarHBondContact O-N 3.46Å
1665	M	34.9	Very low	45.1	Very low	65 Å²	65	82.6 Å²	82.6	32%	0.32	45%	0.452	S	S	.	.			trans	-76.1	120.1	-176.6	-71.5	-77.1	98.1	0	0	112.8	Y1614 N1663 Y1688	Y1614-M1665 PolarHBondContact OH-SD 3.39Å; N1663-M1665 PolarHBondContact O-N 2.99Å; N1663-M1665 VanDerWaalsContact O-N 3.08Å; M1665-Y1688 HydrophobicContact CE-CD1 3.96Å; M1665-Y1688 HydrophobicContact CE-CD2 4.03Å; M1665-Y1688 HydrophobicContact CE-CE1 3.53Å; M1665-Y1688 HydrophobicContact CE-CE2 3.62Å; M1665-Y1688 HydrophobicContact CE-CG 4.17Å; M1665-Y1688 HydrophobicContact SD-CD1 4.41Å; M1665-Y1688 HydrophobicContact SD-CE1 3.54Å; M1665-Y1688 VanDerWaalsContact SD-CE1 3.54Å; M1665-Y1688 HydrophobicContact SD-CE2 4.37Å; M1665-Y1688 VanDerWaalsContact SD-CZ 3.51Å; M1665-Y1688 PolarHBondContact SD-OH 3.37Å
1666	K	42.5	Very low	46.7	Very low	174 Å²	174	79 Å²	79	76%	0.757	43%	0.425	S	S	*	.			trans	-95.1	137.1	155.7	-76.8	-175.9	176.4	178.6	0	108.1	N1668 T1669	K1666-N1668 PolarHBondContact O-N 2.89Å; K1666-T1669 PolarHBondContact O-OG1 3.37Å
1667	S	44.2	Very low	48.4	Very low	121 Å²	121	75.9 Å²	75.9	85%	0.846	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	1.5	-172.1	48.9	0	0	0	0	117.4
1668	N	42.6	Very low	49.8	Very low	141 Å²	141	68.3 Å²	68.3	75%	0.754	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	23.8	-167.5	-58.8	40.3	0	0	0	111.9	K1666	K1666-N1668 PolarHBondContact O-N 2.89Å
1669	T	42.1	Very low	51.2	Low	58 Å²	58	70.2 Å²	70.2	36%	0.356	39%	0.385	S	S	.	.			trans	-110	107.7	178.1	48.7	0	0	0	0	110.9	K1666	K1666-T1669 PolarHBondContact O-OG1 3.37Å
1670	E	47.3	Very low	52.2	Low	88 Å²	88	71.8 Å²	71.8	41%	0.411	39%	0.393	S	S	.	.			trans	-57.1	135.6	174.9	-65.6	155.2	-119.6	0	0	110.9	K1689	E1670-K1689 HydrophobicContact CB-CB 4.01Å; E1670-K1689 HydrophobicContact CB-CD 3.92Å; E1670-K1689 HydrophobicContact CG-CD 4.18Å; E1670-K1689 WeakPolarHBondContact O-CB 3.28Å; E1670-K1689 PolarHBondContact O-N 2.88Å; E1670-K1689 WeakPolarHBondContact OE1-CD 3.44Å; E1670-K1689 IonicContact OE1-NZ 2.84Å; E1670-K1689 PolarHBondContact OE1-NZ 3.47Å; E1670-K1689 WeakPolarHBondContact OE2-CD 3.19Å; E1670-K1689 WeakPolarHBondContact OE2-CE 3.39Å; E1670-K1689 IonicContact OE2-NZ 3.51Å; E1670-K1689 PolarHBondContact OE2-NZ 3.36Å
1671	L	55.5	Low	53.7	Low	6 Å²	6	71 Å²	71	3%	0.031	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	101.6	179.2	-159.3	169.8	0	0	0	108	L1609 Q1611 Y1614 L1661 I1673 T1686 G1687 Y1688	L1609-L1671 HydrophobicContact CD2-CD1 4.33Å; L1609-L1671 HydrophobicContact CD2-CD2 4.33Å; Q1611-L1671 HydrophobicContact CG-CB 4.41Å; Q1611-L1671 PolarHBondContact NE2-O 3.18Å; Y1614-L1671 HydrophobicContact CD1-CD1 4.15Å; Y1614-L1671 HydrophobicContact CE1-CD1 4.1Å; L1661-L1671 HydrophobicContact CD1-CD1 4.19Å; L1671-I1673 HydrophobicContact CD2-CG1 4.15Å; L1671-T1686 HydrophobicContact CD2-CG2 3.96Å; L1671-G1687 CarbonylContact C-O 3.58Å; L1671-Y1688 HydrophobicContact CB-CD1 4.22Å; L1671-Y1688 HydrophobicContact CB-CE1 4.04Å; L1671-Y1688 HydrophobicContact CD1-CE1 3.73Å; L1671-Y1688 HydrophobicContact CG-CD1 4.11Å; L1671-Y1688 HydrophobicContact CG-CE1 3.73Å
1672	L	53.1	Low	55.1	Low	83 Å²	83	70.1 Å²	70.1	44%	0.435	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	132.4	176.7	-71.8	164.1	0	0	0	109.9	T1686 G1687	L1672-T1686 WeakPolarHBondContact O-CA 3.43Å; L1672-G1687 WeakPolarHBondContact CB-O 3.45Å; L1672-G1687 PolarHBondContact N-O 3.05Å; L1672-G1687 PolarHBondContact O-N 3.19Å
1673	I	63.4	Low	56.6	Low	32 Å²	32	69 Å²	69	16%	0.164	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.2	166	-77	177.4	0	0	0	109.3	N1584 L1609 L1671 I1684 I1685 T1686	N1584-I1673 HydrophobicContact CB-CG2 3.99Å; L1609-I1673 HydrophobicContact CB-CD1 3.56Å; L1609-I1673 HydrophobicContact CD1-CD1 3.92Å; L1609-I1673 HydrophobicContact CD2-CD1 3.7Å; L1609-I1673 HydrophobicContact CG-CD1 3.89Å; L1671-I1673 HydrophobicContact CD2-CG1 4.15Å; I1673-I1684 HydrophobicContact CG2-CG2 4.17Å; I1673-I1685 VanDerWaalsContact CA-O 3.28Å; I1673-I1685 WeakPolarHBondContact CA-O 3.23Å; I1673-T1686 HydrophobicContact CD1-CG2 4.17Å; I1673-T1686 HydrophobicContact CG1-CG2 3.78Å
1674	S	60.8	Low	57.9	Low	36 Å²	36	61.3 Å²	61.3	25%	0.252	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	157.6	153.9	69.2	0	0	0	0	109	I1684 I1685 G1730	S1674-I1684 CarbonylContact O-C 3.6Å; S1674-I1684 WeakPolarHBondContact O-CA 3.43Å; S1674-I1685 PolarHBondContact N-O 3.01Å; S1674-I1685 PolarHBondContact O-N 3.47Å; S1674-G1730 PolarHBondContact OG-O 2.89Å
1675	S	67.7	Low	59.1	Low	15 Å²	15	55.8 Å²	55.8	11%	0.105	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	147.9	177.5	54.1	0	0	0	0	110.7	N1584 V1586 I1607 Y1683	N1584-S1675 PolarHBondContact ND2-N 3.01Å; N1584-S1675 VanDerWaalsContact ND2-N 3.11Å; N1584-S1675 PolarHBondContact ND2-OG 3.46Å; V1586-S1675 WeakPolarHBondContact CG2-OG 3.18Å; I1607-S1675 WeakPolarHBondContact CD1-OG 3.19Å; S1675-Y1683 CarbonylContact C-O 3.58Å; S1675-Y1683 WeakPolarHBondContact CA-O 3.41Å; S1675-Y1683 WeakPolarHBondContact CB-O 3.45Å
1676	Y	67.2	Low	60.5	Low	15 Å²	15	52.9 Å²	52.9	6%	0.059	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	150.6	-177.4	61.5	-89	0	0	0	110.3	Y1683 I1685 Y1732	Y1676-Y1683 AromaticContact CD2-CD2 3.96Å; Y1676-Y1683 HydrophobicContact CD2-CD2 3.96Å; Y1676-Y1683 HydrophobicContact CD2-CG 4.3Å; Y1676-Y1683 HydrophobicContact CE1-CG 4.14Å; Y1676-Y1683 HydrophobicContact CE2-CD1 4.41Å; Y1676-Y1683 AromaticContact CE2-CD2 3.32Å; Y1676-Y1683 HydrophobicContact CE2-CD2 3.32Å; Y1676-Y1683 HydrophobicContact CE2-CE2 4.05Å; Y1676-Y1683 AromaticContact CE2-CG 3.54Å; Y1676-Y1683 HydrophobicContact CE2-CG 3.54Å; Y1676-Y1683 AromaticContact CZ-CD2 3.76Å; Y1676-Y1683 AromaticContact CZ-CG 3.44Å; Y1676-Y1683 VanDerWaalsContact CZ-CG 3.44Å; Y1676-Y1683 PolarHBondContact N-O 3.02Å; Y1676-Y1683 PolarHBondContact O-N 3.15Å; Y1676-Y1683 WeakPolarHBondContact OH-CD1 3.3Å; Y1676-I1685 HydrophobicContact CE1-CD1 4.42Å; Y1676-Y1732 HydrophobicContact CD1-CD2 4.37Å; Y1676-Y1732 HydrophobicContact CD1-CG 4.17Å; Y1676-Y1732 HydrophobicContact CD2-CD1 4.42Å; Y1676-Y1732 AromaticContact CD2-CD2 3.65Å; Y1676-Y1732 HydrophobicContact CD2-CD2 3.65Å; Y1676-Y1732 HydrophobicContact CD2-CE2 4.01Å; Y1676-Y1732 AromaticContact CD2-CG 3.88Å; Y1676-Y1732 HydrophobicContact CD2-CG 3.88Å; Y1676-Y1732 HydrophobicContact CE1-CD2 4.42Å; Y1676-Y1732 AromaticContact CE2-CD2 3.72Å; Y1676-Y1732 HydrophobicContact CE2-CD2 3.72Å; Y1676-Y1732 HydrophobicContact CE2-CE2 4.07Å; Y1676-Y1732 HydrophobicContact CE2-CG 4.35Å; Y1676-Y1732 HydrophobicContact CG-CD1 4.33Å; Y1676-Y1732 HydrophobicContact CG-CD2 4.01Å; Y1676-Y1732 AromaticContact CG-CG 3.79Å; Y1676-Y1732 HydrophobicContact CG-CG 3.79Å
1677	I	67.8	Low	61.4	Low	31 Å²	31	45.2 Å²	45.2	16%	0.159	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.2	172	-73.7	165.4	0	0	0	108.1	V1586 M1588 Y1605 K1681 L1682 I1701	V1586-I1677 HydrophobicContact CB-CD1 4.34Å; V1586-I1677 HydrophobicContact CB-CG1 4.43Å; V1586-I1677 HydrophobicContact CG1-CB 4.03Å; V1586-I1677 HydrophobicContact CG1-CD1 3.87Å; V1586-I1677 HydrophobicContact CG1-CG1 3.63Å; V1586-I1677 VanDerWaalsContact CG1-N 3.31Å; M1588-I1677 HydrophobicContact CE-CG2 3.97Å; M1588-I1677 HydrophobicContact CG-CD1 4.1Å; M1588-I1677 HydrophobicContact SD-CG2 4.02Å; Y1605-I1677 HydrophobicContact CD2-CD1 3.5Å; Y1605-I1677 VanDerWaalsContact CD2-CD1 3.5Å; Y1605-I1677 HydrophobicContact CE2-CD1 3.81Å; Y1605-I1677 HydrophobicContact CG-CD1 4.34Å; I1677-K1681 WeakPolarHBondContact CA-O 3.34Å; I1677-L1682 HydrophobicContact CD1-CD1 4.22Å; I1677-L1682 HydrophobicContact CG1-CB 4.32Å; I1677-L1682 HydrophobicContact CG1-CD1 3.66Å; I1677-I1701 HydrophobicContact CD1-CD1 3.52Å; I1677-I1701 HydrophobicContact CG1-CD1 3.74Å; I1677-I1701 HydrophobicContact CG2-CD1 4.37Å
1678	Y	63.5	Low	62.1	Low	59 Å²	59	40.3 Å²	40.3	23%	0.231	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	131.8	173.1	179.9	-87.9	0	0	0	109.3	N1680 K1681 Y1683 Y1732 Q1737	Y1678-N1680 VanDerWaalsContact C-N 3.34Å; Y1678-N1680 PolarHBondContact O-N 2.75Å; Y1678-K1681 PolarHBondContact N-O 2.92Å; Y1678-K1681 WeakPolarHBondContact O-CB 3.39Å; Y1678-K1681 PolarHBondContact O-N 2.95Å; Y1678-Y1683 HydrophobicContact CD1-CE2 4.46Å; Y1678-Y1732 HydrophobicContact CD2-CE2 4.26Å; Y1678-Y1732 WeakPolarHBondContact CD2-OH 3.42Å; Y1678-Q1737 HydrophobicContact CE2-CB 3.83Å; Y1678-Q1737 HydrophobicContact CE2-CG 4Å; Y1678-Q1737 PolarHBondContact OH-OE1 3.01Å
1679	D	67	Low	62.3	Low	108 Å²	108	36.8 Å²	36.8	58%	0.578	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	49.1	174.7	-179.8	45.1	0	0	0	112.7	K1681	D1679-K1681 WeakPolarHBondContact O-CG 3.4Å; D1679-K1681 PolarHBondContact O-N 3.28Å; D1679-K1681 PolarHBondContact O-NZ 3.17Å; D1679-K1681 IonicContact OD2-NZ 2.87Å; D1679-K1681 PolarHBondContact OD2-NZ 3.37Å
1680	N	66.3	Low	62.7	Low	52 Å²	52	35.9 Å²	35.9	28%	0.278	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	30.1	-172.7	-75.7	-19.7	0	0	0	114.8	Y1678 I1701 F1703	Y1678-N1680 VanDerWaalsContact C-N 3.34Å; Y1678-N1680 PolarHBondContact O-N 2.75Å; N1680-I1701 PolarHBondContact O-N 3.35Å; N1680-F1703 WeakPolarHBondContact ND2-CE2 3.36Å; N1680-F1703 WeakPolarHBondContact ND2-CZ 3.5Å
1681	K	70.7	Confident	63	Low	50 Å²	50	34.1 Å²	34.1	22%	0.217	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.5	177.1	-60.8	170.4	-165.1	73.3	0	111.2	I1677 Y1678 D1679 Y1683 I1699 N1700	I1677-K1681 WeakPolarHBondContact CA-O 3.34Å; Y1678-K1681 PolarHBondContact N-O 2.92Å; Y1678-K1681 WeakPolarHBondContact O-CB 3.39Å; Y1678-K1681 PolarHBondContact O-N 2.95Å; D1679-K1681 WeakPolarHBondContact O-CG 3.4Å; D1679-K1681 PolarHBondContact O-N 3.28Å; D1679-K1681 PolarHBondContact O-NZ 3.17Å; D1679-K1681 IonicContact OD2-NZ 2.87Å; D1679-K1681 PolarHBondContact OD2-NZ 3.37Å; K1681-Y1683 HydrophobicContact CB-CD2 4.2Å; K1681-Y1683 HydrophobicContact CB-CE2 3.74Å; K1681-Y1683 WeakPolarHBondContact O-CD2 3.48Å; K1681-Y1683 PolarHBondContact O-N 2.93Å; K1681-I1699 CarbonylContact C-O 3.48Å; K1681-I1699 VanDerWaalsContact CA-O 3.28Å; K1681-I1699 WeakPolarHBondContact CA-O 3.45Å; K1681-N1700 WeakPolarHBondContact CG-OD1 3.31Å
1682	L	72.3	Confident	62.8	Low	3 Å²	3	34.9 Å²	34.9	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	102.3	169.2	-175.5	67.8	0	0	0	108.7	V1586 I1607 I1618 I1677 I1684 H1698 I1699 I1701	V1586-L1682 HydrophobicContact CB-CD1 3.94Å; V1586-L1682 HydrophobicContact CG1-CD1 4.12Å; V1586-L1682 HydrophobicContact CG2-CD1 3.78Å; I1607-L1682 HydrophobicContact CD1-CD1 4.17Å; I1607-L1682 HydrophobicContact CD1-CD2 3.9Å; I1607-L1682 HydrophobicContact CD1-CG 4.21Å; I1607-L1682 HydrophobicContact CG1-CD2 4.37Å; I1618-L1682 HydrophobicContact CD1-CD2 3.88Å; I1677-L1682 HydrophobicContact CD1-CD1 4.22Å; I1677-L1682 HydrophobicContact CG1-CB 4.32Å; I1677-L1682 HydrophobicContact CG1-CD1 3.66Å; L1682-I1684 HydrophobicContact CG-CG1 4.39Å; L1682-H1698 CarbonylContact O-C 3.32Å; L1682-H1698 WeakPolarHBondContact O-CA 3.45Å; L1682-I1699 HydrophobicContact CB-CB 4.38Å; L1682-I1699 PolarHBondContact N-O 3.36Å; L1682-I1699 PolarHBondContact O-N 3.33Å; L1682-I1701 HydrophobicContact CB-CD1 4.19Å; L1682-I1701 HydrophobicContact CB-CG1 4.41Å
1683	Y	73	Confident	63	Low	21 Å²	21	35.7 Å²	35.7	8%	0.082	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	143.3	170.5	-69.9	-94.1	0	0	0	109.8	S1675 Y1676 Y1678 K1681 M1696 F1697 H1698	S1675-Y1683 CarbonylContact C-O 3.58Å; S1675-Y1683 WeakPolarHBondContact CA-O 3.41Å; S1675-Y1683 WeakPolarHBondContact CB-O 3.45Å; Y1676-Y1683 AromaticContact CD2-CD2 3.96Å; Y1676-Y1683 HydrophobicContact CD2-CD2 3.96Å; Y1676-Y1683 HydrophobicContact CD2-CG 4.3Å; Y1676-Y1683 HydrophobicContact CE1-CG 4.14Å; Y1676-Y1683 HydrophobicContact CE2-CD1 4.41Å; Y1676-Y1683 AromaticContact CE2-CD2 3.32Å; Y1676-Y1683 HydrophobicContact CE2-CD2 3.32Å; Y1676-Y1683 HydrophobicContact CE2-CE2 4.05Å; Y1676-Y1683 AromaticContact CE2-CG 3.54Å; Y1676-Y1683 HydrophobicContact CE2-CG 3.54Å; Y1676-Y1683 AromaticContact CZ-CD2 3.76Å; Y1676-Y1683 AromaticContact CZ-CG 3.44Å; Y1676-Y1683 VanDerWaalsContact CZ-CG 3.44Å; Y1676-Y1683 PolarHBondContact N-O 3.02Å; Y1676-Y1683 PolarHBondContact O-N 3.15Å; Y1676-Y1683 WeakPolarHBondContact OH-CD1 3.3Å; Y1678-Y1683 HydrophobicContact CD1-CE2 4.46Å; K1681-Y1683 HydrophobicContact CB-CD2 4.2Å; K1681-Y1683 HydrophobicContact CB-CE2 3.74Å; K1681-Y1683 WeakPolarHBondContact O-CD2 3.48Å; K1681-Y1683 PolarHBondContact O-N 2.93Å; Y1683-M1696 HydrophobicContact CD1-CE 4.34Å; Y1683-M1696 HydrophobicContact CD1-CG 4.32Å; Y1683-M1696 HydrophobicContact CD1-SD 3.85Å; Y1683-M1696 HydrophobicContact CE1-CE 4.42Å; Y1683-M1696 HydrophobicContact CE1-SD 4.47Å; Y1683-F1697 CarbonylContact C-O 3.59Å; Y1683-F1697 WeakPolarHBondContact CA-O 3.46Å; Y1683-H1698 HydrophobicContact CD1-CB 3.61Å; Y1683-H1698 AromaticContact CD1-CG 4Å; Y1683-H1698 AromaticContact CD1-ND1 3.85Å; Y1683-H1698 HydrophobicContact CE1-CB 3.65Å; Y1683-H1698 AromaticContact CE1-CG 3.71Å; Y1683-H1698 AromaticContact CE1-ND1 3.65Å; Y1683-H1698 HydrophobicContact CG-CB 4.14Å
1684	I	70.8	Confident	62.8	Low	2 Å²	2	34.3 Å²	34.3	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	118.4	177	-49.1	173.3	0	0	0	108.1	I1607 L1616 I1673 S1674 L1682 M1696 F1697 I1699	I1607-I1684 HydrophobicContact CD1-CD1 3.77Å; I1607-I1684 HydrophobicContact CD1-CG1 3.83Å; L1616-I1684 HydrophobicContact CD2-CD1 4.24Å; I1673-I1684 HydrophobicContact CG2-CG2 4.17Å; S1674-I1684 CarbonylContact O-C 3.6Å; S1674-I1684 WeakPolarHBondContact O-CA 3.43Å; L1682-I1684 HydrophobicContact CG-CG1 4.39Å; I1684-M1696 CarbonylContact O-C 3.33Å; I1684-M1696 WeakPolarHBondContact O-CA 3.32Å; I1684-F1697 HydrophobicContact CB-CB 4.31Å; I1684-F1697 HydrophobicContact CB-CD2 4.25Å; I1684-F1697 HydrophobicContact CG2-CD2 4.46Å; I1684-F1697 PolarHBondContact N-O 2.82Å; I1684-F1697 WeakPolarHBondContact O-CD2 3.38Å; I1684-F1697 PolarHBondContact O-N 3.13Å; I1684-I1699 HydrophobicContact CD1-CD1 3.91Å
1685	I	67.8	Low	63.1	Low	11 Å²	11	33 Å²	33	6%	0.056	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130.8	175.8	-53.2	178.5	0	0	0	108.6	I1673 S1674 Y1676 M1696 I1739	I1673-I1685 VanDerWaalsContact CA-O 3.28Å; I1673-I1685 WeakPolarHBondContact CA-O 3.23Å; S1674-I1685 PolarHBondContact N-O 3.01Å; S1674-I1685 PolarHBondContact O-N 3.47Å; Y1676-I1685 HydrophobicContact CE1-CD1 4.42Å; I1685-M1696 HydrophobicContact CG1-CB 4.19Å; I1685-M1696 HydrophobicContact CG1-CG 3.98Å; I1685-M1696 HydrophobicContact CG1-SD 4.32Å; I1685-I1739 HydrophobicContact CD1-CD1 4.24Å; I1685-I1739 HydrophobicContact CD1-CG2 4.14Å
1686	T	64.2	Low	63.1	Low	5 Å²	5	33.5 Å²	33.5	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.2	173.5	48.1	0	0	0	0	111.1	L1671 L1672 I1673 A1694 I1695 F1697	L1671-T1686 HydrophobicContact CD2-CG2 3.96Å; L1672-T1686 WeakPolarHBondContact O-CA 3.43Å; I1673-T1686 HydrophobicContact CD1-CG2 4.17Å; I1673-T1686 HydrophobicContact CG1-CG2 3.78Å; T1686-A1694 CarbonylContact O-C 3.57Å; T1686-A1694 WeakPolarHBondContact O-CA 3.46Å; T1686-A1694 VanDerWaalsContact O-CB 3.26Å; T1686-A1694 WeakPolarHBondContact O-CB 3.5Å; T1686-I1695 PolarHBondContact N-O 3.32Å; T1686-I1695 PolarHBondContact O-N 2.89Å; T1686-I1695 PolarHBondContact OG1-O 2.73Å; T1686-F1697 HydrophobicContact CG2-CE2 3.83Å; T1686-F1697 WeakPolarHBondContact OG1-CE2 3.44Å
1687	G	61.4	Low	63.4	Low	13 Å²	13	33.7 Å²	33.7	13%	0.134	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	155.2	174	0	0	0	0	0	112.8	L1671 L1672	L1671-G1687 CarbonylContact C-O 3.58Å; L1672-G1687 WeakPolarHBondContact CB-O 3.45Å; L1672-G1687 PolarHBondContact N-O 3.05Å; L1672-G1687 PolarHBondContact O-N 3.19Å
1688	Y	60.1	Low	63.5	Low	18 Å²	18	33.4 Å²	33.4	7%	0.071	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.8	-180	-69.6	-78.9	0	0	0	112.1	L1661 P1662 M1665 L1671 G1690 D1691	L1661-Y1688 HydrophobicContact CB-CE2 4.46Å; L1661-Y1688 WeakPolarHBondContact CB-OH 3.1Å; L1661-Y1688 HydrophobicContact CD2-CE2 3.87Å; P1662-Y1688 HydrophobicContact CG-CE2 4.44Å; M1665-Y1688 HydrophobicContact CE-CD1 3.96Å; M1665-Y1688 HydrophobicContact CE-CD2 4.03Å; M1665-Y1688 HydrophobicContact CE-CE1 3.53Å; M1665-Y1688 HydrophobicContact CE-CE2 3.62Å; M1665-Y1688 HydrophobicContact CE-CG 4.17Å; M1665-Y1688 HydrophobicContact SD-CD1 4.41Å; M1665-Y1688 HydrophobicContact SD-CE1 3.54Å; M1665-Y1688 VanDerWaalsContact SD-CE1 3.54Å; M1665-Y1688 HydrophobicContact SD-CE2 4.37Å; M1665-Y1688 VanDerWaalsContact SD-CZ 3.51Å; M1665-Y1688 PolarHBondContact SD-OH 3.37Å; L1671-Y1688 HydrophobicContact CB-CD1 4.22Å; L1671-Y1688 HydrophobicContact CB-CE1 4.04Å; L1671-Y1688 HydrophobicContact CD1-CE1 3.73Å; L1671-Y1688 HydrophobicContact CG-CD1 4.11Å; L1671-Y1688 HydrophobicContact CG-CE1 3.73Å; Y1688-G1690 PolarHBondContact O-N 2.85Å; Y1688-D1691 PolarHBondContact O-N 3.29Å
1689	K	47.1	Very low	63.9	Low	66 Å²	66	31 Å²	31	29%	0.287	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	93.7	177.9	-171.5	175.7	-178.6	-180	0	111.2	E1670 D1843	E1670-K1689 HydrophobicContact CB-CB 4.01Å; E1670-K1689 HydrophobicContact CB-CD 3.92Å; E1670-K1689 HydrophobicContact CG-CD 4.18Å; E1670-K1689 WeakPolarHBondContact O-CB 3.28Å; E1670-K1689 PolarHBondContact O-N 2.88Å; E1670-K1689 WeakPolarHBondContact OE1-CD 3.44Å; E1670-K1689 IonicContact OE1-NZ 2.84Å; E1670-K1689 PolarHBondContact OE1-NZ 3.47Å; E1670-K1689 WeakPolarHBondContact OE2-CD 3.19Å; E1670-K1689 WeakPolarHBondContact OE2-CE 3.39Å; E1670-K1689 IonicContact OE2-NZ 3.51Å; E1670-K1689 PolarHBondContact OE2-NZ 3.36Å; K1689-D1843 IonicContact NZ-OD2 3.35Å
1690	G	49.6	Very low	63.9	Low	40 Å²	40	29 Å²	29	41%	0.412	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	110.7	-4.1	178.3	0	0	0	0	0	115.7	Y1688 G1725	Y1688-G1690 PolarHBondContact O-N 2.85Å; G1690-G1725 PolarHBondContact O-N 2.88Å
1691	D	53.7	Low	63.9	Low	51 Å²	51	27.1 Å²	27.1	27%	0.273	14%	0.144	S	C	.	.			trans	-90.5	152.6	172.5	-160.9	1.6	0	0	0	111.7	Y1688 K1693	Y1688-D1691 PolarHBondContact O-N 3.29Å; D1691-K1693 PolarHBondContact O-N 2.79Å
1692	S	51.7	Low	63.4	Low	22 Å²	22	28.9 Å²	28.9	15%	0.154	16%	0.156	C	C	.	.	S	Bend	trans	-75.9	5.3	-178.2	56.4	0	0	0	0	115.1	C1721	S1692-C1721 PolarHBondContact O-N 2.91Å
1693	K	57.6	Low	62.4	Low	99 Å²	99	36.5 Å²	36.5	43%	0.43	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.4	-170.6	-64.7	-178.9	-174.8	-179.7	0	112.4	D1691 L1719 L1720	D1691-K1693 PolarHBondContact O-N 2.79Å; K1693-L1719 WeakPolarHBondContact CA-O 3.41Å; K1693-L1720 HydrophobicContact CD-CD2 4.34Å; K1693-L1720 HydrophobicContact CG-CD2 3.84Å
1694	A	58.5	Low	61.4	Low	3 Å²	3	41.6 Å²	41.6	3%	0.025	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	160.7	167.1	0	0	0	0	0	110.6	T1686 L1719 I1728	T1686-A1694 CarbonylContact O-C 3.57Å; T1686-A1694 WeakPolarHBondContact O-CA 3.46Å; T1686-A1694 VanDerWaalsContact O-CB 3.26Å; T1686-A1694 WeakPolarHBondContact O-CB 3.5Å; A1694-L1719 HydrophobicContact CB-CB 4.19Å; A1694-L1719 HydrophobicContact CB-CD1 4.34Å; A1694-L1719 PolarHBondContact N-O 2.73Å; A1694-L1719 PolarHBondContact O-N 2.82Å; A1694-I1728 HydrophobicContact CB-CD1 4.39Å; A1694-I1728 HydrophobicContact CB-CG2 4.29Å
1695	I	66.2	Low	60.5	Low	9 Å²	9	43.3 Å²	43.3	5%	0.046	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	120.9	-177.9	-50.6	178.3	0	0	0	108.5	L1661 T1686 F1697 Q1716 T1717 Y1718	L1661-I1695 HydrophobicContact CD2-CD1 4.38Å; T1686-I1695 PolarHBondContact N-O 3.32Å; T1686-I1695 PolarHBondContact O-N 2.89Å; T1686-I1695 PolarHBondContact OG1-O 2.73Å; I1695-F1697 HydrophobicContact CG2-CZ 4.41Å; I1695-Q1716 HydrophobicContact CG2-CB 4.34Å; I1695-Q1716 HydrophobicContact CG2-CG 4.25Å; I1695-T1717 CarbonylContact C-O 3.58Å; I1695-T1717 WeakPolarHBondContact CA-O 3.48Å; I1695-Y1718 HydrophobicContact CD1-CD1 4.27Å; I1695-Y1718 HydrophobicContact CD1-CE1 3.64Å; I1695-Y1718 HydrophobicContact CG1-CD1 3.79Å; I1695-Y1718 HydrophobicContact CG1-CE1 3.69Å
1696	M	68.8	Low	59.8	Low	26 Å²	26	47.4 Å²	47.4	13%	0.128	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.4	171.7	179.8	175.3	72.8	0	0	110.3	Y1683 I1684 I1685 Q1716 T1717 I1739	Y1683-M1696 HydrophobicContact CD1-CE 4.34Å; Y1683-M1696 HydrophobicContact CD1-CG 4.32Å; Y1683-M1696 HydrophobicContact CD1-SD 3.85Å; Y1683-M1696 HydrophobicContact CE1-CE 4.42Å; Y1683-M1696 HydrophobicContact CE1-SD 4.47Å; I1684-M1696 CarbonylContact O-C 3.33Å; I1684-M1696 WeakPolarHBondContact O-CA 3.32Å; I1685-M1696 HydrophobicContact CG1-CB 4.19Å; I1685-M1696 HydrophobicContact CG1-CG 3.98Å; I1685-M1696 HydrophobicContact CG1-SD 4.32Å; M1696-Q1716 CarbonylContact O-C 3.58Å; M1696-Q1716 WeakPolarHBondContact O-CA 3.42Å; M1696-T1717 WeakPolarHBondContact CE-OG1 3.45Å; M1696-T1717 PolarHBondContact N-O 3.4Å; M1696-T1717 PolarHBondContact O-N 2.97Å; M1696-T1717 PolarHBondContact O-OG1 3.16Å; M1696-I1739 HydrophobicContact CE-CD1 4.45Å; M1696-I1739 HydrophobicContact SD-CD1 3.61Å
1697	F	72.4	Confident	59.2	Low	19 Å²	19	53.6 Å²	53.6	8%	0.083	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	158.4	165.6	-49.2	-91.7	0	0	0	110.5	I1659 Y1683 I1684 T1686 I1695 I1714 Q1715 Q1716	I1659-F1697 HydrophobicContact CG1-CE1 4.36Å; I1659-F1697 HydrophobicContact CG2-CE1 3.82Å; I1659-F1697 HydrophobicContact CG2-CZ 4.07Å; Y1683-F1697 CarbonylContact C-O 3.59Å; Y1683-F1697 WeakPolarHBondContact CA-O 3.46Å; I1684-F1697 HydrophobicContact CB-CB 4.31Å; I1684-F1697 HydrophobicContact CB-CD2 4.25Å; I1684-F1697 HydrophobicContact CG2-CD2 4.46Å; I1684-F1697 PolarHBondContact N-O 2.82Å; I1684-F1697 WeakPolarHBondContact O-CD2 3.38Å; I1684-F1697 PolarHBondContact O-N 3.13Å; T1686-F1697 HydrophobicContact CG2-CE2 3.83Å; T1686-F1697 WeakPolarHBondContact OG1-CE2 3.44Å; I1695-F1697 HydrophobicContact CG2-CZ 4.41Å; F1697-I1714 HydrophobicContact CD1-CG2 4.35Å; F1697-Q1715 VanDerWaalsContact CA-O 3.31Å; F1697-Q1715 WeakPolarHBondContact CA-O 3.46Å; F1697-Q1716 HydrophobicContact CD1-CG 3.6Å; F1697-Q1716 HydrophobicContact CE1-CG 3.75Å; F1697-Q1716 VanDerWaalsContact CE1-NE2 3.29Å
1698	H	70.6	Confident	58.6	Low	25 Å²	25	54.1 Å²	54.1	12%	0.116	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	151.2	160.7	25.5	-75.2	0	0	0	111	L1682 Y1683 I1714 Q1715	L1682-H1698 CarbonylContact O-C 3.32Å; L1682-H1698 WeakPolarHBondContact O-CA 3.45Å; Y1683-H1698 HydrophobicContact CD1-CB 3.61Å; Y1683-H1698 AromaticContact CD1-CG 4Å; Y1683-H1698 AromaticContact CD1-ND1 3.85Å; Y1683-H1698 HydrophobicContact CE1-CB 3.65Å; Y1683-H1698 AromaticContact CE1-CG 3.71Å; Y1683-H1698 AromaticContact CE1-ND1 3.65Å; Y1683-H1698 HydrophobicContact CG-CB 4.14Å; H1698-I1714 WeakPolarHBondContact O-CA 3.38Å; H1698-Q1715 PolarHBondContact N-O 2.87Å; H1698-Q1715 VanDerWaalsContact NE2-CB 3.34Å; H1698-Q1715 WeakPolarHBondContact NE2-CB 3.48Å; H1698-Q1715 PolarHBondContact NE2-OE1 3.29Å
1699	I	71.3	Confident	58.2	Low	9 Å²	9	56 Å²	56	5%	0.046	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	126.2	-177.6	-44.2	-177	0	0	0	108.9	I1618 K1681 L1682 I1684 L1708 I1714	I1618-I1699 HydrophobicContact CD1-CD1 4.09Å; K1681-I1699 CarbonylContact C-O 3.48Å; K1681-I1699 VanDerWaalsContact CA-O 3.28Å; K1681-I1699 WeakPolarHBondContact CA-O 3.45Å; L1682-I1699 HydrophobicContact CB-CB 4.38Å; L1682-I1699 PolarHBondContact N-O 3.36Å; L1682-I1699 PolarHBondContact O-N 3.33Å; I1684-I1699 HydrophobicContact CD1-CD1 3.91Å; I1699-L1708 HydrophobicContact CG2-CD2 3.78Å; I1699-I1714 HydrophobicContact CG1-CG1 4.31Å
1700	N	68.1	Low	58.2	Low	66 Å²	66	59.1 Å²	59.1	35%	0.353	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.9	178.9	-64.5	-10.3	0	0	0	110.8	K1681 L1708 S1713	K1681-N1700 WeakPolarHBondContact CG-OD1 3.31Å; N1700-L1708 WeakPolarHBondContact O-CD2 3.28Å; N1700-S1713 VanDerWaalsContact N-CB 3.26Å; N1700-S1713 PolarHBondContact N-OG 3.16Å
1701	I	65.5	Low	58.1	Low	11 Å²	11	64.2 Å²	64.2	6%	0.056	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-91	131.6	168	-61.2	171.2	0	0	0	108.2	M1588 Y1605 I1677 N1680 L1682	M1588-I1701 HydrophobicContact CE-CD1 4.37Å; M1588-I1701 HydrophobicContact CE-CG2 4.46Å; Y1605-I1701 HydrophobicContact CD2-CD1 4.45Å; Y1605-I1701 HydrophobicContact CE1-CD1 4.37Å; Y1605-I1701 HydrophobicContact CE2-CD1 3.95Å; Y1605-I1701 VanDerWaalsContact OH-CG2 3.24Å; Y1605-I1701 WeakPolarHBondContact OH-CG2 3.48Å; I1677-I1701 HydrophobicContact CD1-CD1 3.52Å; I1677-I1701 HydrophobicContact CG1-CD1 3.74Å; I1677-I1701 HydrophobicContact CG2-CD1 4.37Å; N1680-I1701 PolarHBondContact O-N 3.35Å; L1682-I1701 HydrophobicContact CB-CD1 4.19Å; L1682-I1701 HydrophobicContact CB-CG1 4.41Å
1702	L	59.8	Low	57.8	Low	88 Å²	88	69.8 Å²	69.8	46%	0.461	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-90.2	145.1	171.9	-81.6	160	0	0	0	111	N1704 H1705 D1709	L1702-N1704 PolarHBondContact O-N 3Å; L1702-H1705 PolarHBondContact O-N 3.33Å; L1702-D1709 HydrophobicContact CD1-CB 3.96Å
1703	F	51.4	Low	57.9	Low	163 Å²	163	69.4 Å²	69.4	72%	0.715	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-16.9	-178.3	-85.8	-81.2	0	0	0	116.2	N1680 H1705	N1680-F1703 WeakPolarHBondContact ND2-CE2 3.36Å; N1680-F1703 WeakPolarHBondContact ND2-CZ 3.5Å; F1703-H1705 VanDerWaalsContact C-N 3.33Å; F1703-H1705 PolarHBondContact O-CD2 2.76Å
1704	N	52	Low	57.7	Low	127 Å²	127	67.6 Å²	67.6	68%	0.679	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-1.5	177.7	-73	0.9	0	0	0	114	L1702 Y1706	L1702-N1704 PolarHBondContact O-N 3Å; N1704-Y1706 VanDerWaalsContact O-CD2 3.27Å; N1704-Y1706 WeakPolarHBondContact O-CD2 3.42Å; N1704-Y1706 PolarHBondContact O-N 3.43Å
1705	H	52.6	Low	57.7	Low	38 Å²	38	73.5 Å²	73.5	18%	0.176	35%	0.354	C	S	.	.	S	Bend	trans	57.7	-23.3	176.3	-63.8	-90.9	0	0	0	118.3	I1603 Y1605 L1702 F1703	I1603-H1705 WeakPolarHBondContact CD1-ND1 3.2Å; Y1605-H1705 PolarHBondContact OH-ND1 2.8Å; L1702-H1705 PolarHBondContact O-N 3.33Å; F1703-H1705 VanDerWaalsContact C-N 3.33Å; F1703-H1705 PolarHBondContact O-CD2 2.76Å
1706	Y	52.2	Low	57.6	Low	97 Å²	97	75.4 Å²	75.4	38%	0.38	36%	0.363	S	S	.	.	S	Bend	trans	-97	-2.9	-179.8	-57.6	-68.6	0	0	0	113.9	L1620 K1622 K1627 N1704	L1620-Y1706 HydrophobicContact CD2-CD1 3.79Å; L1620-Y1706 HydrophobicContact CD2-CE1 3.99Å; K1622-Y1706 HydrophobicContact CD-CE1 4.28Å; K1622-Y1706 PolarHBondContact NZ-OH 3.41Å; K1627-Y1706 HydrophobicContact CD-CD1 4.14Å; K1627-Y1706 HydrophobicContact CD-CE1 4.14Å; N1704-Y1706 VanDerWaalsContact O-CD2 3.27Å; N1704-Y1706 WeakPolarHBondContact O-CD2 3.42Å; N1704-Y1706 PolarHBondContact O-N 3.43Å
1707	H	52.2	Low	57.3	Low	135 Å²	135	77 Å²	77	63%	0.625	37%	0.374	S	S	*	.			trans	-130.3	122.9	179.9	-87.4	-63.5	0	0	0	111.9
1708	L	50	Low	56.7	Low	24 Å²	24	82.8 Å²	82.8	13%	0.126	40%	0.396	C	S	.	.			trans	-93.1	137.7	156.8	-74.4	148.1	0	0	0	107.5	L1629 I1630 I1699 N1700 D1710	L1629-L1708 HydrophobicContact CB-CD1 4.04Å; L1629-L1708 HydrophobicContact CD1-CD1 4.13Å; L1629-L1708 HydrophobicContact CD2-CD1 4.3Å; L1629-L1708 HydrophobicContact CG-CD1 4.41Å; I1630-L1708 HydrophobicContact CD1-CD1 3.77Å; I1630-L1708 HydrophobicContact CG1-CD1 3.84Å; I1699-L1708 HydrophobicContact CG2-CD2 3.78Å; N1700-L1708 WeakPolarHBondContact O-CD2 3.28Å; L1708-D1710 PolarHBondContact O-N 2.87Å
1709	D	51.7	Low	56.1	Low	58 Å²	58	83 Å²	83	31%	0.31	40%	0.398	S	S	.	.			trans	-92.3	98	173.5	-169.2	1.2	0	0	0	110	L1702 K1711 Q1712	L1702-D1709 HydrophobicContact CD1-CB 3.96Å; D1709-K1711 PolarHBondContact O-N 2.91Å; D1709-K1711 IonicContact OD1-NZ 3.62Å; D1709-K1711 PolarHBondContact OD1-NZ 2.99Å; D1709-K1711 IonicContact OD2-NZ 2.77Å; D1709-Q1712 PolarHBondContact O-N 2.98Å
1710	D	45.8	Very low	55.2	Low	132 Å²	132	88 Å²	88	71%	0.706	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-11.4	-178.8	-61.7	-39.7	0	0	0	115.6	L1708	L1708-D1710 PolarHBondContact O-N 2.87Å
1711	K	48	Very low	54.3	Low	146 Å²	146	85.7 Å²	85.7	64%	0.635	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-17	-166.8	-60.8	179.3	-142.5	72.9	0	115.5	D1709	D1709-K1711 PolarHBondContact O-N 2.91Å; D1709-K1711 IonicContact OD1-NZ 3.62Å; D1709-K1711 PolarHBondContact OD1-NZ 2.99Å; D1709-K1711 IonicContact OD2-NZ 2.77Å
1712	Q	48.2	Very low	53.4	Low	168 Å²	168	88.9 Å²	88.9	79%	0.785	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.4	-18.6	-164.1	-73.8	-160.4	-13.8	0	0	118.5	D1709	D1709-Q1712 PolarHBondContact O-N 2.98Å
1713	S	52.4	Low	52.7	Low	15 Å²	15	89.1 Å²	89.1	11%	0.105	44%	0.436	C	S	.	.			trans	-109.3	-13.2	-153.3	71.8	0	0	0	0	118.8	N1700 Q1715	N1700-S1713 VanDerWaalsContact N-CB 3.26Å; N1700-S1713 PolarHBondContact N-OG 3.16Å; S1713-Q1715 PolarHBondContact O-N 2.9Å
1714	I	54.8	Low	52.3	Low	60 Å²	60	90.3 Å²	90.3	31%	0.308	44%	0.444	S	S	.	.			trans	-82.4	112	-179.1	-52.6	-174.9	0	0	0	111.6	L1656 I1659 F1697 H1698 I1699	L1656-I1714 HydrophobicContact CD2-CD1 4.05Å; I1659-I1714 HydrophobicContact CD1-CG2 4.45Å; F1697-I1714 HydrophobicContact CD1-CG2 4.35Å; H1698-I1714 WeakPolarHBondContact O-CA 3.38Å; I1699-I1714 HydrophobicContact CG1-CG1 4.31Å
1715	Q	58.2	Low	51.8	Low	128 Å²	128	86.4 Å²	86.4	60%	0.598	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	156.9	167	-75.9	-178.7	-4.6	0	0	110.4	F1697 H1698 S1713	F1697-Q1715 VanDerWaalsContact CA-O 3.31Å; F1697-Q1715 WeakPolarHBondContact CA-O 3.46Å; H1698-Q1715 PolarHBondContact N-O 2.87Å; H1698-Q1715 VanDerWaalsContact NE2-CB 3.34Å; H1698-Q1715 WeakPolarHBondContact NE2-CB 3.48Å; H1698-Q1715 PolarHBondContact NE2-OE1 3.29Å; S1713-Q1715 PolarHBondContact O-N 2.9Å
1716	Q	62.8	Low	51.4	Low	49 Å²	49	84.9 Å²	84.9	23%	0.229	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146.5	177.8	-75.7	-180	-67.4	0	0	111.8	S1658 I1695 M1696 F1697	S1658-Q1716 PolarHBondContact O-OE1 2.83Å; S1658-Q1716 PolarHBondContact OG-OE1 3.43Å; I1695-Q1716 HydrophobicContact CG2-CB 4.34Å; I1695-Q1716 HydrophobicContact CG2-CG 4.25Å; M1696-Q1716 CarbonylContact O-C 3.58Å; M1696-Q1716 WeakPolarHBondContact O-CA 3.42Å; F1697-Q1716 HydrophobicContact CD1-CG 3.6Å; F1697-Q1716 HydrophobicContact CE1-CG 3.75Å; F1697-Q1716 VanDerWaalsContact CE1-NE2 3.29Å
1717	T	62.9	Low	50.9	Low	59 Å²	59	85.8 Å²	85.8	36%	0.362	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	126.6	-179.8	-2.5	0	0	0	0	109.6	I1695 M1696	I1695-T1717 CarbonylContact C-O 3.58Å; I1695-T1717 WeakPolarHBondContact CA-O 3.48Å; M1696-T1717 WeakPolarHBondContact CE-OG1 3.45Å; M1696-T1717 PolarHBondContact N-O 3.4Å; M1696-T1717 PolarHBondContact O-N 2.97Å; M1696-T1717 PolarHBondContact O-OG1 3.16Å
1718	Y	61.2	Low	50.7	Low	140 Å²	140	80.5 Å²	80.5	55%	0.549	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	133.5	-178.7	-74	-82.6	0	0	0	111.9	I1695	I1695-Y1718 HydrophobicContact CD1-CD1 4.27Å; I1695-Y1718 HydrophobicContact CD1-CE1 3.64Å; I1695-Y1718 HydrophobicContact CG1-CD1 3.79Å; I1695-Y1718 HydrophobicContact CG1-CE1 3.69Å
1719	L	57.6	Low	50.4	Low	30 Å²	30	82.7 Å²	82.7	16%	0.157	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.5	171.6	-60.1	172.3	0	0	0	109.2	K1693 A1694 I1741 I1756	K1693-L1719 WeakPolarHBondContact CA-O 3.41Å; A1694-L1719 HydrophobicContact CB-CB 4.19Å; A1694-L1719 HydrophobicContact CB-CD1 4.34Å; A1694-L1719 PolarHBondContact N-O 2.73Å; A1694-L1719 PolarHBondContact O-N 2.82Å; L1719-I1741 HydrophobicContact CD1-CD1 4.1Å; L1719-I1741 HydrophobicContact CD2-CD1 4.09Å; L1719-I1756 HydrophobicContact CD2-CD1 3.73Å
1720	L	51.7	Low	50.2	Low	115 Å²	115	80.5 Å²	80.5	60%	0.602	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	123.9	-172.5	-88.3	158.6	0	0	0	111.2	K1693	K1693-L1720 HydrophobicContact CD-CD2 4.34Å; K1693-L1720 HydrophobicContact CG-CD2 3.84Å
1721	C	49.6	Very low	50.1	Low	16 Å²	16	77.5 Å²	77.5	11%	0.108	39%	0.392	C	S	.	.			trans	-107.1	143.7	173.1	-78.5	0	0	0	0	111.4	S1692 N1723 T1726 I1728	S1692-C1721 PolarHBondContact O-N 2.91Å; C1721-N1723 VanDerWaalsContact C-N 3.33Å; C1721-N1723 PolarHBondContact O-N 3.14Å; C1721-T1726 HydrophobicContact CB-CG2 4.24Å; C1721-T1726 WeakPolarHBondContact CB-OG1 3.3Å; C1721-I1728 HydrophobicContact CB-CD1 4.18Å; C1721-I1728 HydrophobicContact CB-CG1 4.47Å
1722	P	47.4	Very low	49.8	Very low	78 Å²	78	73.1 Å²	73.1	51%	0.506	37%	0.371	S	S	.	.	S	Bend	trans	-79.8	0.3	-166.7	30.8	-37.2	0	0	0	116.2
1723	N	44	Very low	49.4	Very low	94 Å²	94	66.2 Å²	66.2	50%	0.503	34%	0.342	S	S	.	.	S	Bend	trans	-139.5	141.1	-174.9	-109.6	-18	0	0	0	112.6	C1721 T1726	C1721-N1723 VanDerWaalsContact C-N 3.33Å; C1721-N1723 PolarHBondContact O-N 3.14Å; N1723-T1726 HydrophobicContact CB-CG2 4.02Å; N1723-T1726 WeakPolarHBondContact O-CG2 3.48Å; N1723-T1726 PolarHBondContact O-N 2.94Å; N1723-T1726 PolarHBondContact O-OG1 3.41Å; N1723-T1726 VanDerWaalsContact O-OG1 3.08Å
1724	Q	42.4	Very low	48.8	Very low	187 Å²	187	69.2 Å²	69.2	87%	0.874	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	137.6	169.9	-68.7	-179.2	-16	0	0	110.2
1725	G	42.7	Very low	48	Very low	45 Å²	45	71.4 Å²	71.4	46%	0.464	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	7.9	-177.9	0	0	0	0	0	115.5	G1690 N1744	G1690-G1725 PolarHBondContact O-N 2.88Å; G1725-N1744 PolarHBondContact O-ND2 2.8Å
1726	T	42.7	Very low	47.4	Very low	6 Å²	6	68.2 Å²	68.2	4%	0.037	36%	0.355	C	S	.	.			trans	-64.3	132.3	159.9	51.9	0	0	0	0	109.5	C1721 N1723 N1744	C1721-T1726 HydrophobicContact CB-CG2 4.24Å; C1721-T1726 WeakPolarHBondContact CB-OG1 3.3Å; N1723-T1726 HydrophobicContact CB-CG2 4.02Å; N1723-T1726 WeakPolarHBondContact O-CG2 3.48Å; N1723-T1726 PolarHBondContact O-N 2.94Å; N1723-T1726 PolarHBondContact O-OG1 3.41Å; N1723-T1726 VanDerWaalsContact O-OG1 3.08Å; T1726-N1744 HydrophobicContact CG2-CB 4.29Å
1727	R	41.7	Very low	46.5	Very low	117 Å²	117	71 Å²	71	44%	0.442	37%	0.368	S	S	.	.			trans	-71.5	154.8	158.4	-63.8	-176.3	-178.6	-164.3	-0.1	108.7	I1742	R1727-I1742 VanDerWaalsContact O-O 3.09Å
1728	I	48	Very low	45.7	Very low	24 Å²	24	68.4 Å²	68.4	12%	0.123	35%	0.353	C	S	.	.			trans	-131.9	115.4	167.5	-60.2	178.1	0	0	0	105.1	A1694 C1721 I1741	A1694-I1728 HydrophobicContact CB-CD1 4.39Å; A1694-I1728 HydrophobicContact CB-CG2 4.29Å; C1721-I1728 HydrophobicContact CB-CD1 4.18Å; C1721-I1728 HydrophobicContact CB-CG1 4.47Å; I1728-I1741 HydrophobicContact CG2-CG2 4.24Å
1729	I	45	Very low	45	Very low	69 Å²	69	62 Å²	62	35%	0.354	33%	0.328	S	S	.	.			trans	-120.5	123.4	169	-55.2	177.9	0	0	0	105.6	I1731 I1741 I1742	I1729-I1731 HydrophobicContact CG2-CD1 4.38Å; I1729-I1731 HydrophobicContact CG2-CG1 3.87Å; I1729-I1741 WeakPolarHBondContact O-CA 3.2Å; I1729-I1742 HydrophobicContact CB-CB 4.47Å; I1729-I1742 HydrophobicContact CB-CD1 4.42Å; I1729-I1742 PolarHBondContact O-N 2.94Å; I1729-I1742 VanDerWaalsContact O-N 3.11Å
1730	G	46.5	Very low	44.6	Very low	13 Å²	13	61.7 Å²	61.7	13%	0.134	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	101.3	176.9	0	0	0	0	0	109.9	S1674 I1740	S1674-G1730 PolarHBondContact OG-O 2.89Å; G1730-I1740 WeakPolarHBondContact CA-O 3.47Å
1731	I	44.3	Very low	44.4	Very low	68 Å²	68	56.6 Å²	56.6	35%	0.349	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123.4	178.9	-52.7	179.4	0	0	0	108	I1729 I1739 I1740 I1742	I1729-I1731 HydrophobicContact CG2-CD1 4.38Å; I1729-I1731 HydrophobicContact CG2-CG1 3.87Å; I1731-I1739 WeakPolarHBondContact O-CA 3.23Å; I1731-I1740 HydrophobicContact CB-CB 4.49Å; I1731-I1740 PolarHBondContact N-O 3.07Å; I1731-I1740 PolarHBondContact O-N 3.27Å; I1731-I1742 HydrophobicContact CD1-CD1 4.03Å
1732	Y	41.6	Very low	44.4	Very low	54 Å²	54	57.9 Å²	57.9	21%	0.212	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	122.8	166.5	173.7	-99	0	0	0	108.9	Y1676 Y1678 Q1734	Y1676-Y1732 HydrophobicContact CD1-CD2 4.37Å; Y1676-Y1732 HydrophobicContact CD1-CG 4.17Å; Y1676-Y1732 HydrophobicContact CD2-CD1 4.42Å; Y1676-Y1732 AromaticContact CD2-CD2 3.65Å; Y1676-Y1732 HydrophobicContact CD2-CD2 3.65Å; Y1676-Y1732 HydrophobicContact CD2-CE2 4.01Å; Y1676-Y1732 AromaticContact CD2-CG 3.88Å; Y1676-Y1732 HydrophobicContact CD2-CG 3.88Å; Y1676-Y1732 HydrophobicContact CE1-CD2 4.42Å; Y1676-Y1732 AromaticContact CE2-CD2 3.72Å; Y1676-Y1732 HydrophobicContact CE2-CD2 3.72Å; Y1676-Y1732 HydrophobicContact CE2-CE2 4.07Å; Y1676-Y1732 HydrophobicContact CE2-CG 4.35Å; Y1676-Y1732 HydrophobicContact CG-CD1 4.33Å; Y1676-Y1732 HydrophobicContact CG-CD2 4.01Å; Y1676-Y1732 AromaticContact CG-CG 3.79Å; Y1676-Y1732 HydrophobicContact CG-CG 3.79Å; Y1678-Y1732 HydrophobicContact CD2-CE2 4.26Å; Y1678-Y1732 WeakPolarHBondContact CD2-OH 3.42Å; Y1732-Q1734 HydrophobicContact CE1-CB 4.47Å; Y1732-Q1734 HydrophobicContact CE1-CG 3.95Å
1733	S	38.9	Very low	44.2	Very low	23 Å²	23	54.2 Å²	54.2	16%	0.161	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.5	173.3	164.7	0	0	0	0	109.3	L1735 T1736 Q1737 S1738	S1733-L1735 PolarHBondContact O-N 3.21Å; S1733-L1735 PolarHBondContact OG-N 3.29Å; S1733-T1736 VanDerWaalsContact CB-OG1 3.23Å; S1733-T1736 WeakPolarHBondContact CB-OG1 3.29Å; S1733-T1736 PolarHBondContact O-N 3.4Å; S1733-T1736 PolarHBondContact OG-N 3.18Å; S1733-T1736 PolarHBondContact OG-OG1 3.42Å; S1733-Q1737 WeakPolarHBondContact O-CA 3.33Å; S1733-Q1737 PolarHBondContact O-N 3.25Å; S1733-S1738 PolarHBondContact N-O 2.95Å
1734	Q	41.2	Very low	44.1	Very low	79 Å²	79	52.5 Å²	52.5	37%	0.369	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-40.2	170.7	-86.6	177.5	-26.2	0	0	111	D1589 Y1732 T1736 S1835	D1589-Q1734 PolarHBondContact OD2-NE2 3.17Å; Y1732-Q1734 HydrophobicContact CE1-CB 4.47Å; Y1732-Q1734 HydrophobicContact CE1-CG 3.95Å; Q1734-T1736 VanDerWaalsContact C-N 3.33Å; Q1734-T1736 PolarHBondContact O-N 3.34Å; Q1734-S1835 PolarHBondContact OE1-OG 2.86Å
1735	L	37.2	Very low	44	Very low	106 Å²	106	50.4 Å²	50.4	56%	0.555	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.9	-178.8	-81.1	164.7	0	0	0	113.9	S1733	S1733-L1735 PolarHBondContact O-N 3.21Å; S1733-L1735 PolarHBondContact OG-N 3.29Å
1736	T	46	Very low	43.9	Very low	60 Å²	60	51.6 Å²	51.6	37%	0.368	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-2.6	-178.4	62.5	0	0	0	0	114	S1733 Q1734 S1738	S1733-T1736 VanDerWaalsContact CB-OG1 3.23Å; S1733-T1736 WeakPolarHBondContact CB-OG1 3.29Å; S1733-T1736 PolarHBondContact O-N 3.4Å; S1733-T1736 PolarHBondContact OG-N 3.18Å; S1733-T1736 PolarHBondContact OG-OG1 3.42Å; Q1734-T1736 VanDerWaalsContact C-N 3.33Å; Q1734-T1736 PolarHBondContact O-N 3.34Å; T1736-S1738 WeakPolarHBondContact CB-OG 3.2Å; T1736-S1738 PolarHBondContact O-N 2.95Å; T1736-S1738 VanDerWaalsContact O-N 3.12Å; T1736-S1738 PolarHBondContact OG1-OG 3.09Å
1737	Q	44.4	Very low	43.6	Very low	108 Å²	108	52.6 Å²	52.6	51%	0.505	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	29.9	-175	-60.5	-176.3	-13.2	0	0	113.6	Y1678 S1733	Y1678-Q1737 HydrophobicContact CE2-CB 3.83Å; Y1678-Q1737 HydrophobicContact CE2-CG 4Å; Y1678-Q1737 PolarHBondContact OH-OE1 3.01Å; S1733-Q1737 WeakPolarHBondContact O-CA 3.33Å; S1733-Q1737 PolarHBondContact O-N 3.25Å
1738	S	46.1	Very low	43.6	Very low	5 Å²	5	52.3 Å²	52.3	4%	0.035	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	166	-167.3	77.1	0	0	0	0	113.2	S1733 T1736 I1757	S1733-S1738 PolarHBondContact N-O 2.95Å; T1736-S1738 WeakPolarHBondContact CB-OG 3.2Å; T1736-S1738 PolarHBondContact O-N 2.95Å; T1736-S1738 VanDerWaalsContact O-N 3.12Å; T1736-S1738 PolarHBondContact OG1-OG 3.09Å; S1738-I1757 VanDerWaalsContact OG-CD1 3.26Å; S1738-I1757 WeakPolarHBondContact OG-CD1 3.47Å
1739	I	46.3	Very low	43.1	Very low	6 Å²	6	59.8 Å²	59.8	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122.7	175.9	-48.1	171.5	0	0	0	108.8	I1685 M1696 I1731 I1741 K1755 I1756 I1757	I1685-I1739 HydrophobicContact CD1-CD1 4.24Å; I1685-I1739 HydrophobicContact CD1-CG2 4.14Å; M1696-I1739 HydrophobicContact CE-CD1 4.45Å; M1696-I1739 HydrophobicContact SD-CD1 3.61Å; I1731-I1739 WeakPolarHBondContact O-CA 3.23Å; I1739-I1741 HydrophobicContact CG2-CG1 4.17Å; I1739-K1755 PolarHBondContact N-O 3.19Å; I1739-I1756 WeakPolarHBondContact O-CA 3.49Å; I1739-I1757 PolarHBondContact O-N 3.06Å
1740	I	48.1	Very low	42.6	Very low	22 Å²	22	60.5 Å²	60.5	11%	0.113	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.8	169.9	-60.4	159.8	0	0	0	107.3	G1730 I1731 M1785	G1730-I1740 WeakPolarHBondContact CA-O 3.47Å; I1731-I1740 HydrophobicContact CB-CB 4.49Å; I1731-I1740 PolarHBondContact N-O 3.07Å; I1731-I1740 PolarHBondContact O-N 3.27Å; I1740-M1785 HydrophobicContact CD1-CE 4.02Å; I1740-M1785 HydrophobicContact CD1-SD 4.37Å
1741	I	48.5	Very low	42.1	Very low	8 Å²	8	65.5 Å²	65.5	4%	0.041	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130	179.4	-61.1	-176.8	0	0	0	109.3	L1719 I1728 I1729 I1739 P1743 I1756	L1719-I1741 HydrophobicContact CD1-CD1 4.1Å; L1719-I1741 HydrophobicContact CD2-CD1 4.09Å; I1728-I1741 HydrophobicContact CG2-CG2 4.24Å; I1729-I1741 WeakPolarHBondContact O-CA 3.2Å; I1739-I1741 HydrophobicContact CG2-CG1 4.17Å; I1741-P1743 WeakPolarHBondContact O-CD 3.42Å; I1741-I1756 HydrophobicContact CB-CG2 4.49Å; I1741-I1756 HydrophobicContact CD1-CB 4.48Å; I1741-I1756 HydrophobicContact CD1-CD1 3.82Å; I1741-I1756 HydrophobicContact CD1-CG1 3.92Å; I1741-I1756 HydrophobicContact CD1-CG2 3.73Å; I1741-I1756 HydrophobicContact CG1-CG2 4.03Å
1742	I	48.3	Very low	41.5	Very low	44 Å²	44	70.6 Å²	70.6	23%	0.226	38%	0.375	C	S	.	.			trans	-109.7	93.2	-179.6	-51.9	173.7	0	0	0	111.2	R1727 I1729 I1731	R1727-I1742 VanDerWaalsContact O-O 3.09Å; I1729-I1742 HydrophobicContact CB-CB 4.47Å; I1729-I1742 HydrophobicContact CB-CD1 4.42Å; I1729-I1742 PolarHBondContact O-N 2.94Å; I1729-I1742 VanDerWaalsContact O-N 3.11Å; I1731-I1742 HydrophobicContact CD1-CD1 4.03Å
1743	P	44.1	Very low	41.2	Very low	1 Å²	1	74.1 Å²	74.1	1%	0.006	40%	0.398	C	S	.	.			trans	-100.4	151.9	173.5	37.5	-32.6	0	0	0	113	I1741 R1745 C1759	I1741-P1743 WeakPolarHBondContact O-CD 3.42Å; P1743-R1745 WeakPolarHBondContact CG-O 3.4Å; P1743-R1745 PolarHBondContact O-N 3.42Å; P1743-C1759 HydrophobicContact CG-CB 3.9Å; P1743-C1759 VanDerWaalsContact CG-SG 3.57Å
1744	N	42.4	Very low	41.3	Very low	58 Å²	58	79.8 Å²	79.8	31%	0.31	43%	0.426	S	S	.	.	S	Bend	trans	-64.5	-9.5	-179.4	-80.2	-13.6	0	0	0	115.6	G1725 T1726 F1763	G1725-N1744 PolarHBondContact O-ND2 2.8Å; T1726-N1744 HydrophobicContact CG2-CB 4.29Å; N1744-F1763 WeakPolarHBondContact O-CE2 3.36Å
1745	R	40.2	Very low	41.5	Very low	142 Å²	142	80 Å²	80	54%	0.536	43%	0.426	S	S	.	.	S	Bend	trans	-154.8	152.3	170.4	-87.4	-169	178.2	168.2	-0.3	108.3	P1743 F1763	P1743-R1745 WeakPolarHBondContact CG-O 3.4Å; P1743-R1745 PolarHBondContact O-N 3.42Å; R1745-F1763 HydrophobicContact CG-CD2 4.46Å
1746	S	40.1	Very low	41.9	Very low	71 Å²	71	77.6 Å²	77.6	50%	0.497	41%	0.413	S	S	.	.			trans	-51.5	125.5	172.4	36.9	0	0	0	0	112.2	S1748 D1761	S1746-S1748 PolarHBondContact O-N 3.44Å; S1746-D1761 PolarHBondContact OG-OD2 2.95Å; S1746-D1761 VanDerWaalsContact OG-OD2 3.05Å
1747	P	36.1	Very low	41.8	Very low	26 Å²	26	79.7 Å²	79.7	17%	0.169	42%	0.421	C	S	.	.			trans	-74.4	121	178	29.2	-32.1	0	0	0	109.7	M1749 I1750	P1747-M1749 PolarHBondContact O-N 2.79Å; P1747-M1749 VanDerWaalsContact O-N 3.11Å; P1747-I1750 HydrophobicContact CB-CD1 4.09Å; P1747-I1750 HydrophobicContact CB-CG1 4.15Å; P1747-I1750 HydrophobicContact CG-CD1 3.64Å; P1747-I1750 HydrophobicContact CG-CG1 4.01Å
1748	S	42.3	Very low	41.5	Very low	111 Å²	111	78.9 Å²	78.9	78%	0.776	42%	0.42	S	S	*	.	S	Bend	trans	-69.8	-8.5	-171.5	52.6	0	0	0	0	115.5	S1746	S1746-S1748 PolarHBondContact O-N 3.44Å
1749	M	37	Very low	41	Very low	181 Å²	181	80.1 Å²	80.1	89%	0.892	43%	0.428	S	S	*	.			trans	-147.5	92.9	172.7	-75.9	-167.2	162.3	0	0	111.1	P1747	P1747-M1749 PolarHBondContact O-N 2.79Å; P1747-M1749 VanDerWaalsContact O-N 3.11Å
1750	I	35.2	Very low	40.9	Very low	84 Å²	84	84.3 Å²	84.3	43%	0.431	45%	0.45	S	S	.	.			trans	-125.4	128.4	151.7	-60.6	-177.4	0	0	0	106.4	P1747	P1747-I1750 HydrophobicContact CB-CD1 4.09Å; P1747-I1750 HydrophobicContact CB-CG1 4.15Å; P1747-I1750 HydrophobicContact CG-CD1 3.64Å; P1747-I1750 HydrophobicContact CG-CG1 4.01Å
1751	T	36.4	Very low	40.5	Very low	119 Å²	119	86.2 Å²	86.2	73%	0.73	46%	0.46	S	S	*	.			trans	-77.8	148.7	-178.6	43.1	0	0	0	0	111.6	N1753	T1751-N1753 PolarHBondContact O-N 3.41Å
1752	L	30.9	Very low	40.1	Very low	175 Å²	175	88 Å²	88	92%	0.916	47%	0.469	S	S	*	.	S	Bend	trans	-65.9	17.8	-168.9	-115	154.8	0	0	0	117.3
1753	N	34.7	Very low	39.8	Very low	128 Å²	128	88.8 Å²	88.8	68%	0.684	47%	0.471	S	S	*	.			trans	-122.5	152	-178.1	-69.5	4.6	0	0	0	111.3	T1751	T1751-N1753 PolarHBondContact O-N 3.41Å
1754	D	41.9	Very low	39.6	Very low	141 Å²	141	91.8 Å²	91.8	75%	0.754	49%	0.487	S	S	*	.	S	Bend	trans	68.4	86.7	170.1	-57.7	-23.1	0	0	0	117.9	I1756	D1754-I1756 VanDerWaalsContact C-N 3.29Å; D1754-I1756 PolarHBondContact O-N 3.32Å
1755	K	46	Very low	39.5	Very low	85 Å²	85	98.8 Å²	98.8	37%	0.37	52%	0.515	S	S	.	.	S	Bend	trans	62.1	1.9	152.6	-61.9	-162	173.9	-162.4	0	119.8	I1739	I1739-K1755 PolarHBondContact N-O 3.19Å
1756	I	45.5	Very low	39.6	Very low	54 Å²	54	101 Å²	101	28%	0.277	53%	0.531	S	S	.	.	B	Isolated β-bridge	trans	-105.1	122.9	173.8	-59.1	166.4	0	0	0	108.9	L1719 I1739 I1741 D1754	L1719-I1756 HydrophobicContact CD2-CD1 3.73Å; I1739-I1756 WeakPolarHBondContact O-CA 3.49Å; I1741-I1756 HydrophobicContact CB-CG2 4.49Å; I1741-I1756 HydrophobicContact CD1-CB 4.48Å; I1741-I1756 HydrophobicContact CD1-CD1 3.82Å; I1741-I1756 HydrophobicContact CD1-CG1 3.92Å; I1741-I1756 HydrophobicContact CD1-CG2 3.73Å; I1741-I1756 HydrophobicContact CG1-CG2 4.03Å; D1754-I1756 VanDerWaalsContact C-N 3.29Å; D1754-I1756 PolarHBondContact O-N 3.32Å
1757	I	43.3	Very low	39.9	Very low	104 Å²	104	100.8 Å²	100.8	53%	0.533	53%	0.53	S	S	.	.			trans	-103.6	-48.8	-169.3	-70.4	-165.8	0	0	0	116.5	S1738 I1739	S1738-I1757 VanDerWaalsContact OG-CD1 3.26Å; S1738-I1757 WeakPolarHBondContact OG-CD1 3.47Å; I1739-I1757 PolarHBondContact O-N 3.06Å
1758	D	37.1	Very low	39.9	Very low	91 Å²	91	102 Å²	102	49%	0.487	55%	0.547	S	S	.	.			trans	-156.8	176	-178.9	-138.6	-33	0	0	0	115.1
1759	C	37.1	Very low	39.6	Very low	31 Å²	31	101.7 Å²	101.7	21%	0.209	54%	0.537	C	S	.	.			trans	-141.7	129.9	-175.3	-71	0	0	0	0	113.3	P1743	P1743-C1759 HydrophobicContact CG-CB 3.9Å; P1743-C1759 VanDerWaalsContact CG-SG 3.57Å
1760	I	43.1	Very low	39.4	Very low	95 Å²	95	98.2 Å²	98.2	49%	0.487	52%	0.517	S	S	.	.			trans	-89.8	114.5	-179	-56.4	172.3	0	0	0	111.2	L1762	I1760-L1762 HydrophobicContact CG2-CD2 4.18Å
1761	D	40.2	Very low	39.6	Very low	61 Å²	61	96.8 Å²	96.8	33%	0.326	51%	0.509	S	S	.	.			trans	-90.1	112.2	179.2	-143.8	-30	0	0	0	111.4	S1746 F1763	S1746-D1761 PolarHBondContact OG-OD2 2.95Å; S1746-D1761 VanDerWaalsContact OG-OD2 3.05Å; D1761-F1763 VanDerWaalsContact C-N 3.28Å; D1761-F1763 PolarHBondContact O-N 2.98Å
1762	L	39.6	Very low	39.5	Very low	46 Å²	46	97 Å²	97	24%	0.241	50%	0.5	C	S	.	.			trans	-87.8	21.2	-171	-68.6	173.1	0	0	0	114.6	I1760 I1771 I1774	I1760-L1762 HydrophobicContact CG2-CD2 4.18Å; L1762-I1771 WeakPolarHBondContact O-CG1 3.32Å; L1762-I1771 PolarHBondContact O-N 3.02Å; L1762-I1774 HydrophobicContact CD2-CD1 4.39Å
1763	F	41.7	Very low	39.5	Very low	61 Å²	61	94.3 Å²	94.3	27%	0.268	48%	0.478	S	S	.	.	B	Isolated β-bridge	trans	-124.9	136.5	-178.3	-68.6	-88.1	0	0	0	111.7	N1744 R1745 D1761 K1765 N1769 F1770	N1744-F1763 WeakPolarHBondContact O-CE2 3.36Å; R1745-F1763 HydrophobicContact CG-CD2 4.46Å; D1761-F1763 VanDerWaalsContact C-N 3.28Å; D1761-F1763 PolarHBondContact O-N 2.98Å; F1763-K1765 PolarHBondContact O-N 3.08Å; F1763-N1769 WeakPolarHBondContact CA-O 3.34Å; F1763-F1770 HydrophobicContact CE1-CB 4.32Å; F1763-F1770 HydrophobicContact CE1-CD2 4.02Å; F1763-F1770 AromaticContact CZ-CD2 3.95Å; F1763-F1770 HydrophobicContact CZ-CD2 3.95Å
1764	D	40.6	Very low	39.4	Very low	63 Å²	63	92 Å²	92	34%	0.337	47%	0.465	S	S	.	.			trans	-66.1	123.1	171.5	162.9	30.5	0	0	0	110	Q1766 S1767 G1768 N1769 I1771	D1764-Q1766 PolarHBondContact O-N 2.99Å; D1764-Q1766 PolarHBondContact OD1-N 3.48Å; D1764-S1767 WeakPolarHBondContact OD2-CA 3.45Å; D1764-S1767 WeakPolarHBondContact OD2-CB 3.42Å; D1764-S1767 PolarHBondContact OD2-N 3.46Å; D1764-S1767 PolarHBondContact OD2-OG 2.7Å; D1764-G1768 WeakPolarHBondContact O-CA 3.34Å; D1764-G1768 PolarHBondContact O-N 2.94Å; D1764-N1769 PolarHBondContact N-O 3.36Å; D1764-I1771 HydrophobicContact CB-CG1 4.49Å
1765	K	41.5	Very low	38.8	Very low	205 Å²	205	89.1 Å²	89.1	89%	0.891	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.8	179.6	-95	175.6	176.5	164.8	0	114.3	F1763	F1763-K1765 PolarHBondContact O-N 3.08Å
1766	Q	40.8	Very low	38	Very low	189 Å²	189	87.9 Å²	87.9	88%	0.883	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-49.7	180	-66.9	-167.2	-0.6	0	0	113.2	D1764	D1764-Q1766 PolarHBondContact O-N 2.99Å; D1764-Q1766 PolarHBondContact OD1-N 3.48Å
1767	S	46.9	Very low	37.4	Very low	66 Å²	66	91.8 Å²	91.8	46%	0.462	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-12.3	-176.2	73.9	0	0	0	0	114.8	D1764 N1769	D1764-S1767 WeakPolarHBondContact OD2-CA 3.45Å; D1764-S1767 WeakPolarHBondContact OD2-CB 3.42Å; D1764-S1767 PolarHBondContact OD2-N 3.46Å; D1764-S1767 PolarHBondContact OD2-OG 2.7Å; S1767-N1769 VanDerWaalsContact CB-ND2 3.27Å; S1767-N1769 WeakPolarHBondContact CB-ND2 3.48Å; S1767-N1769 PolarHBondContact O-N 3.1Å; S1767-N1769 VanDerWaalsContact O-N 3.09Å; S1767-N1769 PolarHBondContact O-ND2 3.32Å; S1767-N1769 PolarHBondContact OG-N 3.4Å; S1767-N1769 PolarHBondContact OG-ND2 3.4Å
1768	G	35.5	Very low	36.6	Very low	52 Å²	52	92 Å²	92	54%	0.536	47%	0.471	S	S	.	.			trans	66.7	4.1	-176	0	0	0	0	0	114.3	D1764	D1764-G1768 WeakPolarHBondContact O-CA 3.34Å; D1764-G1768 PolarHBondContact O-N 2.94Å
1769	N	36.3	Very low	36.3	Very low	104 Å²	104	94.2 Å²	94.2	56%	0.556	48%	0.483	S	S	*	.			trans	-75.2	150.7	176.6	-70.6	-68.3	0	0	0	111.1	F1763 D1764 S1767 I1771	F1763-N1769 WeakPolarHBondContact CA-O 3.34Å; D1764-N1769 PolarHBondContact N-O 3.36Å; S1767-N1769 VanDerWaalsContact CB-ND2 3.27Å; S1767-N1769 WeakPolarHBondContact CB-ND2 3.48Å; S1767-N1769 PolarHBondContact O-N 3.1Å; S1767-N1769 VanDerWaalsContact O-N 3.09Å; S1767-N1769 PolarHBondContact O-ND2 3.32Å; S1767-N1769 PolarHBondContact OG-N 3.4Å; S1767-N1769 PolarHBondContact OG-ND2 3.4Å; N1769-I1771 PolarHBondContact O-N 3.05Å
1770	F	33.4	Very low	36	Very low	109 Å²	109	98.5 Å²	98.5	48%	0.478	50%	0.504	S	S	.	.	B	Isolated β-bridge	trans	-57.7	132.8	167.1	-162.3	-91.4	0	0	0	109.7	F1763 K1772	F1763-F1770 HydrophobicContact CE1-CB 4.32Å; F1763-F1770 HydrophobicContact CE1-CD2 4.02Å; F1763-F1770 AromaticContact CZ-CD2 3.95Å; F1763-F1770 HydrophobicContact CZ-CD2 3.95Å; F1770-K1772 PolarHBondContact O-N 3.31Å
1771	I	38.4	Very low	35.4	Very low	53 Å²	53	97.7 Å²	97.7	27%	0.272	50%	0.503	S	S	.	.			trans	-69.8	92.7	-179.5	-62.9	173.2	0	0	0	108.9	L1762 D1764 N1769 R1773 I1774	L1762-I1771 WeakPolarHBondContact O-CG1 3.32Å; L1762-I1771 PolarHBondContact O-N 3.02Å; D1764-I1771 HydrophobicContact CB-CG1 4.49Å; N1769-I1771 PolarHBondContact O-N 3.05Å; I1771-R1773 VanDerWaalsContact C-N 3.29Å; I1771-R1773 WeakPolarHBondContact CG2-O 3.26Å; I1771-I1774 HydrophobicContact CG2-CG1 3.73Å
1772	K	34	Very low	35.1	Very low	123 Å²	123	99.4 Å²	99.4	54%	0.535	51%	0.508	S	S	.	.	S	Bend	trans	-74.5	-20.1	176.5	-70.3	-173.5	166	-167.8	0	113.1	F1770 Y1860	F1770-K1772 PolarHBondContact O-N 3.31Å; K1772-Y1860 PolarHBondContact O-OH 3.38Å
1773	R	32.9	Very low	34.6	Very low	120 Å²	120	100.5 Å²	100.5	45%	0.453	52%	0.52	S	S	.	.			trans	-129.7	102.2	177.7	-90.6	168.3	162	-133.2	3.4	108.7	I1771 E1775 S1859 Y1860	I1771-R1773 VanDerWaalsContact C-N 3.29Å; I1771-R1773 WeakPolarHBondContact CG2-O 3.26Å; R1773-E1775 HydrophobicContact CB-CB 4.47Å; R1773-E1775 HydrophobicContact CB-CG 4.12Å; R1773-E1775 WeakPolarHBondContact CD-OE2 3.48Å; R1773-E1775 HydrophobicContact CG-CG 4.26Å; R1773-E1775 WeakPolarHBondContact CG-OE2 3.45Å; R1773-E1775 IonicContact CZ-OE1 3.75Å; R1773-E1775 IonicContact CZ-OE2 3.5Å; R1773-E1775 VanDerWaalsContact CZ-OE2 3.25Å; R1773-E1775 IonicContact NE-OE1 2.68Å; R1773-E1775 IonicContact NE-OE2 3.31Å; R1773-E1775 PolarHBondContact NE-OE2 2.92Å; R1773-E1775 IonicContact NH1-OE1 3.8Å; R1773-E1775 PolarHBondContact NH1-OE1 2.95Å; R1773-E1775 IonicContact NH1-OE2 2.68Å; R1773-E1775 PolarHBondContact NH1-OE2 3.18Å; R1773-E1775 IonicContact NH2-OE1 2.76Å; R1773-E1775 PolarHBondContact O-N 2.95Å; R1773-S1859 VanDerWaalsContact CZ-CB 3.44Å; R1773-S1859 VanDerWaalsContact NE-CB 3.29Å; R1773-S1859 PolarHBondContact NE-OG 3.45Å; R1773-S1859 PolarHBondContact NH2-OG 3.32Å; R1773-Y1860 WeakPolarHBondContact CA-OH 3.47Å
1774	I	32.3	Very low	34.1	Very low	80 Å²	80	105.4 Å²	105.4	41%	0.41	54%	0.541	S	S	.	.			trans	-80.9	71.8	162.4	-53.4	178.1	0	0	0	106.6	L1762 I1771 F1782 Y1860	L1762-I1774 HydrophobicContact CD2-CD1 4.39Å; I1771-I1774 HydrophobicContact CG2-CG1 3.73Å; I1774-F1782 HydrophobicContact CG2-CE2 4.15Å; I1774-F1782 HydrophobicContact CG2-CZ 4.04Å; I1774-Y1860 PolarHBondContact N-OH 2.85Å
1775	E	28.5	Very low	33.7	Very low	79 Å²	79	107.2 Å²	107.2	37%	0.369	55%	0.549	S	S	.	.			trans	-107.1	96	173.6	-72.2	176.6	151	0	0	107.2	R1773 I1777 S1859	R1773-E1775 HydrophobicContact CB-CB 4.47Å; R1773-E1775 HydrophobicContact CB-CG 4.12Å; R1773-E1775 WeakPolarHBondContact CD-OE2 3.48Å; R1773-E1775 HydrophobicContact CG-CG 4.26Å; R1773-E1775 WeakPolarHBondContact CG-OE2 3.45Å; R1773-E1775 IonicContact CZ-OE1 3.75Å; R1773-E1775 IonicContact CZ-OE2 3.5Å; R1773-E1775 VanDerWaalsContact CZ-OE2 3.25Å; R1773-E1775 IonicContact NE-OE1 2.68Å; R1773-E1775 IonicContact NE-OE2 3.31Å; R1773-E1775 PolarHBondContact NE-OE2 2.92Å; R1773-E1775 IonicContact NH1-OE1 3.8Å; R1773-E1775 PolarHBondContact NH1-OE1 2.95Å; R1773-E1775 IonicContact NH1-OE2 2.68Å; R1773-E1775 PolarHBondContact NH1-OE2 3.18Å; R1773-E1775 IonicContact NH2-OE1 2.76Å; R1773-E1775 PolarHBondContact O-N 2.95Å; E1775-I1777 PolarHBondContact O-N 3.46Å; E1775-S1859 WeakPolarHBondContact OE1-CB 3.29Å
1776	S	29.9	Very low	33.3	Very low	60 Å²	60	102 Å²	102	42%	0.42	53%	0.528	S	S	.	.			trans	-77.8	90.2	-174.3	52.8	0	0	0	0	111.4	N1778 T1781	S1776-N1778 PolarHBondContact O-N 3.14Å; S1776-T1781 WeakPolarHBondContact CB-OG1 3.41Å
1777	I	32.2	Very low	32.6	Very low	136 Å²	136	97.4 Å²	97.4	70%	0.697	51%	0.514	S	S	*	.	S	Bend	trans	-67.1	-13.7	170.6	-61.4	173.3	0	0	0	111.5	E1775	E1775-I1777 PolarHBondContact O-N 3.46Å
1778	N	27	Very low	31.7	Very low	108 Å²	108	105 Å²	105	58%	0.578	53%	0.534	S	S	*	.	S	Bend	trans	-114.2	129	172	-71.9	-62.5	0	0	0	111.8	S1776 N1780 T1781	S1776-N1778 PolarHBondContact O-N 3.14Å; N1778-N1780 PolarHBondContact O-N 3.29Å; N1778-N1780 VanDerWaalsContact O-N 3.07Å; N1778-T1781 PolarHBondContact O-N 3.47Å; N1778-T1781 VanDerWaalsContact O-N 3.15Å; N1778-T1781 PolarHBondContact O-OG1 2.97Å
1779	D	31.3	Very low	31.3	Very low	137 Å²	137	109.2 Å²	109.2	73%	0.733	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-54.5	-30.5	176.9	-55.2	-53.9	0	0	0	113	T1781	D1779-T1781 PolarHBondContact O-N 2.87Å
1780	N	30	Very low	30.9	Very low	121 Å²	121	111.9 Å²	111.9	65%	0.647	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-63.7	-8	-179.1	-60.1	-24.3	0	0	0	114.8	N1778 F1782 S1783	N1778-N1780 PolarHBondContact O-N 3.29Å; N1778-N1780 VanDerWaalsContact O-N 3.07Å; N1780-F1782 PolarHBondContact O-N 2.89Å; N1780-S1783 WeakPolarHBondContact CA-OG 3.45Å; N1780-S1783 PolarHBondContact O-OG 2.86Å
1781	T	31.2	Very low	30.5	Very low	78 Å²	78	113.9 Å²	113.9	48%	0.479	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-74.4	-26.3	-171.6	-43	0	0	0	0	113.1	S1776 N1778 D1779	S1776-T1781 WeakPolarHBondContact CB-OG1 3.41Å; N1778-T1781 PolarHBondContact O-N 3.47Å; N1778-T1781 VanDerWaalsContact O-N 3.15Å; N1778-T1781 PolarHBondContact O-OG1 2.97Å; D1779-T1781 PolarHBondContact O-N 2.87Å
1782	F	33.2	Very low	30	Very low	98 Å²	98	116.6 Å²	116.6	43%	0.43	58%	0.584	S	S	.	*	S	Bend	trans	-120	5.6	176.3	-74.1	-79.1	0	0	0	113.2	I1774 N1780 F1784 M1785 L1795	I1774-F1782 HydrophobicContact CG2-CE2 4.15Å; I1774-F1782 HydrophobicContact CG2-CZ 4.04Å; N1780-F1782 PolarHBondContact O-N 2.89Å; F1782-F1784 PolarHBondContact O-N 3.21Å; F1782-M1785 PolarHBondContact O-N 3.42Å; F1782-L1795 HydrophobicContact CB-CD1 3.76Å; F1782-L1795 HydrophobicContact CD1-CD1 3.87Å; F1782-L1795 HydrophobicContact CD2-CD1 4.18Å; F1782-L1795 HydrophobicContact CG-CD1 3.69Å
1783	S	29.4	Very low	29.5	Very low	69 Å²	69	115.6 Å²	115.6	48%	0.483	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.4	11.3	-167.5	66.3	0	0	0	0	116.6	N1780	N1780-S1783 WeakPolarHBondContact CA-OG 3.45Å; N1780-S1783 PolarHBondContact O-OG 2.86Å
1784	F	31.8	Very low	29.3	Very low	164 Å²	164	113.9 Å²	113.9	72%	0.719	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	-2	-176.6	-71.1	-87	0	0	0	113.9	F1782	F1782-F1784 PolarHBondContact O-N 3.21Å
1785	M	31.4	Very low	29.1	Very low	100 Å²	100	115.9 Å²	115.9	49%	0.493	60%	0.598	S	S	.	*	S	Bend	trans	-95.1	-29.2	-173.1	-82	-77.1	132.9	0	0	115.9	I1740 F1782	I1740-M1785 HydrophobicContact CD1-CE 4.02Å; I1740-M1785 HydrophobicContact CD1-SD 4.37Å; F1782-M1785 PolarHBondContact O-N 3.42Å
1786	E	32.2	Very low	29	Very low	96 Å²	96	116 Å²	116	45%	0.449	60%	0.604	S	S	.	*			trans	-137.4	112.9	179.1	-72.6	-168.7	144.7	0	0	113.1	V1794	E1786-V1794 WeakPolarHBondContact OE2-CB 3.26Å; E1786-V1794 WeakPolarHBondContact OE2-CG2 3.49Å
1787	P	27.2	Very low	28.8	Very low	92 Å²	92	118 Å²	118	60%	0.597	61%	0.614	S	S	*	*			trans	-100.3	135.3	173.6	-2.9	23.8	0	0	0	114.1
1788	Y	26.7	Very low	28.5	Very low	226 Å²	226	119.7 Å²	119.7	89%	0.886	61%	0.612	S	S	*	*			trans	58.4	51.9	152.1	-58.6	-68.8	0	0	0	120.3
1789	L	28.1	Very low	28.6	Very low	141 Å²	141	120.8 Å²	120.8	74%	0.738	62%	0.616	S	S	*	*			trans	-126.1	127.1	154.6	-90	167.4	0	0	0	111.8	N1791	L1789-N1791 VanDerWaalsContact C-N 3.28Å; L1789-N1791 PolarHBondContact O-N 3.14Å
1790	N	27.5	Very low	28.5	Very low	160 Å²	160	118.5 Å²	118.5	86%	0.856	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	8.5	-156	-88.3	-27.7	0	0	0	117.5
1791	N	25.5	Very low	28.3	Very low	150 Å²	150	118.9 Å²	118.9	80%	0.802	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.3	28.9	-177.9	-74.9	-70.5	0	0	0	114.9	L1789	L1789-N1791 VanDerWaalsContact C-N 3.28Å; L1789-N1791 PolarHBondContact O-N 3.14Å
1792	F	28.3	Very low	28.2	Very low	111 Å²	111	118.4 Å²	118.4	49%	0.487	61%	0.61	S	S	.	*			trans	-131.7	96.4	175.6	-97.4	-74	0	0	0	112.9	V1794 I1799 I1833	F1792-V1794 VanDerWaalsContact C-N 3.28Å; F1792-V1794 HydrophobicContact CB-CG2 3.97Å; F1792-V1794 HydrophobicContact CD1-CG2 3.77Å; F1792-V1794 HydrophobicContact CG-CG2 4.29Å; F1792-V1794 PolarHBondContact O-N 3.38Å; F1792-I1799 HydrophobicContact CE1-CD1 4.36Å; F1792-I1833 HydrophobicContact CD2-CD1 4.17Å; F1792-I1833 HydrophobicContact CE1-CD1 4.01Å; F1792-I1833 HydrophobicContact CE2-CD1 3.5Å; F1792-I1833 VanDerWaalsContact CE2-CD1 3.5Å; F1792-I1833 HydrophobicContact CZ-CD1 3.4Å; F1792-I1833 VanDerWaalsContact CZ-CD1 3.4Å
1793	N	23.8	Very low	27.9	Very low	101 Å²	101	119.7 Å²	119.7	54%	0.54	62%	0.616	S	S	.	*			trans	-87.3	53.6	177.2	-86.1	11.2	0	0	0	111.8	L1795 T1796 T1797	N1793-L1795 VanDerWaalsContact C-N 3.26Å; N1793-L1795 PolarHBondContact O-N 3.09Å; N1793-T1796 WeakPolarHBondContact CB-O 3.46Å; N1793-T1796 PolarHBondContact ND2-O 3.43Å; N1793-T1796 PolarHBondContact O-N 3.5Å; N1793-T1797 WeakPolarHBondContact CB-O 3.24Å
1794	V	28	Very low	27.9	Very low	85 Å²	85	121.8 Å²	121.8	52%	0.515	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.5	-25.7	-161.4	173.5	0	0	0	0	115.2	E1786 F1792	E1786-V1794 WeakPolarHBondContact OE2-CB 3.26Å; E1786-V1794 WeakPolarHBondContact OE2-CG2 3.49Å; F1792-V1794 VanDerWaalsContact C-N 3.28Å; F1792-V1794 HydrophobicContact CB-CG2 3.97Å; F1792-V1794 HydrophobicContact CD1-CG2 3.77Å; F1792-V1794 HydrophobicContact CG-CG2 4.29Å; F1792-V1794 PolarHBondContact O-N 3.38Å
1795	L	29.1	Very low	27.9	Very low	122 Å²	122	117.4 Å²	117.4	64%	0.639	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	1.5	176.1	-84.2	169.1	0	0	0	115.6	F1782 N1793	F1782-L1795 HydrophobicContact CB-CD1 3.76Å; F1782-L1795 HydrophobicContact CD1-CD1 3.87Å; F1782-L1795 HydrophobicContact CD2-CD1 4.18Å; F1782-L1795 HydrophobicContact CG-CD1 3.69Å; N1793-L1795 VanDerWaalsContact C-N 3.26Å; N1793-L1795 PolarHBondContact O-N 3.09Å
1796	T	25.6	Very low	27.9	Very low	82 Å²	82	117.8 Å²	117.8	50%	0.503	60%	0.603	S	S	.	*	S	Bend	trans	-141	94.9	-178.6	53.7	0	0	0	0	112.6	N1793	N1793-T1796 WeakPolarHBondContact CB-O 3.46Å; N1793-T1796 PolarHBondContact ND2-O 3.43Å; N1793-T1796 PolarHBondContact O-N 3.5Å
1797	T	25.3	Very low	28	Very low	101 Å²	101	119.7 Å²	119.7	62%	0.62	61%	0.608	S	S	*	*	S	Bend	trans	72	123.7	175.7	72.6	0	0	0	0	116.7	N1793	N1793-T1797 WeakPolarHBondContact CB-O 3.24Å
1798	W	25.8	Very low	28.4	Very low	172 Å²	172	120.6 Å²	120.6	65%	0.652	60%	0.6	S	S	*	*	S	Bend	trans	71.2	67.3	162.4	-65.6	40.4	0	0	0	118
1799	I	30	Very low	28.9	Very low	131 Å²	131	111.9 Å²	111.9	67%	0.672	57%	0.568	S	S	*	*	S	Bend	trans	-154.6	157.8	134.7	-98.1	144.5	0	0	0	107	F1792 L1801	F1792-I1799 HydrophobicContact CE1-CD1 4.36Å; I1799-L1801 PolarHBondContact O-N 2.86Å
1800	S	27.9	Very low	29.4	Very low	89 Å²	89	108.4 Å²	108.4	62%	0.622	55%	0.553	S	S	*	*			trans	-65.4	128.2	-176.8	52	0	0	0	0	112.2
1801	L	26.7	Very low	29.9	Very low	129 Å²	129	104.9 Å²	104.9	68%	0.675	53%	0.534	S	S	*	.			trans	-43.6	134.6	163.4	-85.2	157.7	0	0	0	110.6	I1799 K1803	I1799-L1801 PolarHBondContact O-N 2.86Å; L1801-K1803 PolarHBondContact O-N 3.42Å; L1801-K1803 VanDerWaalsContact O-N 3.08Å
1802	P	28.3	Very low	30.2	Very low	68 Å²	68	101.6 Å²	101.6	44%	0.442	52%	0.516	S	S	.	.			trans	-53.7	118.6	168.8	-23.2	33.4	0	0	0	108.5	L1804 I1819 N1821	P1802-L1804 PolarHBondContact O-N 2.91Å; P1802-I1819 HydrophobicContact CB-CG2 3.59Å; P1802-N1821 WeakPolarHBondContact CB-OD1 3.39Å
1803	K	27	Very low	30.4	Very low	125 Å²	125	103.5 Å²	103.5	54%	0.543	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	103.1	-173.2	-78.5	-172.2	177.4	177	0	109.1	L1801 F1805 I1818 Q1820	L1801-K1803 PolarHBondContact O-N 3.42Å; L1801-K1803 VanDerWaalsContact O-N 3.08Å; K1803-F1805 VanDerWaalsContact C-N 3.32Å; K1803-F1805 HydrophobicContact CB-CD2 3.87Å; K1803-F1805 HydrophobicContact CB-CE2 3.43Å; K1803-F1805 VanDerWaalsContact CB-CE2 3.43Å; K1803-F1805 HydrophobicContact CB-CZ 3.94Å; K1803-F1805 HydrophobicContact CD-CE2 4.09Å; K1803-F1805 HydrophobicContact CD-CZ 3.83Å; K1803-F1805 HydrophobicContact CG-CE2 4.4Å; K1803-F1805 VanDerWaalsContact O-CD2 3.26Å; K1803-F1805 WeakPolarHBondContact O-CD2 3.49Å; K1803-F1805 PolarHBondContact O-N 3.46Å; K1803-I1818 VanDerWaalsContact O-O 3.1Å; K1803-Q1820 PolarHBondContact N-O 3.27Å; K1803-Q1820 PolarHBondContact O-N 2.69Å
1804	L	28.9	Very low	30.6	Very low	112 Å²	112	103.3 Å²	103.3	59%	0.586	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	79.8	-178.7	-139.5	174.8	0	0	0	108.9	P1802 M1806 T1817 I1819	P1802-L1804 PolarHBondContact O-N 2.91Å; L1804-M1806 PolarHBondContact O-N 2.85Å; L1804-M1806 VanDerWaalsContact O-N 3.1Å; L1804-T1817 HydrophobicContact CD2-CG2 3.62Å; L1804-I1819 HydrophobicContact CG-CG1 4.45Å
1805	F	32.8	Very low	30.9	Very low	73 Å²	73	103.9 Å²	103.9	32%	0.32	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	98.5	179.8	-70.6	-78	0	0	0	110.1	K1803 Y1807 I1818 Q1820	K1803-F1805 VanDerWaalsContact C-N 3.32Å; K1803-F1805 HydrophobicContact CB-CD2 3.87Å; K1803-F1805 HydrophobicContact CB-CE2 3.43Å; K1803-F1805 VanDerWaalsContact CB-CE2 3.43Å; K1803-F1805 HydrophobicContact CB-CZ 3.94Å; K1803-F1805 HydrophobicContact CD-CE2 4.09Å; K1803-F1805 HydrophobicContact CD-CZ 3.83Å; K1803-F1805 HydrophobicContact CG-CE2 4.4Å; K1803-F1805 VanDerWaalsContact O-CD2 3.26Å; K1803-F1805 WeakPolarHBondContact O-CD2 3.49Å; K1803-F1805 PolarHBondContact O-N 3.46Å; F1805-Y1807 HydrophobicContact CB-CD2 4.01Å; F1805-Y1807 HydrophobicContact CB-CE2 3.69Å; F1805-Y1807 HydrophobicContact CG-CE2 4.36Å; F1805-Y1807 PolarHBondContact O-N 3.49Å; F1805-I1818 HydrophobicContact CB-CB 4.37Å; F1805-I1818 PolarHBondContact N-O 3.09Å; F1805-I1818 PolarHBondContact O-N 2.91Å; F1805-Q1820 HydrophobicContact CD2-CB 4.14Å; F1805-Q1820 HydrophobicContact CE2-CB 3.96Å
1806	M	30.9	Very low	30.9	Very low	107 Å²	107	101.8 Å²	101.8	53%	0.527	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	97.4	166.3	-71.8	-163.7	-62.7	0	0	110.2	L1804 F1815 T1817	L1804-M1806 PolarHBondContact O-N 2.85Å; L1804-M1806 VanDerWaalsContact O-N 3.1Å; M1806-F1815 HydrophobicContact CB-CD1 4.44Å; M1806-T1817 HydrophobicContact CG-CG2 3.84Å
1807	Y	34.7	Very low	31.1	Very low	137 Å²	137	101.8 Å²	101.8	54%	0.537	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	121.4	165.8	-77	-91.4	0	0	0	109.3	F1805 F1815 I1816 I1818	F1805-Y1807 HydrophobicContact CB-CD2 4.01Å; F1805-Y1807 HydrophobicContact CB-CE2 3.69Å; F1805-Y1807 HydrophobicContact CG-CE2 4.36Å; F1805-Y1807 PolarHBondContact O-N 3.49Å; Y1807-F1815 WeakPolarHBondContact O-CA 3.16Å; Y1807-I1816 PolarHBondContact N-O 3.36Å; Y1807-I1816 PolarHBondContact O-N 3.17Å; Y1807-I1818 HydrophobicContact CD2-CD1 3.85Å; Y1807-I1818 HydrophobicContact CD2-CG1 4.25Å; Y1807-I1818 HydrophobicContact CE2-CD1 3.93Å
1808	Y	36.1	Very low	31.3	Very low	111 Å²	111	99.7 Å²	99.7	44%	0.435	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	112.9	169.9	-177.8	-103.2	0	0	0	109.2	V1810 F1815	Y1808-V1810 HydrophobicContact CD1-CG2 3.95Å; Y1808-V1810 HydrophobicContact CE1-CG2 4.32Å; Y1808-V1810 PolarHBondContact O-N 2.66Å; Y1808-V1810 VanDerWaalsContact O-N 3.11Å; Y1808-F1815 AromaticContact CD2-CD1 4Å; Y1808-F1815 HydrophobicContact CD2-CD1 4Å; Y1808-F1815 AromaticContact CD2-CD2 3.87Å; Y1808-F1815 HydrophobicContact CD2-CD2 3.87Å; Y1808-F1815 AromaticContact CD2-CE1 3.67Å; Y1808-F1815 HydrophobicContact CD2-CE1 3.67Å; Y1808-F1815 AromaticContact CD2-CE2 3.53Å; Y1808-F1815 HydrophobicContact CD2-CE2 3.53Å; Y1808-F1815 HydrophobicContact CD2-CG 4.1Å; Y1808-F1815 AromaticContact CD2-CZ 3.43Å; Y1808-F1815 HydrophobicContact CD2-CZ 3.43Å; Y1808-F1815 VanDerWaalsContact CD2-CZ 3.43Å; Y1808-F1815 HydrophobicContact CE2-CD2 4.21Å; Y1808-F1815 AromaticContact CE2-CE2 3.71Å; Y1808-F1815 HydrophobicContact CE2-CE2 3.71Å; Y1808-F1815 AromaticContact CE2-CZ 3.94Å; Y1808-F1815 HydrophobicContact CE2-CZ 3.94Å; Y1808-F1815 HydrophobicContact CG-CE1 4.28Å; Y1808-F1815 HydrophobicContact CG-CZ 4.33Å
1809	D	37.1	Very low	31.5	Very low	42 Å²	42	96.4 Å²	96.4	23%	0.225	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	99.9	171.3	-174.9	-4.5	0	0	0	109.6	N1811 N1812 E1813 Q1814	D1809-N1811 PolarHBondContact O-N 3.27Å; D1809-N1811 VanDerWaalsContact O-N 3.14Å; D1809-N1811 PolarHBondContact OD1-N 3.4Å; D1809-N1812 HydrophobicContact CB-CB 4.41Å; D1809-N1812 PolarHBondContact O-N 2.96Å; D1809-N1812 WeakPolarHBondContact OD2-CB 3.48Å; D1809-N1812 PolarHBondContact OD2-ND2 3.13Å; D1809-E1813 PolarHBondContact O-N 3.18Å; D1809-Q1814 PolarHBondContact N-O 2.93Å
1810	V	38.7	Very low	31.5	Very low	69 Å²	69	93.1 Å²	93.1	42%	0.418	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.3	178.5	178.8	0	0	0	0	112.8	S1446 Y1808	S1446-V1810 VanDerWaalsContact O-CG1 3.25Å; S1446-V1810 WeakPolarHBondContact O-CG1 3.3Å; Y1808-V1810 HydrophobicContact CD1-CG2 3.95Å; Y1808-V1810 HydrophobicContact CE1-CG2 4.32Å; Y1808-V1810 PolarHBondContact O-N 2.66Å; Y1808-V1810 VanDerWaalsContact O-N 3.11Å
1811	N	36.9	Very low	31.5	Very low	85 Å²	85	94.2 Å²	94.2	46%	0.455	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-19.3	-176.7	-67.4	-51.2	0	0	0	113.7	T1443 S1444 D1809	T1443-N1811 PolarHBondContact O-ND2 3.28Å; S1444-N1811 PolarHBondContact O-ND2 2.9Å; S1444-N1811 PolarHBondContact O-OD1 3.39Å; D1809-N1811 PolarHBondContact O-N 3.27Å; D1809-N1811 VanDerWaalsContact O-N 3.14Å; D1809-N1811 PolarHBondContact OD1-N 3.4Å
1812	N	32.6	Very low	31.6	Very low	81 Å²	81	95.6 Å²	95.6	43%	0.433	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-2.1	-176.6	-72.3	-56.2	0	0	0	114.8	D1809 Q1814	D1809-N1812 HydrophobicContact CB-CB 4.41Å; D1809-N1812 PolarHBondContact O-N 2.96Å; D1809-N1812 WeakPolarHBondContact OD2-CB 3.48Å; D1809-N1812 PolarHBondContact OD2-ND2 3.13Å; N1812-Q1814 HydrophobicContact CB-CG 4.33Å; N1812-Q1814 PolarHBondContact O-N 3.25Å
1813	E	32.1	Very low	31.7	Very low	152 Å²	152	97.6 Å²	97.6	71%	0.71	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	20.4	-174.4	-56.2	-169.2	147.1	0	0	114.4	D1809	D1809-E1813 PolarHBondContact O-N 3.18Å
1814	Q	28.7	Very low	32	Very low	96 Å²	96	97.1 Å²	97.1	45%	0.449	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	144.2	-178.5	-66.6	-174.7	11.1	0	0	112.5	D1809 N1812	D1809-Q1814 PolarHBondContact N-O 2.93Å; N1812-Q1814 HydrophobicContact CB-CG 4.33Å; N1812-Q1814 PolarHBondContact O-N 3.25Å
1815	F	33	Very low	32.1	Very low	98 Å²	98	98.5 Å²	98.5	43%	0.43	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	114.6	168	-77	-89.3	0	0	0	109.8	M1806 Y1807 Y1808	M1806-F1815 HydrophobicContact CB-CD1 4.44Å; Y1807-F1815 WeakPolarHBondContact O-CA 3.16Å; Y1808-F1815 AromaticContact CD2-CD1 4Å; Y1808-F1815 HydrophobicContact CD2-CD1 4Å; Y1808-F1815 AromaticContact CD2-CD2 3.87Å; Y1808-F1815 HydrophobicContact CD2-CD2 3.87Å; Y1808-F1815 AromaticContact CD2-CE1 3.67Å; Y1808-F1815 HydrophobicContact CD2-CE1 3.67Å; Y1808-F1815 AromaticContact CD2-CE2 3.53Å; Y1808-F1815 HydrophobicContact CD2-CE2 3.53Å; Y1808-F1815 HydrophobicContact CD2-CG 4.1Å; Y1808-F1815 AromaticContact CD2-CZ 3.43Å; Y1808-F1815 HydrophobicContact CD2-CZ 3.43Å; Y1808-F1815 VanDerWaalsContact CD2-CZ 3.43Å; Y1808-F1815 HydrophobicContact CE2-CD2 4.21Å; Y1808-F1815 AromaticContact CE2-CE2 3.71Å; Y1808-F1815 HydrophobicContact CE2-CE2 3.71Å; Y1808-F1815 AromaticContact CE2-CZ 3.94Å; Y1808-F1815 HydrophobicContact CE2-CZ 3.94Å; Y1808-F1815 HydrophobicContact CG-CE1 4.28Å; Y1808-F1815 HydrophobicContact CG-CZ 4.33Å
1816	I	30.6	Very low	31.9	Very low	77 Å²	77	102.1 Å²	102.1	40%	0.395	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.6	171.5	-56.3	174.2	0	0	0	107.6	Y1807 I1818	Y1807-I1816 PolarHBondContact N-O 3.36Å; Y1807-I1816 PolarHBondContact O-N 3.17Å; I1816-I1818 HydrophobicContact CG2-CG1 4.08Å
1817	T	29.2	Very low	31.8	Very low	82 Å²	82	108 Å²	108	50%	0.503	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	109.2	175.4	40.1	0	0	0	0	110.6	L1804 M1806	L1804-T1817 HydrophobicContact CD2-CG2 3.62Å; M1806-T1817 HydrophobicContact CG-CG2 3.84Å
1818	I	29.2	Very low	31.5	Very low	57 Å²	57	108.9 Å²	108.9	29%	0.292	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.4	173.7	-56.1	-179.8	0	0	0	108.9	K1803 F1805 Y1807 I1816	K1803-I1818 VanDerWaalsContact O-O 3.1Å; F1805-I1818 HydrophobicContact CB-CB 4.37Å; F1805-I1818 PolarHBondContact N-O 3.09Å; F1805-I1818 PolarHBondContact O-N 2.91Å; Y1807-I1818 HydrophobicContact CD2-CD1 3.85Å; Y1807-I1818 HydrophobicContact CD2-CG1 4.25Å; Y1807-I1818 HydrophobicContact CE2-CD1 3.93Å; I1816-I1818 HydrophobicContact CG2-CG1 4.08Å
1819	I	30.2	Very low	31.1	Very low	104 Å²	104	114.5 Å²	114.5	53%	0.533	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.5	115.3	173.6	-60	176.5	0	0	0	107.8	P1802 L1804	P1802-I1819 HydrophobicContact CB-CG2 3.59Å; L1804-I1819 HydrophobicContact CG-CG1 4.45Å
1820	Q	30.4	Very low	30.6	Very low	62 Å²	62	119.8 Å²	119.8	29%	0.29	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.1	112.7	-179.9	-160.2	177.6	27.9	0	0	111.7	K1803 F1805 Y1822	K1803-Q1820 PolarHBondContact N-O 3.27Å; K1803-Q1820 PolarHBondContact O-N 2.69Å; F1805-Q1820 HydrophobicContact CD2-CB 4.14Å; F1805-Q1820 HydrophobicContact CE2-CB 3.96Å; Q1820-Y1822 VanDerWaalsContact CD-CE2 3.43Å; Q1820-Y1822 HydrophobicContact CG-CD2 4.23Å; Q1820-Y1822 HydrophobicContact CG-CE2 3.8Å; Q1820-Y1822 PolarHBondContact NE2-OH 3.41Å; Q1820-Y1822 PolarHBondContact OE1-OH 3.04Å
1821	N	27.9	Very low	30.1	Very low	111 Å²	111	125 Å²	125	59%	0.594	62%	0.617	S	S	*	*			trans	-98.9	124.6	172.1	-74.2	-14.1	0	0	0	109.9	P1802	P1802-N1821 WeakPolarHBondContact CB-OD1 3.39Å
1822	Y	29.1	Very low	29.6	Very low	158 Å²	158	128.1 Å²	128.1	62%	0.62	63%	0.634	S	S	*	*			trans	-103.2	114.2	176.9	-80.1	-88.7	0	0	0	110.7	Q1820 T1824	Q1820-Y1822 VanDerWaalsContact CD-CE2 3.43Å; Q1820-Y1822 HydrophobicContact CG-CD2 4.23Å; Q1820-Y1822 HydrophobicContact CG-CE2 3.8Å; Q1820-Y1822 PolarHBondContact NE2-OH 3.41Å; Q1820-Y1822 PolarHBondContact OE1-OH 3.04Å; Y1822-T1824 PolarHBondContact O-N 3.05Å
1823	P	30	Very low	29.3	Very low	110 Å²	110	129.6 Å²	129.6	71%	0.714	64%	0.641	S	S	*	*			trans	-76.8	117	171.6	30.5	-31.9	0	0	0	110.5	N1825	P1823-N1825 PolarHBondContact O-N 3.45Å; P1823-N1825 VanDerWaalsContact O-N 3.13Å
1824	T	33	Very low	29	Very low	116 Å²	116	126.5 Å²	126.5	71%	0.712	64%	0.636	S	S	*	*			trans	-86.3	73.5	176.8	55.2	0	0	0	0	111.4	T1203 Y1822 N1826	T1203-T1824 HydrophobicContact CG2-CG2 4.25Å; Y1822-T1824 PolarHBondContact O-N 3.05Å; T1824-N1826 PolarHBondContact O-N 2.91Å
1825	N	30.2	Very low	28.9	Very low	140 Å²	140	124.3 Å²	124.3	75%	0.749	63%	0.631	S	S	*	*			trans	-65.6	111.7	176.6	-86.3	-4.4	0	0	0	112	P1823	P1823-N1825 PolarHBondContact O-N 3.45Å; P1823-N1825 VanDerWaalsContact O-N 3.13Å
1826	N	28.8	Very low	28.5	Very low	150 Å²	150	124.9 Å²	124.9	80%	0.802	64%	0.637	S	S	*	*			trans	-168.3	39.3	146.1	-108.7	-30.1	0	0	0	114.4	T1824	T1824-N1826 PolarHBondContact O-N 2.91Å
1827	Y	30.7	Very low	28.3	Very low	231 Å²	231	128.9 Å²	128.9	91%	0.906	66%	0.655	S	S	*	*	S	Bend	trans	-150.9	125.9	157.2	-86.5	-71	0	0	0	109.8	Y1829	Y1827-Y1829 PolarHBondContact O-N 3.33Å
1828	N	26.7	Very low	28.1	Very low	154 Å²	154	130.7 Å²	130.7	82%	0.824	66%	0.66	S	S	*	*			trans	-71.9	114.1	-179.5	-61.8	2.6	0	0	0	111.1
1829	Y	28.4	Very low	27.9	Very low	229 Å²	229	133.1 Å²	133.1	90%	0.898	67%	0.673	S	S	*	*			trans	-145.5	127.4	148.4	-90.6	-80.7	0	0	0	107.9	Y1827	Y1827-Y1829 PolarHBondContact O-N 3.33Å
1830	N	26.1	Very low	27.6	Very low	153 Å²	153	133.1 Å²	133.1	82%	0.818	68%	0.678	S	S	*	*			trans	-86.8	126.7	175	-56.5	-5.9	0	0	0	108.3
1831	E	28.4	Very low	27.3	Very low	179 Å²	179	136 Å²	136	84%	0.836	69%	0.694	S	S	*	*			trans	-172.3	139.1	156.4	-107.7	156.3	-148.7	0	0	108.4
1832	D	26.4	Very low	27.3	Very low	150 Å²	150	138.7 Å²	138.7	80%	0.802	70%	0.696	S	S	*	*			trans	-84.6	137.4	-162.8	-61	-75.5	0	0	0	114.4
1833	I	26.7	Very low	27.2	Very low	113 Å²	113	133 Å²	133	58%	0.579	68%	0.676	S	S	*	*			trans	-133.5	82.8	171	-53.4	-178.9	0	0	0	108.8	F1792	F1792-I1833 HydrophobicContact CD2-CD1 4.17Å; F1792-I1833 HydrophobicContact CE1-CD1 4.01Å; F1792-I1833 HydrophobicContact CE2-CD1 3.5Å; F1792-I1833 VanDerWaalsContact CE2-CD1 3.5Å; F1792-I1833 HydrophobicContact CZ-CD1 3.4Å; F1792-I1833 VanDerWaalsContact CZ-CD1 3.4Å
1834	S	24.8	Very low	27.1	Very low	87 Å²	87	130 Å²	130	61%	0.608	65%	0.654	S	S	*	*			trans	-136.6	29	-164.7	50.9	0	0	0	0	114.8
1835	S	26.7	Very low	26.9	Very low	50 Å²	50	129.5 Å²	129.5	35%	0.35	65%	0.647	S	S	.	*			trans	-142.3	16.7	-177	55.4	0	0	0	0	117.9	Q1734	Q1734-S1835 PolarHBondContact OE1-OG 2.86Å
1836	I	26	Very low	26.9	Very low	109 Å²	109	129.5 Å²	129.5	56%	0.559	64%	0.64	S	S	*	*			trans	-115.2	65.1	173.6	-47	-177.3	0	0	0	111	L1838	I1836-L1838 PolarHBondContact O-N 2.97Å
1837	E	25.5	Very low	27	Very low	162 Å²	162	124.9 Å²	124.9	76%	0.757	62%	0.619	S	S	*	*			trans	-78.7	94.2	159.5	-69.7	-152.8	130.9	0	0	109.3	I1839	E1837-I1839 HydrophobicContact CB-CD1 4.21Å; E1837-I1839 HydrophobicContact CB-CG1 3.96Å; E1837-I1839 PolarHBondContact O-N 3.05Å
1838	L	25.4	Very low	27	Very low	119 Å²	119	118.5 Å²	118.5	62%	0.623	60%	0.6	S	S	*	*			trans	-80.2	73.4	177.9	-150.9	159.4	0	0	0	109.6	I1836 T1840	I1836-L1838 PolarHBondContact O-N 2.97Å; L1838-T1840 HydrophobicContact CD2-CG2 3.69Å; L1838-T1840 PolarHBondContact O-N 2.65Å
1839	I	25.6	Very low	27.2	Very low	109 Å²	109	116.9 Å²	116.9	56%	0.559	60%	0.596	S	S	*	*			trans	-71.3	71.5	-176.3	-55.8	176.9	0	0	0	110.8	E1837 I1841	E1837-I1839 HydrophobicContact CB-CD1 4.21Å; E1837-I1839 HydrophobicContact CB-CG1 3.96Å; E1837-I1839 PolarHBondContact O-N 3.05Å; I1839-I1841 VanDerWaalsContact C-N 3.28Å; I1839-I1841 HydrophobicContact CG2-CD1 3.64Å; I1839-I1841 HydrophobicContact CG2-CG1 3.68Å; I1839-I1841 PolarHBondContact O-N 2.82Å
1840	T	23.7	Very low	27.4	Very low	104 Å²	104	112 Å²	112	64%	0.638	59%	0.585	S	S	*	*			trans	-78.4	78.3	163.7	42.4	0	0	0	0	110.3	L1838 W1842	L1838-T1840 HydrophobicContact CD2-CG2 3.69Å; L1838-T1840 PolarHBondContact O-N 2.65Å; T1840-W1842 PolarHBondContact O-N 3.39Å
1841	I	24.4	Very low	27.6	Very low	123 Å²	123	113.5 Å²	113.5	63%	0.631	59%	0.585	S	S	*	*			trans	-66.8	87.8	162.3	-66.2	162.8	0	0	0	108	I1839 D1843	I1839-I1841 VanDerWaalsContact C-N 3.28Å; I1839-I1841 HydrophobicContact CG2-CD1 3.64Å; I1839-I1841 HydrophobicContact CG2-CG1 3.68Å; I1839-I1841 PolarHBondContact O-N 2.82Å; I1841-D1843 PolarHBondContact O-N 3.17Å
1842	W	26.1	Very low	27.8	Very low	167 Å²	167	109.6 Å²	109.6	63%	0.633	57%	0.569	S	S	*	*			trans	-75.2	96.4	162.1	-102.7	29.2	0	0	0	108	T1840 L1844	T1840-W1842 PolarHBondContact O-N 3.39Å; W1842-L1844 HydrophobicContact CB-CG 4.36Å; W1842-L1844 HydrophobicContact CE3-CD2 4.22Å; W1842-L1844 HydrophobicContact CE3-CG 4.44Å; W1842-L1844 PolarHBondContact O-N 2.78Å
1843	D	26.9	Very low	28	Very low	38 Å²	38	106.8 Å²	106.8	20%	0.203	55%	0.554	C	S	.	*			trans	-62.9	64.3	169.1	-172.9	-2.6	0	0	0	110.5	K1689 I1841 N1845 K1846	K1689-D1843 IonicContact NZ-OD2 3.35Å; I1841-D1843 PolarHBondContact O-N 3.17Å; D1843-N1845 PolarHBondContact O-N 3.42Å; D1843-K1846 PolarHBondContact O-N 3.22Å; D1843-K1846 VanDerWaalsContact O-N 3.11Å; D1843-K1846 IonicContact OD1-NZ 2.69Å; D1843-K1846 IonicContact OD2-NZ 3.28Å; D1843-K1846 PolarHBondContact OD2-NZ 3.43Å
1844	L	28.4	Very low	28.2	Very low	47 Å²	47	106.2 Å²	106.2	25%	0.246	55%	0.55	C	S	.	.	G	3₁₀ helix	trans	-59.5	-30.1	-178.8	-85.3	163.7	0	0	0	111.2	W1842 K1846 S1847 I1848	W1842-L1844 HydrophobicContact CB-CG 4.36Å; W1842-L1844 HydrophobicContact CE3-CD2 4.22Å; W1842-L1844 HydrophobicContact CE3-CG 4.44Å; W1842-L1844 PolarHBondContact O-N 2.78Å; L1844-K1846 PolarHBondContact O-N 3.49Å; L1844-S1847 PolarHBondContact O-N 2.78Å; L1844-I1848 HydrophobicContact CB-CD1 4.03Å; L1844-I1848 HydrophobicContact CB-CG1 4.31Å; L1844-I1848 WeakPolarHBondContact O-CB 3.49Å; L1844-I1848 WeakPolarHBondContact O-CD1 3.4Å; L1844-I1848 VanDerWaalsContact O-CG1 3.23Å; L1844-I1848 WeakPolarHBondContact O-CG1 3.35Å; L1844-I1848 PolarHBondContact O-N 2.92Å
1845	N	28.5	Very low	28.9	Very low	105 Å²	105	110.1 Å²	110.1	56%	0.561	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-55.6	-19.6	175.3	-66.9	-14.9	0	0	0	113.3	D1843	D1843-N1845 PolarHBondContact O-N 3.42Å
1846	K	30.3	Very low	29.5	Very low	141 Å²	141	111 Å²	111	61%	0.613	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-103.6	-11.1	171.8	-68.5	-175	-169.8	108.8	0	115.4	D1843 L1844	D1843-K1846 PolarHBondContact O-N 3.22Å; D1843-K1846 VanDerWaalsContact O-N 3.11Å; D1843-K1846 IonicContact OD1-NZ 2.69Å; D1843-K1846 IonicContact OD2-NZ 3.28Å; D1843-K1846 PolarHBondContact OD2-NZ 3.43Å; L1844-K1846 PolarHBondContact O-N 3.49Å
1847	S	30.3	Very low	29.8	Very low	52 Å²	52	109.6 Å²	109.6	36%	0.364	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-13.7	-178	63.7	0	0	0	0	115.4	L1844 T1849 N1850	L1844-S1847 PolarHBondContact O-N 2.78Å; S1847-T1849 PolarHBondContact O-N 2.77Å; S1847-N1850 PolarHBondContact O-N 3.34Å
1848	I	31.4	Very low	30.1	Very low	97 Å²	97	107.3 Å²	107.3	50%	0.497	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.4	176	-78.3	163.3	0	0	0	112.9	L1844 N1850	L1844-I1848 HydrophobicContact CB-CD1 4.03Å; L1844-I1848 HydrophobicContact CB-CG1 4.31Å; L1844-I1848 WeakPolarHBondContact O-CB 3.49Å; L1844-I1848 WeakPolarHBondContact O-CD1 3.4Å; L1844-I1848 VanDerWaalsContact O-CG1 3.23Å; L1844-I1848 WeakPolarHBondContact O-CG1 3.35Å; L1844-I1848 PolarHBondContact O-N 2.92Å; I1848-N1850 PolarHBondContact O-N 2.8Å
1849	T	32.1	Very low	30.4	Very low	121 Å²	121	102 Å²	102	74%	0.742	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.3	170.8	47.9	0	0	0	0	114	S1847	S1847-T1849 PolarHBondContact O-N 2.77Å
1850	N	31.3	Very low	30.7	Very low	126 Å²	126	102.8 Å²	102.8	67%	0.674	51%	0.51	S	S	*	.	S	Bend	trans	-105.8	109.3	172.9	-75.6	-42.4	0	0	0	110.6	S1847 I1848 I1852	S1847-N1850 PolarHBondContact O-N 3.34Å; I1848-N1850 PolarHBondContact O-N 2.8Å; N1850-I1852 PolarHBondContact O-N 2.93Å
1851	K	30	Very low	31.1	Very low	185 Å²	185	102.3 Å²	102.3	80%	0.804	50%	0.502	S	S	*	.			trans	-53.5	98.6	-179.1	-70.1	176.7	178.4	172	0	112.6	N1853	K1851-N1853 PolarHBondContact O-N 3.21Å
1852	I	33.3	Very low	31.4	Very low	97 Å²	97	101.5 Å²	101.5	50%	0.497	50%	0.498	S	S	.	.			trans	-68.9	122.6	162.7	-59.4	178.4	0	0	0	107.2	N1850	N1850-I1852 PolarHBondContact O-N 2.93Å
1853	N	31.3	Very low	31.9	Very low	91 Å²	91	95.9 Å²	95.9	49%	0.487	48%	0.478	S	S	.	.			trans	-75	133	-174.1	-172	-28.8	0	0	0	110.3	K1851 K1855 Q1856	K1851-N1853 PolarHBondContact O-N 3.21Å; N1853-K1855 PolarHBondContact O-N 3.26Å; N1853-K1855 PolarHBondContact OD1-N 3.1Å; N1853-Q1856 HydrophobicContact CB-CG 4.36Å; N1853-Q1856 WeakPolarHBondContact O-CB 3.47Å; N1853-Q1856 PolarHBondContact O-N 3.5Å
1854	M	30.3	Very low	31.9	Very low	101 Å²	101	98 Å²	98	50%	0.498	49%	0.49	S	S	.	.	H	α-helix	trans	-47.9	-36.7	179.9	-115.3	-65.2	-158.6	0	0	113.6	Q1856 L1857 L1858 I1874	M1854-Q1856 PolarHBondContact O-N 3.05Å; M1854-Q1856 VanDerWaalsContact O-N 3.12Å; M1854-L1857 PolarHBondContact O-N 2.95Å; M1854-L1857 VanDerWaalsContact O-N 3.11Å; M1854-L1858 PolarHBondContact O-N 3.44Å; M1854-L1858 VanDerWaalsContact O-N 3.14Å; M1854-L1858 HydrophobicContact SD-CD1 4.33Å; M1854-I1874 HydrophobicContact CE-CD1 3.46Å; M1854-I1874 VanDerWaalsContact CE-CD1 3.46Å
1855	K	39.5	Very low	31.8	Very low	169 Å²	169	99.6 Å²	99.6	74%	0.735	50%	0.496	S	S	*	.	H	α-helix	trans	-58.3	-23.1	175.4	-72.7	-172.9	173.4	-175.7	0	114.3	N1853	N1853-K1855 PolarHBondContact O-N 3.26Å; N1853-K1855 PolarHBondContact OD1-N 3.1Å
1856	Q	38.6	Very low	31.6	Very low	69 Å²	69	99 Å²	99	32%	0.322	50%	0.499	S	S	.	.	H	α-helix	trans	-95.2	-17	-178.3	-50.1	-167	-63.3	0	0	112	N1853 M1854 S1859	N1853-Q1856 HydrophobicContact CB-CG 4.36Å; N1853-Q1856 WeakPolarHBondContact O-CB 3.47Å; N1853-Q1856 PolarHBondContact O-N 3.5Å; M1854-Q1856 PolarHBondContact O-N 3.05Å; M1854-Q1856 VanDerWaalsContact O-N 3.12Å; Q1856-S1859 PolarHBondContact O-OG 3.1Å
1857	L	32.2	Very low	31.4	Very low	78 Å²	78	98 Å²	98	41%	0.408	51%	0.505	S	S	.	.	H	α-helix	trans	-83.1	-38.2	171.9	-152.4	83	0	0	0	111.3	M1854 S1859 Y1860	M1854-L1857 PolarHBondContact O-N 2.95Å; M1854-L1857 VanDerWaalsContact O-N 3.11Å; L1857-S1859 PolarHBondContact O-N 3.22Å; L1857-Y1860 PolarHBondContact O-N 3.08Å
1858	L	32.8	Very low	31.1	Very low	114 Å²	114	101.2 Å²	101.2	60%	0.597	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-55.2	-26.3	-173.5	-136.2	77.2	0	0	0	114.8	M1854	M1854-L1858 PolarHBondContact O-N 3.44Å; M1854-L1858 VanDerWaalsContact O-N 3.14Å; M1854-L1858 HydrophobicContact SD-CD1 4.33Å
1859	S	31.6	Very low	30.9	Very low	8 Å²	8	102.1 Å²	102.1	6%	0.056	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-52.3	-48	172.5	-7.8	0	0	0	0	113.6	R1773 E1775 Q1856 L1857 I1861	R1773-S1859 VanDerWaalsContact CZ-CB 3.44Å; R1773-S1859 VanDerWaalsContact NE-CB 3.29Å; R1773-S1859 PolarHBondContact NE-OG 3.45Å; R1773-S1859 PolarHBondContact NH2-OG 3.32Å; E1775-S1859 WeakPolarHBondContact OE1-CB 3.29Å; Q1856-S1859 PolarHBondContact O-OG 3.1Å; L1857-S1859 PolarHBondContact O-N 3.22Å; S1859-I1861 PolarHBondContact O-N 2.91Å; S1859-I1861 VanDerWaalsContact O-N 3.12Å
1860	Y	31.6	Very low	30.6	Very low	126 Å²	126	100.7 Å²	100.7	49%	0.494	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-85.4	17.4	-169	-59.9	-83.2	0	0	0	112.8	K1772 R1773 I1774 L1857	K1772-Y1860 PolarHBondContact O-OH 3.38Å; R1773-Y1860 WeakPolarHBondContact CA-OH 3.47Å; I1774-Y1860 PolarHBondContact N-OH 2.85Å; L1857-Y1860 PolarHBondContact O-N 3.08Å
1861	I	32.1	Very low	30.3	Very low	94 Å²	94	98.1 Å²	98.1	48%	0.482	50%	0.497	S	S	.	.			trans	-119.8	65	-174.6	-47.1	179.8	0	0	0	108.6	S1859	S1859-I1861 PolarHBondContact O-N 2.91Å; S1859-I1861 VanDerWaalsContact O-N 3.12Å
1862	I	32	Very low	30.1	Very low	106 Å²	106	94 Å²	94	54%	0.544	48%	0.483	S	S	.	.			trans	-113.8	142.2	-179.4	-62.5	174.5	0	0	0	110.1
1863	H	34.6	Very low	29.7	Very low	48 Å²	48	96.6 Å²	96.6	22%	0.222	49%	0.491	C	S	.	.				-168.6	84.4	-70.7	175.2	-40	0	0	0	107.2	T1207	T1207-H1863 WeakPolarHBondContact CA-O 3.3Å; T1207-H1863 PolarHBondContact N-O 3.47Å
1864	D	27.3	Very low	29.4	Very low	82 Å²	82	96.3 Å²	96.3	44%	0.439	49%	0.489	S	S	.	.			trans	-117.7	116.4	-170.8	-67.6	-11.4	0	0	0	112.2	A1205 T1206 T1207 C1866	A1205-D1864 WeakPolarHBondContact CA-OD2 3.25Å; T1206-D1864 VanDerWaalsContact CA-OD1 3.26Å; T1206-D1864 WeakPolarHBondContact CA-OD1 3.4Å; T1206-D1864 PolarHBondContact N-OD1 3.32Å; T1206-D1864 PolarHBondContact N-OD2 2.84Å; T1207-D1864 PolarHBondContact N-OD1 2.9Å; D1864-C1866 PolarHBondContact O-N 3.16Å
1865	H	26.2	Very low	29.1	Very low	82 Å²	82	95.7 Å²	95.7	38%	0.38	49%	0.494	S	S	.	.	S	Bend	trans	41.9	59.8	164.5	-54.3	-39.6	0	0	0	118.7	A1205 T1206	A1205-H1865 PolarHBondContact O-CD2 3.26Å; A1205-H1865 PolarHBondContact O-NE2 3.48Å; T1206-H1865 PolarHBondContact O-CE1 3.32Å; T1206-H1865 PolarHBondContact O-NE2 2.92Å
1866	C	25.9	Very low	28.5	Very low	92 Å²	92	92.6 Å²	92.6	62%	0.622	49%	0.485	S	S	*	.	S	Bend	trans	-143.8	153	147.7	-114.5	0	0	0	0	110.7	D1864 M1868	D1864-C1866 PolarHBondContact O-N 3.16Å; C1866-M1868 PolarHBondContact O-N 3.38Å
1867	T	24.8	Very low	28	Very low	120 Å²	120	93.4 Å²	93.4	74%	0.736	49%	0.487	S	S	*	.			trans	-71.8	125.4	-179	42.2	0	0	0	0	111.1	I1869	T1867-I1869 PolarHBondContact O-N 3.31Å
1868	M	25	Very low	27.7	Very low	119 Å²	119	92 Å²	92	59%	0.586	48%	0.48	S	S	*	.			trans	-70.1	72.3	176.3	-94.1	-80.3	-173.7	0	0	111.9	C1866 I1870	C1866-M1868 PolarHBondContact O-N 3.38Å; M1868-I1870 HydrophobicContact CE-CD1 4.35Å; M1868-I1870 PolarHBondContact O-N 3.48Å; M1868-I1870 HydrophobicContact SD-CD1 3.54Å; M1868-I1870 VanDerWaalsContact SD-CD1 3.54Å; M1868-I1870 HydrophobicContact SD-CG1 4.02Å
1869	I	25.7	Very low	27.5	Very low	116 Å²	116	92.3 Å²	92.3	60%	0.595	48%	0.481	S	S	*	.			trans	-95.1	83.5	168.5	-56	179.4	0	0	0	108.1	S1451 T1867	S1451-I1869 PolarHBondContact OG-O 3.07Å; T1867-I1869 PolarHBondContact O-N 3.31Å
1870	I	26.8	Very low	27.3	Very low	92 Å²	92	98.9 Å²	98.9	47%	0.472	52%	0.516	S	S	.	.			trans	-133.5	86.1	178.4	-47.4	-175.2	0	0	0	110.6	A1450 M1868 L1872	A1450-I1870 HydrophobicContact CB-CB 4.49Å; A1450-I1870 HydrophobicContact CB-CG2 3.64Å; M1868-I1870 HydrophobicContact CE-CD1 4.35Å; M1868-I1870 PolarHBondContact O-N 3.48Å; M1868-I1870 HydrophobicContact SD-CD1 3.54Å; M1868-I1870 VanDerWaalsContact SD-CD1 3.54Å; M1868-I1870 HydrophobicContact SD-CG1 4.02Å; I1870-L1872 HydrophobicContact CG2-CB 3.78Å; I1870-L1872 HydrophobicContact CG2-CD1 3.71Å; I1870-L1872 HydrophobicContact CG2-CG 3.55Å; I1870-L1872 PolarHBondContact O-N 3.08Å
1871	P	24.3	Very low	27.2	Very low	71 Å²	71	97.2 Å²	97.2	46%	0.461	51%	0.512	S	S	.	.			trans	-75.9	61.3	168	32.2	-33.8	0	0	0	110.8	S1449 A1450 S1451 K1873	S1449-P1871 CarbonylContact C-O 3.58Å; S1449-P1871 WeakPolarHBondContact CB-O 3.41Å; S1449-P1871 PolarHBondContact OG-O 3.07Å; A1450-P1871 HydrophobicContact CB-CG 4.18Å; A1450-P1871 PolarHBondContact N-O 3.24Å; S1451-P1871 WeakPolarHBondContact OG-CD 3.5Å; P1871-K1873 PolarHBondContact O-N 3.04Å; P1871-K1873 VanDerWaalsContact O-N 3.1Å
1872	L	25.9	Very low	27	Very low	99 Å²	99	100.1 Å²	100.1	52%	0.518	53%	0.527	S	S	.	.			trans	-70.9	103.3	-179.1	-110.6	176.2	0	0	0	110.1	A1450 I1870 I1874	A1450-L1872 HydrophobicContact CB-CG 4.14Å; I1870-L1872 HydrophobicContact CG2-CB 3.78Å; I1870-L1872 HydrophobicContact CG2-CD1 3.71Å; I1870-L1872 HydrophobicContact CG2-CG 3.55Å; I1870-L1872 PolarHBondContact O-N 3.08Å; L1872-I1874 HydrophobicContact CB-CG1 4.46Å; L1872-I1874 HydrophobicContact CD2-CG1 4.33Å; L1872-I1874 PolarHBondContact O-N 3.34Å
1873	K	26.1	Very low	26.7	Very low	151 Å²	151	100.1 Å²	100.1	66%	0.657	54%	0.537	S	S	*	.			trans	-69.7	71.8	153.3	-78.9	176.8	175.5	176.7	0	108.7	S1449 P1871 S1875	S1449-K1873 VanDerWaalsContact OG-CB 3.23Å; S1449-K1873 WeakPolarHBondContact OG-CB 3.26Å; S1449-K1873 VanDerWaalsContact OG-CG 3.25Å; S1449-K1873 WeakPolarHBondContact OG-CG 3.39Å; S1449-K1873 PolarHBondContact OG-N 2.78Å; P1871-K1873 PolarHBondContact O-N 3.04Å; P1871-K1873 VanDerWaalsContact O-N 3.1Å; K1873-S1875 PolarHBondContact O-N 2.96Å
1874	I	24.9	Very low	26.1	Very low	85 Å²	85	106.4 Å²	106.4	44%	0.436	57%	0.568	S	S	.	*			trans	-60.9	122.6	136.5	-59.9	168.1	0	0	0	104.2	M1854 L1872 I1876	M1854-I1874 HydrophobicContact CE-CD1 3.46Å; M1854-I1874 VanDerWaalsContact CE-CD1 3.46Å; L1872-I1874 HydrophobicContact CB-CG1 4.46Å; L1872-I1874 HydrophobicContact CD2-CG1 4.33Å; L1872-I1874 PolarHBondContact O-N 3.34Å; I1874-I1876 HydrophobicContact CB-CG1 4.24Å; I1874-I1876 HydrophobicContact CG2-CD1 4.36Å; I1874-I1876 HydrophobicContact CG2-CG1 3.73Å; I1874-I1876 PolarHBondContact O-N 2.77Å
1875	S	24.3	Very low	25.9	Very low	89 Å²	89	110.5 Å²	110.5	62%	0.622	59%	0.588	S	S	*	*			trans	-77.5	62.5	-174.9	54.5	0	0	0	0	111.7	K1873 K1877	K1873-S1875 PolarHBondContact O-N 2.96Å; S1875-K1877 PolarHBondContact O-N 3.48Å
1876	I	26.6	Very low	25.8	Very low	104 Å²	104	114.9 Å²	114.9	53%	0.533	61%	0.606	S	S	.	*			trans	-69.4	83.6	173	-47.7	179.9	0	0	0	108.5	I1874 N1878 I1879	I1874-I1876 HydrophobicContact CB-CG1 4.24Å; I1874-I1876 HydrophobicContact CG2-CD1 4.36Å; I1874-I1876 HydrophobicContact CG2-CG1 3.73Å; I1874-I1876 PolarHBondContact O-N 2.77Å; I1876-N1878 PolarHBondContact O-N 3.49Å; I1876-I1879 HydrophobicContact CG2-CD1 4Å; I1876-I1879 HydrophobicContact CG2-CG1 4.02Å
1877	K	27.4	Very low	25.8	Very low	86 Å²	86	116.2 Å²	116.2	37%	0.374	61%	0.614	S	S	.	*			trans	-60.8	131.8	164.4	-51.9	147.1	171.2	-173.7	0	106.7	Q440 Q444 S1875	Q440-K1877 HydrophobicContact CG-CB 3.83Å; Q440-K1877 HydrophobicContact CG-CD 4.04Å; Q440-K1877 PolarHBondContact NE2-O 2.95Å; Q444-K1877 VanDerWaalsContact OE1-CE 3.32Å; S1875-K1877 PolarHBondContact O-N 3.48Å
1878	N	26.9	Very low	25.8	Very low	48 Å²	48	116.3 Å²	116.3	26%	0.257	61%	0.609	S	S	.	*			trans	73.5	106.3	178.1	-57.7	-28.5	0	0	0	117.9	F437 R443 I1876	F437-N1878 HydrophobicContact CE1-CB 4.49Å; R443-N1878 VanDerWaalsContact NH1-CB 3.27Å; R443-N1878 PolarHBondContact NH1-ND2 3.14Å; R443-N1878 PolarHBondContact NH1-OD1 2.89Å; I1876-N1878 PolarHBondContact O-N 3.49Å
1879	I	27.6	Very low	25.9	Very low	120 Å²	120	117.7 Å²	117.7	62%	0.615	62%	0.617	S	S	*	*			trans	-131.5	16.7	157.1	-54.9	-178.4	0	0	0	111.2	I1876 Q1881	I1876-I1879 HydrophobicContact CG2-CD1 4Å; I1876-I1879 HydrophobicContact CG2-CG1 4.02Å; I1879-Q1881 CarbonylContact O-C 3.59Å; I1879-Q1881 PolarHBondContact O-N 2.85Å; I1879-Q1881 VanDerWaalsContact O-O 3.13Å
1880	N	28.4	Very low	25.9	Very low	147 Å²	147	118.7 Å²	118.7	79%	0.786	62%	0.62	S	S	*	*			trans	-75.2	30.8	-177.7	-71.6	25.9	0	0	0	115.9
1881	Q	29	Very low	25.9	Very low	90 Å²	90	122 Å²	122	42%	0.421	63%	0.633	S	S	.	*			trans	-155.1	135.9	161.1	-72.3	175.6	8.9	0	0	102.3	F437 I1879	F437-Q1881 HydrophobicContact CD1-CB 4.11Å; F437-Q1881 HydrophobicContact CD2-CB 4.23Å; F437-Q1881 VanDerWaalsContact CD2-CD 3.49Å; F437-Q1881 HydrophobicContact CD2-CG 4.12Å; F437-Q1881 VanDerWaalsContact CD2-OE1 3.27Å; F437-Q1881 HydrophobicContact CE1-CB 3.57Å; F437-Q1881 HydrophobicContact CE1-CG 4.13Å; F437-Q1881 HydrophobicContact CE2-CB 3.73Å; F437-Q1881 HydrophobicContact CE2-CG 3.37Å; F437-Q1881 HydrophobicContact CG-CB 4.4Å; F437-Q1881 HydrophobicContact CZ-CB 3.34Å; F437-Q1881 HydrophobicContact CZ-CG 3.34Å; I1879-Q1881 CarbonylContact O-C 3.59Å; I1879-Q1881 PolarHBondContact O-N 2.85Å; I1879-Q1881 VanDerWaalsContact O-O 3.13Å
1882	I	28.4	Very low	26.2	Very low	155 Å²	155	125.5 Å²	125.5	80%	0.795	65%	0.648	S	S	*	*				-143	149.1	50.7	-78.4	170	0	0	0	109.5
1883	S	24.1	Very low	26.2	Very low	106 Å²	106	127.9 Å²	127.9	74%	0.741	66%	0.661	S	S	*	*			trans	-78.3	174.8	-178	46.1	0	0	0	0	113.9	I1885	S1883-I1885 PolarHBondContact O-N 3.3Å
1884	M	23.2	Very low	26.5	Very low	181 Å²	181	130.8 Å²	130.8	89%	0.892	67%	0.67	S	S	*	*			trans	-41.1	124.8	-179.9	-60.1	178.4	-74.5	0	0	115
1885	I	23.7	Very low	26.7	Very low	167 Å²	167	136.2 Å²	136.2	86%	0.856	69%	0.685	S	S	*	*			trans	-158.1	146.6	141.9	-99.6	146.6	0	0	0	107.9	S1883	S1883-I1885 PolarHBondContact O-N 3.3Å
1886	K	22.3	Very low	26.9	Very low	174 Å²	174	137.9 Å²	137.9	76%	0.757	69%	0.685	S	S	*	*			trans	-96.3	120.3	-171.8	-175.8	-175.4	-172.7	179.5	0	111
1887	P	26.6	Very low	27.4	Very low	120 Å²	120	140 Å²	140	78%	0.779	69%	0.688	S	S	*	*			trans	-92.1	125.5	158.7	3.4	16.7	0	0	0	109.7
1888	I	24.4	Very low	28.2	Very low	123 Å²	123	139.3 Å²	139.3	63%	0.631	69%	0.688	S	S	*	*			trans	-86.1	178.2	157.3	-64.7	163.3	0	0	0	106.6
1889	L	27.4	Very low	29.9	Very low	147 Å²	147	139 Å²	139	77%	0.77	68%	0.684	S	S	*	*			trans	87.1	105	-171.7	-50.9	162.5	0	0	0	110.7
1890	E	25.3	Very low	31.6	Very low	137 Å²	137	138.5 Å²	138.5	64%	0.64	68%	0.679	S	S	*	*				67.9	102.1	55.8	-57.3	-177.4	133.9	0	0	112.8
1891	E	27.1	Very low	33.7	Very low	163 Å²	163	132.4 Å²	132.4	76%	0.762	65%	0.645	S	S	*	*			trans	-174	97.1	139.2	-107.8	168.6	-163.6	0	0	109.9
1892	N	30.8	Very low	35.3	Very low	144 Å²	144	133.6 Å²	133.6	77%	0.77	65%	0.653	S	S	*	*	S	Bend	trans	164.8	71	149.7	-88.2	-25.4	0	0	0	110.2	Y1894	N1892-Y1894 PolarHBondContact O-N 3.11Å
1893	N	25.4	Very low	37	Very low	149 Å²	149	127.2 Å²	127.2	80%	0.797	62%	0.62	S	S	*	*			trans	29.3	84.2	151.8	-60.1	-18	0	0	0	118.1
1894	Y	31.9	Very low	39	Very low	211 Å²	211	127.3 Å²	127.3	83%	0.827	61%	0.612	S	S	*	*				-168.6	97.4	129.4	-95.1	-57.4	0	0	0	112.5	N1892	N1892-Y1894 PolarHBondContact O-N 3.11Å
1895	R	29.4	Very low	41	Very low	199 Å²	199	121.4 Å²	121.4	75%	0.751	60%	0.597	S	S	*	*			trans	48.5	109.6	158.9	-63.1	179.8	179.1	165.9	1	117.6	Y1897	R1895-Y1897 VanDerWaalsContact O-CD2 3.23Å; R1895-Y1897 WeakPolarHBondContact O-CD2 3.31Å; R1895-Y1897 PolarHBondContact O-N 3.33Å; R1895-Y1897 VanDerWaalsContact O-N 3.08Å
1896	I	28.1	Very low	43.4	Very low	124 Å²	124	119.6 Å²	119.6	64%	0.636	58%	0.583	S	S	*	*			trans	-53.3	115.3	145.9	-61	172.6	0	0	0	107.2	N1898	I1896-N1898 PolarHBondContact O-N 3.45Å
1897	Y	39.1	Very low	45.9	Very low	149 Å²	149	113.5 Å²	113.5	58%	0.584	56%	0.558	S	S	*	*			trans	-77.2	67.7	178.3	-76.6	-91.6	0	0	0	111.1	R1895 Y1899	R1895-Y1897 VanDerWaalsContact O-CD2 3.23Å; R1895-Y1897 WeakPolarHBondContact O-CD2 3.31Å; R1895-Y1897 PolarHBondContact O-N 3.33Å; R1895-Y1897 VanDerWaalsContact O-N 3.08Å; Y1897-Y1899 VanDerWaalsContact O-CD2 3.27Å; Y1897-Y1899 WeakPolarHBondContact O-CD2 3.3Å; Y1897-Y1899 PolarHBondContact O-N 2.77Å
1898	N	44.3	Very low	48.4	Very low	72 Å²	72	108.3 Å²	108.3	39%	0.385	52%	0.524	S	S	.	.			trans	-64.7	110	149.2	-70.1	-11.1	0	0	0	105.6	I1896 Q1900	I1896-N1898 PolarHBondContact O-N 3.45Å; N1898-Q1900 PolarHBondContact O-N 3.1Å
1899	Y	60.6	Low	51.1	Low	41 Å²	41	102.5 Å²	102.5	16%	0.161	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	102.5	-177.4	-80.6	-116.5	0	0	0	108.4	Y1897 F1901 T1910 L1911 Y1927 N1959 L1961 Y1964	Y1897-Y1899 VanDerWaalsContact O-CD2 3.27Å; Y1897-Y1899 WeakPolarHBondContact O-CD2 3.3Å; Y1897-Y1899 PolarHBondContact O-N 2.77Å; Y1899-F1901 HydrophobicContact CD1-CZ 4.5Å; Y1899-T1910 WeakPolarHBondContact O-CA 3.32Å; Y1899-L1911 PolarHBondContact O-N 2.76Å; Y1899-Y1927 HydrophobicContact CD2-CE2 4.36Å; Y1899-Y1927 AromaticContact CD2-CZ 3.8Å; Y1899-Y1927 WeakPolarHBondContact CD2-OH 3.5Å; Y1899-Y1927 WeakPolarHBondContact CE2-OH 3.29Å; Y1899-N1959 WeakPolarHBondContact CE1-O 3.17Å; Y1899-L1961 HydrophobicContact CD1-CB 4.24Å; Y1899-L1961 HydrophobicContact CD1-CD1 3.84Å; Y1899-L1961 HydrophobicContact CD1-CG 3.86Å; Y1899-L1961 HydrophobicContact CE1-CB 4.14Å; Y1899-L1961 HydrophobicContact CE1-CD1 4.24Å; Y1899-L1961 HydrophobicContact CE1-CG 4.25Å; Y1899-L1961 HydrophobicContact CG-CD1 4.49Å; Y1899-Y1964 HydrophobicContact CD1-CE2 4.22Å; Y1899-Y1964 HydrophobicContact CE1-CE2 4.43Å
1900	Q	65.3	Low	53.7	Low	109 Å²	109	95.7 Å²	95.7	51%	0.509	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.8	-173.1	-82.8	176.3	-1.2	0	0	110.7	N1898 L1908 I1909 T1910	N1898-Q1900 PolarHBondContact O-N 3.1Å; Q1900-L1908 HydrophobicContact CB-CD1 3.9Å; Q1900-L1908 HydrophobicContact CG-CD1 3.93Å; Q1900-L1908 HydrophobicContact CG-CG 4.43Å; Q1900-I1909 CarbonylContact C-O 3.59Å; Q1900-I1909 WeakPolarHBondContact CA-O 3.29Å; Q1900-T1910 HydrophobicContact CG-CG2 4Å
1901	F	70.7	Confident	56.4	Low	20 Å²	20	89.1 Å²	89.1	9%	0.088	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.4	174.5	-50.7	-86.3	0	0	0	109.6	Y1899 I1909 L1911 L1961 Y1964 I1966	Y1899-F1901 HydrophobicContact CD1-CZ 4.5Å; F1901-I1909 HydrophobicContact CB-CB 4.34Å; F1901-I1909 PolarHBondContact N-O 3.14Å; F1901-I1909 PolarHBondContact O-N 2.85Å; F1901-L1911 HydrophobicContact CE2-CD1 4.03Å; F1901-L1911 HydrophobicContact CE2-CG 4.11Å; F1901-L1961 HydrophobicContact CD1-CD2 4.3Å; F1901-L1961 HydrophobicContact CE1-CD2 3.89Å; F1901-L1961 HydrophobicContact CE1-CG 4.18Å; F1901-Y1964 HydrophobicContact CE1-CD2 4.11Å; F1901-Y1964 HydrophobicContact CE1-CG 4.21Å; F1901-Y1964 AromaticContact CZ-CD2 3.66Å; F1901-Y1964 HydrophobicContact CZ-CD2 3.66Å; F1901-Y1964 HydrophobicContact CZ-CE2 4.33Å; F1901-Y1964 AromaticContact CZ-CG 3.85Å; F1901-Y1964 HydrophobicContact CZ-CG 3.85Å; F1901-I1966 HydrophobicContact CB-CD1 4.15Å
1902	I	64.4	Low	58.8	Low	114 Å²	114	82.9 Å²	82.9	59%	0.585	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	113.2	175.8	-60.6	174.7	0	0	0	108.9	I1907 L1908 I1935	I1902-I1907 WeakPolarHBondContact CA-O 3.43Å; I1902-L1908 HydrophobicContact CG1-CD1 3.94Å; I1902-I1935 HydrophobicContact CG2-CD1 4.24Å
1903	F	62.8	Low	61.2	Low	21 Å²	21	79.6 Å²	79.6	9%	0.092	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.5	177.1	-177.6	-108.4	0	0	0	110.3	G1905 K1906 I1907 I1909 I1966 Y1968 S1976	F1903-G1905 PolarHBondContact O-N 3.38Å; F1903-K1906 PolarHBondContact O-N 3.05Å; F1903-I1907 HydrophobicContact CB-CB 4.27Å; F1903-I1907 HydrophobicContact CD1-CB 4.42Å; F1903-I1907 HydrophobicContact CD1-CD1 4.34Å; F1903-I1907 PolarHBondContact N-O 2.9Å; F1903-I1907 PolarHBondContact O-N 3.13Å; F1903-I1909 HydrophobicContact CB-CD1 4.32Å; F1903-I1966 HydrophobicContact CB-CD1 3.95Å; F1903-I1966 HydrophobicContact CD2-CB 4.25Å; F1903-I1966 HydrophobicContact CD2-CD1 3.81Å; F1903-I1966 HydrophobicContact CD2-CG2 3.59Å; F1903-I1966 HydrophobicContact CE2-CG2 3.56Å; F1903-I1966 HydrophobicContact CG-CD1 4.3Å; F1903-Y1968 AromaticContact CD2-CE1 3.85Å; F1903-Y1968 HydrophobicContact CD2-CE1 3.85Å; F1903-Y1968 AromaticContact CE2-CD1 3.52Å; F1903-Y1968 HydrophobicContact CE2-CD1 3.52Å; F1903-Y1968 AromaticContact CE2-CE1 3.14Å; F1903-Y1968 HydrophobicContact CE2-CE1 3.14Å; F1903-Y1968 HydrophobicContact CE2-CG 4.5Å; F1903-Y1968 AromaticContact CE2-CZ 3.88Å; F1903-Y1968 AromaticContact CZ-CD1 3.78Å; F1903-Y1968 HydrophobicContact CZ-CD1 3.78Å; F1903-Y1968 AromaticContact CZ-CE1 3.66Å; F1903-Y1968 HydrophobicContact CZ-CE1 3.66Å; F1903-S1976 WeakPolarHBondContact CE1-OG 3.49Å; F1903-S1976 VanDerWaalsContact CZ-CB 3.47Å; F1903-S1976 WeakPolarHBondContact CZ-OG 3.37Å
1904	N	65.7	Low	63.7	Low	108 Å²	108	76.2 Å²	76.2	58%	0.578	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	20.1	-178	-77.5	-18.7	0	0	0	116	K1906 Y1968	N1904-K1906 PolarHBondContact O-N 3.35Å; N1904-K1906 VanDerWaalsContact O-N 3.13Å; N1904-Y1968 VanDerWaalsContact OD1-CE1 3.3Å; N1904-Y1968 WeakPolarHBondContact OD1-CE1 3.33Å
1905	G	66.5	Low	65.8	Low	57 Å²	57	70.1 Å²	70.1	59%	0.588	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	5.4	-173.9	0	0	0	0	0	114.8	F1903	F1903-G1905 PolarHBondContact O-N 3.38Å
1906	K	73.3	Confident	67.9	Low	130 Å²	130	66.6 Å²	66.6	57%	0.565	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.8	-22.6	-171.8	-76.8	-163.8	168.8	-154.3	0	114.8	F1903 N1904 E1934 I1935	F1903-K1906 PolarHBondContact O-N 3.05Å; N1904-K1906 PolarHBondContact O-N 3.35Å; N1904-K1906 VanDerWaalsContact O-N 3.13Å; K1906-E1934 CarbonylContact O-C 3.53Å; K1906-E1934 WeakPolarHBondContact O-CA 3.39Å; K1906-I1935 PolarHBondContact O-N 2.81Å
1907	I	75.1	Confident	69.7	Low	45 Å²	45	61.1 Å²	61.1	23%	0.231	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.7	-176.3	-62.5	179.1	0	0	0	108.9	I1902 F1903 I1909 I1932 Y1933 I1948	I1902-I1907 WeakPolarHBondContact CA-O 3.43Å; F1903-I1907 HydrophobicContact CB-CB 4.27Å; F1903-I1907 HydrophobicContact CD1-CB 4.42Å; F1903-I1907 HydrophobicContact CD1-CD1 4.34Å; F1903-I1907 PolarHBondContact N-O 2.9Å; F1903-I1907 PolarHBondContact O-N 3.13Å; I1907-I1909 HydrophobicContact CG2-CG1 4.28Å; I1907-I1932 HydrophobicContact CG2-CG2 3.48Å; I1907-I1932 VanDerWaalsContact CG2-CG2 3.48Å; I1907-Y1933 CarbonylContact C-O 3.48Å; I1907-Y1933 VanDerWaalsContact CA-O 3.28Å; I1907-Y1933 WeakPolarHBondContact CA-O 3.28Å; I1907-I1948 HydrophobicContact CD1-CD1 4.4Å; I1907-I1948 HydrophobicContact CG1-CD1 4.4Å
1908	L	78.5	Confident	70.8	Confident	11 Å²	11	61.5 Å²	61.5	6%	0.058	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	117.3	172.2	-176.2	69.9	0	0	0	109	Q1900 I1902 T1910 I1932 Y1933 I1935 L1945	Q1900-L1908 HydrophobicContact CB-CD1 3.9Å; Q1900-L1908 HydrophobicContact CG-CD1 3.93Å; Q1900-L1908 HydrophobicContact CG-CG 4.43Å; I1902-L1908 HydrophobicContact CG1-CD1 3.94Å; L1908-T1910 HydrophobicContact CD2-CG2 4.47Å; L1908-T1910 HydrophobicContact CG-CG2 4.5Å; L1908-I1932 WeakPolarHBondContact O-CA 3.2Å; L1908-Y1933 PolarHBondContact N-O 3.18Å; L1908-Y1933 PolarHBondContact O-N 2.98Å; L1908-I1935 HydrophobicContact CB-CD1 4.09Å; L1908-I1935 HydrophobicContact CB-CG1 4.04Å; L1908-L1945 HydrophobicContact CB-CD2 4.37Å; L1908-L1945 HydrophobicContact CD2-CD1 3.93Å; L1908-L1945 HydrophobicContact CD2-CD2 3.8Å
1909	I	80.6	Confident	71.6	Confident	1 Å²	1	64 Å²	64	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.8	172.4	-55.9	160.7	0	0	0	107.5	Q1900 F1901 F1903 I1907 M1930 G1931 I1966 L1993	Q1900-I1909 CarbonylContact C-O 3.59Å; Q1900-I1909 WeakPolarHBondContact CA-O 3.29Å; F1901-I1909 HydrophobicContact CB-CB 4.34Å; F1901-I1909 PolarHBondContact N-O 3.14Å; F1901-I1909 PolarHBondContact O-N 2.85Å; F1903-I1909 HydrophobicContact CB-CD1 4.32Å; I1907-I1909 HydrophobicContact CG2-CG1 4.28Å; I1909-M1930 HydrophobicContact CG2-CE 4Å; I1909-M1930 HydrophobicContact CG2-CG 3.67Å; I1909-M1930 HydrophobicContact CG2-SD 3.78Å; I1909-G1931 CarbonylContact C-O 3.51Å; I1909-G1931 WeakPolarHBondContact CA-O 3.5Å; I1909-I1966 HydrophobicContact CD1-CD1 3.88Å; I1909-L1993 HydrophobicContact CD1-CD1 3.72Å; I1909-L1993 HydrophobicContact CD1-CD2 3.88Å; I1909-L1993 HydrophobicContact CD1-CG 4.47Å
1910	T	82.7	Confident	71.4	Confident	4 Å²	4	64 Å²	64	3%	0.025	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141.5	172.4	52.9	0	0	0	0	109.9	Y1899 Q1900 L1908 E1912 M1930 G1931 Y1933	Y1899-T1910 WeakPolarHBondContact O-CA 3.32Å; Q1900-T1910 HydrophobicContact CG-CG2 4Å; L1908-T1910 HydrophobicContact CD2-CG2 4.47Å; L1908-T1910 HydrophobicContact CG-CG2 4.5Å; T1910-E1912 WeakPolarHBondContact CB-OE1 3.41Å; T1910-E1912 PolarHBondContact OG1-OE1 2.77Å; T1910-M1930 CarbonylContact O-C 3.5Å; T1910-M1930 VanDerWaalsContact O-CA 3.26Å; T1910-M1930 WeakPolarHBondContact O-CA 2.98Å; T1910-G1931 PolarHBondContact N-O 2.6Å; T1910-G1931 PolarHBondContact O-N 3.3Å; T1910-G1931 WeakPolarHBondContact OG1-CA 3.17Å; T1910-G1931 PolarHBondContact OG1-N 2.95Å; T1910-G1931 PolarHBondContact OG1-O 3.29Å; T1910-Y1933 HydrophobicContact CG2-CD2 4.33Å; T1910-Y1933 HydrophobicContact CG2-CE2 3.91Å
1911	L	82.8	Confident	70.7	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.6	158.7	-54.6	-180	0	0	0	109	Y1899 F1901 Y1927 M1930 I1956	Y1899-L1911 PolarHBondContact O-N 2.76Å; F1901-L1911 HydrophobicContact CE2-CD1 4.03Å; F1901-L1911 HydrophobicContact CE2-CG 4.11Å; L1911-Y1927 HydrophobicContact CB-CD1 3.61Å; L1911-Y1927 HydrophobicContact CB-CD2 3.92Å; L1911-Y1927 HydrophobicContact CB-CE1 4.03Å; L1911-Y1927 HydrophobicContact CB-CE2 4.31Å; L1911-Y1927 HydrophobicContact CB-CG 3.56Å; L1911-Y1927 HydrophobicContact CD1-CD2 3.9Å; L1911-Y1927 HydrophobicContact CD1-CE2 4.24Å; L1911-Y1927 HydrophobicContact CD1-CG 4.34Å; L1911-Y1927 HydrophobicContact CG-CG 4.49Å; L1911-M1930 HydrophobicContact CD2-CB 4.26Å; L1911-M1930 HydrophobicContact CD2-CE 3.64Å; L1911-M1930 HydrophobicContact CD2-CG 4.29Å; L1911-I1956 HydrophobicContact CD1-CG2 3.89Å; L1911-I1956 HydrophobicContact CD2-CD1 3.7Å
1912	E	77.2	Confident	69.8	Low	31 Å²	31	70.4 Å²	70.4	15%	0.145	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	169	-166.5	-75.1	173.1	-151.7	0	0	111.6	T1910 Q1928 R1929 Y1933 H1950	T1910-E1912 WeakPolarHBondContact CB-OE1 3.41Å; T1910-E1912 PolarHBondContact OG1-OE1 2.77Å; E1912-Q1928 PolarHBondContact O-N 3.06Å; E1912-R1929 HydrophobicContact CB-CB 3.84Å; E1912-R1929 PolarHBondContact N-O 3.07Å; E1912-R1929 PolarHBondContact O-N 3.15Å; E1912-R1929 VanDerWaalsContact O-N 3.09Å; E1912-R1929 VanDerWaalsContact O-O 3.12Å; E1912-Y1933 PolarHBondContact OE1-OH 2.83Å; E1912-H1950 IonicContact OE1-CE1 2.66Å; E1912-H1950 IonicContact OE2-CE1 3.06Å; E1912-H1950 PolarHBondContact OE2-CE1 2.83Å; E1912-H1950 IonicContact OE2-ND1 3.35Å; E1912-H1950 PolarHBondContact OE2-ND1 3.37Å
1913	K	79.9	Confident	69.3	Low	76 Å²	76	70 Å²	70	33%	0.33	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.5	59.3	177.7	-162.4	178.1	-169.8	-70.8	0	111.1	E1915 Q1928 R1929	K1913-E1915 WeakPolarHBondContact CE-OE1 3.39Å; K1913-E1915 HydrophobicContact CG-CG 4.18Å; K1913-E1915 WeakPolarHBondContact CG-OE1 3.49Å; K1913-E1915 IonicContact NZ-OE1 2.67Å; K1913-E1915 PolarHBondContact NZ-OE1 3.14Å; K1913-E1915 IonicContact NZ-OE2 2.64Å; K1913-E1915 PolarHBondContact NZ-OE2 3.32Å; K1913-E1915 PolarHBondContact O-N 2.96Å; K1913-E1915 VanDerWaalsContact O-N 3.12Å; K1913-Q1928 HydrophobicContact CB-CB 4.27Å; K1913-Q1928 HydrophobicContact CD-CB 4.1Å; K1913-Q1928 HydrophobicContact CG-CB 4.16Å; K1913-Q1928 PolarHBondContact O-N 3.31Å; K1913-R1929 HydrophobicContact CB-CB 4.02Å; K1913-R1929 HydrophobicContact CB-CG 3.96Å; K1913-R1929 HydrophobicContact CD-CG 4Å
1914	L	77.9	Confident	69.3	Low	77 Å²	77	72.6 Å²	72.6	40%	0.403	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	105.7	170.2	-173.5	77.7	0	0	0	108.4	E1925 V1926 Y1927 P1958	L1914-E1925 HydrophobicContact CD1-CB 3.94Å; L1914-E1925 HydrophobicContact CG-CB 4.15Å; L1914-V1926 WeakPolarHBondContact CA-O 3.44Å; L1914-Y1927 HydrophobicContact CB-CD1 4.26Å; L1914-Y1927 HydrophobicContact CB-CE1 4.04Å; L1914-Y1927 HydrophobicContact CD1-CD1 4.15Å; L1914-Y1927 HydrophobicContact CD1-CD2 4.4Å; L1914-Y1927 HydrophobicContact CD1-CE1 3.84Å; L1914-Y1927 HydrophobicContact CD1-CE2 4.1Å; L1914-Y1927 HydrophobicContact CD1-CG 4.41Å; L1914-P1958 HydrophobicContact CD1-CG 3.69Å
1915	E	75.9	Confident	69.7	Low	83 Å²	83	71.6 Å²	71.6	39%	0.388	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	165.7	-176.5	-80.9	-179.3	-146.7	0	0	110	K1913 V1926 Q1928	K1913-E1915 WeakPolarHBondContact CE-OE1 3.39Å; K1913-E1915 HydrophobicContact CG-CG 4.18Å; K1913-E1915 WeakPolarHBondContact CG-OE1 3.49Å; K1913-E1915 IonicContact NZ-OE1 2.67Å; K1913-E1915 PolarHBondContact NZ-OE1 3.14Å; K1913-E1915 IonicContact NZ-OE2 2.64Å; K1913-E1915 PolarHBondContact NZ-OE2 3.32Å; K1913-E1915 PolarHBondContact O-N 2.96Å; K1913-E1915 VanDerWaalsContact O-N 3.12Å; E1915-V1926 PolarHBondContact N-O 3.16Å; E1915-V1926 WeakPolarHBondContact O-CG2 3.38Å; E1915-V1926 PolarHBondContact O-N 3.48Å; E1915-V1926 VanDerWaalsContact O-O 3.11Å; E1915-Q1928 HydrophobicContact CB-CG 4.2Å; E1915-Q1928 PolarHBondContact OE2-NE2 3.21Å; E1915-Q1928 PolarHBondContact OE2-OE1 3.05Å
1916	Y	74.1	Confident	70.2	Confident	125 Å²	125	69.2 Å²	69.2	49%	0.49	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	141	175.6	-61.9	-66.9	0	0	0	111.4	I1918 C1923 K1924 E1925 Q1928	Y1916-I1918 PolarHBondContact O-N 3.02Å; Y1916-C1923 VanDerWaalsContact CD1-C 3.49Å; Y1916-C1923 HydrophobicContact CD1-CB 4Å; Y1916-C1923 WeakPolarHBondContact CD1-O 3.49Å; Y1916-C1923 WeakPolarHBondContact CE1-O 3.19Å; Y1916-C1923 HydrophobicContact CG-CB 4.41Å; Y1916-K1924 WeakPolarHBondContact CA-O 3.3Å; Y1916-E1925 HydrophobicContact CD1-CG 3.94Å; Y1916-E1925 HydrophobicContact CE1-CG 3.36Å; Y1916-E1925 PolarHBondContact OH-OE1 2.93Å; Y1916-Q1928 PolarHBondContact O-NE2 3.28Å
1917	S	66.3	Low	70.7	Confident	10 Å²	10	63.7 Å²	63.7	7%	0.07	32%	0.315	C	S	.	.			trans	-71.8	122.4	177.4	-176.7	0	0	0	0	111.1	I1919 V1920 K1924 F1955	S1917-I1919 PolarHBondContact O-N 3.39Å; S1917-I1919 PolarHBondContact OG-N 3.04Å; S1917-V1920 PolarHBondContact OG-N 3.41Å; S1917-K1924 PolarHBondContact N-O 3.07Å; S1917-F1955 WeakPolarHBondContact OG-CD1 3.17Å; S1917-F1955 WeakPolarHBondContact OG-CE1 3.3Å
1918	I	63.2	Low	71	Confident	157 Å²	157	62.5 Å²	62.5	81%	0.805	31%	0.308	S	S	*	.	S	Bend	trans	-69.9	-20.2	172.7	-54.2	173.6	0	0	0	111.1	Y1916	Y1916-I1918 PolarHBondContact O-N 3.02Å
1919	I	60.4	Low	71.2	Confident	124 Å²	124	66.6 Å²	66.6	64%	0.636	32%	0.323	S	S	*	.	S	Bend	trans	-89.3	-19.3	-176.4	-57.5	-178.1	0	0	0	112.1	S1917 F1955	S1917-I1919 PolarHBondContact O-N 3.39Å; S1917-I1919 PolarHBondContact OG-N 3.04Å; I1919-F1955 HydrophobicContact CB-CE1 4.47Å; I1919-F1955 HydrophobicContact CD1-CD2 4.18Å; I1919-F1955 HydrophobicContact CD1-CE1 3.97Å; I1919-F1955 HydrophobicContact CD1-CE2 3.53Å; I1919-F1955 HydrophobicContact CD1-CZ 3.42Å; I1919-F1955 VanDerWaalsContact CD1-CZ 3.42Å; I1919-F1955 HydrophobicContact CG1-CE1 4.08Å; I1919-F1955 HydrophobicContact CG1-CE2 4.47Å; I1919-F1955 HydrophobicContact CG1-CZ 3.88Å
1920	V	55.8	Low	71.5	Confident	42 Å²	42	66.7 Å²	66.7	26%	0.255	32%	0.323	S	S	.	.			trans	-114.3	110.7	-178.3	-176.2	0	0	0	0	108.5	S1917 E1922 K1924	S1917-V1920 PolarHBondContact OG-N 3.41Å; V1920-E1922 HydrophobicContact CG1-CB 4.11Å; V1920-E1922 CarbonylContact O-C 3.6Å; V1920-E1922 PolarHBondContact O-N 2.68Å; V1920-E1922 VanDerWaalsContact O-O 3.1Å; V1920-K1924 HydrophobicContact CG1-CD 4.35Å
1921	E	50.9	Low	71.5	Confident	146 Å²	146	66.5 Å²	66.5	68%	0.682	32%	0.322	S	S	*	.	S	Bend	trans	-60.6	-25.8	-177.9	-67	173.7	-156.1	0	0	113.5	R217 C1923	R217-E1921 IonicContact CZ-OE2 2.81Å; R217-E1921 VanDerWaalsContact CZ-OE2 3.28Å; R217-E1921 IonicContact NE-OE2 3.2Å; R217-E1921 IonicContact NH1-OE2 3.95Å; R217-E1921 PolarHBondContact NH1-OE2 3.16Å; E1921-C1923 PolarHBondContact O-N 2.88Å
1922	E	52.2	Low	71.5	Confident	116 Å²	116	66.8 Å²	66.8	54%	0.542	32%	0.324	S	S	.	.	S	Bend	trans	-71.8	111.4	164	-60.7	178.6	166.9	0	0	108.4	V1920 K1924	V1920-E1922 HydrophobicContact CG1-CB 4.11Å; V1920-E1922 CarbonylContact O-C 3.6Å; V1920-E1922 PolarHBondContact O-N 2.68Å; V1920-E1922 VanDerWaalsContact O-O 3.1Å; E1922-K1924 HydrophobicContact CB-CD 4.33Å; E1922-K1924 HydrophobicContact CB-CG 4.48Å; E1922-K1924 PolarHBondContact O-N 2.94Å; E1922-K1924 WeakPolarHBondContact OE2-CE 3.42Å; E1922-K1924 IonicContact OE2-NZ 2.76Å; E1922-K1924 PolarHBondContact OE2-NZ 3.19Å
1923	C	52.9	Low	71.7	Confident	106 Å²	106	67.4 Å²	67.4	72%	0.716	33%	0.325	S	S	*	.			trans	-60.1	78.6	-179.2	-65.5	0	0	0	0	113	Y1916 E1921	Y1916-C1923 VanDerWaalsContact CD1-C 3.49Å; Y1916-C1923 HydrophobicContact CD1-CB 4Å; Y1916-C1923 WeakPolarHBondContact CD1-O 3.49Å; Y1916-C1923 WeakPolarHBondContact CE1-O 3.19Å; Y1916-C1923 HydrophobicContact CG-CB 4.41Å; E1921-C1923 PolarHBondContact O-N 2.88Å
1924	K	62.9	Low	71.9	Confident	76 Å²	76	67.4 Å²	67.4	33%	0.33	33%	0.326	S	S	.	.			trans	-103.5	136.8	178.5	-77.8	166.6	168.5	163.9	0	110.4	Y1916 S1917 V1920 E1922 E1983	Y1916-K1924 WeakPolarHBondContact CA-O 3.3Å; S1917-K1924 PolarHBondContact N-O 3.07Å; V1920-K1924 HydrophobicContact CG1-CD 4.35Å; E1922-K1924 HydrophobicContact CB-CD 4.33Å; E1922-K1924 HydrophobicContact CB-CG 4.48Å; E1922-K1924 PolarHBondContact O-N 2.94Å; E1922-K1924 WeakPolarHBondContact OE2-CE 3.42Å; E1922-K1924 IonicContact OE2-NZ 2.76Å; E1922-K1924 PolarHBondContact OE2-NZ 3.19Å; K1924-E1983 IonicContact NZ-OE2 2.69Å; K1924-E1983 PolarHBondContact NZ-OE2 2.98Å
1925	E	75	Confident	72	Confident	87 Å²	87	65.2 Å²	65.2	41%	0.407	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	131.9	176.4	-62.3	174.1	-176.7	0	0	109.9	L1914 Y1916 P1958	L1914-E1925 HydrophobicContact CD1-CB 3.94Å; L1914-E1925 HydrophobicContact CG-CB 4.15Å; Y1916-E1925 HydrophobicContact CD1-CG 3.94Å; Y1916-E1925 HydrophobicContact CE1-CG 3.36Å; Y1916-E1925 PolarHBondContact OH-OE1 2.93Å; E1925-P1958 WeakPolarHBondContact O-CD 3.46Å
1926	V	76.9	Confident	72.1	Confident	6 Å²	6	64.8 Å²	64.8	4%	0.036	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.3	178.1	-68.3	0	0	0	0	109.4	L1914 E1915 Q1928 F1955 I1956 I1957	L1914-V1926 WeakPolarHBondContact CA-O 3.44Å; E1915-V1926 PolarHBondContact N-O 3.16Å; E1915-V1926 WeakPolarHBondContact O-CG2 3.38Å; E1915-V1926 PolarHBondContact O-N 3.48Å; E1915-V1926 VanDerWaalsContact O-O 3.11Å; V1926-Q1928 HydrophobicContact CG2-CG 4.13Å; V1926-Q1928 PolarHBondContact O-N 3.41Å; V1926-F1955 HydrophobicContact CG2-CD1 4.02Å; V1926-F1955 HydrophobicContact CG2-CE1 4.49Å; V1926-I1956 WeakPolarHBondContact CA-O 3.32Å; V1926-I1957 HydrophobicContact CG1-CG1 4.33Å
1927	Y	83.4	Confident	72	Confident	14 Å²	14	65.5 Å²	65.5	6%	0.055	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	102.4	168.1	-67.4	-75.1	0	0	0	109.2	Y1899 L1911 L1914 R1929 V1954 I1956 P1958	Y1899-Y1927 HydrophobicContact CD2-CE2 4.36Å; Y1899-Y1927 AromaticContact CD2-CZ 3.8Å; Y1899-Y1927 WeakPolarHBondContact CD2-OH 3.5Å; Y1899-Y1927 WeakPolarHBondContact CE2-OH 3.29Å; L1911-Y1927 HydrophobicContact CB-CD1 3.61Å; L1911-Y1927 HydrophobicContact CB-CD2 3.92Å; L1911-Y1927 HydrophobicContact CB-CE1 4.03Å; L1911-Y1927 HydrophobicContact CB-CE2 4.31Å; L1911-Y1927 HydrophobicContact CB-CG 3.56Å; L1911-Y1927 HydrophobicContact CD1-CD2 3.9Å; L1911-Y1927 HydrophobicContact CD1-CE2 4.24Å; L1911-Y1927 HydrophobicContact CD1-CG 4.34Å; L1911-Y1927 HydrophobicContact CG-CG 4.49Å; L1914-Y1927 HydrophobicContact CB-CD1 4.26Å; L1914-Y1927 HydrophobicContact CB-CE1 4.04Å; L1914-Y1927 HydrophobicContact CD1-CD1 4.15Å; L1914-Y1927 HydrophobicContact CD1-CD2 4.4Å; L1914-Y1927 HydrophobicContact CD1-CE1 3.84Å; L1914-Y1927 HydrophobicContact CD1-CE2 4.1Å; L1914-Y1927 HydrophobicContact CD1-CG 4.41Å; Y1927-R1929 PolarHBondContact O-N 3.32Å; Y1927-V1954 CarbonylContact O-C 3.5Å; Y1927-I1956 HydrophobicContact CD2-CG2 4.36Å; Y1927-I1956 PolarHBondContact N-O 3.29Å; Y1927-P1958 HydrophobicContact CD2-CG 4.23Å; Y1927-P1958 HydrophobicContact CE2-CB 4.01Å; Y1927-P1958 HydrophobicContact CE2-CG 3.76Å
1928	Q	82.3	Confident	71.9	Confident	21 Å²	21	67.7 Å²	67.7	10%	0.098	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-9.9	177.5	-66.9	-171.6	7.8	0	0	113.4	E1912 K1913 E1915 Y1916 V1926 D1953 V1954	E1912-Q1928 PolarHBondContact O-N 3.06Å; K1913-Q1928 HydrophobicContact CB-CB 4.27Å; K1913-Q1928 HydrophobicContact CD-CB 4.1Å; K1913-Q1928 HydrophobicContact CG-CB 4.16Å; K1913-Q1928 PolarHBondContact O-N 3.31Å; E1915-Q1928 HydrophobicContact CB-CG 4.2Å; E1915-Q1928 PolarHBondContact OE2-NE2 3.21Å; E1915-Q1928 PolarHBondContact OE2-OE1 3.05Å; Y1916-Q1928 PolarHBondContact O-NE2 3.28Å; V1926-Q1928 HydrophobicContact CG2-CG 4.13Å; V1926-Q1928 PolarHBondContact O-N 3.41Å; Q1928-D1953 PolarHBondContact O-N 2.86Å; Q1928-V1954 WeakPolarHBondContact CA-O 3.45Å
1929	R	83	Confident	71.7	Confident	97 Å²	97	65.9 Å²	65.9	37%	0.366	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.2	175.4	-74	-175.5	178	176.1	-0.8	112.2	E1912 K1913 Y1927 L1951 T1952	E1912-R1929 HydrophobicContact CB-CB 3.84Å; E1912-R1929 PolarHBondContact N-O 3.07Å; E1912-R1929 PolarHBondContact O-N 3.15Å; E1912-R1929 VanDerWaalsContact O-N 3.09Å; E1912-R1929 VanDerWaalsContact O-O 3.12Å; K1913-R1929 HydrophobicContact CB-CB 4.02Å; K1913-R1929 HydrophobicContact CB-CG 3.96Å; K1913-R1929 HydrophobicContact CD-CG 4Å; Y1927-R1929 PolarHBondContact O-N 3.32Å; R1929-L1951 VanDerWaalsContact CA-O 3.31Å; R1929-L1951 WeakPolarHBondContact CA-O 3.3Å; R1929-T1952 HydrophobicContact CG-CG2 4.33Å
1930	M	85.6	Confident	71.4	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	113.9	160.8	173.8	-176.9	-77	0	0	108.4	I1909 T1910 L1911 I1932 H1950 L1951 V1954 I1956 L1978 L1993	I1909-M1930 HydrophobicContact CG2-CE 4Å; I1909-M1930 HydrophobicContact CG2-CG 3.67Å; I1909-M1930 HydrophobicContact CG2-SD 3.78Å; T1910-M1930 CarbonylContact O-C 3.5Å; T1910-M1930 VanDerWaalsContact O-CA 3.26Å; T1910-M1930 WeakPolarHBondContact O-CA 2.98Å; L1911-M1930 HydrophobicContact CD2-CB 4.26Å; L1911-M1930 HydrophobicContact CD2-CE 3.64Å; L1911-M1930 HydrophobicContact CD2-CG 4.29Å; M1930-I1932 HydrophobicContact CG-CG1 4.15Å; M1930-I1932 HydrophobicContact SD-CD1 4.27Å; M1930-I1932 HydrophobicContact SD-CG1 4.43Å; M1930-H1950 CarbonylContact O-C 3.46Å; M1930-H1950 WeakPolarHBondContact O-CA 3.3Å; M1930-L1951 HydrophobicContact CB-CB 4.34Å; M1930-L1951 PolarHBondContact N-O 3.33Å; M1930-L1951 PolarHBondContact O-N 3.31Å; M1930-L1951 HydrophobicContact SD-CD1 4.12Å; M1930-V1954 HydrophobicContact CB-CG2 4.43Å; M1930-I1956 HydrophobicContact CE-CD1 3.56Å; M1930-L1978 HydrophobicContact CE-CD2 3.66Å; M1930-L1993 HydrophobicContact CE-CD2 3.95Å; M1930-L1993 HydrophobicContact SD-CD2 3.61Å
1931	G	82.7	Confident	71.2	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	145.4	168.6	0	0	0	0	0	110.5	I1909 T1910 H1950	I1909-G1931 CarbonylContact C-O 3.51Å; I1909-G1931 WeakPolarHBondContact CA-O 3.5Å; T1910-G1931 PolarHBondContact N-O 2.6Å; T1910-G1931 PolarHBondContact O-N 3.3Å; T1910-G1931 WeakPolarHBondContact OG1-CA 3.17Å; T1910-G1931 PolarHBondContact OG1-N 2.95Å; T1910-G1931 PolarHBondContact OG1-O 3.29Å; G1931-H1950 WeakPolarHBondContact CA-ND1 3.26Å
1932	I	82.8	Confident	71	Confident	7 Å²	7	66.1 Å²	66.1	4%	0.036	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	119.6	176	-52.1	-177.3	0	0	0	107.2	I1907 L1908 M1930 I1948 R1949 L1951 L1993	I1907-I1932 HydrophobicContact CG2-CG2 3.48Å; I1907-I1932 VanDerWaalsContact CG2-CG2 3.48Å; L1908-I1932 WeakPolarHBondContact O-CA 3.2Å; M1930-I1932 HydrophobicContact CG-CG1 4.15Å; M1930-I1932 HydrophobicContact SD-CD1 4.27Å; M1930-I1932 HydrophobicContact SD-CG1 4.43Å; I1932-I1948 HydrophobicContact CG2-CB 4.45Å; I1932-I1948 HydrophobicContact CG2-CD1 4.08Å; I1932-I1948 WeakPolarHBondContact O-CA 3.38Å; I1932-I1948 WeakPolarHBondContact O-CB 3.25Å; I1932-I1948 PolarHBondContact O-N 2.81Å; I1932-R1949 HydrophobicContact CB-CG 4.29Å; I1932-R1949 HydrophobicContact CD1-CG 4.22Å; I1932-R1949 HydrophobicContact CG1-CG 4.47Å; I1932-R1949 PolarHBondContact N-O 3.47Å; I1932-R1949 PolarHBondContact O-N 3.01Å; I1932-R1949 VanDerWaalsContact O-N 3.15Å; I1932-L1951 HydrophobicContact CD1-CD1 4.18Å; I1932-L1993 WeakPolarHBondContact CD1-O 3.41Å
1933	Y	82.5	Confident	71.5	Confident	43 Å²	43	67 Å²	67	17%	0.169	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.9	-178.6	-52.9	-102.9	0	0	0	109.9	I1907 L1908 T1910 E1912 L1945 N1946 H1947 H1950	I1907-Y1933 CarbonylContact C-O 3.48Å; I1907-Y1933 VanDerWaalsContact CA-O 3.28Å; I1907-Y1933 WeakPolarHBondContact CA-O 3.28Å; L1908-Y1933 PolarHBondContact N-O 3.18Å; L1908-Y1933 PolarHBondContact O-N 2.98Å; T1910-Y1933 HydrophobicContact CG2-CD2 4.33Å; T1910-Y1933 HydrophobicContact CG2-CE2 3.91Å; E1912-Y1933 PolarHBondContact OE1-OH 2.83Å; Y1933-L1945 HydrophobicContact CD1-CB 4.05Å; Y1933-L1945 HydrophobicContact CG-CB 4.39Å; Y1933-N1946 CarbonylContact C-O 3.55Å; Y1933-N1946 VanDerWaalsContact CA-O 3.3Å; Y1933-N1946 WeakPolarHBondContact CA-O 3.33Å; Y1933-H1947 HydrophobicContact CD1-CB 3.74Å; Y1933-H1947 HydrophobicContact CE1-CB 3.81Å; Y1933-H1950 PolarHBondContact OH-CE1 3.06Å
1934	E	83.4	Confident	72.5	Confident	76 Å²	76	66.2 Å²	66.2	36%	0.355	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	139.6	164.4	-166.8	160.4	-155.6	0	0	109.2	K1906 L1945 N1946 I1948	K1906-E1934 CarbonylContact O-C 3.53Å; K1906-E1934 WeakPolarHBondContact O-CA 3.39Å; E1934-L1945 CarbonylContact O-C 3.57Å; E1934-L1945 WeakPolarHBondContact O-CA 3.24Å; E1934-N1946 HydrophobicContact CB-CB 4.23Å; E1934-N1946 PolarHBondContact N-O 3.47Å; E1934-N1946 PolarHBondContact O-N 2.95Å; E1934-I1948 HydrophobicContact CB-CD1 3.97Å; E1934-I1948 HydrophobicContact CB-CG1 4.07Å
1935	I	80.2	Confident	73.1	Confident	31 Å²	31	66.9 Å²	66.9	16%	0.159	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	90.4	-178.6	-51.9	174.9	0	0	0	107.6	I1902 K1906 L1908 Y1937 F1943 L1945	I1902-I1935 HydrophobicContact CG2-CD1 4.24Å; K1906-I1935 PolarHBondContact O-N 2.81Å; L1908-I1935 HydrophobicContact CB-CD1 4.09Å; L1908-I1935 HydrophobicContact CB-CG1 4.04Å; I1935-Y1937 PolarHBondContact O-N 3Å; I1935-F1943 HydrophobicContact CG2-CB 4.47Å; I1935-F1943 HydrophobicContact CG2-CD1 3.65Å; I1935-F1943 HydrophobicContact CG2-CE1 4.41Å; I1935-L1945 HydrophobicContact CG1-CD2 4.01Å
1936	D	78.3	Confident	73.2	Confident	75 Å²	75	66.2 Å²	66.2	40%	0.401	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	115.7	173	-98.4	12	0	0	0	109.5	N1938 H1944 N1946	D1936-N1938 PolarHBondContact O-N 3.26Å; D1936-H1944 HydrophobicContact CB-CB 4.01Å; D1936-H1944 PolarHBondContact N-O 3.25Å; D1936-H1944 PolarHBondContact O-N 3.21Å; D1936-N1946 PolarHBondContact OD2-ND2 3.21Å
1937	Y	72.3	Confident	73.4	Confident	140 Å²	140	70.5 Å²	70.5	55%	0.549	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	97.5	178	-170.8	-102.7	0	0	0	110.4	I1935 N1941 F1943	I1935-Y1937 PolarHBondContact O-N 3Å; Y1937-N1941 PolarHBondContact OH-OD1 2.74Å; Y1937-N1941 VanDerWaalsContact OH-OD1 3.07Å; Y1937-F1943 AromaticContact CD2-CD1 3.89Å; Y1937-F1943 HydrophobicContact CD2-CD1 3.89Å; Y1937-F1943 AromaticContact CD2-CE1 3.55Å; Y1937-F1943 HydrophobicContact CD2-CE1 3.55Å; Y1937-F1943 HydrophobicContact CD2-CZ 4.09Å; Y1937-F1943 HydrophobicContact CE2-CD1 4.48Å; Y1937-F1943 AromaticContact CE2-CE1 3.87Å; Y1937-F1943 HydrophobicContact CE2-CE1 3.87Å; Y1937-F1943 AromaticContact CE2-CZ 3.91Å; Y1937-F1943 HydrophobicContact CE2-CZ 3.91Å
1938	N	63	Low	73.2	Confident	56 Å²	56	73.3 Å²	73.3	30%	0.299	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	131.5	175.8	-156.6	-6.8	0	0	0	109	D1936 T1940 N1941 E1942 H1944	D1936-N1938 PolarHBondContact O-N 3.26Å; N1938-T1940 PolarHBondContact O-N 3.15Å; N1938-N1941 PolarHBondContact O-N 2.92Å; N1938-N1941 VanDerWaalsContact O-N 3.16Å; N1938-E1942 VanDerWaalsContact CB-O 3.24Å; N1938-E1942 WeakPolarHBondContact CB-O 3.34Å; N1938-E1942 PolarHBondContact N-O 3.34Å; N1938-H1944 PolarHBondContact ND2-CD2 3.45Å; N1938-H1944 PolarHBondContact ND2-NE2 3.01Å
1939	P	59.5	Low	73.2	Confident	119 Å²	119	76 Å²	76	77%	0.773	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	3.9	179.3	21.1	-35	0	0	0	116.3
1940	T	53.4	Low	73.2	Confident	82 Å²	82	74.7 Å²	74.7	50%	0.503	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	3.3	168.4	51.1	0	0	0	0	114.1	N1938 E1942	N1938-T1940 PolarHBondContact O-N 3.15Å; T1940-E1942 VanDerWaalsContact CB-OE2 3.3Å; T1940-E1942 WeakPolarHBondContact CB-OE2 3.4Å; T1940-E1942 PolarHBondContact O-N 3.19Å; T1940-E1942 WeakPolarHBondContact OG1-CB 3.35Å; T1940-E1942 PolarHBondContact OG1-OE2 2.74Å
1941	N	52.2	Low	73	Confident	122 Å²	122	75.6 Å²	75.6	65%	0.652	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	15.3	-164.9	-72.4	-27.1	0	0	0	114.1	Y1937 N1938	Y1937-N1941 PolarHBondContact OH-OD1 2.74Å; Y1937-N1941 VanDerWaalsContact OH-OD1 3.07Å; N1938-N1941 PolarHBondContact O-N 2.92Å; N1938-N1941 VanDerWaalsContact O-N 3.16Å
1942	E	47.2	Very low	72.8	Confident	112 Å²	112	79.1 Å²	79.1	52%	0.523	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.1	174.1	-63	167.1	132.5	0	0	109.5	N1938 T1940 H1944	N1938-E1942 VanDerWaalsContact CB-O 3.24Å; N1938-E1942 WeakPolarHBondContact CB-O 3.34Å; N1938-E1942 PolarHBondContact N-O 3.34Å; T1940-E1942 VanDerWaalsContact CB-OE2 3.3Å; T1940-E1942 WeakPolarHBondContact CB-OE2 3.4Å; T1940-E1942 PolarHBondContact O-N 3.19Å; T1940-E1942 WeakPolarHBondContact OG1-CB 3.35Å; T1940-E1942 PolarHBondContact OG1-OE2 2.74Å; E1942-H1944 PolarHBondContact O-N 3.28Å
1943	F	62.8	Low	72.3	Confident	136 Å²	136	84.7 Å²	84.7	60%	0.596	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	114.4	172.4	-64.9	-90.3	0	0	0	109.2	I1935 Y1937	I1935-F1943 HydrophobicContact CG2-CB 4.47Å; I1935-F1943 HydrophobicContact CG2-CD1 3.65Å; I1935-F1943 HydrophobicContact CG2-CE1 4.41Å; Y1937-F1943 AromaticContact CD2-CD1 3.89Å; Y1937-F1943 HydrophobicContact CD2-CD1 3.89Å; Y1937-F1943 AromaticContact CD2-CE1 3.55Å; Y1937-F1943 HydrophobicContact CD2-CE1 3.55Å; Y1937-F1943 HydrophobicContact CD2-CZ 4.09Å; Y1937-F1943 HydrophobicContact CE2-CD1 4.48Å; Y1937-F1943 AromaticContact CE2-CE1 3.87Å; Y1937-F1943 HydrophobicContact CE2-CE1 3.87Å; Y1937-F1943 AromaticContact CE2-CZ 3.91Å; Y1937-F1943 HydrophobicContact CE2-CZ 3.91Å
1944	H	72.9	Confident	71.9	Confident	88 Å²	88	82.9 Å²	82.9	41%	0.407	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	128.7	169.5	-72.7	-42.6	0	0	0	110	D1936 N1938 E1942	D1936-H1944 HydrophobicContact CB-CB 4.01Å; D1936-H1944 PolarHBondContact N-O 3.25Å; D1936-H1944 PolarHBondContact O-N 3.21Å; N1938-H1944 PolarHBondContact ND2-CD2 3.45Å; N1938-H1944 PolarHBondContact ND2-NE2 3.01Å; E1942-H1944 PolarHBondContact O-N 3.28Å
1945	L	75.9	Confident	71.6	Confident	90 Å²	90	82 Å²	82	47%	0.471	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	91	175.7	-67.8	176.8	0	0	0	109.5	L1908 Y1933 E1934 I1935 H1947	L1908-L1945 HydrophobicContact CB-CD2 4.37Å; L1908-L1945 HydrophobicContact CD2-CD1 3.93Å; L1908-L1945 HydrophobicContact CD2-CD2 3.8Å; Y1933-L1945 HydrophobicContact CD1-CB 4.05Å; Y1933-L1945 HydrophobicContact CG-CB 4.39Å; E1934-L1945 CarbonylContact O-C 3.57Å; E1934-L1945 WeakPolarHBondContact O-CA 3.24Å; I1935-L1945 HydrophobicContact CG1-CD2 4.01Å; L1945-H1947 PolarHBondContact O-N 3.32Å; L1945-H1947 VanDerWaalsContact O-N 3.16Å
1946	N	77.7	Confident	71.6	Confident	73 Å²	73	80.6 Å²	80.6	39%	0.39	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	102.5	175.1	-71.6	-14.5	0	0	0	109.1	Y1933 E1934 D1936 I1948	Y1933-N1946 CarbonylContact C-O 3.55Å; Y1933-N1946 VanDerWaalsContact CA-O 3.3Å; Y1933-N1946 WeakPolarHBondContact CA-O 3.33Å; E1934-N1946 HydrophobicContact CB-CB 4.23Å; E1934-N1946 PolarHBondContact N-O 3.47Å; E1934-N1946 PolarHBondContact O-N 2.95Å; D1936-N1946 PolarHBondContact OD2-ND2 3.21Å; N1946-I1948 PolarHBondContact O-N 2.8Å; N1946-I1948 VanDerWaalsContact O-N 3.13Å
1947	H	79.4	Confident	71.6	Confident	96 Å²	96	78.8 Å²	78.8	44%	0.444	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	117.8	175.8	162	-77.7	0	0	0	111.2	Y1933 L1945 R1949 H1950	Y1933-H1947 HydrophobicContact CD1-CB 3.74Å; Y1933-H1947 HydrophobicContact CE1-CB 3.81Å; L1945-H1947 PolarHBondContact O-N 3.32Å; L1945-H1947 VanDerWaalsContact O-N 3.16Å; H1947-R1949 VanDerWaalsContact CE1-CA 3.46Å; H1947-R1949 WeakPolarHBondContact CE1-CA 3.37Å; H1947-R1949 WeakPolarHBondContact NE2-CA 3.33Å; H1947-H1950 AromaticContact CD2-CD2 3.47Å; H1947-H1950 PolarHBondContact CD2-CD2 3.38Å; H1947-H1950 VanDerWaalsContact CD2-CD2 3.47Å; H1947-H1950 AromaticContact CD2-NE2 3.57Å; H1947-H1950 AromaticContact NE2-CD2 3.1Å; H1947-H1950 PolarHBondContact NE2-CD2 3.45Å; H1947-H1950 AromaticContact NE2-CG 3.69Å; H1947-H1950 PolarHBondContact NE2-N 2.76Å; H1947-H1950 AromaticContact NE2-NE2 3.73Å
1948	I	79.5	Confident	71.7	Confident	74 Å²	74	74.1 Å²	74.1	38%	0.379	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-54.7	175.1	-50.3	-179.3	0	0	0	109.8	I1907 I1932 E1934 N1946	I1907-I1948 HydrophobicContact CD1-CD1 4.4Å; I1907-I1948 HydrophobicContact CG1-CD1 4.4Å; I1932-I1948 HydrophobicContact CG2-CB 4.45Å; I1932-I1948 HydrophobicContact CG2-CD1 4.08Å; I1932-I1948 WeakPolarHBondContact O-CA 3.38Å; I1932-I1948 WeakPolarHBondContact O-CB 3.25Å; I1932-I1948 PolarHBondContact O-N 2.81Å; E1934-I1948 HydrophobicContact CB-CD1 3.97Å; E1934-I1948 HydrophobicContact CB-CG1 4.07Å; N1946-I1948 PolarHBondContact O-N 2.8Å; N1946-I1948 VanDerWaalsContact O-N 3.13Å
1949	R	83.4	Confident	72.1	Confident	78 Å²	78	72.6 Å²	72.6	29%	0.294	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	150.7	176.2	56.4	172.2	168.8	-101.2	-11.5	112.5	I1932 H1947 L1993	I1932-R1949 HydrophobicContact CB-CG 4.29Å; I1932-R1949 HydrophobicContact CD1-CG 4.22Å; I1932-R1949 HydrophobicContact CG1-CG 4.47Å; I1932-R1949 PolarHBondContact N-O 3.47Å; I1932-R1949 PolarHBondContact O-N 3.01Å; I1932-R1949 VanDerWaalsContact O-N 3.15Å; H1947-R1949 VanDerWaalsContact CE1-CA 3.46Å; H1947-R1949 WeakPolarHBondContact CE1-CA 3.37Å; H1947-R1949 WeakPolarHBondContact NE2-CA 3.33Å; R1949-L1993 PolarHBondContact NE-O 3.49Å; R1949-L1993 PolarHBondContact NH2-O 2.78Å
1950	H	81.9	Confident	72.5	Confident	69 Å²	69	72.4 Å²	72.4	32%	0.319	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131	152.4	-69.8	-74.5	0	0	0	109	E1912 M1930 G1931 Y1933 H1947	E1912-H1950 IonicContact OE1-CE1 2.66Å; E1912-H1950 IonicContact OE2-CE1 3.06Å; E1912-H1950 PolarHBondContact OE2-CE1 2.83Å; E1912-H1950 IonicContact OE2-ND1 3.35Å; E1912-H1950 PolarHBondContact OE2-ND1 3.37Å; M1930-H1950 CarbonylContact O-C 3.46Å; M1930-H1950 WeakPolarHBondContact O-CA 3.3Å; G1931-H1950 WeakPolarHBondContact CA-ND1 3.26Å; Y1933-H1950 PolarHBondContact OH-CE1 3.06Å; H1947-H1950 AromaticContact CD2-CD2 3.47Å; H1947-H1950 PolarHBondContact CD2-CD2 3.38Å; H1947-H1950 VanDerWaalsContact CD2-CD2 3.47Å; H1947-H1950 AromaticContact CD2-NE2 3.57Å; H1947-H1950 AromaticContact NE2-CD2 3.1Å; H1947-H1950 PolarHBondContact NE2-CD2 3.45Å; H1947-H1950 AromaticContact NE2-CG 3.69Å; H1947-H1950 PolarHBondContact NE2-N 2.76Å; H1947-H1950 AromaticContact NE2-NE2 3.73Å
1951	L	81.1	Confident	73	Confident	21 Å²	21	72 Å²	72	11%	0.11	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	115.9	163	-64	167.4	0	0	0	107.4	R1929 M1930 I1932 V1954	R1929-L1951 VanDerWaalsContact CA-O 3.31Å; R1929-L1951 WeakPolarHBondContact CA-O 3.3Å; M1930-L1951 HydrophobicContact CB-CB 4.34Å; M1930-L1951 PolarHBondContact N-O 3.33Å; M1930-L1951 PolarHBondContact O-N 3.31Å; M1930-L1951 HydrophobicContact SD-CD1 4.12Å; I1932-L1951 HydrophobicContact CD1-CD1 4.18Å; L1951-V1954 HydrophobicContact CB-CG2 3.64Å
1952	T	78.7	Confident	73.6	Confident	74 Å²	74	70.9 Å²	70.9	45%	0.454	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	170.2	167.8	58.1	0	0	0	0	110.3	R1929 V1954	R1929-T1952 HydrophobicContact CG-CG2 4.33Å; T1952-V1954 PolarHBondContact O-N 2.82Å
1953	D	72.2	Confident	74.7	Confident	124 Å²	124	67 Å²	67	66%	0.663	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	60	23.5	172.5	-43.2	-66.5	0	0	0	112.9	Q1928 F1955	Q1928-D1953 PolarHBondContact O-N 2.86Å; D1953-F1955 HydrophobicContact CB-CE2 4.5Å; D1953-F1955 WeakPolarHBondContact O-CD2 3.15Å; D1953-F1955 VanDerWaalsContact O-CE2 3.25Å; D1953-F1955 WeakPolarHBondContact O-CE2 3.45Å
1954	V	74.9	Confident	75.4	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.024	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	141.4	167.2	-175.8	0	0	0	0	107.5	Y1927 Q1928 M1930 L1951 T1952 I1956	Y1927-V1954 CarbonylContact O-C 3.5Å; Q1928-V1954 WeakPolarHBondContact CA-O 3.45Å; M1930-V1954 HydrophobicContact CB-CG2 4.43Å; L1951-V1954 HydrophobicContact CB-CG2 3.64Å; T1952-V1954 PolarHBondContact O-N 2.82Å; V1954-I1956 HydrophobicContact CG1-CB 4.45Å; V1954-I1956 HydrophobicContact CG1-CD1 3.55Å; V1954-I1956 HydrophobicContact CG1-CG1 3.67Å
1955	F	77.2	Confident	75.6	Confident	59 Å²	59	61.1 Å²	61.1	26%	0.259	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	75.6	176.9	-67.2	-93.6	0	0	0	108.9	S1917 I1919 V1926 D1953 Y1991	S1917-F1955 WeakPolarHBondContact OG-CD1 3.17Å; S1917-F1955 WeakPolarHBondContact OG-CE1 3.3Å; I1919-F1955 HydrophobicContact CB-CE1 4.47Å; I1919-F1955 HydrophobicContact CD1-CD2 4.18Å; I1919-F1955 HydrophobicContact CD1-CE1 3.97Å; I1919-F1955 HydrophobicContact CD1-CE2 3.53Å; I1919-F1955 HydrophobicContact CD1-CZ 3.42Å; I1919-F1955 VanDerWaalsContact CD1-CZ 3.42Å; I1919-F1955 HydrophobicContact CG1-CE1 4.08Å; I1919-F1955 HydrophobicContact CG1-CE2 4.47Å; I1919-F1955 HydrophobicContact CG1-CZ 3.88Å; V1926-F1955 HydrophobicContact CG2-CD1 4.02Å; V1926-F1955 HydrophobicContact CG2-CE1 4.49Å; D1953-F1955 HydrophobicContact CB-CE2 4.5Å; D1953-F1955 WeakPolarHBondContact O-CD2 3.15Å; D1953-F1955 VanDerWaalsContact O-CE2 3.25Å; D1953-F1955 WeakPolarHBondContact O-CE2 3.45Å; F1955-Y1991 WeakPolarHBondContact O-CE1 3.37Å; F1955-Y1991 PolarHBondContact O-OH 3.42Å
1956	I	80.3	Confident	75.7	Confident	1 Å²	1	58 Å²	58	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.3	174	-70.9	163	0	0	0	108.8	L1911 V1926 Y1927 M1930 V1954 Y1964 L1978 Y1991	L1911-I1956 HydrophobicContact CD1-CG2 3.89Å; L1911-I1956 HydrophobicContact CD2-CD1 3.7Å; V1926-I1956 WeakPolarHBondContact CA-O 3.32Å; Y1927-I1956 HydrophobicContact CD2-CG2 4.36Å; Y1927-I1956 PolarHBondContact N-O 3.29Å; M1930-I1956 HydrophobicContact CE-CD1 3.56Å; V1954-I1956 HydrophobicContact CG1-CB 4.45Å; V1954-I1956 HydrophobicContact CG1-CD1 3.55Å; V1954-I1956 HydrophobicContact CG1-CG1 3.67Å; I1956-Y1964 HydrophobicContact CG2-CE1 3.99Å; I1956-L1978 HydrophobicContact CD1-CD2 4.13Å; I1956-Y1991 HydrophobicContact CD1-CD1 4.23Å; I1956-Y1991 HydrophobicContact CD1-CG 4.27Å; I1956-Y1991 HydrophobicContact CG1-CD1 3.68Å; I1956-Y1991 HydrophobicContact CG1-CD2 4.11Å; I1956-Y1991 HydrophobicContact CG1-CE1 3.49Å; I1956-Y1991 VanDerWaalsContact CG1-CE1 3.49Å; I1956-Y1991 HydrophobicContact CG1-CE2 3.94Å; I1956-Y1991 HydrophobicContact CG1-CG 3.98Å
1957	I	77.6	Confident	75.6	Confident	37 Å²	37	55.8 Å²	55.8	19%	0.19	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-79	134.3	176.4	-54	104.6	0	0	0	109.1	V1926 Y1964 E1983	V1926-I1957 HydrophobicContact CG1-CG1 4.33Å; I1957-Y1964 PolarHBondContact O-OH 2.97Å; I1957-E1983 HydrophobicContact CB-CG 4.37Å; I1957-E1983 HydrophobicContact CD1-CG 3.68Å; I1957-E1983 HydrophobicContact CG1-CG 3.59Å; I1957-E1983 HydrophobicContact CG2-CG 4.16Å
1958	P	75.5	Confident	75.1	Confident	41 Å²	41	56.6 Å²	56.6	27%	0.266	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-59.3	134.3	175.1	-22.7	32.6	0	0	0	112.7	L1914 E1925 Y1927 Y1964	L1914-P1958 HydrophobicContact CD1-CG 3.69Å; E1925-P1958 WeakPolarHBondContact O-CD 3.46Å; Y1927-P1958 HydrophobicContact CD2-CG 4.23Å; Y1927-P1958 HydrophobicContact CE2-CB 4.01Å; Y1927-P1958 HydrophobicContact CE2-CG 3.76Å; P1958-Y1964 WeakPolarHBondContact CA-OH 3.34Å
1959	N	71.2	Confident	74.5	Confident	24 Å²	24	54.9 Å²	54.9	13%	0.128	28%	0.275	C	S	.	.			trans	-147.3	174.7	173	-99.5	-49	0	0	0	109.2	Y1899 E1963 Y1964 L1981 R1985	Y1899-N1959 WeakPolarHBondContact CE1-O 3.17Å; N1959-E1963 WeakPolarHBondContact CB-OE2 3.16Å; N1959-E1963 PolarHBondContact OD1-OE2 2.67Å; N1959-Y1964 HydrophobicContact CB-CE2 4.26Å; N1959-Y1964 PolarHBondContact N-OH 3.09Å; N1959-Y1964 WeakPolarHBondContact O-CE2 3.27Å; N1959-L1981 PolarHBondContact ND2-O 2.92Å; N1959-R1985 PolarHBondContact OD1-NH2 3.11Å
1960	H	66.9	Low	73.3	Confident	116 Å²	116	56.5 Å²	56.5	54%	0.537	30%	0.299	S	S	.	.			trans	-66.8	144.2	-177.4	-167.4	-104.6	0	0	0	111	T1962 E1963	H1960-T1962 PolarHBondContact ND1-OG1 3.42Å; H1960-T1962 PolarHBondContact O-N 2.85Å; H1960-E1963 HydrophobicContact CB-CG 4.05Å; H1960-E1963 WeakPolarHBondContact CB-OE2 3.19Å; H1960-E1963 PolarHBondContact N-OE2 2.85Å; H1960-E1963 WeakPolarHBondContact O-CB 3.33Å; H1960-E1963 PolarHBondContact O-N 3.43Å
1961	L	64.8	Low	72.4	Confident	73 Å²	73	58 Å²	58	38%	0.382	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-60.1	-27.4	-170.3	-149.3	152.4	0	0	0	112.8	Y1899 F1901	Y1899-L1961 HydrophobicContact CD1-CB 4.24Å; Y1899-L1961 HydrophobicContact CD1-CD1 3.84Å; Y1899-L1961 HydrophobicContact CD1-CG 3.86Å; Y1899-L1961 HydrophobicContact CE1-CB 4.14Å; Y1899-L1961 HydrophobicContact CE1-CD1 4.24Å; Y1899-L1961 HydrophobicContact CE1-CG 4.25Å; Y1899-L1961 HydrophobicContact CG-CD1 4.49Å; F1901-L1961 HydrophobicContact CD1-CD2 4.3Å; F1901-L1961 HydrophobicContact CE1-CD2 3.89Å; F1901-L1961 HydrophobicContact CE1-CG 4.18Å
1962	T	65.4	Low	71.2	Confident	98 Å²	98	62.9 Å²	62.9	60%	0.601	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-76.9	-13.3	174.8	62.5	0	0	0	0	115.2	H1960	H1960-T1962 PolarHBondContact ND1-OG1 3.42Å; H1960-T1962 PolarHBondContact O-N 2.85Å
1963	E	70.4	Confident	70.2	Confident	30 Å²	30	66.9 Å²	66.9	14%	0.14	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-88.1	-16.6	-179.8	-63	172.7	148.4	0	0	111.9	N1959 H1960 L1981 R1985	N1959-E1963 WeakPolarHBondContact CB-OE2 3.16Å; N1959-E1963 PolarHBondContact OD1-OE2 2.67Å; H1960-E1963 HydrophobicContact CB-CG 4.05Å; H1960-E1963 WeakPolarHBondContact CB-OE2 3.19Å; H1960-E1963 PolarHBondContact N-OE2 2.85Å; H1960-E1963 WeakPolarHBondContact O-CB 3.33Å; H1960-E1963 PolarHBondContact O-N 3.43Å; E1963-L1981 HydrophobicContact CB-CD1 4.25Å; E1963-L1981 HydrophobicContact CG-CD1 4.3Å; E1963-R1985 IonicContact OE1-CZ 2.64Å; E1963-R1985 IonicContact OE1-NH1 3.99Å; E1963-R1985 PolarHBondContact OE1-NH1 3.06Å; E1963-R1985 IonicContact OE1-NH2 3.99Å; E1963-R1985 PolarHBondContact OE1-NH2 3.5Å; E1963-R1985 IonicContact OE2-CZ 2.75Å; E1963-R1985 IonicContact OE2-NH1 2.68Å; E1963-R1985 IonicContact OE2-NH2 3.05Å; E1963-R1985 PolarHBondContact OE2-NH2 3.17Å
1964	Y	77.3	Confident	69.4	Low	13 Å²	13	63.7 Å²	63.7	5%	0.051	35%	0.346	C	S	.	.			trans	-84.4	138.1	164.9	-56	-78.6	0	0	0	110.6	Y1899 F1901 I1956 I1957 P1958 N1959 L1978 L1979	Y1899-Y1964 HydrophobicContact CD1-CE2 4.22Å; Y1899-Y1964 HydrophobicContact CE1-CE2 4.43Å; F1901-Y1964 HydrophobicContact CE1-CD2 4.11Å; F1901-Y1964 HydrophobicContact CE1-CG 4.21Å; F1901-Y1964 AromaticContact CZ-CD2 3.66Å; F1901-Y1964 HydrophobicContact CZ-CD2 3.66Å; F1901-Y1964 HydrophobicContact CZ-CE2 4.33Å; F1901-Y1964 AromaticContact CZ-CG 3.85Å; F1901-Y1964 HydrophobicContact CZ-CG 3.85Å; I1956-Y1964 HydrophobicContact CG2-CE1 3.99Å; I1957-Y1964 PolarHBondContact O-OH 2.97Å; P1958-Y1964 WeakPolarHBondContact CA-OH 3.34Å; N1959-Y1964 HydrophobicContact CB-CE2 4.26Å; N1959-Y1964 PolarHBondContact N-OH 3.09Å; N1959-Y1964 WeakPolarHBondContact O-CE2 3.27Å; Y1964-L1978 HydrophobicContact CD1-CG 4.48Å; Y1964-L1979 CarbonylContact C-O 3.58Å; Y1964-L1979 WeakPolarHBondContact CA-O 2.53Å
1965	K	77.4	Confident	68.9	Low	88 Å²	88	65 Å²	65	38%	0.383	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	141.2	167.9	-70.3	-162.2	-176.6	-174.7	0	110.8	L1979 I2044	K1965-L1979 PolarHBondContact N-O 2.84Å; K1965-L1979 WeakPolarHBondContact O-CA 3.42Å; K1965-L1979 VanDerWaalsContact O-CB 3.27Å; K1965-L1979 WeakPolarHBondContact O-CB 3.13Å; K1965-L1979 PolarHBondContact O-N 3.01Å; K1965-I2044 HydrophobicContact CD-CD1 3.82Å
1966	I	76.7	Confident	68.8	Low	26 Å²	26	63 Å²	63	13%	0.133	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.1	171	-50.3	174	0	0	0	108.7	F1901 F1903 I1909 Y1977 L1978 L1993	F1901-I1966 HydrophobicContact CB-CD1 4.15Å; F1903-I1966 HydrophobicContact CB-CD1 3.95Å; F1903-I1966 HydrophobicContact CD2-CB 4.25Å; F1903-I1966 HydrophobicContact CD2-CD1 3.81Å; F1903-I1966 HydrophobicContact CD2-CG2 3.59Å; F1903-I1966 HydrophobicContact CE2-CG2 3.56Å; F1903-I1966 HydrophobicContact CG-CD1 4.3Å; I1909-I1966 HydrophobicContact CD1-CD1 3.88Å; I1966-Y1977 WeakPolarHBondContact CA-O 3.49Å; I1966-L1978 HydrophobicContact CG1-CD1 4.11Å; I1966-L1993 HydrophobicContact CG2-CD1 4.34Å
1967	I	75.3	Confident	68.9	Low	25 Å²	25	64.9 Å²	64.9	13%	0.128	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.2	171	-60.2	172.5	0	0	0	107.7	S1976 Y1977 L1979 W2000 M2065	I1967-S1976 WeakPolarHBondContact O-CA 3.27Å; I1967-S1976 WeakPolarHBondContact O-CB 3.35Å; I1967-Y1977 PolarHBondContact N-O 3.43Å; I1967-Y1977 PolarHBondContact O-N 3.09Å; I1967-L1979 HydrophobicContact CD1-CB 4Å; I1967-L1979 HydrophobicContact CD1-CD1 4.04Å; I1967-L1979 HydrophobicContact CD1-CD2 4.2Å; I1967-L1979 HydrophobicContact CD1-CG 4.31Å; I1967-L1979 HydrophobicContact CG1-CB 4.27Å; I1967-W2000 HydrophobicContact CD1-CH2 3.55Å; I1967-W2000 HydrophobicContact CD1-CZ2 3.73Å; I1967-M2065 HydrophobicContact CD1-CE 3.69Å
1968	Y	68.8	Low	69.2	Low	113 Å²	113	63.1 Å²	63.1	44%	0.443	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-79.1	127.3	169.8	-61.2	-85.5	0	0	0	108.9	F1903 N1904	F1903-Y1968 AromaticContact CD2-CE1 3.85Å; F1903-Y1968 HydrophobicContact CD2-CE1 3.85Å; F1903-Y1968 AromaticContact CE2-CD1 3.52Å; F1903-Y1968 HydrophobicContact CE2-CD1 3.52Å; F1903-Y1968 AromaticContact CE2-CE1 3.14Å; F1903-Y1968 HydrophobicContact CE2-CE1 3.14Å; F1903-Y1968 HydrophobicContact CE2-CG 4.5Å; F1903-Y1968 AromaticContact CE2-CZ 3.88Å; F1903-Y1968 AromaticContact CZ-CD1 3.78Å; F1903-Y1968 HydrophobicContact CZ-CD1 3.78Å; F1903-Y1968 AromaticContact CZ-CE1 3.66Å; F1903-Y1968 HydrophobicContact CZ-CE1 3.66Å; N1904-Y1968 VanDerWaalsContact OD1-CE1 3.3Å; N1904-Y1968 WeakPolarHBondContact OD1-CE1 3.33Å
1969	S	66.6	Low	69.6	Low	39 Å²	39	61.3 Å²	61.3	27%	0.273	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-74.6	147.6	163.9	-167	0	0	0	0	109.6	D1971 T1974	S1969-D1971 PolarHBondContact OG-N 2.67Å; S1969-T1974 WeakPolarHBondContact CB-OG1 3.32Å; S1969-T1974 PolarHBondContact OG-OG1 3.33Å
1970	S	60.2	Low	70.2	Confident	112 Å²	112	60.2 Å²	60.2	78%	0.783	33%	0.328	S	S	*	.	S	Bend	trans	-80.6	-23.3	171.6	52.2	0	0	0	0	113
1971	D	61.2	Low	70.9	Confident	99 Å²	99	55 Å²	55	53%	0.529	30%	0.304	S	S	.	.	S	Bend	trans	-87.8	118.4	-178.7	-70.3	-21	0	0	0	110	S1969 D1973 T1974	S1969-D1971 PolarHBondContact OG-N 2.67Å; D1971-D1973 PolarHBondContact O-N 3.47Å; D1971-T1974 HydrophobicContact CB-CG2 3.85Å; D1971-T1974 WeakPolarHBondContact CB-OG1 3.36Å; D1971-T1974 PolarHBondContact O-N 2.72Å; D1971-T1974 PolarHBondContact O-OG1 2.79Å
1972	P	56.5	Low	71.6	Confident	124 Å²	124	52.4 Å²	52.4	81%	0.805	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.5	-169.7	27.1	-36	0	0	0	114	T1974	P1972-T1974 VanDerWaalsContact C-N 3.29Å
1973	D	57	Low	71.9	Confident	158 Å²	158	51.8 Å²	51.8	85%	0.845	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-3.1	177.9	-57	-42.2	0	0	0	113	D1971	D1971-D1973 PolarHBondContact O-N 3.47Å
1974	T	57.1	Low	72	Confident	58 Å²	58	54.4 Å²	54.4	36%	0.356	30%	0.299	S	S	.	.	S	Bend	trans	-114.9	142.3	-174.7	68.3	0	0	0	0	111.8	S1969 D1971 P1972	S1969-T1974 WeakPolarHBondContact CB-OG1 3.32Å; S1969-T1974 PolarHBondContact OG-OG1 3.33Å; D1971-T1974 HydrophobicContact CB-CG2 3.85Å; D1971-T1974 WeakPolarHBondContact CB-OG1 3.36Å; D1971-T1974 PolarHBondContact O-N 2.72Å; D1971-T1974 PolarHBondContact O-OG1 2.79Å; P1972-T1974 VanDerWaalsContact C-N 3.29Å
1975	T	62.6	Low	72	Confident	30 Å²	30	57.8 Å²	57.8	18%	0.184	31%	0.312	C	S	.	.			trans	-70.2	148.7	-176.3	13.4	0	0	0	0	113.5	Y1977 N1992 L1993 L1994	T1975-Y1977 WeakPolarHBondContact O-CD1 3.16Å; T1975-Y1977 WeakPolarHBondContact O-CE1 2.57Å; T1975-N1992 WeakPolarHBondContact CB-OD1 3.43Å; T1975-N1992 PolarHBondContact OG1-OD1 3.17Å; T1975-L1993 HydrophobicContact CG2-CB 4.42Å; T1975-L1994 HydrophobicContact CG2-CB 3.65Å; T1975-L1994 HydrophobicContact CG2-CD1 3.87Å; T1975-L1994 HydrophobicContact CG2-CG 3.6Å
1976	S	75.1	Confident	71.8	Confident	18 Å²	18	54.8 Å²	54.8	13%	0.126	30%	0.302	C	S	.	.			trans	-63.6	152.6	159.2	36.2	0	0	0	0	111.3	F1903 I1967 L1993	F1903-S1976 WeakPolarHBondContact CE1-OG 3.49Å; F1903-S1976 VanDerWaalsContact CZ-CB 3.47Å; F1903-S1976 WeakPolarHBondContact CZ-OG 3.37Å; I1967-S1976 WeakPolarHBondContact O-CA 3.27Å; I1967-S1976 WeakPolarHBondContact O-CB 3.35Å; S1976-L1993 WeakPolarHBondContact O-CB 3.47Å; S1976-L1993 WeakPolarHBondContact O-CG 3.45Å; S1976-L1993 PolarHBondContact O-N 3.07Å
1977	Y	82.5	Confident	72.1	Confident	41 Å²	41	54.9 Å²	54.9	16%	0.161	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.2	-174.3	-48.3	-49.2	0	0	0	111.1	I1966 I1967 T1975 L1979 Y1991 I1999 W2000	I1966-Y1977 WeakPolarHBondContact CA-O 3.49Å; I1967-Y1977 PolarHBondContact N-O 3.43Å; I1967-Y1977 PolarHBondContact O-N 3.09Å; T1975-Y1977 WeakPolarHBondContact O-CD1 3.16Å; T1975-Y1977 WeakPolarHBondContact O-CE1 2.57Å; Y1977-L1979 PolarHBondContact O-N 3.38Å; Y1977-Y1991 WeakPolarHBondContact CA-O 3.01Å; Y1977-I1999 HydrophobicContact CD1-CD1 3.58Å; Y1977-I1999 HydrophobicContact CE1-CD1 3.22Å; Y1977-W2000 HydrophobicContact CD2-CZ2 4.3Å; Y1977-W2000 AromaticContact CD2-NE1 3.87Å; Y1977-W2000 AromaticContact CE2-NE1 3.91Å
1978	L	85.4	Confident	72.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	103.9	168.2	-175.7	67.1	0	0	0	108.7	M1930 I1956 Y1964 I1966 Y1991 L1993	M1930-L1978 HydrophobicContact CE-CD2 3.66Å; I1956-L1978 HydrophobicContact CD1-CD2 4.13Å; Y1964-L1978 HydrophobicContact CD1-CG 4.48Å; I1966-L1978 HydrophobicContact CG1-CD1 4.11Å; L1978-Y1991 PolarHBondContact N-O 3.24Å; L1978-Y1991 PolarHBondContact O-N 2.9Å; L1978-L1993 HydrophobicContact CB-CD2 4.17Å
1979	L	84.3	Confident	73.3	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	133.8	171.3	-167.2	74.9	0	0	0	109.5	Y1964 K1965 I1967 Y1977 F1988 V1989 A1990 W2000	Y1964-L1979 CarbonylContact C-O 3.58Å; Y1964-L1979 WeakPolarHBondContact CA-O 2.53Å; K1965-L1979 PolarHBondContact N-O 2.84Å; K1965-L1979 WeakPolarHBondContact O-CA 3.42Å; K1965-L1979 VanDerWaalsContact O-CB 3.27Å; K1965-L1979 WeakPolarHBondContact O-CB 3.13Å; K1965-L1979 PolarHBondContact O-N 3.01Å; I1967-L1979 HydrophobicContact CD1-CB 4Å; I1967-L1979 HydrophobicContact CD1-CD1 4.04Å; I1967-L1979 HydrophobicContact CD1-CD2 4.2Å; I1967-L1979 HydrophobicContact CD1-CG 4.31Å; I1967-L1979 HydrophobicContact CG1-CB 4.27Å; Y1977-L1979 PolarHBondContact O-N 3.38Å; L1979-F1988 HydrophobicContact CD1-CB 3.81Å; L1979-F1988 HydrophobicContact CD2-CD1 3.88Å; L1979-F1988 HydrophobicContact CD2-CG 4.44Å; L1979-F1988 HydrophobicContact CG-CB 4.27Å; L1979-F1988 HydrophobicContact CG-CD1 4.13Å; L1979-V1989 WeakPolarHBondContact CA-O 3.43Å; L1979-A1990 HydrophobicContact CD1-CB 4.36Å; L1979-W2000 HydrophobicContact CD1-CH2 3.52Å; L1979-W2000 HydrophobicContact CD1-CZ3 3.53Å
1980	G	82.6	Confident	74.3	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	174.9	168.2	0	0	0	0	0	112.1	F1988 V1989	G1980-F1988 CarbonylContact O-C 3.55Å; G1980-F1988 WeakPolarHBondContact O-CA 3.41Å; G1980-V1989 PolarHBondContact N-O 3.24Å; G1980-V1989 PolarHBondContact O-N 3.07Å
1981	L	80.9	Confident	75.4	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.037	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	144.7	171.4	-64	172.5	0	0	0	110.5	N1959 E1963 R1985 F1988 I2039	N1959-L1981 PolarHBondContact ND2-O 2.92Å; E1963-L1981 HydrophobicContact CB-CD1 4.25Å; E1963-L1981 HydrophobicContact CG-CD1 4.3Å; L1981-R1985 HydrophobicContact CB-CG 4.48Å; L1981-R1985 HydrophobicContact CD1-CG 4.23Å; L1981-F1988 HydrophobicContact CD2-CD1 3.79Å; L1981-F1988 HydrophobicContact CD2-CE1 3.55Å; L1981-F1988 HydrophobicContact CD2-CG 4.43Å; L1981-F1988 HydrophobicContact CD2-CZ 4Å; L1981-I2039 HydrophobicContact CD2-CB 4.41Å; L1981-I2039 HydrophobicContact CD2-CD1 3.6Å; L1981-I2039 HydrophobicContact CD2-CG2 4.31Å
1982	N	80.5	Confident	76.4	Confident	18 Å²	18	38.3 Å²	38.3	10%	0.096	21%	0.208	C	C	.	.			trans	-72.2	166.6	170.6	94.4	-73.6	0	0	0	111.8	T1984 R1985 S1986 H1987 V1989	N1982-T1984 PolarHBondContact ND2-N 2.88Å; N1982-T1984 VanDerWaalsContact ND2-N 3.11Å; N1982-T1984 PolarHBondContact ND2-OG1 3.35Å; N1982-T1984 PolarHBondContact O-N 3.21Å; N1982-T1984 VanDerWaalsContact O-N 3.07Å; N1982-R1985 PolarHBondContact O-N 3.02Å; N1982-R1985 PolarHBondContact OD1-N 3.47Å; N1982-S1986 PolarHBondContact OD1-N 3.5Å; N1982-S1986 PolarHBondContact OD1-OG 2.93Å; N1982-H1987 PolarHBondContact N-O 2.8Å; N1982-H1987 VanDerWaalsContact N-O 3.12Å; N1982-H1987 PolarHBondContact ND2-CE1 3.11Å; N1982-H1987 VanDerWaalsContact ND2-CE1 3.33Å; N1982-H1987 PolarHBondContact OD1-N 3.49Å; N1982-H1987 VanDerWaalsContact OD1-N 3.16Å; N1982-H1987 PolarHBondContact OD1-ND1 2.78Å; N1982-H1987 PolarHBondContact OD1-O 2.95Å; N1982-V1989 HydrophobicContact CB-CG2 3.63Å
1983	E	72.3	Confident	77.6	Confident	84 Å²	84	32.8 Å²	32.8	39%	0.393	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.6	-44.6	177	-71.1	179.7	-131.9	0	0	115.2	K1924 I1957	K1924-E1983 IonicContact NZ-OE2 2.69Å; K1924-E1983 PolarHBondContact NZ-OE2 2.98Å; I1957-E1983 HydrophobicContact CB-CG 4.37Å; I1957-E1983 HydrophobicContact CD1-CG 3.68Å; I1957-E1983 HydrophobicContact CG1-CG 3.59Å; I1957-E1983 HydrophobicContact CG2-CG 4.16Å
1984	T	71.5	Confident	78.6	Confident	85 Å²	85	29.5 Å²	29.5	52%	0.521	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	7.9	-176	60.5	0	0	0	0	113.5	N1982 S1986	N1982-T1984 PolarHBondContact ND2-N 2.88Å; N1982-T1984 VanDerWaalsContact ND2-N 3.11Å; N1982-T1984 PolarHBondContact ND2-OG1 3.35Å; N1982-T1984 PolarHBondContact O-N 3.21Å; N1982-T1984 VanDerWaalsContact O-N 3.07Å; T1984-S1986 PolarHBondContact O-N 2.85Å; T1984-S1986 PolarHBondContact OG1-OG 3.07Å
1985	R	77.3	Confident	79.6	Confident	85 Å²	85	30.1 Å²	30.1	32%	0.321	16%	0.155	S	C	.	.	S	Bend	trans	47.7	33.5	-175.1	-61.1	-178.4	168.4	-123.4	-13	113.3	N1959 E1963 L1981 N1982 T2038 I2039	N1959-R1985 PolarHBondContact OD1-NH2 3.11Å; E1963-R1985 IonicContact OE1-CZ 2.64Å; E1963-R1985 IonicContact OE1-NH1 3.99Å; E1963-R1985 PolarHBondContact OE1-NH1 3.06Å; E1963-R1985 IonicContact OE1-NH2 3.99Å; E1963-R1985 PolarHBondContact OE1-NH2 3.5Å; E1963-R1985 IonicContact OE2-CZ 2.75Å; E1963-R1985 IonicContact OE2-NH1 2.68Å; E1963-R1985 IonicContact OE2-NH2 3.05Å; E1963-R1985 PolarHBondContact OE2-NH2 3.17Å; L1981-R1985 HydrophobicContact CB-CG 4.48Å; L1981-R1985 HydrophobicContact CD1-CG 4.23Å; N1982-R1985 PolarHBondContact O-N 3.02Å; N1982-R1985 PolarHBondContact OD1-N 3.47Å; R1985-T2038 CarbonylContact O-C 3.57Å; R1985-T2038 WeakPolarHBondContact O-CA 3.39Å; R1985-I2039 WeakPolarHBondContact O-CB 3.37Å; R1985-I2039 VanDerWaalsContact O-CG1 3.26Å; R1985-I2039 WeakPolarHBondContact O-CG1 3.43Å; R1985-I2039 PolarHBondContact O-N 3.25Å
1986	S	74.1	Confident	80.2	Confident	25 Å²	25	29.1 Å²	29.1	18%	0.175	15%	0.151	C	C	.	.	S	Bend	trans	-102.1	-12.2	-175.7	61.6	0	0	0	0	113.9	N1982 T1984	N1982-S1986 PolarHBondContact OD1-N 3.5Å; N1982-S1986 PolarHBondContact OD1-OG 2.93Å; T1984-S1986 PolarHBondContact O-N 2.85Å; T1984-S1986 PolarHBondContact OG1-OG 3.07Å
1987	H	82.9	Confident	80.5	Confident	28 Å²	28	34.4 Å²	34.4	13%	0.13	17%	0.173	C	C	.	.	S	Bend	trans	-159.6	158.9	176.1	56.6	-79.4	0	0	0	111	N1982 L2002 K2003	N1982-H1987 PolarHBondContact N-O 2.8Å; N1982-H1987 VanDerWaalsContact N-O 3.12Å; N1982-H1987 PolarHBondContact ND2-CE1 3.11Å; N1982-H1987 VanDerWaalsContact ND2-CE1 3.33Å; N1982-H1987 PolarHBondContact OD1-N 3.49Å; N1982-H1987 VanDerWaalsContact OD1-N 3.16Å; N1982-H1987 PolarHBondContact OD1-ND1 2.78Å; N1982-H1987 PolarHBondContact OD1-O 2.95Å; H1987-L2002 WeakPolarHBondContact CA-O 3.37Å; H1987-L2002 VanDerWaalsContact CB-O 3.29Å; H1987-L2002 WeakPolarHBondContact CB-O 3.08Å; H1987-K2003 HydrophobicContact CB-CB 4.03Å; H1987-K2003 HydrophobicContact CB-CG 4.34Å
1988	F	83.7	Confident	80.4	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	147.8	170.2	-62.3	-93.5	0	0	0	110.7	L1979 G1980 L1981 R2001 L2002 I2039 F2042 L2051 V2053	L1979-F1988 HydrophobicContact CD1-CB 3.81Å; L1979-F1988 HydrophobicContact CD2-CD1 3.88Å; L1979-F1988 HydrophobicContact CD2-CG 4.44Å; L1979-F1988 HydrophobicContact CG-CB 4.27Å; L1979-F1988 HydrophobicContact CG-CD1 4.13Å; G1980-F1988 CarbonylContact O-C 3.55Å; G1980-F1988 WeakPolarHBondContact O-CA 3.41Å; L1981-F1988 HydrophobicContact CD2-CD1 3.79Å; L1981-F1988 HydrophobicContact CD2-CE1 3.55Å; L1981-F1988 HydrophobicContact CD2-CG 4.43Å; L1981-F1988 HydrophobicContact CD2-CZ 4Å; F1988-R2001 CarbonylContact O-C 3.6Å; F1988-R2001 VanDerWaalsContact O-CA 3.23Å; F1988-R2001 WeakPolarHBondContact O-CA 3.13Å; F1988-L2002 HydrophobicContact CB-CB 4.38Å; F1988-L2002 PolarHBondContact N-O 3.03Å; F1988-L2002 VanDerWaalsContact N-O 3.11Å; F1988-L2002 PolarHBondContact O-N 3.37Å; F1988-I2039 HydrophobicContact CD2-CD1 4.02Å; F1988-I2039 HydrophobicContact CE2-CD1 3.68Å; F1988-I2039 HydrophobicContact CZ-CD1 4.09Å; F1988-I2039 HydrophobicContact CZ-CG2 4.35Å; F1988-F2042 AromaticContact CE1-CD1 3.98Å; F1988-F2042 HydrophobicContact CE1-CD1 3.98Å; F1988-F2042 HydrophobicContact CE1-CD2 4.18Å; F1988-F2042 AromaticContact CE1-CE1 3.97Å; F1988-F2042 HydrophobicContact CE1-CE1 3.97Å; F1988-F2042 HydrophobicContact CE1-CE2 4.17Å; F1988-F2042 HydrophobicContact CE1-CG 4.09Å; F1988-F2042 HydrophobicContact CE1-CZ 4.07Å; F1988-F2042 HydrophobicContact CZ-CB 4Å; F1988-F2042 AromaticContact CZ-CD1 3.8Å; F1988-F2042 HydrophobicContact CZ-CD1 3.8Å; F1988-F2042 HydrophobicContact CZ-CD2 4.13Å; F1988-F2042 HydrophobicContact CZ-CE1 4.28Å; F1988-F2042 AromaticContact CZ-CG 3.72Å; F1988-F2042 HydrophobicContact CZ-CG 3.72Å; F1988-L2051 HydrophobicContact CD2-CD2 4.17Å; F1988-L2051 HydrophobicContact CE2-CD1 4.4Å; F1988-L2051 HydrophobicContact CE2-CD2 4.03Å; F1988-L2051 HydrophobicContact CZ-CD1 4.18Å; F1988-L2051 HydrophobicContact CZ-CD2 4.47Å; F1988-V2053 HydrophobicContact CE2-CG1 4.1Å; F1988-V2053 HydrophobicContact CE2-CG2 3.85Å; F1988-V2053 HydrophobicContact CZ-CG1 4.46Å; F1988-V2053 HydrophobicContact CZ-CG2 4.36Å
1989	V	85.8	Confident	80.2	Confident	6 Å²	6	39 Å²	39	4%	0.036	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.4	-177.1	-177.5	0	0	0	0	108.3	L1979 G1980 N1982 Y1991 V1998	L1979-V1989 WeakPolarHBondContact CA-O 3.43Å; G1980-V1989 PolarHBondContact N-O 3.24Å; G1980-V1989 PolarHBondContact O-N 3.07Å; N1982-V1989 HydrophobicContact CB-CG2 3.63Å; V1989-Y1991 HydrophobicContact CB-CE2 4.11Å; V1989-Y1991 HydrophobicContact CG1-CD2 4.02Å; V1989-Y1991 HydrophobicContact CG1-CE2 3.56Å; V1989-V1998 HydrophobicContact CG1-CB 4.2Å; V1989-V1998 HydrophobicContact CG1-CG1 3.6Å; V1989-V1998 HydrophobicContact CG1-CG2 3.52Å
1990	A	86.6	Confident	80.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	112.5	176.5	0	0	0	0	0	111.1	L1979 V1998 I1999 W2000	L1979-A1990 HydrophobicContact CD1-CB 4.36Å; A1990-V1998 WeakPolarHBondContact O-CA 3.49Å; A1990-I1999 PolarHBondContact O-N 2.77Å; A1990-W2000 HydrophobicContact CB-CD2 3.43Å; A1990-W2000 VanDerWaalsContact CB-CD2 3.43Å; A1990-W2000 HydrophobicContact CB-CE3 3.6Å; A1990-W2000 HydrophobicContact CB-CG 4.09Å; A1990-W2000 HydrophobicContact CB-CH2 3.82Å; A1990-W2000 HydrophobicContact CB-CZ2 3.62Å; A1990-W2000 HydrophobicContact CB-CZ3 3.77Å; A1990-W2000 PolarHBondContact N-O 2.82Å
1991	Y	84.1	Confident	80.3	Confident	17 Å²	17	48.7 Å²	48.7	7%	0.067	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135.4	175.4	-65.2	-97.1	0	0	0	110.7	F1955 I1956 Y1977 L1978 V1989 V1998	F1955-Y1991 WeakPolarHBondContact O-CE1 3.37Å; F1955-Y1991 PolarHBondContact O-OH 3.42Å; I1956-Y1991 HydrophobicContact CD1-CD1 4.23Å; I1956-Y1991 HydrophobicContact CD1-CG 4.27Å; I1956-Y1991 HydrophobicContact CG1-CD1 3.68Å; I1956-Y1991 HydrophobicContact CG1-CD2 4.11Å; I1956-Y1991 HydrophobicContact CG1-CE1 3.49Å; I1956-Y1991 VanDerWaalsContact CG1-CE1 3.49Å; I1956-Y1991 HydrophobicContact CG1-CE2 3.94Å; I1956-Y1991 HydrophobicContact CG1-CG 3.98Å; Y1977-Y1991 WeakPolarHBondContact CA-O 3.01Å; L1978-Y1991 PolarHBondContact N-O 3.24Å; L1978-Y1991 PolarHBondContact O-N 2.9Å; V1989-Y1991 HydrophobicContact CB-CE2 4.11Å; V1989-Y1991 HydrophobicContact CG1-CD2 4.02Å; V1989-Y1991 HydrophobicContact CG1-CE2 3.56Å; Y1991-V1998 HydrophobicContact CD1-CG2 3.86Å; Y1991-V1998 HydrophobicContact CE1-CG2 3.7Å; Y1991-V1998 HydrophobicContact CG-CG2 4.44Å
1992	N	82.6	Confident	80.3	Confident	16 Å²	16	48.9 Å²	48.9	9%	0.086	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	122.9	179.1	-171	4.3	0	0	0	111.9	T1975 L1994 N1995 G1996 Q1997 I1999	T1975-N1992 WeakPolarHBondContact CB-OD1 3.43Å; T1975-N1992 PolarHBondContact OG1-OD1 3.17Å; N1992-L1994 PolarHBondContact O-N 2.89Å; N1992-L1994 WeakPolarHBondContact OD1-CB 3.12Å; N1992-L1994 PolarHBondContact OD1-N 3.18Å; N1992-N1995 VanDerWaalsContact CB-OD1 3.27Å; N1992-N1995 WeakPolarHBondContact CB-OD1 3.27Å; N1992-N1995 PolarHBondContact ND2-OD1 2.84Å; N1992-G1996 VanDerWaalsContact O-CA 3.31Å; N1992-G1996 WeakPolarHBondContact O-CA 3.44Å; N1992-G1996 PolarHBondContact O-N 2.89Å; N1992-Q1997 WeakPolarHBondContact CB-O 3.22Å; N1992-Q1997 PolarHBondContact N-O 2.84Å; N1992-I1999 HydrophobicContact CB-CD1 3.6Å; N1992-I1999 HydrophobicContact CB-CG1 3.89Å
1993	L	80.4	Confident	80.3	Confident	9 Å²	9	54.3 Å²	54.3	5%	0.047	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-7.7	174.4	-62.5	178.1	0	0	0	113.7	I1909 M1930 I1932 R1949 I1966 T1975 S1976 L1978	I1909-L1993 HydrophobicContact CD1-CD1 3.72Å; I1909-L1993 HydrophobicContact CD1-CD2 3.88Å; I1909-L1993 HydrophobicContact CD1-CG 4.47Å; M1930-L1993 HydrophobicContact CE-CD2 3.95Å; M1930-L1993 HydrophobicContact SD-CD2 3.61Å; I1932-L1993 WeakPolarHBondContact CD1-O 3.41Å; R1949-L1993 PolarHBondContact NE-O 3.49Å; R1949-L1993 PolarHBondContact NH2-O 2.78Å; I1966-L1993 HydrophobicContact CG2-CD1 4.34Å; T1975-L1993 HydrophobicContact CG2-CB 4.42Å; S1976-L1993 WeakPolarHBondContact O-CB 3.47Å; S1976-L1993 WeakPolarHBondContact O-CG 3.45Å; S1976-L1993 PolarHBondContact O-N 3.07Å; L1978-L1993 HydrophobicContact CB-CD2 4.17Å
1994	L	78.5	Confident	80.4	Confident	88 Å²	88	50.6 Å²	50.6	46%	0.461	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-42.6	176	-122.8	171.9	0	0	0	113.5	T1975 N1992	T1975-L1994 HydrophobicContact CG2-CB 3.65Å; T1975-L1994 HydrophobicContact CG2-CD1 3.87Å; T1975-L1994 HydrophobicContact CG2-CG 3.6Å; N1992-L1994 PolarHBondContact O-N 2.89Å; N1992-L1994 WeakPolarHBondContact OD1-CB 3.12Å; N1992-L1994 PolarHBondContact OD1-N 3.18Å
1995	N	78.6	Confident	80.3	Confident	71 Å²	71	50.7 Å²	50.7	38%	0.38	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	7.4	-171.2	75.6	-5.5	0	0	0	114.9	N1992 Q1997	N1992-N1995 VanDerWaalsContact CB-OD1 3.27Å; N1992-N1995 WeakPolarHBondContact CB-OD1 3.27Å; N1992-N1995 PolarHBondContact ND2-OD1 2.84Å; N1995-Q1997 PolarHBondContact ND2-OE1 2.85Å; N1995-Q1997 PolarHBondContact O-N 2.83Å; N1995-Q1997 VanDerWaalsContact O-N 3.11Å; N1995-Q1997 WeakPolarHBondContact OD1-CB 3.33Å; N1995-Q1997 PolarHBondContact OD1-N 2.68Å; N1995-Q1997 VanDerWaalsContact OD1-N 3.14Å
1996	G	74.3	Confident	79.8	Confident	10 Å²	10	48.3 Å²	48.3	10%	0.103	23%	0.234	C	C	.	.	S	Bend	trans	74.7	-7.9	177	0	0	0	0	0	115.8	N1992	N1992-G1996 VanDerWaalsContact O-CA 3.31Å; N1992-G1996 WeakPolarHBondContact O-CA 3.44Å; N1992-G1996 PolarHBondContact O-N 2.89Å
1997	Q	80.8	Confident	79.1	Confident	129 Å²	129	50 Å²	50	60%	0.603	25%	0.246	S	C	*	.			trans	-77.5	151.3	-174.2	-62.6	175.7	-13.1	0	0	112.4	N1992 N1995 I1999	N1992-Q1997 WeakPolarHBondContact CB-O 3.22Å; N1992-Q1997 PolarHBondContact N-O 2.84Å; N1995-Q1997 PolarHBondContact ND2-OE1 2.85Å; N1995-Q1997 PolarHBondContact O-N 2.83Å; N1995-Q1997 VanDerWaalsContact O-N 3.11Å; N1995-Q1997 WeakPolarHBondContact OD1-CB 3.33Å; N1995-Q1997 PolarHBondContact OD1-N 2.68Å; N1995-Q1997 VanDerWaalsContact OD1-N 3.14Å; Q1997-I1999 PolarHBondContact O-N 2.73Å
1998	V	80.9	Confident	77.7	Confident	54 Å²	54	53.9 Å²	53.9	33%	0.327	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	117.1	170.1	174.9	0	0	0	0	109.4	V1989 A1990 Y1991 R2001	V1989-V1998 HydrophobicContact CG1-CB 4.2Å; V1989-V1998 HydrophobicContact CG1-CG1 3.6Å; V1989-V1998 HydrophobicContact CG1-CG2 3.52Å; A1990-V1998 WeakPolarHBondContact O-CA 3.49Å; Y1991-V1998 HydrophobicContact CD1-CG2 3.86Å; Y1991-V1998 HydrophobicContact CE1-CG2 3.7Å; Y1991-V1998 HydrophobicContact CG-CG2 4.44Å; V1998-R2001 HydrophobicContact CG1-CG 4.06Å
1999	I	82.6	Confident	76	Confident	83 Å²	83	56.7 Å²	56.7	43%	0.426	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-48.4	179.2	-61.2	169.3	0	0	0	110.7	Y1977 A1990 N1992 Q1997	Y1977-I1999 HydrophobicContact CD1-CD1 3.58Å; Y1977-I1999 HydrophobicContact CE1-CD1 3.22Å; A1990-I1999 PolarHBondContact O-N 2.77Å; N1992-I1999 HydrophobicContact CB-CD1 3.6Å; N1992-I1999 HydrophobicContact CB-CG1 3.89Å; Q1997-I1999 PolarHBondContact O-N 2.73Å
2000	W	83.1	Confident	74	Confident	39 Å²	39	60.8 Å²	60.8	15%	0.148	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	160.6	-176	52.2	-105.8	0	0	0	112.7	I1967 Y1977 L1979 A1990 L2002 M2065 L2068	I1967-W2000 HydrophobicContact CD1-CH2 3.55Å; I1967-W2000 HydrophobicContact CD1-CZ2 3.73Å; Y1977-W2000 HydrophobicContact CD2-CZ2 4.3Å; Y1977-W2000 AromaticContact CD2-NE1 3.87Å; Y1977-W2000 AromaticContact CE2-NE1 3.91Å; L1979-W2000 HydrophobicContact CD1-CH2 3.52Å; L1979-W2000 HydrophobicContact CD1-CZ3 3.53Å; A1990-W2000 HydrophobicContact CB-CD2 3.43Å; A1990-W2000 VanDerWaalsContact CB-CD2 3.43Å; A1990-W2000 HydrophobicContact CB-CE3 3.6Å; A1990-W2000 HydrophobicContact CB-CG 4.09Å; A1990-W2000 HydrophobicContact CB-CH2 3.82Å; A1990-W2000 HydrophobicContact CB-CZ2 3.62Å; A1990-W2000 HydrophobicContact CB-CZ3 3.77Å; A1990-W2000 PolarHBondContact N-O 2.82Å; W2000-L2002 HydrophobicContact CE3-CD1 4.25Å; W2000-L2002 HydrophobicContact CE3-CG 3.81Å; W2000-L2002 HydrophobicContact CH2-CD1 3.95Å; W2000-L2002 HydrophobicContact CH2-CG 4.41Å; W2000-L2002 HydrophobicContact CZ3-CB 4.37Å; W2000-L2002 HydrophobicContact CZ3-CD1 3.47Å; W2000-L2002 VanDerWaalsContact CZ3-CD1 3.47Å; W2000-L2002 HydrophobicContact CZ3-CG 3.51Å; W2000-M2065 HydrophobicContact CH2-CE 4.12Å; W2000-L2068 HydrophobicContact CD2-CD1 4.48Å; W2000-L2068 HydrophobicContact CD2-CD2 4.3Å; W2000-L2068 HydrophobicContact CG-CD1 4.38Å; W2000-L2068 HydrophobicContact CH2-CD2 3.96Å; W2000-L2068 HydrophobicContact CZ2-CD2 3.66Å; W2000-L2068 HydrophobicContact CZ3-CD2 4.44Å
2001	R	84.2	Confident	72	Confident	169 Å²	169	67.9 Å²	67.9	64%	0.638	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	117.3	179.8	-67.2	178.8	-179.6	179	0.5	109.3	F1988 V1998	F1988-R2001 CarbonylContact O-C 3.6Å; F1988-R2001 VanDerWaalsContact O-CA 3.23Å; F1988-R2001 WeakPolarHBondContact O-CA 3.13Å; V1998-R2001 HydrophobicContact CG1-CG 4.06Å
2002	L	82.4	Confident	70.1	Confident	10 Å²	10	75.8 Å²	75.8	5%	0.052	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	110.7	176.6	-73.4	173.9	0	0	0	109.8	H1987 F1988 W2000 L2051 M2065 L2068	H1987-L2002 WeakPolarHBondContact CA-O 3.37Å; H1987-L2002 VanDerWaalsContact CB-O 3.29Å; H1987-L2002 WeakPolarHBondContact CB-O 3.08Å; F1988-L2002 HydrophobicContact CB-CB 4.38Å; F1988-L2002 PolarHBondContact N-O 3.03Å; F1988-L2002 VanDerWaalsContact N-O 3.11Å; F1988-L2002 PolarHBondContact O-N 3.37Å; W2000-L2002 HydrophobicContact CE3-CD1 4.25Å; W2000-L2002 HydrophobicContact CE3-CG 3.81Å; W2000-L2002 HydrophobicContact CH2-CD1 3.95Å; W2000-L2002 HydrophobicContact CH2-CG 4.41Å; W2000-L2002 HydrophobicContact CZ3-CB 4.37Å; W2000-L2002 HydrophobicContact CZ3-CD1 3.47Å; W2000-L2002 VanDerWaalsContact CZ3-CD1 3.47Å; W2000-L2002 HydrophobicContact CZ3-CG 3.51Å; L2002-L2051 HydrophobicContact CD1-CD2 4.32Å; L2002-M2065 HydrophobicContact CD1-CE 4.04Å; L2002-M2065 HydrophobicContact CD1-SD 3.86Å; L2002-L2068 HydrophobicContact CD2-CB 4.28Å; L2002-L2068 VanDerWaalsContact CD2-O 3.25Å; L2002-L2068 WeakPolarHBondContact CD2-O 3.33Å
2003	K	80.1	Confident	68	Low	133 Å²	133	80.5 Å²	80.5	58%	0.578	39%	0.388	S	S	*	.			trans	-123.6	140.1	176.2	-170.6	-179.3	177.7	177.9	0	109.9	H1987	H1987-K2003 HydrophobicContact CB-CB 4.03Å; H1987-K2003 HydrophobicContact CB-CG 4.34Å
2004	P	73.8	Confident	65.7	Low	6 Å²	6	89 Å²	89	4%	0.039	43%	0.428	C	S	.	.			trans	-65.8	146.5	173.1	27.7	-37	0	0	0	111.4	F2006 Y2055 F2063	P2004-F2006 HydrophobicContact CB-CD1 4.46Å; P2004-F2006 HydrophobicContact CB-CE1 4.05Å; P2004-F2006 HydrophobicContact CB-CE2 4.17Å; P2004-F2006 HydrophobicContact CB-CZ 3.9Å; P2004-F2006 HydrophobicContact CG-CD2 4.17Å; P2004-F2006 HydrophobicContact CG-CE1 4.05Å; P2004-F2006 HydrophobicContact CG-CE2 3.44Å; P2004-F2006 VanDerWaalsContact CG-CE2 3.44Å; P2004-F2006 HydrophobicContact CG-CZ 3.37Å; P2004-F2006 PolarHBondContact O-N 2.82Å; P2004-Y2055 HydrophobicContact CB-CE2 4.25Å; P2004-Y2055 VanDerWaalsContact CD-OH 3.3Å; P2004-Y2055 WeakPolarHBondContact CD-OH 3.32Å; P2004-Y2055 HydrophobicContact CG-CD1 4.13Å; P2004-Y2055 HydrophobicContact CG-CD2 4.12Å; P2004-Y2055 HydrophobicContact CG-CE1 3.77Å; P2004-Y2055 HydrophobicContact CG-CE2 3.75Å; P2004-Y2055 HydrophobicContact CG-CG 4.3Å; P2004-F2063 HydrophobicContact CB-CZ 4.02Å
2005	D	70.3	Confident	63.7	Low	87 Å²	87	91.1 Å²	91.1	47%	0.465	44%	0.439	S	S	.	.			trans	-101.5	74.7	-179.2	-158.9	-17.1	0	0	0	110.2	S2007 I2008 Y2073	D2005-S2007 PolarHBondContact O-N 2.84Å; D2005-S2007 VanDerWaalsContact OD1-CB 3.24Å; D2005-S2007 WeakPolarHBondContact OD1-CB 3.44Å; D2005-S2007 PolarHBondContact OD1-OG 3.22Å; D2005-I2008 WeakPolarHBondContact O-CG1 3.37Å; D2005-I2008 PolarHBondContact O-N 3Å; D2005-Y2073 PolarHBondContact O-OH 2.96Å
2006	F	66.2	Low	61.5	Low	34 Å²	34	92.2 Å²	92.2	15%	0.149	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-61.8	-1.3	179	-58.9	-62.3	0	0	0	113.9	P2004 I2008 Y2009 S2037 Y2055 C2059 Y2073	P2004-F2006 HydrophobicContact CB-CD1 4.46Å; P2004-F2006 HydrophobicContact CB-CE1 4.05Å; P2004-F2006 HydrophobicContact CB-CE2 4.17Å; P2004-F2006 HydrophobicContact CB-CZ 3.9Å; P2004-F2006 HydrophobicContact CG-CD2 4.17Å; P2004-F2006 HydrophobicContact CG-CE1 4.05Å; P2004-F2006 HydrophobicContact CG-CE2 3.44Å; P2004-F2006 VanDerWaalsContact CG-CE2 3.44Å; P2004-F2006 HydrophobicContact CG-CZ 3.37Å; P2004-F2006 PolarHBondContact O-N 2.82Å; F2006-I2008 PolarHBondContact O-N 3.41Å; F2006-I2008 VanDerWaalsContact O-N 3.16Å; F2006-Y2009 PolarHBondContact O-N 2.96Å; F2006-S2037 WeakPolarHBondContact CE2-OG 3.18Å; F2006-Y2055 HydrophobicContact CZ-CD1 4.24Å; F2006-Y2055 HydrophobicContact CZ-CG 4.13Å; F2006-C2059 HydrophobicContact CE1-CB 4.39Å; F2006-Y2073 HydrophobicContact CD1-CE1 4.44Å
2007	S	60	Low	59.5	Low	61 Å²	61	99.1 Å²	99.1	43%	0.427	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-62.7	-17.7	175.7	70.6	0	0	0	0	113.8	D2005 K2013	D2005-S2007 PolarHBondContact O-N 2.84Å; D2005-S2007 VanDerWaalsContact OD1-CB 3.24Å; D2005-S2007 WeakPolarHBondContact OD1-CB 3.44Å; D2005-S2007 PolarHBondContact OD1-OG 3.22Å; S2007-K2013 PolarHBondContact O-NZ 2.92Å
2008	I	52.5	Low	57.2	Low	110 Å²	110	99.6 Å²	99.6	56%	0.564	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-93.3	16.1	-174.9	-37.3	172.5	0	0	0	112.7	D2005 F2006 P2010	D2005-I2008 WeakPolarHBondContact O-CG1 3.37Å; D2005-I2008 PolarHBondContact O-N 3Å; F2006-I2008 PolarHBondContact O-N 3.41Å; F2006-I2008 VanDerWaalsContact O-N 3.16Å; I2008-P2010 WeakPolarHBondContact O-CD 3.43Å
2009	Y	48.2	Very low	54.8	Low	58 Å²	58	103.9 Å²	103.9	23%	0.227	51%	0.513	C	S	.	.			trans	-91.7	95	159.8	-90.3	-86.2	0	0	0	109.4	F2006 E2011 Y2073	F2006-Y2009 PolarHBondContact O-N 2.96Å; Y2009-E2011 VanDerWaalsContact C-N 3.32Å; Y2009-Y2073 HydrophobicContact CD2-CE2 4.45Å; Y2009-Y2073 HydrophobicContact CE2-CD1 4.48Å; Y2009-Y2073 HydrophobicContact CE2-CD2 4.28Å; Y2009-Y2073 HydrophobicContact CE2-CE1 4.28Å; Y2009-Y2073 HydrophobicContact CE2-CE2 4.09Å; Y2009-Y2073 HydrophobicContact CE2-CG 4.49Å
2010	P	43.3	Very low	52.7	Low	93 Å²	93	108.2 Å²	108.2	60%	0.604	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-71.9	-27.6	178.9	29.8	-35.5	0	0	0	112.5	I2008 Y2012 K2013	I2008-P2010 WeakPolarHBondContact O-CD 3.43Å; P2010-Y2012 PolarHBondContact O-N 2.84Å; P2010-Y2012 VanDerWaalsContact O-N 3.14Å; P2010-K2013 PolarHBondContact O-N 3.41Å
2011	E	44.2	Very low	50.2	Low	149 Å²	149	115.4 Å²	115.4	70%	0.696	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-68.6	-14.1	-171.6	-57.9	-176.6	154.1	0	0	114	Y2009	Y2009-E2011 VanDerWaalsContact C-N 3.32Å
2012	Y	44.6	Very low	47.8	Very low	182 Å²	182	118 Å²	118	71%	0.714	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-106.4	8.1	172.7	-83.7	-78.7	0	0	0	114.2	P2010	P2010-Y2012 PolarHBondContact O-N 2.84Å; P2010-Y2012 VanDerWaalsContact O-N 3.14Å
2013	K	39.2	Very low	45.5	Very low	116 Å²	116	123.5 Å²	123.5	50%	0.504	61%	0.609	S	S	.	*	S	Bend	trans	-106.9	111.6	173	-79.4	175.2	178.5	164.8	0	110.7	S2007 P2010 N2015	S2007-K2013 PolarHBondContact O-NZ 2.92Å; P2010-K2013 PolarHBondContact O-N 3.41Å; K2013-N2015 PolarHBondContact O-N 3.42Å
2014	E	32	Very low	43.1	Very low	187 Å²	187	123.4 Å²	123.4	87%	0.874	62%	0.622	S	S	*	*			trans	-50.8	99.1	172.5	-64.1	174.1	124.4	0	0	111.6
2015	N	36.9	Very low	41.3	Very low	133 Å²	133	128 Å²	128	71%	0.711	65%	0.654	S	S	*	*			trans	-133.1	92.5	159.2	-70.7	-83.7	0	0	0	106.2	K2013	K2013-N2015 PolarHBondContact O-N 3.42Å
2016	S	32.5	Very low	39.7	Very low	94 Å²	94	131.7 Å²	131.7	66%	0.657	67%	0.672	S	S	*	*				57.3	93	80.1	81.7	0	0	0	0	112.2
2017	L	31.8	Very low	38.2	Very low	154 Å²	154	138.1 Å²	138.1	81%	0.806	70%	0.703	S	S	*	*				176.8	120.8	120.9	-90.9	160	0	0	0	111.6
2018	L	32.7	Very low	36.9	Very low	140 Å²	140	143.7 Å²	143.7	73%	0.733	72%	0.722	S	S	*	*			trans	70.9	122.7	149.2	-57.9	168.4	0	0	0	120.8
2019	N	30.2	Very low	36	Very low	144 Å²	144	147.6 Å²	147.6	77%	0.77	74%	0.735	S	S	*	*			trans	66.2	81.6	143.9	-58.8	-14	0	0	0	119.7
2020	I	37.8	Very low	35.3	Very low	174 Å²	174	148.7 Å²	148.7	89%	0.892	75%	0.751	S	S	*	*				-157	146	118.6	-96.9	146.2	0	0	0	108.2
2021	K	31.5	Very low	35	Very low	190 Å²	190	151 Å²	151	83%	0.826	76%	0.758	S	S	*	*			trans	-87.4	127.8	-178.2	-59.5	173.9	-179.5	177.4	0	110.5
2022	Y	33.9	Very low	34.9	Very low	222 Å²	222	147.6 Å²	147.6	87%	0.871	75%	0.751	S	S	*	*			trans	-168.6	154.4	137.3	-106.7	-70.9	0	0	0	111.8
2023	D	33.8	Very low	35	Very low	126 Å²	126	146.5 Å²	146.5	67%	0.674	75%	0.747	S	S	*	*			trans	0.7	127.1	-175.9	-69.2	-59.4	0	0	0	123.5	S2025	D2023-S2025 PolarHBondContact O-N 2.83Å
2024	P	30.6	Very low	35.4	Very low	132 Å²	132	146 Å²	146	86%	0.857	75%	0.749	S	S	*	*			trans	-92.3	91.1	172.6	36	-31.7	0	0	0	113
2025	S	34.8	Very low	36.4	Very low	101 Å²	101	145.5 Å²	145.5	71%	0.706	74%	0.744	S	S	*	*			trans	-147.8	35.9	175.2	60.2	0	0	0	0	117.9	D2023	D2023-S2025 PolarHBondContact O-N 2.83Å
2026	I	38	Very low	37.3	Very low	165 Å²	165	146 Å²	146	85%	0.846	75%	0.746	S	S	*	*			trans	-137.7	119.2	155.1	-75.3	100.1	0	0	0	109.1
2027	Q	33.4	Very low	38.7	Very low	170 Å²	170	142 Å²	142	79%	0.794	72%	0.719	S	S	*	*			trans	-146.5	153.9	165.2	-79.5	-163.2	-18.1	0	0	111.1
2028	Q	32.9	Very low	40.6	Very low	178 Å²	178	137.8 Å²	137.8	83%	0.832	70%	0.699	S	S	*	*	S	Bend	trans	62.7	86.1	169.4	-56.3	178.6	17.9	0	0	117.9
2029	K	33.5	Very low	42.7	Very low	192 Å²	192	131.5 Å²	131.5	84%	0.835	67%	0.666	S	S	*	*			trans	171	81.5	131	-94.7	168.3	-178.3	-177.7	0	112.9
2030	S	32.8	Very low	44.9	Very low	81 Å²	81	129.1 Å²	129.1	57%	0.566	65%	0.65	S	S	*	*			trans	-143.8	-1	178.5	46.9	0	0	0	0	116.5
2031	N	37.9	Very low	46.9	Very low	141 Å²	141	125.5 Å²	125.5	75%	0.754	63%	0.628	S	S	*	*	S	Bend	trans	-91.8	10.4	-174.6	-77.2	-16.5	0	0	0	116
2032	S	43.2	Very low	49.4	Very low	78 Å²	78	118.6 Å²	118.6	55%	0.545	60%	0.598	S	S	.	*	S	Bend	trans	-97.5	-36.5	-177.2	50.4	0	0	0	0	114.8	L2034 K2035	S2032-L2034 PolarHBondContact O-N 3.32Å; S2032-K2035 PolarHBondContact O-N 3.32Å
2033	Y	45.8	Very low	51.8	Low	159 Å²	159	109.8 Å²	109.8	62%	0.624	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-61.6	-38.2	-167.6	-72.8	-81.9	0	0	0	114	K2035	Y2033-K2035 PolarHBondContact O-N 2.89Å; Y2033-K2035 VanDerWaalsContact O-N 3.1Å
2034	L	48.3	Very low	54.3	Low	104 Å²	104	105.2 Å²	105.2	55%	0.545	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-69.1	-2.9	-179.4	-77.7	166	0	0	0	115.6	S2032	S2032-L2034 PolarHBondContact O-N 3.32Å
2035	K	52.7	Low	56.8	Low	178 Å²	178	99 Å²	99	77%	0.774	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-88.2	-21.6	-177.9	-75.8	-170.9	174.2	-177.4	0	115.1	S2032 Y2033	S2032-K2035 PolarHBondContact O-N 3.32Å; Y2033-K2035 PolarHBondContact O-N 2.89Å; Y2033-K2035 VanDerWaalsContact O-N 3.1Å
2036	N	55.5	Low	58.7	Low	142 Å²	142	96.3 Å²	96.3	76%	0.759	49%	0.489	S	S	*	.			trans	-117.2	28.9	-172.1	-70.2	5.6	0	0	0	113.5	T2038	N2036-T2038 PolarHBondContact O-N 2.92Å; N2036-T2038 VanDerWaalsContact O-N 3.13Å
2037	S	62.4	Low	60.7	Low	12 Å²	12	91.3 Å²	91.3	8%	0.084	46%	0.464	C	S	.	.			trans	-66.2	107.6	178	60.2	0	0	0	0	111.7	F2006	F2006-S2037 WeakPolarHBondContact CE2-OG 3.18Å
2038	T	72.1	Confident	62.8	Low	65 Å²	65	86.5 Å²	86.5	40%	0.399	44%	0.442	S	S	.	.			trans	-95	152.8	174	56.3	0	0	0	0	111.6	R1985 N2036 E2040 Y2055 S2056	R1985-T2038 CarbonylContact O-C 3.57Å; R1985-T2038 WeakPolarHBondContact O-CA 3.39Å; N2036-T2038 PolarHBondContact O-N 2.92Å; N2036-T2038 VanDerWaalsContact O-N 3.13Å; T2038-E2040 PolarHBondContact O-N 3.2Å; T2038-Y2055 WeakPolarHBondContact O-CA 3.31Å; T2038-S2056 PolarHBondContact O-N 3.24Å
2039	I	75.9	Confident	65.2	Low	8 Å²	8	79 Å²	79	4%	0.041	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	112.1	174.5	-64.3	161.5	0	0	0	107.9	L1981 R1985 F1988 F2042 V2053 S2054 Y2055	L1981-I2039 HydrophobicContact CD2-CB 4.41Å; L1981-I2039 HydrophobicContact CD2-CD1 3.6Å; L1981-I2039 HydrophobicContact CD2-CG2 4.31Å; R1985-I2039 WeakPolarHBondContact O-CB 3.37Å; R1985-I2039 VanDerWaalsContact O-CG1 3.26Å; R1985-I2039 WeakPolarHBondContact O-CG1 3.43Å; R1985-I2039 PolarHBondContact O-N 3.25Å; F1988-I2039 HydrophobicContact CD2-CD1 4.02Å; F1988-I2039 HydrophobicContact CE2-CD1 3.68Å; F1988-I2039 HydrophobicContact CZ-CD1 4.09Å; F1988-I2039 HydrophobicContact CZ-CG2 4.35Å; I2039-F2042 HydrophobicContact CG2-CD1 4.25Å; I2039-V2053 HydrophobicContact CB-CG1 4.3Å; I2039-V2053 HydrophobicContact CG1-CG1 3.88Å; I2039-V2053 HydrophobicContact CG2-CG1 3.66Å; I2039-S2054 WeakPolarHBondContact CA-O 3.19Å; I2039-Y2055 HydrophobicContact CD1-CE1 4.06Å; I2039-Y2055 WeakPolarHBondContact CD1-OH 3.16Å; I2039-Y2055 HydrophobicContact CG1-CD1 4.02Å; I2039-Y2055 HydrophobicContact CG1-CE1 3.35Å; I2039-Y2055 HydrophobicContact CG1-CE2 4.33Å
2040	E	76.5	Confident	67.7	Low	93 Å²	93	69.8 Å²	69.8	44%	0.435	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-44.9	179.4	-63.7	-178.2	167.3	0	0	111.6	T2038 S2054 S2056	T2038-E2040 PolarHBondContact O-N 3.2Å; E2040-S2054 PolarHBondContact N-O 3.03Å; E2040-S2056 VanDerWaalsContact OE1-CA 3.31Å; E2040-S2056 WeakPolarHBondContact OE1-CA 3.24Å
2041	K	79.4	Confident	70.3	Confident	99 Å²	99	66 Å²	66	43%	0.43	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	154.9	178.2	-74.8	-164.7	173.3	-151.1	0	110.8	S2054 L2113 S2114	K2041-S2054 PolarHBondContact O-N 3.08Å; K2041-L2113 HydrophobicContact CB-CB 4.34Å; K2041-L2113 WeakPolarHBondContact CD-O 3.44Å; K2041-S2114 PolarHBondContact NZ-O 2.95Å
2042	F	83.8	Confident	72.6	Confident	44 Å²	44	59.2 Å²	59.2	19%	0.193	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	148	170.2	64.5	-85.3	0	0	0	112.4	F1988 I2039 I2044 L2051 I2052 V2053	F1988-F2042 AromaticContact CE1-CD1 3.98Å; F1988-F2042 HydrophobicContact CE1-CD1 3.98Å; F1988-F2042 HydrophobicContact CE1-CD2 4.18Å; F1988-F2042 AromaticContact CE1-CE1 3.97Å; F1988-F2042 HydrophobicContact CE1-CE1 3.97Å; F1988-F2042 HydrophobicContact CE1-CE2 4.17Å; F1988-F2042 HydrophobicContact CE1-CG 4.09Å; F1988-F2042 HydrophobicContact CE1-CZ 4.07Å; F1988-F2042 HydrophobicContact CZ-CB 4Å; F1988-F2042 AromaticContact CZ-CD1 3.8Å; F1988-F2042 HydrophobicContact CZ-CD1 3.8Å; F1988-F2042 HydrophobicContact CZ-CD2 4.13Å; F1988-F2042 HydrophobicContact CZ-CE1 4.28Å; F1988-F2042 AromaticContact CZ-CG 3.72Å; F1988-F2042 HydrophobicContact CZ-CG 3.72Å; I2039-F2042 HydrophobicContact CG2-CD1 4.25Å; F2042-I2044 HydrophobicContact CD2-CD1 3.99Å; F2042-I2044 HydrophobicContact CD2-CG1 4.24Å; F2042-I2044 HydrophobicContact CE2-CD1 3.9Å; F2042-L2051 HydrophobicContact CB-CD1 3.96Å; F2042-L2051 HydrophobicContact CD2-CD1 3.92Å; F2042-L2051 HydrophobicContact CG-CD1 4.31Å; F2042-I2052 CarbonylContact C-O 3.59Å; F2042-I2052 WeakPolarHBondContact CA-O 3.21Å; F2042-I2052 WeakPolarHBondContact CB-O 3.49Å; F2042-V2053 HydrophobicContact CB-CG1 4.33Å; F2042-V2053 HydrophobicContact CB-CG2 4.25Å
2043	L	85	Confident	74.6	Confident	37 Å²	37	55.5 Å²	55.5	19%	0.194	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	146	169.8	-66	-178.2	0	0	0	109.3	L2051 I2052 I2118 L2125	L2043-L2051 CarbonylContact O-C 3.57Å; L2043-L2051 WeakPolarHBondContact O-CA 3.41Å; L2043-I2052 HydrophobicContact CB-CB 4.5Å; L2043-I2052 PolarHBondContact N-O 2.71Å; L2043-I2052 PolarHBondContact O-N 3.46Å; L2043-I2118 HydrophobicContact CB-CG2 4.23Å; L2043-I2118 HydrophobicContact CD1-CB 4.2Å; L2043-I2118 HydrophobicContact CD1-CG2 4.38Å; L2043-L2125 HydrophobicContact CD1-CD1 3.68Å
2044	I	85	Confident	76.4	Confident	30 Å²	30	48.1 Å²	48.1	15%	0.154	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.7	171.2	-67.7	162.1	0	0	0	107.1	K1965 F2042 Q2048 I2050 L2051	K1965-I2044 HydrophobicContact CD-CD1 3.82Å; F2042-I2044 HydrophobicContact CD2-CD1 3.99Å; F2042-I2044 HydrophobicContact CD2-CG1 4.24Å; F2042-I2044 HydrophobicContact CE2-CD1 3.9Å; I2044-Q2048 HydrophobicContact CG2-CB 4.39Å; I2044-Q2048 HydrophobicContact CG2-CG 4.4Å; I2044-I2050 WeakPolarHBondContact CA-O 3.37Å; I2044-L2051 HydrophobicContact CD1-CD1 4.04Å; I2044-L2051 HydrophobicContact CG1-CB 4.17Å; I2044-L2051 HydrophobicContact CG1-CD1 3.53Å; I2044-L2051 HydrophobicContact CG1-CG 4.43Å
2045	S	84.7	Confident	77.6	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.014	23%	0.225	C	C	.	.			trans	-62.1	154.2	176.9	59.8	0	0	0	0	111.5	N2047 Q2048 S2049 I2050	S2045-N2047 VanDerWaalsContact C-N 3.25Å; S2045-N2047 WeakPolarHBondContact CB-OD1 3.21Å; S2045-N2047 PolarHBondContact O-N 3.34Å; S2045-N2047 PolarHBondContact OG-OD1 3.32Å; S2045-Q2048 WeakPolarHBondContact O-CA 3.49Å; S2045-Q2048 PolarHBondContact O-N 2.98Å; S2045-S2049 PolarHBondContact OG-N 2.88Å; S2045-S2049 VanDerWaalsContact OG-N 3.13Å; S2045-S2049 PolarHBondContact OG-OG 2.9Å; S2045-I2050 PolarHBondContact N-O 2.78Å; S2045-I2050 PolarHBondContact OG-N 2.95Å; S2045-I2050 VanDerWaalsContact OG-N 3.08Å; S2045-I2050 PolarHBondContact OG-O 2.75Å
2046	G	74.6	Confident	78.2	Confident	44 Å²	44	36.7 Å²	36.7	45%	0.454	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.6	-178.3	0	0	0	0	0	113.5	Q2048 Y2120	G2046-Q2048 PolarHBondContact O-N 3.33Å; G2046-Y2120 PolarHBondContact N-O 3.48Å
2047	N	79	Confident	78.4	Confident	61 Å²	61	34.7 Å²	34.7	33%	0.326	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	5.7	171.9	71.3	0.1	0	0	0	114.7	S2045 S2049 Y2120 D2121	S2045-N2047 VanDerWaalsContact C-N 3.25Å; S2045-N2047 WeakPolarHBondContact CB-OD1 3.21Å; S2045-N2047 PolarHBondContact O-N 3.34Å; S2045-N2047 PolarHBondContact OG-OD1 3.32Å; N2047-S2049 PolarHBondContact ND2-OG 2.97Å; N2047-S2049 PolarHBondContact O-N 3.03Å; N2047-S2049 VanDerWaalsContact OD1-CB 3.3Å; N2047-S2049 WeakPolarHBondContact OD1-CB 3.43Å; N2047-S2049 PolarHBondContact OD1-N 3.49Å; N2047-S2049 PolarHBondContact OD1-OG 3.45Å; N2047-Y2120 HydrophobicContact CB-CD1 4.46Å; N2047-Y2120 HydrophobicContact CB-CE1 4.07Å; N2047-Y2120 PolarHBondContact N-O 2.94Å; N2047-Y2120 PolarHBondContact OD1-O 2.88Å; N2047-D2121 WeakPolarHBondContact ND2-CA 3.46Å; N2047-D2121 PolarHBondContact ND2-O 3.42Å
2048	Q	78.6	Confident	78.2	Confident	68 Å²	68	40.9 Å²	40.9	32%	0.318	22%	0.218	S	C	.	.	S	Bend	trans	55.9	9	-174.9	-54	-168.4	1.6	0	0	116.5	I2044 S2045 G2046 M2065	I2044-Q2048 HydrophobicContact CG2-CB 4.39Å; I2044-Q2048 HydrophobicContact CG2-CG 4.4Å; S2045-Q2048 WeakPolarHBondContact O-CA 3.49Å; S2045-Q2048 PolarHBondContact O-N 2.98Å; G2046-Q2048 PolarHBondContact O-N 3.33Å; Q2048-M2065 VanDerWaalsContact O-CB 3.24Å; Q2048-M2065 WeakPolarHBondContact O-CB 3.45Å; Q2048-M2065 WeakPolarHBondContact O-CG 3.36Å
2049	S	82	Confident	78.1	Confident	20 Å²	20	38.4 Å²	38.4	14%	0.14	20%	0.203	C	C	.	.			trans	-70.1	-33.4	-176.1	67.5	0	0	0	0	114.7	S2045 N2047 M2065 D2121	S2045-S2049 PolarHBondContact OG-N 2.88Å; S2045-S2049 VanDerWaalsContact OG-N 3.13Å; S2045-S2049 PolarHBondContact OG-OG 2.9Å; N2047-S2049 PolarHBondContact ND2-OG 2.97Å; N2047-S2049 PolarHBondContact O-N 3.03Å; N2047-S2049 VanDerWaalsContact OD1-CB 3.3Å; N2047-S2049 WeakPolarHBondContact OD1-CB 3.43Å; N2047-S2049 PolarHBondContact OD1-N 3.49Å; N2047-S2049 PolarHBondContact OD1-OG 3.45Å; S2049-M2065 PolarHBondContact O-N 2.81Å; S2049-D2121 PolarHBondContact OG-O 2.76Å
2050	I	86.3	Confident	78.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.2	-178.4	-75	-176.5	0	0	0	111	I2044 S2045 I2052 V2062 F2063 L2064 I2118 H2148	I2044-I2050 WeakPolarHBondContact CA-O 3.37Å; S2045-I2050 PolarHBondContact N-O 2.78Å; S2045-I2050 PolarHBondContact OG-N 2.95Å; S2045-I2050 VanDerWaalsContact OG-N 3.08Å; S2045-I2050 PolarHBondContact OG-O 2.75Å; I2050-I2052 HydrophobicContact CG2-CD1 4.26Å; I2050-I2052 HydrophobicContact CG2-CG1 3.67Å; I2050-V2062 HydrophobicContact CG2-CG1 3.96Å; I2050-F2063 WeakPolarHBondContact CA-O 3.35Å; I2050-L2064 HydrophobicContact CD1-CD1 4.24Å; I2050-L2064 HydrophobicContact CG1-CD1 3.7Å; I2050-I2118 HydrophobicContact CG2-CD1 4.1Å; I2050-H2148 VanDerWaalsContact CD1-NE2 3.29Å; I2050-H2148 WeakPolarHBondContact CD1-NE2 3.48Å
2051	L	87.4	Confident	78.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.7	169.7	162.2	66.9	0	0	0	108.1	F1988 L2002 F2042 L2043 I2044 V2053 F2063 M2065	F1988-L2051 HydrophobicContact CD2-CD2 4.17Å; F1988-L2051 HydrophobicContact CE2-CD1 4.4Å; F1988-L2051 HydrophobicContact CE2-CD2 4.03Å; F1988-L2051 HydrophobicContact CZ-CD1 4.18Å; F1988-L2051 HydrophobicContact CZ-CD2 4.47Å; L2002-L2051 HydrophobicContact CD1-CD2 4.32Å; F2042-L2051 HydrophobicContact CB-CD1 3.96Å; F2042-L2051 HydrophobicContact CD2-CD1 3.92Å; F2042-L2051 HydrophobicContact CG-CD1 4.31Å; L2043-L2051 CarbonylContact O-C 3.57Å; L2043-L2051 WeakPolarHBondContact O-CA 3.41Å; I2044-L2051 HydrophobicContact CD1-CD1 4.04Å; I2044-L2051 HydrophobicContact CG1-CB 4.17Å; I2044-L2051 HydrophobicContact CG1-CD1 3.53Å; I2044-L2051 HydrophobicContact CG1-CG 4.43Å; L2051-V2053 HydrophobicContact CD1-CG2 3.75Å; L2051-V2053 HydrophobicContact CD2-CG2 4.2Å; L2051-V2053 HydrophobicContact CG-CG2 3.67Å; L2051-F2063 HydrophobicContact CB-CB 4.18Å; L2051-F2063 HydrophobicContact CD2-CB 4.38Å; L2051-F2063 HydrophobicContact CD2-CD2 4.49Å; L2051-F2063 HydrophobicContact CG-CB 4.39Å; L2051-F2063 HydrophobicContact CG-CD2 4.4Å; L2051-F2063 PolarHBondContact N-O 2.83Å; L2051-F2063 PolarHBondContact O-N 3.43Å; L2051-M2065 HydrophobicContact CB-CG 3.97Å; L2051-M2065 HydrophobicContact CB-SD 3.61Å; L2051-M2065 HydrophobicContact CD2-SD 3.71Å; L2051-M2065 HydrophobicContact CG-SD 4.31Å
2052	I	87.4	Confident	79	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.8	176	-49.8	-176.8	0	0	0	108.3	F2042 L2043 I2050 V2060 C2061 L2113 I2118 L2125 L2144	F2042-I2052 CarbonylContact C-O 3.59Å; F2042-I2052 WeakPolarHBondContact CA-O 3.21Å; F2042-I2052 WeakPolarHBondContact CB-O 3.49Å; L2043-I2052 HydrophobicContact CB-CB 4.5Å; L2043-I2052 PolarHBondContact N-O 2.71Å; L2043-I2052 PolarHBondContact O-N 3.46Å; I2050-I2052 HydrophobicContact CG2-CD1 4.26Å; I2050-I2052 HydrophobicContact CG2-CG1 3.67Å; I2052-V2060 HydrophobicContact CG2-CG1 3.55Å; I2052-C2061 CarbonylContact C-O 3.56Å; I2052-C2061 WeakPolarHBondContact CA-O 3.21Å; I2052-L2113 HydrophobicContact CG2-CD1 4.1Å; I2052-I2118 HydrophobicContact CD1-CD1 3.69Å; I2052-I2118 HydrophobicContact CG1-CD1 4.2Å; I2052-L2125 HydrophobicContact CD1-CB 4.29Å; I2052-L2125 HydrophobicContact CD1-CD1 4.33Å; I2052-L2125 HydrophobicContact CD1-CD2 4.09Å; I2052-L2125 HydrophobicContact CD1-CG 4.48Å; I2052-L2144 HydrophobicContact CD1-CD1 3.6Å
2053	V	85.1	Confident	79.1	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	127.7	-168.8	-165.9	0	0	0	0	111.1	F1988 I2039 F2042 L2051 Y2055 V2060 C2061 F2063	F1988-V2053 HydrophobicContact CE2-CG1 4.1Å; F1988-V2053 HydrophobicContact CE2-CG2 3.85Å; F1988-V2053 HydrophobicContact CZ-CG1 4.46Å; F1988-V2053 HydrophobicContact CZ-CG2 4.36Å; I2039-V2053 HydrophobicContact CB-CG1 4.3Å; I2039-V2053 HydrophobicContact CG1-CG1 3.88Å; I2039-V2053 HydrophobicContact CG2-CG1 3.66Å; F2042-V2053 HydrophobicContact CB-CG1 4.33Å; F2042-V2053 HydrophobicContact CB-CG2 4.25Å; L2051-V2053 HydrophobicContact CD1-CG2 3.75Å; L2051-V2053 HydrophobicContact CD2-CG2 4.2Å; L2051-V2053 HydrophobicContact CG-CG2 3.67Å; V2053-Y2055 HydrophobicContact CB-CD2 4.01Å; V2053-Y2055 HydrophobicContact CB-CE2 3.61Å; V2053-Y2055 HydrophobicContact CG1-CD2 3.73Å; V2053-Y2055 HydrophobicContact CG1-CE2 3.29Å; V2053-Y2055 HydrophobicContact CG2-CE2 4.39Å; V2053-V2060 WeakPolarHBondContact O-CA 3.47Å; V2053-C2061 PolarHBondContact N-O 3Å; V2053-C2061 PolarHBondContact O-N 2.77Å; V2053-F2063 HydrophobicContact CB-CE2 4.17Å; V2053-F2063 HydrophobicContact CG2-CD2 3.79Å; V2053-F2063 HydrophobicContact CG2-CE2 3.71Å
2054	S	82.6	Confident	79.2	Confident	3 Å²	3	25.5 Å²	25.5	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118.2	171.1	-161	0	0	0	0	109.6	I2039 E2040 K2041	I2039-S2054 WeakPolarHBondContact CA-O 3.19Å; E2040-S2054 PolarHBondContact N-O 3.03Å; K2041-S2054 PolarHBondContact O-N 3.08Å
2055	Y	74.4	Confident	79	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	97.1	179.5	-83.3	-84.8	0	0	0	109.9	P2004 F2006 T2038 I2039 V2053 C2059 C2061 F2063	P2004-Y2055 HydrophobicContact CB-CE2 4.25Å; P2004-Y2055 VanDerWaalsContact CD-OH 3.3Å; P2004-Y2055 WeakPolarHBondContact CD-OH 3.32Å; P2004-Y2055 HydrophobicContact CG-CD1 4.13Å; P2004-Y2055 HydrophobicContact CG-CD2 4.12Å; P2004-Y2055 HydrophobicContact CG-CE1 3.77Å; P2004-Y2055 HydrophobicContact CG-CE2 3.75Å; P2004-Y2055 HydrophobicContact CG-CG 4.3Å; F2006-Y2055 HydrophobicContact CZ-CD1 4.24Å; F2006-Y2055 HydrophobicContact CZ-CG 4.13Å; T2038-Y2055 WeakPolarHBondContact O-CA 3.31Å; I2039-Y2055 HydrophobicContact CD1-CE1 4.06Å; I2039-Y2055 WeakPolarHBondContact CD1-OH 3.16Å; I2039-Y2055 HydrophobicContact CG1-CD1 4.02Å; I2039-Y2055 HydrophobicContact CG1-CE1 3.35Å; I2039-Y2055 HydrophobicContact CG1-CE2 4.33Å; V2053-Y2055 HydrophobicContact CB-CD2 4.01Å; V2053-Y2055 HydrophobicContact CB-CE2 3.61Å; V2053-Y2055 HydrophobicContact CG1-CD2 3.73Å; V2053-Y2055 HydrophobicContact CG1-CE2 3.29Å; V2053-Y2055 HydrophobicContact CG2-CE2 4.39Å; Y2055-C2059 PolarHBondContact N-O 2.78Å; Y2055-C2061 HydrophobicContact CD2-CB 4.07Å; Y2055-C2061 VanDerWaalsContact CD2-SG 3.57Å; Y2055-C2061 HydrophobicContact CE2-CB 4.25Å; Y2055-F2063 HydrophobicContact CE2-CE2 4.13Å; Y2055-F2063 HydrophobicContact CE2-CZ 4.26Å
2056	S	65	Low	78.7	Confident	42 Å²	42	29.5 Å²	29.5	29%	0.294	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	52.1	177.2	-170.3	45.6	0	0	0	0	114.1	T2038 E2040 E2058	T2038-S2056 PolarHBondContact O-N 3.24Å; E2040-S2056 VanDerWaalsContact OE1-CA 3.31Å; E2040-S2056 WeakPolarHBondContact OE1-CA 3.24Å; S2056-E2058 PolarHBondContact O-N 3.1Å
2057	M	58.6	Low	78.9	Confident	100 Å²	100	33 Å²	33	49%	0.493	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-71.7	30	178.9	-59.9	-167.1	73.8	0	0	115.1	P2110	M2057-P2110 VanDerWaalsContact C-CG 3.41Å; M2057-P2110 WeakPolarHBondContact O-CD 3.25Å; M2057-P2110 WeakPolarHBondContact O-CG 3.22Å
2058	E	59.8	Low	78.8	Confident	142 Å²	142	34 Å²	34	66%	0.664	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-136.6	-11.1	175	-67.4	-174.4	173.8	0	0	115.8	S2056	S2056-E2058 PolarHBondContact O-N 3.1Å
2059	C	68.7	Low	79	Confident	14 Å²	14	37.5 Å²	37.5	10%	0.095	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	131.3	-174.1	-77.3	0	0	0	0	115.1	F2006 Y2055	F2006-C2059 HydrophobicContact CE1-CB 4.39Å; Y2055-C2059 PolarHBondContact N-O 2.78Å
2060	V	80	Confident	79	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.2	164.7	176.4	0	0	0	0	110.5	I2052 V2053 Y2073 L2074 P2111 L2113	I2052-V2060 HydrophobicContact CG2-CG1 3.55Å; V2053-V2060 WeakPolarHBondContact O-CA 3.47Å; V2060-Y2073 VanDerWaalsContact O-CA 3.32Å; V2060-Y2073 WeakPolarHBondContact O-CA 3.31Å; V2060-L2074 HydrophobicContact CB-CB 4.4Å; V2060-L2074 HydrophobicContact CG1-CB 4.34Å; V2060-L2074 HydrophobicContact CG1-CD1 4.07Å; V2060-L2074 PolarHBondContact O-N 3.46Å; V2060-P2111 HydrophobicContact CB-CG 4.22Å; V2060-P2111 HydrophobicContact CG2-CG 3.91Å; V2060-P2111 WeakPolarHBondContact CG2-O 3.21Å; V2060-L2113 HydrophobicContact CG1-CD1 4.3Å; V2060-L2113 HydrophobicContact CG2-CG 4.5Å
2061	C	84.1	Confident	78.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.8	-171.8	-59.4	0	0	0	0	111.1	I2052 V2053 Y2055 F2063 H2070 Y2073	I2052-C2061 CarbonylContact C-O 3.56Å; I2052-C2061 WeakPolarHBondContact CA-O 3.21Å; V2053-C2061 PolarHBondContact N-O 3Å; V2053-C2061 PolarHBondContact O-N 2.77Å; Y2055-C2061 HydrophobicContact CD2-CB 4.07Å; Y2055-C2061 VanDerWaalsContact CD2-SG 3.57Å; Y2055-C2061 HydrophobicContact CE2-CB 4.25Å; C2061-F2063 HydrophobicContact CB-CD2 4.34Å; C2061-F2063 HydrophobicContact CB-CE2 3.59Å; C2061-F2063 HydrophobicContact CB-CZ 4.23Å; C2061-H2070 WeakPolarHBondContact CB-NE2 3.32Å; C2061-Y2073 HydrophobicContact CB-CD1 4.48Å; C2061-Y2073 VanDerWaalsContact SG-CE1 3.53Å
2062	V	87	Confident	78.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.2	175.1	-172.5	0	0	0	0	109.5	I2050 H2070 V2071 G2072 L2074 F2147	I2050-V2062 HydrophobicContact CG2-CG1 3.96Å; V2062-H2070 PolarHBondContact O-CD2 3.24Å; V2062-H2070 VanDerWaalsContact O-CD2 3.23Å; V2062-V2071 HydrophobicContact CB-CG2 4.08Å; V2062-V2071 HydrophobicContact CG1-CG2 3.77Å; V2062-V2071 WeakPolarHBondContact O-CG2 3.29Å; V2062-V2071 PolarHBondContact O-N 3.15Å; V2062-G2072 WeakPolarHBondContact CB-O 3.23Å; V2062-G2072 PolarHBondContact N-O 3.12Å; V2062-L2074 HydrophobicContact CG2-CD1 4.24Å; V2062-L2074 HydrophobicContact CG2-CD2 4.36Å; V2062-L2074 HydrophobicContact CG2-CG 3.92Å; V2062-F2147 HydrophobicContact CG1-CB 4.4Å; V2062-F2147 HydrophobicContact CG1-CD2 4.26Å; V2062-F2147 HydrophobicContact CG1-CG 4.27Å; V2062-F2147 HydrophobicContact CG2-CD2 4.33Å; V2062-F2147 HydrophobicContact CG2-CE2 4.16Å
2063	F	86.6	Confident	78	Confident	2 Å²	2	42 Å²	42	1%	0.009	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.9	176	-61.5	-101.3	0	0	0	109.6	P2004 I2050 L2051 V2053 Y2055 C2061 K2069 H2070	P2004-F2063 HydrophobicContact CB-CZ 4.02Å; I2050-F2063 WeakPolarHBondContact CA-O 3.35Å; L2051-F2063 HydrophobicContact CB-CB 4.18Å; L2051-F2063 HydrophobicContact CD2-CB 4.38Å; L2051-F2063 HydrophobicContact CD2-CD2 4.49Å; L2051-F2063 HydrophobicContact CG-CB 4.39Å; L2051-F2063 HydrophobicContact CG-CD2 4.4Å; L2051-F2063 PolarHBondContact N-O 2.83Å; L2051-F2063 PolarHBondContact O-N 3.43Å; V2053-F2063 HydrophobicContact CB-CE2 4.17Å; V2053-F2063 HydrophobicContact CG2-CD2 3.79Å; V2053-F2063 HydrophobicContact CG2-CE2 3.71Å; Y2055-F2063 HydrophobicContact CE2-CE2 4.13Å; Y2055-F2063 HydrophobicContact CE2-CZ 4.26Å; C2061-F2063 HydrophobicContact CB-CD2 4.34Å; C2061-F2063 HydrophobicContact CB-CE2 3.59Å; C2061-F2063 HydrophobicContact CB-CZ 4.23Å; F2063-K2069 WeakPolarHBondContact CA-O 3.24Å; F2063-H2070 HydrophobicContact CD1-CB 3.92Å; F2063-H2070 HydrophobicContact CE1-CB 3.8Å; F2063-H2070 HydrophobicContact CZ-CB 4.48Å; F2063-H2070 AromaticContact CZ-CD2 3.91Å
2064	L	85.7	Confident	77.7	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	107.6	171	-165	81.3	0	0	0	108.2	I2050 S2066 K2067 L2068 K2069 V2071	I2050-L2064 HydrophobicContact CD1-CD1 4.24Å; I2050-L2064 HydrophobicContact CG1-CD1 3.7Å; L2064-S2066 VanDerWaalsContact C-N 3.3Å; L2064-S2066 PolarHBondContact O-N 2.86Å; L2064-K2067 HydrophobicContact CD2-CB 4.26Å; L2064-K2067 HydrophobicContact CD2-CD 3.54Å; L2064-K2067 HydrophobicContact CD2-CG 3.82Å; L2064-K2067 CarbonylContact O-C 3.57Å; L2064-K2067 PolarHBondContact O-N 3.47Å; L2064-K2067 VanDerWaalsContact O-N 3.09Å; L2064-L2068 PolarHBondContact O-N 2.78Å; L2064-L2068 VanDerWaalsContact O-N 3.11Å; L2064-K2069 PolarHBondContact N-O 2.85Å; L2064-K2069 PolarHBondContact O-N 2.81Å; L2064-V2071 HydrophobicContact CB-CG1 3.66Å; L2064-V2071 HydrophobicContact CB-CG2 4.24Å
2065	M	82	Confident	77.3	Confident	22 Å²	22	44.1 Å²	44.1	11%	0.108	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-63.2	-36.8	-172.5	-65.6	-60.8	-67.9	0	0	111.8	I1967 W2000 L2002 Q2048 S2049 L2051 K2067 L2068	I1967-M2065 HydrophobicContact CD1-CE 3.69Å; W2000-M2065 HydrophobicContact CH2-CE 4.12Å; L2002-M2065 HydrophobicContact CD1-CE 4.04Å; L2002-M2065 HydrophobicContact CD1-SD 3.86Å; Q2048-M2065 VanDerWaalsContact O-CB 3.24Å; Q2048-M2065 WeakPolarHBondContact O-CB 3.45Å; Q2048-M2065 WeakPolarHBondContact O-CG 3.36Å; S2049-M2065 PolarHBondContact O-N 2.81Å; L2051-M2065 HydrophobicContact CB-CG 3.97Å; L2051-M2065 HydrophobicContact CB-SD 3.61Å; L2051-M2065 HydrophobicContact CD2-SD 3.71Å; L2051-M2065 HydrophobicContact CG-SD 4.31Å; M2065-K2067 PolarHBondContact O-N 3.4Å; M2065-K2067 VanDerWaalsContact O-N 3.16Å; M2065-L2068 WeakPolarHBondContact O-CD2 3.32Å; M2065-L2068 PolarHBondContact O-N 2.9Å
2066	S	77.4	Confident	76.9	Confident	95 Å²	95	46.7 Å²	46.7	66%	0.664	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-65.8	-13.3	176.7	59	0	0	0	0	114.8	L2064	L2064-S2066 VanDerWaalsContact C-N 3.3Å; L2064-S2066 PolarHBondContact O-N 2.86Å
2067	K	78.8	Confident	77	Confident	118 Å²	118	48.8 Å²	48.8	51%	0.513	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-114.5	3.8	171.4	-65.8	175.1	-163.1	157.2	0	112.3	L2064 M2065 K2069	L2064-K2067 HydrophobicContact CD2-CB 4.26Å; L2064-K2067 HydrophobicContact CD2-CD 3.54Å; L2064-K2067 HydrophobicContact CD2-CG 3.82Å; L2064-K2067 CarbonylContact O-C 3.57Å; L2064-K2067 PolarHBondContact O-N 3.47Å; L2064-K2067 VanDerWaalsContact O-N 3.09Å; M2065-K2067 PolarHBondContact O-N 3.4Å; M2065-K2067 VanDerWaalsContact O-N 3.16Å; K2067-K2069 HydrophobicContact CB-CB 4.39Å; K2067-K2069 WeakPolarHBondContact O-CB 3.24Å; K2067-K2069 PolarHBondContact O-N 2.88Å; K2067-K2069 VanDerWaalsContact O-N 3.09Å
2068	L	78	Confident	77.5	Confident	82 Å²	82	45.3 Å²	45.3	43%	0.429	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.5	39.7	-172.3	-65.3	175.3	0	0	0	113.5	W2000 L2002 L2064 M2065	W2000-L2068 HydrophobicContact CD2-CD1 4.48Å; W2000-L2068 HydrophobicContact CD2-CD2 4.3Å; W2000-L2068 HydrophobicContact CG-CD1 4.38Å; W2000-L2068 HydrophobicContact CH2-CD2 3.96Å; W2000-L2068 HydrophobicContact CZ2-CD2 3.66Å; W2000-L2068 HydrophobicContact CZ3-CD2 4.44Å; L2002-L2068 HydrophobicContact CD2-CB 4.28Å; L2002-L2068 VanDerWaalsContact CD2-O 3.25Å; L2002-L2068 WeakPolarHBondContact CD2-O 3.33Å; L2064-L2068 PolarHBondContact O-N 2.78Å; L2064-L2068 VanDerWaalsContact O-N 3.11Å; M2065-L2068 WeakPolarHBondContact O-CD2 3.32Å; M2065-L2068 PolarHBondContact O-N 2.9Å
2069	K	81.3	Confident	77.7	Confident	140 Å²	140	39.6 Å²	39.6	61%	0.609	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	141.8	-168.7	-162.2	-171	171.5	-179.7	0	112.9	F2063 L2064 K2067 V2071	F2063-K2069 WeakPolarHBondContact CA-O 3.24Å; L2064-K2069 PolarHBondContact N-O 2.85Å; L2064-K2069 PolarHBondContact O-N 2.81Å; K2067-K2069 HydrophobicContact CB-CB 4.39Å; K2067-K2069 WeakPolarHBondContact O-CB 3.24Å; K2067-K2069 PolarHBondContact O-N 2.88Å; K2067-K2069 VanDerWaalsContact O-N 3.09Å; K2069-V2071 PolarHBondContact O-N 2.91Å
2070	H	82.8	Confident	77.3	Confident	22 Å²	22	43.2 Å²	43.2	10%	0.102	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	124.6	162.5	-173.1	-109	0	0	0	110.6	C2061 V2062 F2063 G2072 Y2073	C2061-H2070 WeakPolarHBondContact CB-NE2 3.32Å; V2062-H2070 PolarHBondContact O-CD2 3.24Å; V2062-H2070 VanDerWaalsContact O-CD2 3.23Å; F2063-H2070 HydrophobicContact CD1-CB 3.92Å; F2063-H2070 HydrophobicContact CE1-CB 3.8Å; F2063-H2070 HydrophobicContact CZ-CB 4.48Å; F2063-H2070 AromaticContact CZ-CD2 3.91Å; H2070-G2072 PolarHBondContact NE2-O 3.26Å; H2070-G2072 VanDerWaalsContact NE2-O 3.14Å; H2070-Y2073 AromaticContact CE1-CD1 3.76Å; H2070-Y2073 AromaticContact CE1-CD2 3.96Å; H2070-Y2073 AromaticContact CE1-CE1 3.43Å; H2070-Y2073 VanDerWaalsContact CE1-CE1 3.43Å; H2070-Y2073 WeakPolarHBondContact CE1-CE1 3.07Å; H2070-Y2073 AromaticContact CE1-CE2 3.63Å; H2070-Y2073 AromaticContact CE1-CZ 3.35Å; H2070-Y2073 AromaticContact NE2-CD1 3.79Å; H2070-Y2073 AromaticContact NE2-CE1 3.64Å
2071	V	82.8	Confident	76.4	Confident	49 Å²	49	50.4 Å²	50.4	30%	0.297	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-18.2	-176.5	-71.1	0	0	0	0	114.1	V2062 L2064 K2069 F2147	V2062-V2071 HydrophobicContact CB-CG2 4.08Å; V2062-V2071 HydrophobicContact CG1-CG2 3.77Å; V2062-V2071 WeakPolarHBondContact O-CG2 3.29Å; V2062-V2071 PolarHBondContact O-N 3.15Å; L2064-V2071 HydrophobicContact CB-CG1 3.66Å; L2064-V2071 HydrophobicContact CB-CG2 4.24Å; K2069-V2071 PolarHBondContact O-N 2.91Å; V2071-F2147 HydrophobicContact CB-CD1 4.28Å; V2071-F2147 HydrophobicContact CG2-CB 4.03Å; V2071-F2147 HydrophobicContact CG2-CD1 4Å; V2071-F2147 HydrophobicContact CG2-CG 4.24Å
2072	G	79.8	Confident	74.9	Confident	14 Å²	14	52.7 Å²	52.7	14%	0.144	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.6	174.9	172	0	0	0	0	0	113.7	V2062 H2070	V2062-G2072 WeakPolarHBondContact CB-O 3.23Å; V2062-G2072 PolarHBondContact N-O 3.12Å; H2070-G2072 PolarHBondContact NE2-O 3.26Å; H2070-G2072 VanDerWaalsContact NE2-O 3.14Å
2073	Y	78.1	Confident	72.7	Confident	31 Å²	31	62 Å²	62	12%	0.122	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	158.4	179	-55.4	-79.4	0	0	0	110.7	D2005 F2006 Y2009 V2060 C2061 H2070	D2005-Y2073 PolarHBondContact O-OH 2.96Å; F2006-Y2073 HydrophobicContact CD1-CE1 4.44Å; Y2009-Y2073 HydrophobicContact CD2-CE2 4.45Å; Y2009-Y2073 HydrophobicContact CE2-CD1 4.48Å; Y2009-Y2073 HydrophobicContact CE2-CD2 4.28Å; Y2009-Y2073 HydrophobicContact CE2-CE1 4.28Å; Y2009-Y2073 HydrophobicContact CE2-CE2 4.09Å; Y2009-Y2073 HydrophobicContact CE2-CG 4.49Å; V2060-Y2073 VanDerWaalsContact O-CA 3.32Å; V2060-Y2073 WeakPolarHBondContact O-CA 3.31Å; C2061-Y2073 HydrophobicContact CB-CD1 4.48Å; C2061-Y2073 VanDerWaalsContact SG-CE1 3.53Å; H2070-Y2073 AromaticContact CE1-CD1 3.76Å; H2070-Y2073 AromaticContact CE1-CD2 3.96Å; H2070-Y2073 AromaticContact CE1-CE1 3.43Å; H2070-Y2073 VanDerWaalsContact CE1-CE1 3.43Å; H2070-Y2073 WeakPolarHBondContact CE1-CE1 3.07Å; H2070-Y2073 AromaticContact CE1-CE2 3.63Å; H2070-Y2073 AromaticContact CE1-CZ 3.35Å; H2070-Y2073 AromaticContact NE2-CD1 3.79Å; H2070-Y2073 AromaticContact NE2-CE1 3.64Å
2074	L	79.2	Confident	70.5	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.026	34%	0.335	C	S	.	.			trans	-104.5	100.6	169.8	-66.6	177.9	0	0	0	109.9	V2060 V2062 Y2078 P2111 L2125 W2142 L2144 F2147	V2060-L2074 HydrophobicContact CB-CB 4.4Å; V2060-L2074 HydrophobicContact CG1-CB 4.34Å; V2060-L2074 HydrophobicContact CG1-CD1 4.07Å; V2060-L2074 PolarHBondContact O-N 3.46Å; V2062-L2074 HydrophobicContact CG2-CD1 4.24Å; V2062-L2074 HydrophobicContact CG2-CD2 4.36Å; V2062-L2074 HydrophobicContact CG2-CG 3.92Å; L2074-Y2078 HydrophobicContact CD2-CD1 3.69Å; L2074-Y2078 HydrophobicContact CD2-CE1 3.68Å; L2074-P2111 HydrophobicContact CB-CG 4.46Å; L2074-L2125 HydrophobicContact CD1-CD2 3.47Å; L2074-L2125 VanDerWaalsContact CD1-CD2 3.47Å; L2074-W2142 HydrophobicContact CD2-CB 4.5Å; L2074-W2142 HydrophobicContact CD2-CD2 4.23Å; L2074-W2142 HydrophobicContact CD2-CE3 4.06Å; L2074-W2142 HydrophobicContact CD2-CG 4.45Å; L2074-L2144 HydrophobicContact CD1-CD2 4.23Å; L2074-L2144 HydrophobicContact CD2-CD2 3.93Å; L2074-F2147 HydrophobicContact CD2-CE2 3.79Å; L2074-F2147 HydrophobicContact CD2-CZ 4.37Å
2075	D	72.3	Confident	68	Low	41 Å²	41	72.8 Å²	72.8	22%	0.219	37%	0.367	C	S	.	.	S	Bend	trans	-137.1	175.6	-177.6	73.6	-18.2	0	0	0	112.8	N2077 Y2078 A2079 W2142	D2075-N2077 PolarHBondContact O-N 3.47Å; D2075-N2077 PolarHBondContact OD1-N 2.95Å; D2075-N2077 WeakPolarHBondContact OD2-CB 3.22Å; D2075-N2077 PolarHBondContact OD2-ND2 3.48Å; D2075-Y2078 PolarHBondContact O-N 3.34Å; D2075-Y2078 WeakPolarHBondContact OD1-CB 3.44Å; D2075-Y2078 PolarHBondContact OD1-N 3.41Å; D2075-A2079 PolarHBondContact O-N 3.41Å; D2075-A2079 VanDerWaalsContact O-N 3.12Å; D2075-W2142 VanDerWaalsContact O-CH2 3.28Å; D2075-W2142 WeakPolarHBondContact O-CH2 3.26Å; D2075-W2142 WeakPolarHBondContact O-CZ3 3.3Å
2076	E	66.7	Low	66	Low	54 Å²	54	78.6 Å²	78.6	25%	0.252	40%	0.398	S	S	.	.	H	α-helix	trans	-61.2	-30.6	176.3	-68.7	-80.1	145.9	0	0	111.9	A2079 M2080 F2108 R2163 R2165	E2076-A2079 WeakPolarHBondContact O-CB 3.34Å; E2076-A2079 PolarHBondContact O-N 2.79Å; E2076-M2080 WeakPolarHBondContact O-CB 3.14Å; E2076-M2080 WeakPolarHBondContact O-CG 3.37Å; E2076-M2080 PolarHBondContact O-N 2.88Å; E2076-F2108 HydrophobicContact CG-CD1 3.74Å; E2076-F2108 HydrophobicContact CG-CE1 3.77Å; E2076-F2108 HydrophobicContact CG-CG 4.5Å; E2076-R2163 IonicContact OE1-CZ 3.79Å; E2076-R2163 IonicContact OE1-NH1 2.66Å; E2076-R2163 PolarHBondContact OE1-NH1 3.46Å; E2076-R2163 IonicContact OE1-NH2 3.38Å; E2076-R2163 PolarHBondContact OE1-NH2 2.96Å; E2076-R2163 IonicContact OE2-NH1 3.97Å; E2076-R2165 IonicContact OE1-NH2 2.9Å; E2076-R2165 PolarHBondContact OE1-NH2 3.29Å
2077	N	67.1	Low	64.1	Low	86 Å²	86	82.7 Å²	82.7	46%	0.46	41%	0.406	S	S	.	.	H	α-helix	trans	-65.6	-45.8	176.7	-61.8	-56.5	0	0	0	111.7	D2075 A2079 M2080 M2081	D2075-N2077 PolarHBondContact O-N 3.47Å; D2075-N2077 PolarHBondContact OD1-N 2.95Å; D2075-N2077 WeakPolarHBondContact OD2-CB 3.22Å; D2075-N2077 PolarHBondContact OD2-ND2 3.48Å; N2077-A2079 VanDerWaalsContact C-N 3.3Å; N2077-A2079 PolarHBondContact O-N 3.48Å; N2077-M2080 PolarHBondContact O-N 2.84Å; N2077-M2080 VanDerWaalsContact O-N 3.16Å; N2077-M2081 WeakPolarHBondContact O-CG 3.18Å; N2077-M2081 PolarHBondContact O-N 3.46Å; N2077-M2081 VanDerWaalsContact O-N 3.17Å
2078	Y	69.4	Low	62	Low	28 Å²	28	81.3 Å²	81.3	11%	0.11	41%	0.411	C	S	.	.	H	α-helix	trans	-58.4	-43.6	172.7	-177	-121	0	0	0	110.8	L2074 D2075 M2080 M2081 W2142 S2143 F2147 I2162	L2074-Y2078 HydrophobicContact CD2-CD1 3.69Å; L2074-Y2078 HydrophobicContact CD2-CE1 3.68Å; D2075-Y2078 PolarHBondContact O-N 3.34Å; D2075-Y2078 WeakPolarHBondContact OD1-CB 3.44Å; D2075-Y2078 PolarHBondContact OD1-N 3.41Å; Y2078-M2080 VanDerWaalsContact C-N 3.35Å; Y2078-M2080 PolarHBondContact O-N 2.79Å; Y2078-M2081 PolarHBondContact O-N 2.88Å; Y2078-W2142 AromaticContact CD1-CE3 3.78Å; Y2078-W2142 HydrophobicContact CD1-CE3 3.78Å; Y2078-W2142 AromaticContact CD1-CZ3 3.8Å; Y2078-W2142 HydrophobicContact CD1-CZ3 3.8Å; Y2078-W2142 HydrophobicContact CE1-CE3 4.16Å; Y2078-S2143 PolarHBondContact OH-O 3.21Å; Y2078-F2147 HydrophobicContact CD1-CE2 4.34Å; Y2078-F2147 HydrophobicContact CD1-CZ 4.32Å; Y2078-F2147 HydrophobicContact CD2-CZ 4.16Å; Y2078-F2147 AromaticContact CE1-CE2 3.59Å; Y2078-F2147 HydrophobicContact CE1-CE2 3.59Å; Y2078-F2147 AromaticContact CE1-CZ 3.91Å; Y2078-F2147 HydrophobicContact CE1-CZ 3.91Å; Y2078-F2147 HydrophobicContact CE2-CE1 4.42Å; Y2078-F2147 HydrophobicContact CE2-CE2 4.06Å; Y2078-F2147 AromaticContact CE2-CZ 3.75Å; Y2078-F2147 HydrophobicContact CE2-CZ 3.75Å; Y2078-F2147 HydrophobicContact CG-CZ 4.44Å; Y2078-F2147 AromaticContact CZ-CE2 3.43Å; Y2078-F2147 VanDerWaalsContact CZ-CE2 3.43Å; Y2078-F2147 AromaticContact CZ-CZ 3.62Å; Y2078-F2147 WeakPolarHBondContact OH-CE2 3.07Å; Y2078-I2162 HydrophobicContact CD1-CG2 3.53Å; Y2078-I2162 HydrophobicContact CD2-CD1 4.47Å; Y2078-I2162 HydrophobicContact CD2-CG2 4.41Å; Y2078-I2162 HydrophobicContact CE1-CG2 3.34Å; Y2078-I2162 HydrophobicContact CE2-CD1 4.25Å; Y2078-I2162 HydrophobicContact CE2-CG2 4.26Å; Y2078-I2162 HydrophobicContact CG-CG2 4.07Å; Y2078-I2162 WeakPolarHBondContact O-CD1 3.4Å; Y2078-I2162 WeakPolarHBondContact O-CG2 3.03Å
2079	A	63.9	Low	60.1	Low	21 Å²	21	84.4 Å²	84.4	17%	0.174	43%	0.427	C	S	.	.	H	α-helix	trans	-62	-38.8	174.5	0	0	0	0	0	113.2	D2075 E2076 N2077 W2142 R2163	D2075-A2079 PolarHBondContact O-N 3.41Å; D2075-A2079 VanDerWaalsContact O-N 3.12Å; E2076-A2079 WeakPolarHBondContact O-CB 3.34Å; E2076-A2079 PolarHBondContact O-N 2.79Å; N2077-A2079 VanDerWaalsContact C-N 3.3Å; N2077-A2079 PolarHBondContact O-N 3.48Å; A2079-W2142 HydrophobicContact CB-CH2 4.02Å; A2079-W2142 HydrophobicContact CB-CZ3 3.78Å; A2079-R2163 HydrophobicContact CB-CB 3.97Å
2080	M	60.6	Low	57.9	Low	91 Å²	91	86.7 Å²	86.7	45%	0.448	44%	0.44	S	S	.	.	H	α-helix	trans	-75.3	-18.3	-176.9	-83.6	-168	56.2	0	0	114.8	E2076 N2077 Y2078 N2082 R2083	E2076-M2080 WeakPolarHBondContact O-CB 3.14Å; E2076-M2080 WeakPolarHBondContact O-CG 3.37Å; E2076-M2080 PolarHBondContact O-N 2.88Å; N2077-M2080 PolarHBondContact O-N 2.84Å; N2077-M2080 VanDerWaalsContact O-N 3.16Å; Y2078-M2080 VanDerWaalsContact C-N 3.35Å; Y2078-M2080 PolarHBondContact O-N 2.79Å; M2080-N2082 PolarHBondContact O-N 3.45Å; M2080-R2083 PolarHBondContact O-N 3.21Å
2081	M	60.1	Low	55.8	Low	154 Å²	154	94 Å²	94	76%	0.759	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.3	-179.7	-69.2	-141	169.6	0	0	114.3	N2077 Y2078 I2162	N2077-M2081 WeakPolarHBondContact O-CG 3.18Å; N2077-M2081 PolarHBondContact O-N 3.46Å; N2077-M2081 VanDerWaalsContact O-N 3.17Å; Y2078-M2081 PolarHBondContact O-N 2.88Å; M2081-I2162 HydrophobicContact CB-CD1 4.08Å
2082	N	53.3	Low	53.5	Low	48 Å²	48	100.5 Å²	100.5	26%	0.257	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	12.2	176.2	-87.9	32.8	0	0	0	115.6	M2080 H2084 P2160 W2161 I2162	M2080-N2082 PolarHBondContact O-N 3.45Å; N2082-H2084 VanDerWaalsContact C-N 3.32Å; N2082-H2084 PolarHBondContact O-N 3.12Å; N2082-P2160 PolarHBondContact ND2-O 2.9Å; N2082-W2161 WeakPolarHBondContact ND2-CA 3.26Å; N2082-W2161 PolarHBondContact ND2-N 3.37Å; N2082-I2162 HydrophobicContact CB-CD1 4.38Å; N2082-I2162 HydrophobicContact CB-CG1 4.41Å; N2082-I2162 PolarHBondContact ND2-N 2.81Å; N2082-I2162 WeakPolarHBondContact OD1-CD1 3.41Å; N2082-I2162 WeakPolarHBondContact OD1-CG1 3.12Å
2083	R	41.5	Very low	51.4	Low	196 Å²	196	108 Å²	108	74%	0.74	53%	0.532	S	S	*	.			trans	-70.6	87.7	167.4	-72.1	-168	-179.4	-175.1	2.9	110.5	M2080	M2080-R2083 PolarHBondContact O-N 3.21Å
2084	H	39.6	Very low	49.3	Very low	125 Å²	125	114.5 Å²	114.5	58%	0.579	56%	0.564	S	S	*	*			trans	-53.3	139.8	178.8	-98.9	-91.6	0	0	0	112.5	N2082 L2086	N2082-H2084 VanDerWaalsContact C-N 3.32Å; N2082-H2084 PolarHBondContact O-N 3.12Å; H2084-L2086 PolarHBondContact O-N 3.15Å
2085	P	34.1	Very low	47.1	Very low	106 Å²	106	122.4 Å²	122.4	69%	0.688	60%	0.601	S	S	*	*	S	Bend	trans	-80.9	35.5	-164.8	34.5	-39.6	0	0	0	115
2086	L	38.4	Very low	45.2	Very low	145 Å²	145	129.4 Å²	129.4	76%	0.759	63%	0.632	S	S	*	*			trans	-105.6	-1.4	-164.3	-82.8	163.4	0	0	0	116.5	H2084	H2084-L2086 PolarHBondContact O-N 3.15Å
2087	Q	37.6	Very low	43.4	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	66%	0.66	S	S	*	*	S	Bend	trans	-109.8	-4.6	-176.2	-74.1	-177.1	-33.9	0	0	115.5	I2089	Q2087-I2089 PolarHBondContact O-N 3.17Å
2088	S	34.7	Very low	41.9	Very low	89 Å²	89	140.8 Å²	140.8	62%	0.622	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-1	-171	48.5	0	0	0	0	116.2
2089	I	38.7	Very low	39.9	Very low	148 Å²	148	148.9 Å²	148.9	76%	0.759	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-14.1	-166.3	-71.7	164.5	0	0	0	114.3	Q2087	Q2087-I2089 PolarHBondContact O-N 3.17Å
2090	Q	36.1	Very low	38.6	Very low	187 Å²	187	153.8 Å²	153.8	87%	0.874	75%	0.751	S	S	*	*	S	Bend	trans	-118.1	4.9	-169.5	-77.8	-173.2	-27.8	0	0	117.1
2091	Q	36.9	Very low	37.2	Very low	177 Å²	177	157.9 Å²	157.9	83%	0.827	77%	0.769	S	S	*	*			trans	-122.3	14.3	-177.8	-72.8	-175.4	-25.3	0	0	115.3	Q2093	Q2091-Q2093 PolarHBondContact O-N 3.25Å
2092	Q	36	Very low	36.1	Very low	185 Å²	185	156.7 Å²	156.7	86%	0.864	77%	0.773	S	S	*	*	S	Bend	trans	-81.8	18.3	174.4	-72.7	-166.9	-19.2	0	0	114.4
2093	Q	35.2	Very low	35.2	Very low	171 Å²	171	161.3 Å²	161.3	80%	0.799	79%	0.793	S	S	*	*	S	Bend	trans	-137.9	132.6	174.5	-64.4	-172.7	2.3	0	0	111.1	Q2091	Q2091-Q2093 PolarHBondContact O-N 3.25Å
2094	Q	34	Very low	34.9	Very low	168 Å²	168	162.5 Å²	162.5	79%	0.785	80%	0.797	S	S	*	*	S	Bend	trans	85.2	130	173.8	-49.3	-177.5	19.2	0	0	117.6
2095	Q	33.1	Very low	34.8	Very low	171 Å²	171	162.8 Å²	162.8	80%	0.799	81%	0.81	S	S	*	*			trans	63.7	92.6	158.6	-62.3	166.7	22.8	0	0	115.8
2096	H	32.2	Very low	35.2	Very low	188 Å²	188	163.6 Å²	163.6	87%	0.87	80%	0.799	S	S	*	*				66.8	126.5	52	-92.7	-64.3	0	0	0	116.9
2097	Q	29.6	Very low	35.6	Very low	179 Å²	179	167 Å²	167	84%	0.836	80%	0.802	S	S	*	*			trans	77.6	85.5	163	-64.4	-177.9	-28.3	0	0	119.5
2098	E	35	Very low	36	Very low	200 Å²	200	164.5 Å²	164.5	94%	0.935	79%	0.789	S	S	*	*			trans	-163	158.5	134.5	-111.8	169.3	-156.2	0	0	110.1
2099	E	27.9	Very low	36.6	Very low	197 Å²	197	164.8 Å²	164.8	92%	0.921	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-97.2	126	-171	-67.7	-173.2	122	0	0	114
2100	P	35.5	Very low	37.3	Very low	124 Å²	124	159 Å²	159	81%	0.805	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-96.2	132.4	169.1	34.2	-30	0	0	0	112.7
2101	Q	32.1	Very low	38.2	Very low	178 Å²	178	150.4 Å²	150.4	83%	0.832	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-74.2	154.8	171.8	-71.3	-166.9	6.1	0	0	112.4	E2103	Q2101-E2103 PolarHBondContact O-N 2.85Å; Q2101-E2103 VanDerWaalsContact O-N 3.13Å
2102	P	36.8	Very low	39.5	Very low	128 Å²	128	144.9 Å²	144.9	83%	0.831	69%	0.692	S	S	*	*			trans	-69.8	108.2	176.8	28.3	-34.6	0	0	0	111.6
2103	E	34.2	Very low	41.2	Very low	145 Å²	145	136.3 Å²	136.3	68%	0.678	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-62.9	141	174.2	-69.8	-157	93.8	0	0	112.1	Q2101 R2106	Q2101-E2103 PolarHBondContact O-N 2.85Å; Q2101-E2103 VanDerWaalsContact O-N 3.13Å; E2103-R2106 IonicContact OE1-CZ 3.09Å; E2103-R2106 IonicContact OE1-NE 3.54Å; E2103-R2106 PolarHBondContact OE1-NE 3.27Å; E2103-R2106 IonicContact OE1-NH2 3.4Å; E2103-R2106 PolarHBondContact OE1-NH2 2.78Å; E2103-R2106 IonicContact OE2-NH2 2.68Å
2104	R	34.4	Very low	43	Very low	222 Å²	222	130.4 Å²	130.4	84%	0.838	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-78.2	144.5	167.7	-69.5	179.8	178.3	145.1	3.7	109.5	R2106	R2104-R2106 PolarHBondContact O-N 3.41Å
2105	P	38.8	Very low	45.2	Very low	130 Å²	130	124.8 Å²	124.8	84%	0.844	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-58.1	116.3	171.6	24.6	-33.3	0	0	0	109.4
2106	R	41.8	Very low	47.7	Very low	124 Å²	124	117.8 Å²	117.8	47%	0.468	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-70.4	130.4	-179.4	-56.3	179.9	-171.1	174.2	3.1	108	E2103 R2104 F2108 E2133	E2103-R2106 IonicContact OE1-CZ 3.09Å; E2103-R2106 IonicContact OE1-NE 3.54Å; E2103-R2106 PolarHBondContact OE1-NE 3.27Å; E2103-R2106 IonicContact OE1-NH2 3.4Å; E2103-R2106 PolarHBondContact OE1-NH2 2.78Å; E2103-R2106 IonicContact OE2-NH2 2.68Å; R2104-R2106 PolarHBondContact O-N 3.41Å; R2106-F2108 VanDerWaalsContact O-CD2 3.28Å; R2106-F2108 WeakPolarHBondContact O-CD2 3.2Å; R2106-F2108 WeakPolarHBondContact O-CE2 3.5Å; R2106-F2108 PolarHBondContact O-N 2.89Å; R2106-E2133 IonicContact NH1-OE1 2.79Å; R2106-E2133 PolarHBondContact NH1-OE1 2.66Å
2107	R	46.7	Very low	50.2	Low	216 Å²	216	110 Å²	110	82%	0.815	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-75.5	123.8	169.1	-81.3	-176.4	169.9	174.9	-6.1	108
2108	F	46.3	Very low	53	Low	127 Å²	127	102.4 Å²	102.4	56%	0.557	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-92.7	118.4	177.3	-65.8	-89.5	0	0	0	109.5	E2076 R2106	E2076-F2108 HydrophobicContact CG-CD1 3.74Å; E2076-F2108 HydrophobicContact CG-CE1 3.77Å; E2076-F2108 HydrophobicContact CG-CG 4.5Å; R2106-F2108 VanDerWaalsContact O-CD2 3.28Å; R2106-F2108 WeakPolarHBondContact O-CD2 3.2Å; R2106-F2108 WeakPolarHBondContact O-CE2 3.5Å; R2106-F2108 PolarHBondContact O-N 2.89Å
2109	D	48.2	Very low	55.4	Low	95 Å²	95	92.9 Å²	92.9	51%	0.508	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-71.1	131	162	-68	-34.7	0	0	0	108.1	H2132	D2109-H2132 IonicContact OD2-CD2 2.78Å; D2109-H2132 IonicContact OD2-CE1 3.82Å; D2109-H2132 IonicContact OD2-NE2 3.34Å; D2109-H2132 PolarHBondContact OD2-NE2 3.43Å
2110	P	51.7	Low	57.9	Low	27 Å²	27	89.4 Å²	89.4	18%	0.175	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-73.6	167.8	179.6	35.1	-41.1	0	0	0	111.7	M2057 N2112	M2057-P2110 VanDerWaalsContact C-CG 3.41Å; M2057-P2110 WeakPolarHBondContact O-CD 3.25Å; M2057-P2110 WeakPolarHBondContact O-CG 3.22Å; P2110-N2112 PolarHBondContact O-N 3.2Å
2111	P	56.3	Low	60	Low	7 Å²	7	84.5 Å²	84.5	5%	0.045	41%	0.407	C	S	.	.			trans	-64.6	90.5	177.7	24.9	-33.9	0	0	0	112.8	V2060 L2074 L2113 H2127 W2142	V2060-P2111 HydrophobicContact CB-CG 4.22Å; V2060-P2111 HydrophobicContact CG2-CG 3.91Å; V2060-P2111 WeakPolarHBondContact CG2-O 3.21Å; L2074-P2111 HydrophobicContact CB-CG 4.46Å; P2111-L2113 PolarHBondContact O-N 2.98Å; P2111-L2113 VanDerWaalsContact O-N 3.12Å; P2111-H2127 WeakPolarHBondContact CB-CE1 3.36Å; P2111-H2127 WeakPolarHBondContact CB-NE2 3.48Å; P2111-W2142 HydrophobicContact CG-CZ2 4.49Å
2112	N	63.5	Low	62.3	Low	61 Å²	61	76 Å²	76	33%	0.326	37%	0.367	S	S	.	.			trans	-59.9	112.2	177	-178.4	-13.2	0	0	0	110.9	P2110 S2114	P2110-N2112 PolarHBondContact O-N 3.2Å; N2112-S2114 PolarHBondContact O-N 3.41Å; N2112-S2114 VanDerWaalsContact OD1-CB 3.27Å; N2112-S2114 WeakPolarHBondContact OD1-CB 3.37Å; N2112-S2114 PolarHBondContact OD1-N 2.96Å
2113	L	72.9	Confident	64.5	Low	4 Å²	4	71.3 Å²	71.3	2%	0.021	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	28.3	179.7	-57.7	-179.5	0	0	0	113.6	K2041 I2052 V2060 P2111 S2116 L2125	K2041-L2113 HydrophobicContact CB-CB 4.34Å; K2041-L2113 WeakPolarHBondContact CD-O 3.44Å; I2052-L2113 HydrophobicContact CG2-CD1 4.1Å; V2060-L2113 HydrophobicContact CG1-CD1 4.3Å; V2060-L2113 HydrophobicContact CG2-CG 4.5Å; P2111-L2113 PolarHBondContact O-N 2.98Å; P2111-L2113 VanDerWaalsContact O-N 3.12Å; L2113-S2116 PolarHBondContact O-OG 2.82Å; L2113-S2116 VanDerWaalsContact O-OG 3.06Å; L2113-L2125 HydrophobicContact CD2-CD1 4.42Å; L2113-L2125 HydrophobicContact CD2-CD2 4.32Å
2114	S	72.9	Confident	67.1	Low	48 Å²	48	64.9 Å²	64.9	34%	0.336	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-53.7	-175.5	55.9	0	0	0	0	111.7	K2041 N2112	K2041-S2114 PolarHBondContact NZ-O 2.95Å; N2112-S2114 PolarHBondContact O-N 3.41Å; N2112-S2114 VanDerWaalsContact OD1-CB 3.27Å; N2112-S2114 WeakPolarHBondContact OD1-CB 3.37Å; N2112-S2114 PolarHBondContact OD1-N 2.96Å
2115	I	79.7	Confident	69.6	Low	50 Å²	50	54.3 Å²	54.3	26%	0.256	26%	0.263	S	S	.	.	S	Bend	trans	-120.2	94.2	172.6	-56.8	142.9	0	0	0	106.1	H2127 T2128 L2172 L2175	I2115-H2127 VanDerWaalsContact O-CA 3.32Å; I2115-H2127 WeakPolarHBondContact O-CA 3.39Å; I2115-T2128 HydrophobicContact CB-CG2 4.26Å; I2115-T2128 HydrophobicContact CD1-CG2 4.49Å; I2115-T2128 HydrophobicContact CG2-CG2 4.31Å; I2115-T2128 PolarHBondContact O-N 2.86Å; I2115-T2128 VanDerWaalsContact O-N 3.08Å; I2115-L2172 VanDerWaalsContact CD1-O 3.26Å; I2115-L2172 WeakPolarHBondContact CD1-O 3.32Å; I2115-L2172 HydrophobicContact CG2-CD2 4.38Å; I2115-L2175 HydrophobicContact CG2-CD1 4.01Å; I2115-L2175 HydrophobicContact CG2-CG 4.03Å
2116	S	85	Confident	71.9	Confident	23 Å²	23	48.1 Å²	48.1	16%	0.161	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	148.4	-174.8	61.4	0	0	0	0	111.9	L2113 V2126	L2113-S2116 PolarHBondContact O-OG 2.82Å; L2113-S2116 VanDerWaalsContact O-OG 3.06Å; S2116-V2126 CarbonylContact C-O 3.48Å; S2116-V2126 WeakPolarHBondContact CA-O 3.05Å; S2116-V2126 WeakPolarHBondContact CB-O 3.44Å
2117	T	85.8	Confident	74.1	Confident	24 Å²	24	42.2 Å²	42.2	15%	0.147	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	145	-179	-173.5	0	0	0	0	110.4	V2126 L2175 I2177	T2117-V2126 HydrophobicContact CG2-CB 3.99Å; T2117-V2126 HydrophobicContact CG2-CG2 4.39Å; T2117-V2126 PolarHBondContact N-O 3.04Å; T2117-V2126 PolarHBondContact O-N 2.96Å; T2117-L2175 HydrophobicContact CG2-CB 3.75Å; T2117-I2177 HydrophobicContact CG2-CB 4.27Å; T2117-I2177 HydrophobicContact CG2-CG2 3.77Å
2118	I	87	Confident	75.9	Confident	21 Å²	21	32.9 Å²	32.9	11%	0.108	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.4	179.1	-168.4	178.2	0	0	0	108.5	L2043 I2050 I2052 W2124 L2144	L2043-I2118 HydrophobicContact CB-CG2 4.23Å; L2043-I2118 HydrophobicContact CD1-CB 4.2Å; L2043-I2118 HydrophobicContact CD1-CG2 4.38Å; I2050-I2118 HydrophobicContact CG2-CD1 4.1Å; I2052-I2118 HydrophobicContact CD1-CD1 3.69Å; I2052-I2118 HydrophobicContact CG1-CD1 4.2Å; I2118-W2124 WeakPolarHBondContact CA-O 3.34Å; I2118-W2124 WeakPolarHBondContact CG1-O 3.49Å; I2118-L2144 HydrophobicContact CD1-CD1 4.15Å; I2118-L2144 HydrophobicContact CG1-CD1 4.41Å
2119	S	85.6	Confident	77.4	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.			trans	-52.9	149.5	171	55.1	0	0	0	0	111.6	D2121 G2122 Y2123 W2124	S2119-D2121 PolarHBondContact O-N 2.88Å; S2119-G2122 PolarHBondContact O-N 2.87Å; S2119-G2122 PolarHBondContact OG-N 2.85Å; S2119-Y2123 PolarHBondContact OG-N 2.88Å; S2119-W2124 PolarHBondContact N-O 2.85Å; S2119-W2124 PolarHBondContact OG-N 3.44Å; S2119-W2124 PolarHBondContact OG-O 3.32Å
2120	Y	80.8	Confident	78.7	Confident	123 Å²	123	28 Å²	28	48%	0.482	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-35	-177.2	169.2	-77.1	0	0	0	112	G2046 N2047 N2179	G2046-Y2120 PolarHBondContact N-O 3.48Å; N2047-Y2120 HydrophobicContact CB-CD1 4.46Å; N2047-Y2120 HydrophobicContact CB-CE1 4.07Å; N2047-Y2120 PolarHBondContact N-O 2.94Å; N2047-Y2120 PolarHBondContact OD1-O 2.88Å; Y2120-N2179 WeakPolarHBondContact CB-OD1 3.28Å; Y2120-N2179 PolarHBondContact N-OD1 2.81Å
2121	D	79.3	Confident	79.6	Confident	21 Å²	21	26.8 Å²	26.8	11%	0.112	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-18	176.3	-64.6	-34.9	0	0	0	114	N2047 S2049 S2119 Y2123 H2148 N2179	N2047-D2121 WeakPolarHBondContact ND2-CA 3.46Å; N2047-D2121 PolarHBondContact ND2-O 3.42Å; S2049-D2121 PolarHBondContact OG-O 2.76Å; S2119-D2121 PolarHBondContact O-N 2.88Å; D2121-Y2123 HydrophobicContact CB-CD2 3.54Å; D2121-Y2123 HydrophobicContact CB-CE2 3.4Å; D2121-Y2123 HydrophobicContact CB-CG 4.33Å; D2121-H2148 PolarHBondContact O-CE1 3.49Å; D2121-H2148 VanDerWaalsContact O-CE1 3.29Å; D2121-N2179 PolarHBondContact OD1-ND2 3.18Å; D2121-N2179 PolarHBondContact OD2-ND2 3.21Å
2122	G	80.1	Confident	80.2	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	84.1	16.9	-176.8	0	0	0	0	0	115.4	S2119 L2144 H2148	S2119-G2122 PolarHBondContact O-N 2.87Å; S2119-G2122 PolarHBondContact OG-N 2.85Å; G2122-L2144 WeakPolarHBondContact O-CB 3.41Å; G2122-L2144 WeakPolarHBondContact O-CD1 3.45Å; G2122-H2148 VanDerWaalsContact C-NE2 3.32Å; G2122-H2148 PolarHBondContact O-NE2 2.87Å
2123	Y	84.4	Confident	80.5	Confident	30 Å²	30	33.6 Å²	33.6	12%	0.118	16%	0.161	C	C	.	.	S	Bend	trans	-79.7	-30.8	178.4	-61.3	-50.9	0	0	0	114.1	S2119 D2121 L2144 I2145 H2148 Q2151	S2119-Y2123 PolarHBondContact OG-N 2.88Å; D2121-Y2123 HydrophobicContact CB-CD2 3.54Å; D2121-Y2123 HydrophobicContact CB-CE2 3.4Å; D2121-Y2123 HydrophobicContact CB-CG 4.33Å; Y2123-L2144 WeakPolarHBondContact O-CA 3.21Å; Y2123-L2144 WeakPolarHBondContact O-CB 3.48Å; Y2123-L2144 PolarHBondContact O-N 3.48Å; Y2123-I2145 HydrophobicContact CD1-CG1 4.19Å; Y2123-I2145 HydrophobicContact CG-CG1 4.38Å; Y2123-H2148 AromaticContact CD1-CD2 3.59Å; Y2123-H2148 AromaticContact CD1-NE2 3.67Å; Y2123-H2148 AromaticContact CE1-CD2 3.89Å; Y2123-H2148 AromaticContact CE1-NE2 3.97Å; Y2123-Q2151 PolarHBondContact OH-OE1 3.4Å
2124	W	86.9	Confident	80.5	Confident	10 Å²	10	37.8 Å²	37.8	4%	0.038	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.6	-177.9	-49.5	110.8	0	0	0	110.9	I2118 S2119 I2141 I2145 L2159 W2161 I2177 N2179 C2182	I2118-W2124 WeakPolarHBondContact CA-O 3.34Å; I2118-W2124 WeakPolarHBondContact CG1-O 3.49Å; S2119-W2124 PolarHBondContact N-O 2.85Å; S2119-W2124 PolarHBondContact OG-N 3.44Å; S2119-W2124 PolarHBondContact OG-O 3.32Å; W2124-I2141 HydrophobicContact CE3-CG2 4.42Å; W2124-I2145 HydrophobicContact CH2-CD1 3.59Å; W2124-I2145 HydrophobicContact CZ2-CD1 3.86Å; W2124-I2145 HydrophobicContact CZ3-CD1 4.05Å; W2124-L2159 HydrophobicContact CH2-CD1 3.78Å; W2124-L2159 HydrophobicContact CZ2-CD1 4.25Å; W2124-W2161 HydrophobicContact CE3-CH2 4.13Å; W2124-W2161 HydrophobicContact CH2-CH2 4.42Å; W2124-W2161 HydrophobicContact CH2-CZ2 4.45Å; W2124-W2161 AromaticContact CZ3-CH2 3.64Å; W2124-W2161 HydrophobicContact CZ3-CH2 3.64Å; W2124-W2161 HydrophobicContact CZ3-CZ2 4.08Å; W2124-W2161 HydrophobicContact CZ3-CZ3 4.21Å; W2124-I2177 HydrophobicContact CB-CD1 3.56Å; W2124-I2177 HydrophobicContact CG-CD1 4.12Å; W2124-N2179 PolarHBondContact NE1-O 3.15Å; W2124-C2182 HydrophobicContact CD2-CB 4.41Å
2125	L	88.2	Confident	80.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.2	162.7	167.1	70.4	0	0	0	108.6	L2043 I2052 L2074 L2113 I2141 W2142 L2144	L2043-L2125 HydrophobicContact CD1-CD1 3.68Å; I2052-L2125 HydrophobicContact CD1-CB 4.29Å; I2052-L2125 HydrophobicContact CD1-CD1 4.33Å; I2052-L2125 HydrophobicContact CD1-CD2 4.09Å; I2052-L2125 HydrophobicContact CD1-CG 4.48Å; L2074-L2125 HydrophobicContact CD1-CD2 3.47Å; L2074-L2125 VanDerWaalsContact CD1-CD2 3.47Å; L2113-L2125 HydrophobicContact CD2-CD1 4.42Å; L2113-L2125 HydrophobicContact CD2-CD2 4.32Å; L2125-I2141 CarbonylContact O-C 3.56Å; L2125-I2141 WeakPolarHBondContact O-CA 3.34Å; L2125-W2142 HydrophobicContact CB-CB 4.45Å; L2125-W2142 PolarHBondContact N-O 2.93Å; L2125-W2142 VanDerWaalsContact N-O 3.12Å; L2125-W2142 PolarHBondContact O-N 3.35Å; L2125-L2144 HydrophobicContact CB-CD1 3.91Å; L2125-L2144 HydrophobicContact CB-CD2 4.48Å; L2125-L2144 HydrophobicContact CB-CG 4.27Å
2126	V	87.4	Confident	80.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.4	168.8	-166.4	0	0	0	0	108.8	S2116 T2117 L2139 T2140 I2141 L2175 I2177 I2184	S2116-V2126 CarbonylContact C-O 3.48Å; S2116-V2126 WeakPolarHBondContact CA-O 3.05Å; S2116-V2126 WeakPolarHBondContact CB-O 3.44Å; T2117-V2126 HydrophobicContact CG2-CB 3.99Å; T2117-V2126 HydrophobicContact CG2-CG2 4.39Å; T2117-V2126 PolarHBondContact N-O 3.04Å; T2117-V2126 PolarHBondContact O-N 2.96Å; V2126-L2139 HydrophobicContact CG1-CD1 3.54Å; V2126-L2139 HydrophobicContact CG1-CG 4.09Å; V2126-T2140 CarbonylContact C-O 3.58Å; V2126-T2140 WeakPolarHBondContact CA-O 3.4Å; V2126-I2141 HydrophobicContact CG1-CG1 4.3Å; V2126-I2141 HydrophobicContact CG2-CG1 4.36Å; V2126-I2141 HydrophobicContact CG2-CG2 4.41Å; V2126-L2175 HydrophobicContact CG1-CD1 4.21Å; V2126-I2177 HydrophobicContact CG2-CB 4.25Å; V2126-I2177 HydrophobicContact CG2-CD1 3.45Å; V2126-I2177 VanDerWaalsContact CG2-CD1 3.45Å; V2126-I2177 HydrophobicContact CG2-CG1 4.36Å; V2126-I2177 HydrophobicContact CG2-CG2 4.49Å; V2126-I2184 HydrophobicContact CG1-CD1 4.05Å; V2126-I2184 HydrophobicContact CG1-CG2 4.13Å; V2126-I2184 HydrophobicContact CG2-CD1 3.69Å; V2126-I2184 HydrophobicContact CG2-CG1 3.97Å
2127	H	87	Confident	80.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	162.3	170.9	68.9	94.9	0	0	0	111.4	P2111 I2115 E2129 T2140 W2142	P2111-H2127 WeakPolarHBondContact CB-CE1 3.36Å; P2111-H2127 WeakPolarHBondContact CB-NE2 3.48Å; I2115-H2127 VanDerWaalsContact O-CA 3.32Å; I2115-H2127 WeakPolarHBondContact O-CA 3.39Å; H2127-E2129 IonicContact CE1-OE2 3.41Å; H2127-E2129 PolarHBondContact CE1-OE2 3.36Å; H2127-E2129 IonicContact NE2-OE2 2.69Å; H2127-T2140 PolarHBondContact N-O 2.91Å; H2127-T2140 PolarHBondContact O-N 3.48Å; H2127-W2142 AromaticContact CD2-CD1 3.69Å; H2127-W2142 AromaticContact CD2-NE1 3.58Å; H2127-W2142 AromaticContact NE2-CD1 3.48Å; H2127-W2142 AromaticContact NE2-NE1 2.87Å; H2127-W2142 PolarHBondContact NE2-NE1 3.47Å
2128	T	85	Confident	80.3	Confident	19 Å²	19	38 Å²	38	12%	0.117	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	140.8	164.2	56.9	0	0	0	0	110.5	I2115 C2138 L2139 L2172 L2175	I2115-T2128 HydrophobicContact CB-CG2 4.26Å; I2115-T2128 HydrophobicContact CD1-CG2 4.49Å; I2115-T2128 HydrophobicContact CG2-CG2 4.31Å; I2115-T2128 PolarHBondContact O-N 2.86Å; I2115-T2128 VanDerWaalsContact O-N 3.08Å; T2128-C2138 CarbonylContact C-O 3.55Å; T2128-C2138 WeakPolarHBondContact CA-O 3.48Å; T2128-L2139 HydrophobicContact CG2-CD1 4.44Å; T2128-L2172 HydrophobicContact CG2-CB 4.38Å; T2128-L2172 HydrophobicContact CG2-CD1 4.42Å; T2128-L2175 HydrophobicContact CG2-CD1 4.37Å
2129	E	78.1	Confident	80.3	Confident	22 Å²	22	37.1 Å²	37.1	10%	0.103	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	163.8	166.7	61.8	-172.8	-175.4	0	0	110.6	H2127 T2137 C2138 T2140 R2163 R2165	H2127-E2129 IonicContact CE1-OE2 3.41Å; H2127-E2129 PolarHBondContact CE1-OE2 3.36Å; H2127-E2129 IonicContact NE2-OE2 2.69Å; E2129-T2137 CarbonylContact O-C 3.38Å; E2129-T2137 WeakPolarHBondContact O-CA 3.46Å; E2129-C2138 HydrophobicContact CG-CB 4.2Å; E2129-C2138 PolarHBondContact N-O 3.27Å; E2129-C2138 PolarHBondContact O-N 2.99Å; E2129-T2140 WeakPolarHBondContact CG-OG1 3.29Å; E2129-T2140 WeakPolarHBondContact OE1-CB 3.07Å; E2129-T2140 WeakPolarHBondContact OE1-CG2 3.39Å; E2129-T2140 PolarHBondContact OE1-OG1 3.47Å; E2129-R2163 VanDerWaalsContact CD-NH2 3.32Å; E2129-R2163 IonicContact OE1-CZ 3.5Å; E2129-R2163 IonicContact OE1-NE 3.69Å; E2129-R2163 IonicContact OE1-NH2 3.25Å; E2129-R2163 PolarHBondContact OE1-NH2 3.39Å; E2129-R2163 VanDerWaalsContact OE1-NH2 3.09Å; E2129-R2163 IonicContact OE2-CZ 2.68Å; E2129-R2163 IonicContact OE2-NH2 3.57Å; E2129-R2163 PolarHBondContact OE2-NH2 3.48Å; E2129-R2165 IonicContact OE1-CZ 3.5Å; E2129-R2165 IonicContact OE1-NE 3.4Å; E2129-R2165 PolarHBondContact OE1-NE 3.27Å; E2129-R2165 IonicContact OE1-NH2 3.63Å; E2129-R2165 PolarHBondContact OE1-NH2 3.15Å
2130	Y	75	Confident	80.3	Confident	97 Å²	97	37.1 Å²	37.1	38%	0.38	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116.7	165.8	-175.1	-97.6	0	0	0	108.3	H2132 Q2135 T2137	Y2130-H2132 AromaticContact CD1-ND1 3.94Å; Y2130-H2132 AromaticContact CE1-ND1 3.85Å; Y2130-H2132 PolarHBondContact O-N 2.82Å; Y2130-Q2135 VanDerWaalsContact OH-C 3.3Å; Y2130-Q2135 WeakPolarHBondContact OH-CA 3.35Å; Y2130-Q2135 PolarHBondContact OH-O 2.85Å; Y2130-Q2135 PolarHBondContact OH-OE1 2.81Å; Y2130-T2137 HydrophobicContact CD2-CG2 4.1Å
2131	S	70.5	Confident	80.6	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	107.6	175.2	179.9	0	0	0	0	108.9	E2133 E2134 Q2135 C2136 C2138	S2131-E2133 PolarHBondContact O-N 3.27Å; S2131-E2134 PolarHBondContact O-N 2.89Å; S2131-E2134 PolarHBondContact OG-N 3.03Å; S2131-Q2135 WeakPolarHBondContact O-CA 3.21Å; S2131-Q2135 PolarHBondContact O-N 2.71Å; S2131-C2136 PolarHBondContact N-O 3.27Å; S2131-C2136 PolarHBondContact O-N 2.85Å; S2131-C2138 VanDerWaalsContact CB-SG 3.55Å
2132	H	69	Low	81	Confident	95 Å²	95	30.3 Å²	30.3	44%	0.44	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.8	172.7	-76.5	-69.9	0	0	0	113.1	D2109 Y2130 Q2135	D2109-H2132 IonicContact OD2-CD2 2.78Å; D2109-H2132 IonicContact OD2-CE1 3.82Å; D2109-H2132 IonicContact OD2-NE2 3.34Å; D2109-H2132 PolarHBondContact OD2-NE2 3.43Å; Y2130-H2132 AromaticContact CD1-ND1 3.94Å; Y2130-H2132 AromaticContact CE1-ND1 3.85Å; Y2130-H2132 PolarHBondContact O-N 2.82Å; H2132-Q2135 PolarHBondContact O-NE2 3.41Å
2133	E	70.4	Confident	81.2	Confident	115 Å²	115	30.6 Å²	30.6	54%	0.537	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-34.9	176	-57.9	-162.8	113.2	0	0	112.3	R2106 S2131	R2106-E2133 IonicContact NH1-OE1 2.79Å; R2106-E2133 PolarHBondContact NH1-OE1 2.66Å; S2131-E2133 PolarHBondContact O-N 3.27Å
2134	E	72.9	Confident	81.1	Confident	93 Å²	93	29.1 Å²	29.1	44%	0.435	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	3	-176.9	-60.5	-170.4	-114	0	0	113.3	S2131 C2136 L2167	S2131-E2134 PolarHBondContact O-N 2.89Å; S2131-E2134 PolarHBondContact OG-N 3.03Å; E2134-C2136 PolarHBondContact O-N 3.2Å; E2134-L2167 VanDerWaalsContact OE1-CD2 3.28Å; E2134-L2167 WeakPolarHBondContact OE1-CD2 3.45Å; E2134-L2167 WeakPolarHBondContact OE2-CD1 3.03Å; E2134-L2167 WeakPolarHBondContact OE2-CD2 3.38Å
2135	Q	77.4	Confident	80.8	Confident	120 Å²	120	30.7 Å²	30.7	56%	0.561	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.1	33.3	-179.1	-66.4	-65.9	-47.4	0	0	114.2	Y2130 S2131 H2132	Y2130-Q2135 VanDerWaalsContact OH-C 3.3Å; Y2130-Q2135 WeakPolarHBondContact OH-CA 3.35Å; Y2130-Q2135 PolarHBondContact OH-O 2.85Å; Y2130-Q2135 PolarHBondContact OH-OE1 2.81Å; S2131-Q2135 WeakPolarHBondContact O-CA 3.21Å; S2131-Q2135 PolarHBondContact O-N 2.71Å; H2132-Q2135 PolarHBondContact O-NE2 3.41Å
2136	C	79	Confident	80.2	Confident	13 Å²	13	35 Å²	35	9%	0.088	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	157.9	-178.2	70.6	0	0	0	0	112.9	S2131 E2134 C2138 N2168	S2131-C2136 PolarHBondContact N-O 3.27Å; S2131-C2136 PolarHBondContact O-N 2.85Å; E2134-C2136 PolarHBondContact O-N 3.2Å; C2136-C2138 PolarHBondContact O-N 3.38Å; C2136-N2168 WeakPolarHBondContact CB-OD1 3.35Å
2137	T	79.5	Confident	79.6	Confident	17 Å²	17	36 Å²	36	10%	0.104	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	122.2	170.6	46.7	0	0	0	0	110.3	T1079 E2129 Y2130 N2168 Q2169 S2170	T1079-T2137 HydrophobicContact CG2-CG2 4.41Å; E2129-T2137 CarbonylContact O-C 3.38Å; E2129-T2137 WeakPolarHBondContact O-CA 3.46Å; Y2130-T2137 HydrophobicContact CD2-CG2 4.1Å; T2137-N2168 PolarHBondContact O-N 2.93Å; T2137-Q2169 PolarHBondContact O-N 3.04Å; T2137-S2170 WeakPolarHBondContact OG1-CA 3.45Å; T2137-S2170 WeakPolarHBondContact OG1-CB 3.37Å; T2137-S2170 PolarHBondContact OG1-N 3.16Å
2138	C	83	Confident	78.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	144.8	179.9	-60.9	0	0	0	0	110.9	T2128 E2129 S2131 C2136 R2165 L2166 L2167	T2128-C2138 CarbonylContact C-O 3.55Å; T2128-C2138 WeakPolarHBondContact CA-O 3.48Å; E2129-C2138 HydrophobicContact CG-CB 4.2Å; E2129-C2138 PolarHBondContact N-O 3.27Å; E2129-C2138 PolarHBondContact O-N 2.99Å; S2131-C2138 VanDerWaalsContact CB-SG 3.55Å; C2136-C2138 PolarHBondContact O-N 3.38Å; C2138-R2165 HydrophobicContact CB-CB 4.48Å; C2138-L2166 CarbonylContact C-O 3.59Å; C2138-L2166 VanDerWaalsContact CA-O 3.28Å; C2138-L2166 WeakPolarHBondContact CA-O 3.11Å; C2138-L2167 VanDerWaalsContact SG-CD2 3.55Å
2139	L	86.7	Confident	77.7	Confident	1 Å²	1	42 Å²	42	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	111.4	166.7	179.9	62.2	0	0	0	108.1	V2126 T2128 R2165 L2166 Q2169 L2172 L2175 I2184 W2196	V2126-L2139 HydrophobicContact CG1-CD1 3.54Å; V2126-L2139 HydrophobicContact CG1-CG 4.09Å; T2128-L2139 HydrophobicContact CG2-CD1 4.44Å; L2139-R2165 CarbonylContact O-C 3.51Å; L2139-L2166 HydrophobicContact CB-CB 4.3Å; L2139-L2166 HydrophobicContact CD2-CD2 4.34Å; L2139-L2166 PolarHBondContact N-O 2.92Å; L2139-L2166 PolarHBondContact O-N 2.93Å; L2139-Q2169 HydrophobicContact CB-CB 4.11Å; L2139-Q2169 HydrophobicContact CB-CG 3.93Å; L2139-L2172 HydrophobicContact CD1-CD1 4.32Å; L2139-L2172 HydrophobicContact CD2-CD1 4.28Å; L2139-L2175 HydrophobicContact CD1-CD1 3.48Å; L2139-L2175 VanDerWaalsContact CD1-CD1 3.48Å; L2139-L2175 HydrophobicContact CD1-CD2 3.64Å; L2139-L2175 HydrophobicContact CD1-CG 4.21Å; L2139-L2175 HydrophobicContact CD2-CD2 4.21Å; L2139-I2184 HydrophobicContact CD2-CG2 4.15Å; L2139-W2196 HydrophobicContact CD2-CE3 3.91Å; L2139-W2196 HydrophobicContact CD2-CZ3 4.3Å; L2139-W2196 HydrophobicContact CG-CE3 4.28Å; L2139-W2196 HydrophobicContact CG-CZ3 4.17Å
2140	T	85.6	Confident	76.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.9	-167	-66.1	0	0	0	0	111.2	V2126 H2127 E2129 R2163 K2164 R2165	V2126-T2140 CarbonylContact C-O 3.58Å; V2126-T2140 WeakPolarHBondContact CA-O 3.4Å; H2127-T2140 PolarHBondContact N-O 2.91Å; H2127-T2140 PolarHBondContact O-N 3.48Å; E2129-T2140 WeakPolarHBondContact CG-OG1 3.29Å; E2129-T2140 WeakPolarHBondContact OE1-CB 3.07Å; E2129-T2140 WeakPolarHBondContact OE1-CG2 3.39Å; E2129-T2140 PolarHBondContact OE1-OG1 3.47Å; T2140-R2163 HydrophobicContact CG2-CG 3.74Å; T2140-K2164 WeakPolarHBondContact CA-O 3.37Å; T2140-R2165 HydrophobicContact CG2-CG 4.4Å
2141	I	87.7	Confident	75.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.9	179.9	-48.5	152.8	0	0	0	108.7	W2124 L2125 V2126 W2161 R2163 K2164 I2184 W2196 P2198	W2124-I2141 HydrophobicContact CE3-CG2 4.42Å; L2125-I2141 CarbonylContact O-C 3.56Å; L2125-I2141 WeakPolarHBondContact O-CA 3.34Å; V2126-I2141 HydrophobicContact CG1-CG1 4.3Å; V2126-I2141 HydrophobicContact CG2-CG1 4.36Å; V2126-I2141 HydrophobicContact CG2-CG2 4.41Å; I2141-W2161 HydrophobicContact CB-CH2 4.32Å; I2141-W2161 HydrophobicContact CB-CZ3 4.11Å; I2141-W2161 HydrophobicContact CD1-CH2 4.49Å; I2141-W2161 HydrophobicContact CG2-CH2 3.85Å; I2141-W2161 HydrophobicContact CG2-CZ3 3.9Å; I2141-R2163 CarbonylContact O-C 3.59Å; I2141-R2163 VanDerWaalsContact O-CA 3.25Å; I2141-R2163 WeakPolarHBondContact O-CA 3.35Å; I2141-K2164 HydrophobicContact CD1-CB 4.38Å; I2141-K2164 PolarHBondContact N-O 3.16Å; I2141-K2164 PolarHBondContact O-N 3.19Å; I2141-I2184 HydrophobicContact CD1-CD1 3.56Å; I2141-I2184 HydrophobicContact CG1-CD1 3.53Å; I2141-W2196 HydrophobicContact CD1-CE3 4.02Å; I2141-W2196 HydrophobicContact CD1-CH2 3.35Å; I2141-W2196 HydrophobicContact CD1-CZ2 4.15Å; I2141-W2196 HydrophobicContact CD1-CZ3 3.29Å; I2141-W2196 HydrophobicContact CG1-CH2 4.11Å; I2141-W2196 HydrophobicContact CG1-CZ3 3.73Å; I2141-P2198 HydrophobicContact CD1-CB 3.31Å; I2141-P2198 HydrophobicContact CD1-CG 3.41Å; I2141-P2198 VanDerWaalsContact CD1-CG 3.41Å
2142	W	86.3	Confident	73.7	Confident	1 Å²	1	58.4 Å²	58.4	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.4	169	-60.1	83.5	0	0	0	110.4	L2074 D2075 Y2078 A2079 P2111 L2125 H2127 L2144 I2162 R2163	L2074-W2142 HydrophobicContact CD2-CB 4.5Å; L2074-W2142 HydrophobicContact CD2-CD2 4.23Å; L2074-W2142 HydrophobicContact CD2-CE3 4.06Å; L2074-W2142 HydrophobicContact CD2-CG 4.45Å; D2075-W2142 VanDerWaalsContact O-CH2 3.28Å; D2075-W2142 WeakPolarHBondContact O-CH2 3.26Å; D2075-W2142 WeakPolarHBondContact O-CZ3 3.3Å; Y2078-W2142 AromaticContact CD1-CE3 3.78Å; Y2078-W2142 HydrophobicContact CD1-CE3 3.78Å; Y2078-W2142 AromaticContact CD1-CZ3 3.8Å; Y2078-W2142 HydrophobicContact CD1-CZ3 3.8Å; Y2078-W2142 HydrophobicContact CE1-CE3 4.16Å; A2079-W2142 HydrophobicContact CB-CH2 4.02Å; A2079-W2142 HydrophobicContact CB-CZ3 3.78Å; P2111-W2142 HydrophobicContact CG-CZ2 4.49Å; L2125-W2142 HydrophobicContact CB-CB 4.45Å; L2125-W2142 PolarHBondContact N-O 2.93Å; L2125-W2142 VanDerWaalsContact N-O 3.12Å; L2125-W2142 PolarHBondContact O-N 3.35Å; H2127-W2142 AromaticContact CD2-CD1 3.69Å; H2127-W2142 AromaticContact CD2-NE1 3.58Å; H2127-W2142 AromaticContact NE2-CD1 3.48Å; H2127-W2142 AromaticContact NE2-NE1 2.87Å; H2127-W2142 PolarHBondContact NE2-NE1 3.47Å; W2142-L2144 HydrophobicContact CB-CD2 4.44Å; W2142-I2162 CarbonylContact C-O 3.46Å; W2142-I2162 WeakPolarHBondContact CA-O 3.13Å; W2142-I2162 HydrophobicContact CE3-CG2 4.2Å; W2142-R2163 HydrophobicContact CD2-CB 4.45Å; W2142-R2163 HydrophobicContact CD2-CG 4.09Å; W2142-R2163 HydrophobicContact CE3-CB 4.1Å; W2142-R2163 HydrophobicContact CE3-CG 4.16Å; W2142-R2163 HydrophobicContact CH2-CG 4.33Å; W2142-R2163 HydrophobicContact CZ2-CG 4.22Å; W2142-R2163 VanDerWaalsContact CZ2-NE 3.3Å; W2142-R2163 HydrophobicContact CZ3-CB 4.26Å; W2142-R2163 HydrophobicContact CZ3-CG 4.28Å
2143	S	84.9	Confident	72.7	Confident	6 Å²	6	57.3 Å²	57.3	4%	0.042	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	119.1	161.8	179	0	0	0	0	108.6	Y2078 I2162	Y2078-S2143 PolarHBondContact OH-O 3.21Å; S2143-I2162 PolarHBondContact N-O 3.31Å
2144	L	83.4	Confident	71.5	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.296	C	S	.	.			trans	-100.3	3.6	172.9	-55.3	177.3	0	0	0	111.9	I2052 L2074 I2118 G2122 Y2123 L2125 W2142 H2146 F2147	I2052-L2144 HydrophobicContact CD1-CD1 3.6Å; L2074-L2144 HydrophobicContact CD1-CD2 4.23Å; L2074-L2144 HydrophobicContact CD2-CD2 3.93Å; I2118-L2144 HydrophobicContact CD1-CD1 4.15Å; I2118-L2144 HydrophobicContact CG1-CD1 4.41Å; G2122-L2144 WeakPolarHBondContact O-CB 3.41Å; G2122-L2144 WeakPolarHBondContact O-CD1 3.45Å; Y2123-L2144 WeakPolarHBondContact O-CA 3.21Å; Y2123-L2144 WeakPolarHBondContact O-CB 3.48Å; Y2123-L2144 PolarHBondContact O-N 3.48Å; L2125-L2144 HydrophobicContact CB-CD1 3.91Å; L2125-L2144 HydrophobicContact CB-CD2 4.48Å; L2125-L2144 HydrophobicContact CB-CG 4.27Å; W2142-L2144 HydrophobicContact CB-CD2 4.44Å; L2144-H2146 PolarHBondContact O-N 2.81Å; L2144-F2147 HydrophobicContact CB-CD2 4.31Å; L2144-F2147 HydrophobicContact CD2-CD2 3.97Å; L2144-F2147 HydrophobicContact CD2-CE2 4.16Å; L2144-F2147 WeakPolarHBondContact O-CB 3.37Å; L2144-F2147 PolarHBondContact O-N 3.06Å
2145	I	78.9	Confident	70.1	Confident	42 Å²	42	64.7 Å²	64.7	22%	0.215	32%	0.318	C	S	.	.	H	α-helix	trans	-56.6	-37.5	-175.1	-62.9	161.1	0	0	0	110.7	Y2123 W2124 F2147 H2148 I2153	Y2123-I2145 HydrophobicContact CD1-CG1 4.19Å; Y2123-I2145 HydrophobicContact CG-CG1 4.38Å; W2124-I2145 HydrophobicContact CH2-CD1 3.59Å; W2124-I2145 HydrophobicContact CZ2-CD1 3.86Å; W2124-I2145 HydrophobicContact CZ3-CD1 4.05Å; I2145-F2147 VanDerWaalsContact C-N 3.26Å; I2145-F2147 PolarHBondContact O-N 2.82Å; I2145-H2148 PolarHBondContact O-N 3.36Å; I2145-I2153 HydrophobicContact CD1-CD1 3.53Å; I2145-I2153 HydrophobicContact CG1-CD1 3.93Å; I2145-I2153 HydrophobicContact CG2-CD1 4.27Å
2146	H	75.5	Confident	68.7	Low	92 Å²	92	66.6 Å²	66.6	43%	0.426	33%	0.327	S	S	.	.	H	α-helix	trans	-66.1	-19.2	175.7	-59.1	-69.6	0	0	0	114.5	L2144 N2149	L2144-H2146 PolarHBondContact O-N 2.81Å; H2146-N2149 PolarHBondContact O-ND2 3.35Å; H2146-N2149 PolarHBondContact O-OD1 2.8Å
2147	F	76.4	Confident	67.2	Low	20 Å²	20	70.1 Å²	70.1	9%	0.088	34%	0.339	C	S	.	.	H	α-helix	trans	-85	-24.8	176.1	-66	-59.8	0	0	0	113.3	V2062 V2071 L2074 Y2078 L2144 I2145	V2062-F2147 HydrophobicContact CG1-CB 4.4Å; V2062-F2147 HydrophobicContact CG1-CD2 4.26Å; V2062-F2147 HydrophobicContact CG1-CG 4.27Å; V2062-F2147 HydrophobicContact CG2-CD2 4.33Å; V2062-F2147 HydrophobicContact CG2-CE2 4.16Å; V2071-F2147 HydrophobicContact CB-CD1 4.28Å; V2071-F2147 HydrophobicContact CG2-CB 4.03Å; V2071-F2147 HydrophobicContact CG2-CD1 4Å; V2071-F2147 HydrophobicContact CG2-CG 4.24Å; L2074-F2147 HydrophobicContact CD2-CE2 3.79Å; L2074-F2147 HydrophobicContact CD2-CZ 4.37Å; Y2078-F2147 HydrophobicContact CD1-CE2 4.34Å; Y2078-F2147 HydrophobicContact CD1-CZ 4.32Å; Y2078-F2147 HydrophobicContact CD2-CZ 4.16Å; Y2078-F2147 AromaticContact CE1-CE2 3.59Å; Y2078-F2147 HydrophobicContact CE1-CE2 3.59Å; Y2078-F2147 AromaticContact CE1-CZ 3.91Å; Y2078-F2147 HydrophobicContact CE1-CZ 3.91Å; Y2078-F2147 HydrophobicContact CE2-CE1 4.42Å; Y2078-F2147 HydrophobicContact CE2-CE2 4.06Å; Y2078-F2147 AromaticContact CE2-CZ 3.75Å; Y2078-F2147 HydrophobicContact CE2-CZ 3.75Å; Y2078-F2147 HydrophobicContact CG-CZ 4.44Å; Y2078-F2147 AromaticContact CZ-CE2 3.43Å; Y2078-F2147 VanDerWaalsContact CZ-CE2 3.43Å; Y2078-F2147 AromaticContact CZ-CZ 3.62Å; Y2078-F2147 WeakPolarHBondContact OH-CE2 3.07Å; L2144-F2147 HydrophobicContact CB-CD2 4.31Å; L2144-F2147 HydrophobicContact CD2-CD2 3.97Å; L2144-F2147 HydrophobicContact CD2-CE2 4.16Å; L2144-F2147 WeakPolarHBondContact O-CB 3.37Å; L2144-F2147 PolarHBondContact O-N 3.06Å; I2145-F2147 VanDerWaalsContact C-N 3.26Å; I2145-F2147 PolarHBondContact O-N 2.82Å
2148	H	72.7	Confident	65.7	Low	29 Å²	29	76.9 Å²	76.9	13%	0.134	38%	0.375	C	S	.	.	H	α-helix	trans	-66.1	-43.7	174.9	-79.5	-86.4	0	0	0	111.8	I2050 D2121 G2122 Y2123 I2145 N2150	I2050-H2148 VanDerWaalsContact CD1-NE2 3.29Å; I2050-H2148 WeakPolarHBondContact CD1-NE2 3.48Å; D2121-H2148 PolarHBondContact O-CE1 3.49Å; D2121-H2148 VanDerWaalsContact O-CE1 3.29Å; G2122-H2148 VanDerWaalsContact C-NE2 3.32Å; G2122-H2148 PolarHBondContact O-NE2 2.87Å; Y2123-H2148 AromaticContact CD1-CD2 3.59Å; Y2123-H2148 AromaticContact CD1-NE2 3.67Å; Y2123-H2148 AromaticContact CE1-CD2 3.89Å; Y2123-H2148 AromaticContact CE1-NE2 3.97Å; I2145-H2148 PolarHBondContact O-N 3.36Å; H2148-N2150 PolarHBondContact O-N 2.93Å
2149	N	58.8	Low	64.3	Low	115 Å²	115	79.2 Å²	79.2	62%	0.615	39%	0.387	S	S	*	.			trans	43.9	58.4	175.1	-92.3	-27.1	0	0	0	113.5	H2146	H2146-N2149 PolarHBondContact O-ND2 3.35Å; H2146-N2149 PolarHBondContact O-OD1 2.8Å
2150	N	49.5	Very low	63	Low	156 Å²	156	83 Å²	83	83%	0.834	41%	0.412	S	S	*	.	S	Bend	trans	-170.8	4	162	-109.1	1	0	0	0	116.4	H2148	H2148-N2150 PolarHBondContact O-N 2.93Å
2151	Q	50.5	Low	62.1	Low	135 Å²	135	84.9 Å²	84.9	63%	0.631	42%	0.419	S	S	*	.			trans	-132.1	124.9	-179.8	-73.4	-177	-21	0	0	112.2	Y2123	Y2123-Q2151 PolarHBondContact OH-OE1 3.4Å
2152	L	40.4	Very low	61.3	Low	177 Å²	177	85.2 Å²	85.2	93%	0.927	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-76.7	119.4	166.8	-73.6	162	0	0	0	108.6
2153	I	47.5	Very low	61	Low	72 Å²	72	87.1 Å²	87.1	37%	0.369	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-68.4	142.4	161.2	-61.8	179.2	0	0	0	107.2	I2145	I2145-I2153 HydrophobicContact CD1-CD1 3.53Å; I2145-I2153 HydrophobicContact CG1-CD1 3.93Å; I2145-I2153 HydrophobicContact CG2-CD1 4.27Å
2154	K	45.8	Very low	60.9	Low	171 Å²	171	88.6 Å²	88.6	74%	0.743	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-57.6	146.5	179.6	-68.1	-174.9	177.1	-176.3	0	111.2	E2156	K2154-E2156 PolarHBondContact O-N 3.37Å
2155	E	43.3	Very low	60.9	Low	191 Å²	191	91.6 Å²	91.6	89%	0.893	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	1.5	-162.8	-59.3	173.7	131.8	0	0	115.9	Y2157	E2155-Y2157 PolarHBondContact O-N 3.23Å; E2155-Y2157 VanDerWaalsContact O-N 3.14Å
2156	E	46.7	Very low	61.1	Low	161 Å²	161	90.4 Å²	90.4	75%	0.752	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-6.3	-177.1	-62.8	174.8	148.9	0	0	113.8	K2154	K2154-E2156 PolarHBondContact O-N 3.37Å
2157	Y	48.7	Very low	61.6	Low	87 Å²	87	89.2 Å²	89.2	34%	0.341	44%	0.435	S	S	.	.			trans	-125.1	82.3	-172	-65.7	-78.1	0	0	0	113.2	E2155 L2159	E2155-Y2157 PolarHBondContact O-N 3.23Å; E2155-Y2157 VanDerWaalsContact O-N 3.14Å; Y2157-L2159 VanDerWaalsContact C-N 3.29Å; Y2157-L2159 HydrophobicContact CD1-CD1 4.42Å; Y2157-L2159 HydrophobicContact CG-CD1 4.49Å; Y2157-L2159 PolarHBondContact O-N 3.49Å
2158	N	47.8	Very low	61.8	Low	158 Å²	158	93.4 Å²	93.4	85%	0.845	46%	0.458	S	S	*	.			trans	-65.5	83.4	165.5	-81.2	-33	0	0	0	110.8	P2160	N2158-P2160 VanDerWaalsContact C-CD 3.45Å; N2158-P2160 WeakPolarHBondContact O-CD 3.42Å
2159	L	53.4	Low	62.2	Low	50 Å²	50	92.4 Å²	92.4	26%	0.262	45%	0.454	S	S	.	.			trans	-114.3	78.4	-178.3	-61	173.8	0	0	0	111.1	W2124 Y2157 W2161 C2199	W2124-L2159 HydrophobicContact CH2-CD1 3.78Å; W2124-L2159 HydrophobicContact CZ2-CD1 4.25Å; Y2157-L2159 VanDerWaalsContact C-N 3.29Å; Y2157-L2159 HydrophobicContact CD1-CD1 4.42Å; Y2157-L2159 HydrophobicContact CG-CD1 4.49Å; Y2157-L2159 PolarHBondContact O-N 3.49Å; L2159-W2161 PolarHBondContact O-N 2.75Å; L2159-C2199 HydrophobicContact CD2-CB 4.29Å
2160	P	59.1	Low	63.3	Low	81 Å²	81	88.4 Å²	88.4	53%	0.526	44%	0.435	S	S	.	.			trans	-77.6	36.2	-178.4	35	-38.9	0	0	0	113.2	N2082 N2158	N2082-P2160 PolarHBondContact ND2-O 2.9Å; N2158-P2160 VanDerWaalsContact C-CD 3.45Å; N2158-P2160 WeakPolarHBondContact O-CD 3.42Å
2161	W	67.9	Low	64.7	Low	38 Å²	38	82 Å²	82	14%	0.144	40%	0.4	C	S	.	.			trans	-130.2	133	-178.4	58.8	-90.2	0	0	0	112.4	N2082 W2124 I2141 L2159 K2164	N2082-W2161 WeakPolarHBondContact ND2-CA 3.26Å; N2082-W2161 PolarHBondContact ND2-N 3.37Å; W2124-W2161 HydrophobicContact CE3-CH2 4.13Å; W2124-W2161 HydrophobicContact CH2-CH2 4.42Å; W2124-W2161 HydrophobicContact CH2-CZ2 4.45Å; W2124-W2161 AromaticContact CZ3-CH2 3.64Å; W2124-W2161 HydrophobicContact CZ3-CH2 3.64Å; W2124-W2161 HydrophobicContact CZ3-CZ2 4.08Å; W2124-W2161 HydrophobicContact CZ3-CZ3 4.21Å; I2141-W2161 HydrophobicContact CB-CH2 4.32Å; I2141-W2161 HydrophobicContact CB-CZ3 4.11Å; I2141-W2161 HydrophobicContact CD1-CH2 4.49Å; I2141-W2161 HydrophobicContact CG2-CH2 3.85Å; I2141-W2161 HydrophobicContact CG2-CZ3 3.9Å; L2159-W2161 PolarHBondContact O-N 2.75Å; W2161-K2164 HydrophobicContact CD2-CB 4.07Å; W2161-K2164 HydrophobicContact CE3-CB 3.68Å; W2161-K2164 HydrophobicContact CH2-CB 4.39Å; W2161-K2164 HydrophobicContact CZ3-CB 3.86Å
2162	I	70.7	Confident	66.2	Low	7 Å²	7	76 Å²	76	4%	0.036	37%	0.373	C	S	.	.	S	Bend	trans	-84.6	-35.6	170.1	-75.2	167.8	0	0	0	111	Y2078 M2081 N2082 W2142 S2143	Y2078-I2162 HydrophobicContact CD1-CG2 3.53Å; Y2078-I2162 HydrophobicContact CD2-CD1 4.47Å; Y2078-I2162 HydrophobicContact CD2-CG2 4.41Å; Y2078-I2162 HydrophobicContact CE1-CG2 3.34Å; Y2078-I2162 HydrophobicContact CE2-CD1 4.25Å; Y2078-I2162 HydrophobicContact CE2-CG2 4.26Å; Y2078-I2162 HydrophobicContact CG-CG2 4.07Å; Y2078-I2162 WeakPolarHBondContact O-CD1 3.4Å; Y2078-I2162 WeakPolarHBondContact O-CG2 3.03Å; M2081-I2162 HydrophobicContact CB-CD1 4.08Å; N2082-I2162 HydrophobicContact CB-CD1 4.38Å; N2082-I2162 HydrophobicContact CB-CG1 4.41Å; N2082-I2162 PolarHBondContact ND2-N 2.81Å; N2082-I2162 WeakPolarHBondContact OD1-CD1 3.41Å; N2082-I2162 WeakPolarHBondContact OD1-CG1 3.12Å; W2142-I2162 CarbonylContact C-O 3.46Å; W2142-I2162 WeakPolarHBondContact CA-O 3.13Å; W2142-I2162 HydrophobicContact CE3-CG2 4.2Å; S2143-I2162 PolarHBondContact N-O 3.31Å
2163	R	79.1	Confident	68.1	Low	41 Å²	41	68.8 Å²	68.8	16%	0.155	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.1	-178.5	-168.6	-174.4	-172.8	179	8.9	111.1	E2076 A2079 E2129 T2140 I2141 W2142	E2076-R2163 IonicContact OE1-CZ 3.79Å; E2076-R2163 IonicContact OE1-NH1 2.66Å; E2076-R2163 PolarHBondContact OE1-NH1 3.46Å; E2076-R2163 IonicContact OE1-NH2 3.38Å; E2076-R2163 PolarHBondContact OE1-NH2 2.96Å; E2076-R2163 IonicContact OE2-NH1 3.97Å; A2079-R2163 HydrophobicContact CB-CB 3.97Å; E2129-R2163 VanDerWaalsContact CD-NH2 3.32Å; E2129-R2163 IonicContact OE1-CZ 3.5Å; E2129-R2163 IonicContact OE1-NE 3.69Å; E2129-R2163 IonicContact OE1-NH2 3.25Å; E2129-R2163 PolarHBondContact OE1-NH2 3.39Å; E2129-R2163 VanDerWaalsContact OE1-NH2 3.09Å; E2129-R2163 IonicContact OE2-CZ 2.68Å; E2129-R2163 IonicContact OE2-NH2 3.57Å; E2129-R2163 PolarHBondContact OE2-NH2 3.48Å; T2140-R2163 HydrophobicContact CG2-CG 3.74Å; I2141-R2163 CarbonylContact O-C 3.59Å; I2141-R2163 VanDerWaalsContact O-CA 3.25Å; I2141-R2163 WeakPolarHBondContact O-CA 3.35Å; W2142-R2163 HydrophobicContact CD2-CB 4.45Å; W2142-R2163 HydrophobicContact CD2-CG 4.09Å; W2142-R2163 HydrophobicContact CE3-CB 4.1Å; W2142-R2163 HydrophobicContact CE3-CG 4.16Å; W2142-R2163 HydrophobicContact CH2-CG 4.33Å; W2142-R2163 HydrophobicContact CZ2-CG 4.22Å; W2142-R2163 VanDerWaalsContact CZ2-NE 3.3Å; W2142-R2163 HydrophobicContact CZ3-CB 4.26Å; W2142-R2163 HydrophobicContact CZ3-CG 4.28Å
2164	K	82.7	Confident	69.6	Low	37 Å²	37	67.4 Å²	67.4	16%	0.161	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	133.2	173.4	-171.7	167.4	-178.3	171.8	0	110.6	T2140 I2141 W2161 W2196 P2198 M2202	T2140-K2164 WeakPolarHBondContact CA-O 3.37Å; I2141-K2164 HydrophobicContact CD1-CB 4.38Å; I2141-K2164 PolarHBondContact N-O 3.16Å; I2141-K2164 PolarHBondContact O-N 3.19Å; W2161-K2164 HydrophobicContact CD2-CB 4.07Å; W2161-K2164 HydrophobicContact CE3-CB 3.68Å; W2161-K2164 HydrophobicContact CH2-CB 4.39Å; W2161-K2164 HydrophobicContact CZ3-CB 3.86Å; K2164-W2196 HydrophobicContact CG-CH2 4.34Å; K2164-W2196 HydrophobicContact CG-CZ2 4.33Å; K2164-P2198 HydrophobicContact CD-CB 4.12Å; K2164-P2198 PolarHBondContact NZ-O 3.18Å; K2164-M2202 WeakPolarHBondContact CE-SD 3.06Å; K2164-M2202 PolarHBondContact NZ-SD 3.07Å
2165	R	83	Confident	71.5	Confident	64 Å²	64	59.9 Å²	59.9	24%	0.242	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	143.2	-178.8	-62.8	-175.1	165.5	142.2	-0.9	110.9	E2076 E2129 C2138 L2139 T2140 L2167	E2076-R2165 IonicContact OE1-NH2 2.9Å; E2076-R2165 PolarHBondContact OE1-NH2 3.29Å; E2129-R2165 IonicContact OE1-CZ 3.5Å; E2129-R2165 IonicContact OE1-NE 3.4Å; E2129-R2165 PolarHBondContact OE1-NE 3.27Å; E2129-R2165 IonicContact OE1-NH2 3.63Å; E2129-R2165 PolarHBondContact OE1-NH2 3.15Å; C2138-R2165 HydrophobicContact CB-CB 4.48Å; L2139-R2165 CarbonylContact O-C 3.51Å; T2140-R2165 HydrophobicContact CG2-CG 4.4Å; R2165-L2167 HydrophobicContact CB-CD2 4.36Å
2166	L	83.8	Confident	73.3	Confident	17 Å²	17	51.5 Å²	51.5	9%	0.089	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.6	160.9	172	72.2	0	0	0	108.5	C2138 L2139 Q2169 W2196	C2138-L2166 CarbonylContact C-O 3.59Å; C2138-L2166 VanDerWaalsContact CA-O 3.28Å; C2138-L2166 WeakPolarHBondContact CA-O 3.11Å; L2139-L2166 HydrophobicContact CB-CB 4.3Å; L2139-L2166 HydrophobicContact CD2-CD2 4.34Å; L2139-L2166 PolarHBondContact N-O 2.92Å; L2139-L2166 PolarHBondContact O-N 2.93Å; L2166-Q2169 HydrophobicContact CB-CG 4.47Å; L2166-Q2169 HydrophobicContact CD2-CG 3.78Å; L2166-Q2169 HydrophobicContact CG-CG 3.8Å; L2166-W2196 HydrophobicContact CB-CD2 4.02Å; L2166-W2196 HydrophobicContact CB-CE3 3.84Å; L2166-W2196 HydrophobicContact CB-CH2 3.44Å; L2166-W2196 VanDerWaalsContact CB-CH2 3.44Å; L2166-W2196 HydrophobicContact CB-CZ2 3.62Å; L2166-W2196 HydrophobicContact CB-CZ3 3.53Å; L2166-W2196 HydrophobicContact CD2-CB 4.4Å; L2166-W2196 HydrophobicContact CD2-CD2 3.82Å; L2166-W2196 HydrophobicContact CD2-CE3 3.95Å; L2166-W2196 HydrophobicContact CD2-CG 4.02Å; L2166-W2196 HydrophobicContact CD2-CZ3 4.49Å; L2166-W2196 HydrophobicContact CG-CD2 4.42Å
2167	L	85.6	Confident	75	Confident	66 Å²	66	44.4 Å²	44.4	35%	0.346	22%	0.224	S	C	.	.			trans	-86.4	162.7	-167.8	-49.9	173.9	0	0	0	112.5	E2134 C2138 R2165 Q2169	E2134-L2167 VanDerWaalsContact OE1-CD2 3.28Å; E2134-L2167 WeakPolarHBondContact OE1-CD2 3.45Å; E2134-L2167 WeakPolarHBondContact OE2-CD1 3.03Å; E2134-L2167 WeakPolarHBondContact OE2-CD2 3.38Å; C2138-L2167 VanDerWaalsContact SG-CD2 3.55Å; R2165-L2167 HydrophobicContact CB-CD2 4.36Å; L2167-Q2169 WeakPolarHBondContact O-CG 3.4Å; L2167-Q2169 PolarHBondContact O-N 2.87Å; L2167-Q2169 PolarHBondContact O-NE2 2.87Å
2168	N	80.7	Confident	76.4	Confident	108 Å²	108	40.3 Å²	40.3	58%	0.578	21%	0.208	S	C	*	.			trans	55.7	39.4	173.1	-70.2	-40.7	0	0	0	115.8	C2136 T2137 S2170 R2188	C2136-N2168 WeakPolarHBondContact CB-OD1 3.35Å; T2137-N2168 PolarHBondContact O-N 2.93Å; N2168-S2170 PolarHBondContact O-N 3.31Å; N2168-R2188 VanDerWaalsContact O-CZ 3.32Å; N2168-R2188 PolarHBondContact O-NH1 3.15Å; N2168-R2188 PolarHBondContact O-NH2 2.88Å
2169	Q	82.2	Confident	77.6	Confident	8 Å²	8	33.1 Å²	33.1	4%	0.037	17%	0.169	C	C	.	.			trans	-99.4	52.5	-179.7	-57.7	-51.5	-44.7	0	0	113.4	T2137 L2139 L2166 L2167 L2172 I2194	T2137-Q2169 PolarHBondContact O-N 3.04Å; L2139-Q2169 HydrophobicContact CB-CB 4.11Å; L2139-Q2169 HydrophobicContact CB-CG 3.93Å; L2166-Q2169 HydrophobicContact CB-CG 4.47Å; L2166-Q2169 HydrophobicContact CD2-CG 3.78Å; L2166-Q2169 HydrophobicContact CG-CG 3.8Å; L2167-Q2169 WeakPolarHBondContact O-CG 3.4Å; L2167-Q2169 PolarHBondContact O-N 2.87Å; L2167-Q2169 PolarHBondContact O-NE2 2.87Å; Q2169-L2172 HydrophobicContact CB-CD1 4.31Å; Q2169-I2194 VanDerWaalsContact OE1-CD1 3.27Å
2170	S	80.4	Confident	78.3	Confident	32 Å²	32	36.8 Å²	36.8	22%	0.224	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	162.1	178.8	70.3	0	0	0	0	112.5	T2137 N2168 L2172 R2188	T2137-S2170 WeakPolarHBondContact OG1-CA 3.45Å; T2137-S2170 WeakPolarHBondContact OG1-CB 3.37Å; T2137-S2170 PolarHBondContact OG1-N 3.16Å; N2168-S2170 PolarHBondContact O-N 3.31Å; S2170-L2172 PolarHBondContact O-N 2.95Å; S2170-R2188 VanDerWaalsContact N-NH2 3.12Å; S2170-R2188 WeakPolarHBondContact O-CD 3.42Å; S2170-R2188 VanDerWaalsContact O-CG 3.32Å; S2170-R2188 WeakPolarHBondContact O-CG 3.43Å; S2170-R2188 PolarHBondContact O-NE 3.39Å; S2170-R2188 PolarHBondContact O-NH2 2.8Å; S2170-R2188 PolarHBondContact OG-NH2 3.46Å
2171	N	80.5	Confident	78.7	Confident	20 Å²	20	34.1 Å²	34.1	11%	0.107	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	14.3	175.6	-25.4	7.5	0	0	0	115.1	S1080 S1081 R2188 L2189	S1080-N2171 WeakPolarHBondContact OG-CA 3.45Å; S1080-N2171 VanDerWaalsContact OG-CB 3.24Å; S1080-N2171 WeakPolarHBondContact OG-CB 3.38Å; S1080-N2171 PolarHBondContact OG-OD1 3.21Å; S1081-N2171 PolarHBondContact OG-ND2 2.73Å; N2171-R2188 HydrophobicContact CB-CG 4.32Å; N2171-R2188 WeakPolarHBondContact O-CA 3.22Å; N2171-L2189 HydrophobicContact CB-CB 3.99Å; N2171-L2189 PolarHBondContact ND2-O 3.15Å; N2171-L2189 PolarHBondContact O-N 2.8Å
2172	L	81.6	Confident	79.2	Confident	10 Å²	10	32.3 Å²	32.3	5%	0.052	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	127	-178.8	-151.7	167.6	0	0	0	109.3	I2115 T2128 L2139 Q2169 S2170 Q2174 L2175 A2187 I2194	I2115-L2172 VanDerWaalsContact CD1-O 3.26Å; I2115-L2172 WeakPolarHBondContact CD1-O 3.32Å; I2115-L2172 HydrophobicContact CG2-CD2 4.38Å; T2128-L2172 HydrophobicContact CG2-CB 4.38Å; T2128-L2172 HydrophobicContact CG2-CD1 4.42Å; L2139-L2172 HydrophobicContact CD1-CD1 4.32Å; L2139-L2172 HydrophobicContact CD2-CD1 4.28Å; Q2169-L2172 HydrophobicContact CB-CD1 4.31Å; S2170-L2172 PolarHBondContact O-N 2.95Å; L2172-Q2174 VanDerWaalsContact CD2-O 3.3Å; L2172-Q2174 WeakPolarHBondContact CD2-O 3.45Å; L2172-L2175 HydrophobicContact CD1-CD2 3.96Å; L2172-L2175 HydrophobicContact CD2-CD2 3.62Å; L2172-L2175 HydrophobicContact CD2-CG 3.68Å; L2172-L2175 HydrophobicContact CG-CD2 4.45Å; L2172-A2187 CarbonylContact C-O 3.57Å; L2172-A2187 WeakPolarHBondContact CA-O 3.37Å; L2172-I2194 HydrophobicContact CD1-CD1 3.92Å
2173	I	79.1	Confident	79.5	Confident	25 Å²	25	32.2 Å²	32.2	13%	0.128	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-27	-169.8	50.4	169.6	0	0	0	114.8	A2187 L2189 F2215 L2217 P2220	I2173-A2187 HydrophobicContact CD1-CB 4.19Å; I2173-A2187 HydrophobicContact CG1-CB 3.87Å; I2173-A2187 VanDerWaalsContact CG1-O 3.31Å; I2173-A2187 WeakPolarHBondContact CG1-O 3.37Å; I2173-A2187 PolarHBondContact N-O 2.89Å; I2173-L2189 HydrophobicContact CD1-CD2 4.03Å; I2173-L2189 HydrophobicContact CD1-CG 4.39Å; I2173-L2189 HydrophobicContact CG2-CD1 3.79Å; I2173-L2189 HydrophobicContact CG2-CD2 4.19Å; I2173-L2189 HydrophobicContact CG2-CG 3.72Å; I2173-F2215 HydrophobicContact CD1-CB 3.62Å; I2173-F2215 HydrophobicContact CD1-CD2 4.47Å; I2173-F2215 HydrophobicContact CD1-CG 4.26Å; I2173-L2217 HydrophobicContact CG2-CG 4.3Å; I2173-P2220 HydrophobicContact CD1-CB 4.5Å
2174	Q	79.2	Confident	79.7	Confident	43 Å²	43	30.3 Å²	30.3	20%	0.201	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	143.3	176.2	-177	148.4	-20.9	0	0	110.7	L2172 G2186 A2187 P2221 L2223	L2172-Q2174 VanDerWaalsContact CD2-O 3.3Å; L2172-Q2174 WeakPolarHBondContact CD2-O 3.45Å; Q2174-G2186 VanDerWaalsContact O-CA 3.26Å; Q2174-G2186 WeakPolarHBondContact O-CA 3.09Å; Q2174-A2187 PolarHBondContact O-N 2.93Å; Q2174-P2221 PolarHBondContact NE2-O 3.12Å; Q2174-P2221 PolarHBondContact OE1-O 2.97Å; Q2174-P2221 VanDerWaalsContact OE1-O 3.04Å; Q2174-L2223 HydrophobicContact CB-CD1 4.44Å; Q2174-L2223 HydrophobicContact CG-CB 4.46Å; Q2174-L2223 HydrophobicContact CG-CD1 4.37Å; Q2174-L2223 HydrophobicContact CG-CG 4.29Å
2175	L	85.4	Confident	79.5	Confident	14 Å²	14	28.7 Å²	28.7	7%	0.073	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149	178.9	-74.6	172.5	0	0	0	111.8	I2115 T2117 V2126 T2128 L2139 L2172 I2184 I2185	I2115-L2175 HydrophobicContact CG2-CD1 4.01Å; I2115-L2175 HydrophobicContact CG2-CG 4.03Å; T2117-L2175 HydrophobicContact CG2-CB 3.75Å; V2126-L2175 HydrophobicContact CG1-CD1 4.21Å; T2128-L2175 HydrophobicContact CG2-CD1 4.37Å; L2139-L2175 HydrophobicContact CD1-CD1 3.48Å; L2139-L2175 VanDerWaalsContact CD1-CD1 3.48Å; L2139-L2175 HydrophobicContact CD1-CD2 3.64Å; L2139-L2175 HydrophobicContact CD1-CG 4.21Å; L2139-L2175 HydrophobicContact CD2-CD2 4.21Å; L2172-L2175 HydrophobicContact CD1-CD2 3.96Å; L2172-L2175 HydrophobicContact CD2-CD2 3.62Å; L2172-L2175 HydrophobicContact CD2-CG 3.68Å; L2172-L2175 HydrophobicContact CG-CD2 4.45Å; L2175-I2184 HydrophobicContact CD2-CG2 4.16Å; L2175-I2185 WeakPolarHBondContact CA-O 3.38Å
2176	T	81.1	Confident	79.4	Confident	15 Å²	15	25.7 Å²	25.7	9%	0.092	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	153.6	171.7	-172	0	0	0	0	110.8	I2184 I2185 L2223 I2225	T2176-I2184 WeakPolarHBondContact O-CA 3.16Å; T2176-I2185 HydrophobicContact CG2-CB 4Å; T2176-I2185 PolarHBondContact N-O 2.99Å; T2176-I2185 PolarHBondContact O-N 3.39Å; T2176-L2223 VanDerWaalsContact CB-O 3.27Å; T2176-L2223 WeakPolarHBondContact CB-O 3.41Å; T2176-L2223 HydrophobicContact CG2-CB 3.48Å; T2176-L2223 VanDerWaalsContact CG2-CB 3.48Å; T2176-L2223 HydrophobicContact CG2-CD1 4.32Å; T2176-L2223 WeakPolarHBondContact CG2-O 3.46Å; T2176-L2223 PolarHBondContact OG1-O 2.95Å; T2176-I2225 HydrophobicContact CG2-CD1 3.86Å; T2176-I2225 HydrophobicContact CG2-CG1 3.55Å
2177	I	83.3	Confident	79.2	Confident	12 Å²	12	24.9 Å²	24.9	6%	0.062	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	138.3	-171.5	179.8	167.2	0	0	0	112.9	T2117 W2124 V2126 I2183 I2184	T2117-I2177 HydrophobicContact CG2-CB 4.27Å; T2117-I2177 HydrophobicContact CG2-CG2 3.77Å; W2124-I2177 HydrophobicContact CB-CD1 3.56Å; W2124-I2177 HydrophobicContact CG-CD1 4.12Å; V2126-I2177 HydrophobicContact CG2-CB 4.25Å; V2126-I2177 HydrophobicContact CG2-CD1 3.45Å; V2126-I2177 VanDerWaalsContact CG2-CD1 3.45Å; V2126-I2177 HydrophobicContact CG2-CG1 4.36Å; V2126-I2177 HydrophobicContact CG2-CG2 4.49Å; I2177-I2183 VanDerWaalsContact CA-O 3.32Å; I2177-I2183 WeakPolarHBondContact CA-O 3.47Å; I2177-I2184 HydrophobicContact CB-CG1 4.47Å; I2177-I2184 HydrophobicContact CD1-CG1 4.02Å; I2177-I2184 HydrophobicContact CG1-CG1 4.17Å
2178	S	78.2	Confident	79.1	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.007	11%	0.111	C	C	.	.			trans	-80.4	147	171	72	0	0	0	0	112.7	C2182 I2183	S2178-C2182 PolarHBondContact OG-N 2.65Å; S2178-I2183 PolarHBondContact N-O 2.95Å; S2178-I2183 PolarHBondContact OG-N 3.09Å
2179	N	71.9	Confident	79	Confident	7 Å²	7	17.4 Å²	17.4	4%	0.037	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-61.8	-177.7	-68.9	8.5	0	0	0	113.8	Y2120 D2121 W2124 T2227	Y2120-N2179 WeakPolarHBondContact CB-OD1 3.28Å; Y2120-N2179 PolarHBondContact N-OD1 2.81Å; D2121-N2179 PolarHBondContact OD1-ND2 3.18Å; D2121-N2179 PolarHBondContact OD2-ND2 3.21Å; W2124-N2179 PolarHBondContact NE1-O 3.15Å; N2179-T2227 PolarHBondContact N-O 3.37Å
2180	Y	68.6	Low	78.6	Confident	127 Å²	127	21 Å²	21	50%	0.498	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-46.3	-166.9	-61.9	-67.8	0	0	0	113.1	C2182 Y2228	Y2180-C2182 VanDerWaalsContact C-N 3.32Å; Y2180-C2182 PolarHBondContact O-N 3.48Å; Y2180-Y2228 HydrophobicContact CD2-CD1 4.32Å; Y2180-Y2228 HydrophobicContact CE2-CD1 4.19Å; Y2180-Y2228 HydrophobicContact CE2-CE1 4.36Å
2181	N	68.4	Low	78.3	Confident	25 Å²	25	24.7 Å²	24.7	13%	0.134	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-3.5	-172.5	-65.3	-20.6	0	0	0	114.2	I2183 N2230 L2254	N2181-I2183 HydrophobicContact CB-CD1 3.79Å; N2181-I2183 HydrophobicContact CB-CG1 3.78Å; N2181-I2183 PolarHBondContact O-N 3.5Å; N2181-I2183 VanDerWaalsContact O-N 3.12Å; N2181-N2230 PolarHBondContact ND2-OD1 3.38Å; N2181-L2254 WeakPolarHBondContact ND2-CD1 3.47Å
2182	C	77.8	Confident	78	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.			trans	47.7	37.5	-174.2	-158.2	0	0	0	0	112.9	W2124 S2178 Y2180 P2198	W2124-C2182 HydrophobicContact CD2-CB 4.41Å; S2178-C2182 PolarHBondContact OG-N 2.65Å; Y2180-C2182 VanDerWaalsContact C-N 3.32Å; Y2180-C2182 PolarHBondContact O-N 3.48Å; C2182-P2198 HydrophobicContact CB-CG 4.25Å; C2182-P2198 WeakPolarHBondContact O-CD 3.37Å; C2182-P2198 VanDerWaalsContact O-CG 3.28Å; C2182-P2198 WeakPolarHBondContact O-CG 3.48Å
2183	I	77.6	Confident	77.7	Confident	4 Å²	4	23.3 Å²	23.3	2%	0.021	11%	0.107	C	C	.	.			trans	-76	125.7	172.7	-59.8	166.5	0	0	0	107.7	I2177 S2178 N2181 I2185 I2256	I2177-I2183 VanDerWaalsContact CA-O 3.32Å; I2177-I2183 WeakPolarHBondContact CA-O 3.47Å; S2178-I2183 PolarHBondContact N-O 2.95Å; S2178-I2183 PolarHBondContact OG-N 3.09Å; N2181-I2183 HydrophobicContact CB-CD1 3.79Å; N2181-I2183 HydrophobicContact CB-CG1 3.78Å; N2181-I2183 PolarHBondContact O-N 3.5Å; N2181-I2183 VanDerWaalsContact O-N 3.12Å; I2183-I2185 HydrophobicContact CG2-CG1 4.41Å; I2183-I2256 HydrophobicContact CD1-CD1 4.09Å
2184	I	82	Confident	77.9	Confident	2 Å²	2	22.2 Å²	22.2	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134	-175.2	-58.6	168.8	0	0	0	108.4	V2126 L2139 I2141 L2175 T2176 I2177 C2195 W2196 P2198	V2126-I2184 HydrophobicContact CG1-CD1 4.05Å; V2126-I2184 HydrophobicContact CG1-CG2 4.13Å; V2126-I2184 HydrophobicContact CG2-CD1 3.69Å; V2126-I2184 HydrophobicContact CG2-CG1 3.97Å; L2139-I2184 HydrophobicContact CD2-CG2 4.15Å; I2141-I2184 HydrophobicContact CD1-CD1 3.56Å; I2141-I2184 HydrophobicContact CG1-CD1 3.53Å; L2175-I2184 HydrophobicContact CD2-CG2 4.16Å; T2176-I2184 WeakPolarHBondContact O-CA 3.16Å; I2177-I2184 HydrophobicContact CB-CG1 4.47Å; I2177-I2184 HydrophobicContact CD1-CG1 4.02Å; I2177-I2184 HydrophobicContact CG1-CG1 4.17Å; I2184-C2195 CarbonylContact O-C 3.47Å; I2184-C2195 WeakPolarHBondContact O-CA 3.43Å; I2184-W2196 HydrophobicContact CD1-CE3 3.87Å; I2184-W2196 HydrophobicContact CD1-CZ3 4.22Å; I2184-W2196 PolarHBondContact N-O 2.9Å; I2184-W2196 PolarHBondContact O-N 3.39Å; I2184-P2198 HydrophobicContact CD1-CG 3.88Å
2185	I	79.6	Confident	77.9	Confident	2 Å²	2	20.3 Å²	20.3	1%	0.01	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.7	178.7	-56	178.9	0	0	0	109.4	L2175 T2176 I2183 I2194 C2195 L2223 I2225 I2233	L2175-I2185 WeakPolarHBondContact CA-O 3.38Å; T2176-I2185 HydrophobicContact CG2-CB 4Å; T2176-I2185 PolarHBondContact N-O 2.99Å; T2176-I2185 PolarHBondContact O-N 3.39Å; I2183-I2185 HydrophobicContact CG2-CG1 4.41Å; I2185-I2194 WeakPolarHBondContact CA-O 3.32Å; I2185-I2194 WeakPolarHBondContact CG2-O 3.3Å; I2185-C2195 HydrophobicContact CG1-CB 4.41Å; I2185-L2223 HydrophobicContact CG2-CD1 4.27Å; I2185-I2225 HydrophobicContact CB-CD1 4.28Å; I2185-I2225 HydrophobicContact CD1-CD1 3.65Å; I2185-I2225 HydrophobicContact CD1-CG1 4.03Å; I2185-I2225 HydrophobicContact CG1-CD1 3.79Å; I2185-I2233 HydrophobicContact CD1-CB 4.4Å; I2185-I2233 HydrophobicContact CD1-CD1 3.18Å; I2185-I2233 HydrophobicContact CD1-CG1 3.48Å; I2185-I2233 VanDerWaalsContact CD1-CG1 3.48Å; I2185-I2233 HydrophobicContact CD1-CG2 4.05Å
2186	G	81.4	Confident	77.8	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.01	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.7	178.1	0	0	0	0	0	112.2	Q2174 L2193 I2194	Q2174-G2186 VanDerWaalsContact O-CA 3.26Å; Q2174-G2186 WeakPolarHBondContact O-CA 3.09Å; G2186-L2193 WeakPolarHBondContact O-CA 3.34Å; G2186-I2194 PolarHBondContact N-O 2.92Å; G2186-I2194 PolarHBondContact O-N 3.38Å
2187	A	79.1	Confident	77.7	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134.8	161.6	0	0	0	0	0	109.2	L2172 I2173 Q2174 L2193 F2215 P2221 L2223	L2172-A2187 CarbonylContact C-O 3.57Å; L2172-A2187 WeakPolarHBondContact CA-O 3.37Å; I2173-A2187 HydrophobicContact CD1-CB 4.19Å; I2173-A2187 HydrophobicContact CG1-CB 3.87Å; I2173-A2187 VanDerWaalsContact CG1-O 3.31Å; I2173-A2187 WeakPolarHBondContact CG1-O 3.37Å; I2173-A2187 PolarHBondContact N-O 2.89Å; Q2174-A2187 PolarHBondContact O-N 2.93Å; A2187-L2193 HydrophobicContact CB-CD2 4.14Å; A2187-F2215 HydrophobicContact CB-CD2 4.16Å; A2187-F2215 HydrophobicContact CB-CE2 4.04Å; A2187-P2221 HydrophobicContact CB-CG 3.39Å; A2187-L2223 HydrophobicContact CB-CD1 4.04Å
2188	R	82.1	Confident	77.4	Confident	13 Å²	13	18.9 Å²	18.9	5%	0.049	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	121	-173.3	-171.9	178.2	-179	168.4	5.3	109.8	N2168 S2170 N2171 N2190 Y2191 G2192 Y2206	N2168-R2188 VanDerWaalsContact O-CZ 3.32Å; N2168-R2188 PolarHBondContact O-NH1 3.15Å; N2168-R2188 PolarHBondContact O-NH2 2.88Å; S2170-R2188 VanDerWaalsContact N-NH2 3.12Å; S2170-R2188 WeakPolarHBondContact O-CD 3.42Å; S2170-R2188 VanDerWaalsContact O-CG 3.32Å; S2170-R2188 WeakPolarHBondContact O-CG 3.43Å; S2170-R2188 PolarHBondContact O-NE 3.39Å; S2170-R2188 PolarHBondContact O-NH2 2.8Å; S2170-R2188 PolarHBondContact OG-NH2 3.46Å; N2171-R2188 HydrophobicContact CB-CG 4.32Å; N2171-R2188 WeakPolarHBondContact O-CA 3.22Å; R2188-N2190 PolarHBondContact O-N 3.15Å; R2188-Y2191 HydrophobicContact CG-CD2 4.08Å; R2188-Y2191 HydrophobicContact CG-CG 4.43Å; R2188-Y2191 PolarHBondContact O-N 2.92Å; R2188-Y2191 VanDerWaalsContact O-N 3.09Å; R2188-G2192 PolarHBondContact N-O 3.27Å; R2188-G2192 PolarHBondContact O-N 3.21Å; R2188-Y2206 PolarHBondContact NH1-OH 3.21Å
2189	L	78.8	Confident	77.1	Confident	5 Å²	5	20.3 Å²	20.3	3%	0.026	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	131.2	-178.8	-62.2	163.6	0	0	0	110.1	N2171 I2173 Y2191 F2215 L2217	N2171-L2189 HydrophobicContact CB-CB 3.99Å; N2171-L2189 PolarHBondContact ND2-O 3.15Å; N2171-L2189 PolarHBondContact O-N 2.8Å; I2173-L2189 HydrophobicContact CD1-CD2 4.03Å; I2173-L2189 HydrophobicContact CD1-CG 4.39Å; I2173-L2189 HydrophobicContact CG2-CD1 3.79Å; I2173-L2189 HydrophobicContact CG2-CD2 4.19Å; I2173-L2189 HydrophobicContact CG2-CG 3.72Å; L2189-Y2191 WeakPolarHBondContact O-CD2 3.37Å; L2189-Y2191 PolarHBondContact O-N 3.44Å; L2189-Y2191 VanDerWaalsContact O-N 3.14Å; L2189-F2215 HydrophobicContact CD2-CB 4.44Å; L2189-F2215 WeakPolarHBondContact CD2-O 3.4Å; L2189-L2217 HydrophobicContact CD1-CD1 4.4Å
2190	N	75.4	Confident	76.8	Confident	83 Å²	83	25.3 Å²	25.3	44%	0.444	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	-16.7	-175.5	-46.5	-43.7	0	0	0	117.2	S1081 T1082 R2188	S1081-N2190 PolarHBondContact OG-ND2 2.91Å; T1082-N2190 WeakPolarHBondContact CB-OD1 3.34Å; T1082-N2190 VanDerWaalsContact CG2-ND2 3.28Å; T1082-N2190 WeakPolarHBondContact CG2-ND2 3.47Å; T1082-N2190 VanDerWaalsContact CG2-OD1 3.32Å; T1082-N2190 WeakPolarHBondContact CG2-OD1 3.13Å; T1082-N2190 PolarHBondContact OG1-ND2 2.8Å; T1082-N2190 PolarHBondContact OG1-OD1 2.85Å; T1082-N2190 VanDerWaalsContact OG1-OD1 3.09Å; R2188-N2190 PolarHBondContact O-N 3.15Å
2191	Y	73	Confident	76.8	Confident	109 Å²	109	22.5 Å²	22.5	43%	0.427	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-5.2	179.1	-67.6	-83.8	0	0	0	113.3	R2188 L2189 L2193 Y2206	R2188-Y2191 HydrophobicContact CG-CD2 4.08Å; R2188-Y2191 HydrophobicContact CG-CG 4.43Å; R2188-Y2191 PolarHBondContact O-N 2.92Å; R2188-Y2191 VanDerWaalsContact O-N 3.09Å; L2189-Y2191 WeakPolarHBondContact O-CD2 3.37Å; L2189-Y2191 PolarHBondContact O-N 3.44Å; L2189-Y2191 VanDerWaalsContact O-N 3.14Å; Y2191-L2193 PolarHBondContact O-N 3.29Å; Y2191-Y2206 HydrophobicContact CD1-CE1 4.33Å; Y2191-Y2206 HydrophobicContact CG-CE1 4.49Å
2192	G	75.1	Confident	76.8	Confident	2 Å²	2	27.7 Å²	27.7	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.4	-118.2	179.7	0	0	0	0	0	111.9	R2188 S2210	R2188-G2192 PolarHBondContact N-O 3.27Å; R2188-G2192 PolarHBondContact O-N 3.21Å; G2192-S2210 VanDerWaalsContact CA-O 3.29Å; G2192-S2210 WeakPolarHBondContact CA-O 3.32Å
2193	L	75.2	Confident	76.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.2	-171.6	-62.8	162.8	0	0	0	111.2	G2186 A2187 Y2191 L2207 S2210 L2213 F2215 L2223 I2235 L2258	G2186-L2193 WeakPolarHBondContact O-CA 3.34Å; A2187-L2193 HydrophobicContact CB-CD2 4.14Å; Y2191-L2193 PolarHBondContact O-N 3.29Å; L2193-L2207 HydrophobicContact CB-CB 4.26Å; L2193-L2207 HydrophobicContact CB-CD1 3.68Å; L2193-L2207 HydrophobicContact CD1-CD1 4.23Å; L2193-L2207 PolarHBondContact O-N 2.86Å; L2193-S2210 PolarHBondContact N-OG 3.29Å; L2193-L2213 HydrophobicContact CD1-CD1 3.88Å; L2193-L2213 HydrophobicContact CG-CD1 4.47Å; L2193-F2215 HydrophobicContact CD2-CE2 3.97Å; L2193-F2215 HydrophobicContact CD2-CZ 3.87Å; L2193-F2215 HydrophobicContact CG-CE2 4.17Å; L2193-F2215 HydrophobicContact CG-CZ 4.13Å; L2193-L2223 HydrophobicContact CD2-CD2 4.05Å; L2193-I2235 HydrophobicContact CD1-CD1 3.23Å; L2193-I2235 HydrophobicContact CD2-CD1 3.85Å; L2193-I2235 HydrophobicContact CG-CD1 4.18Å; L2193-L2258 HydrophobicContact CD1-CD2 4.38Å
2194	I	83.5	Confident	76.9	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.3	175.2	69.3	174.6	0	0	0	110.3	Q2169 L2172 I2185 G2186 I2205 Y2206	Q2169-I2194 VanDerWaalsContact OE1-CD1 3.27Å; L2172-I2194 HydrophobicContact CD1-CD1 3.92Å; I2185-I2194 WeakPolarHBondContact CA-O 3.32Å; I2185-I2194 WeakPolarHBondContact CG2-O 3.3Å; G2186-I2194 PolarHBondContact N-O 2.92Å; G2186-I2194 PolarHBondContact O-N 3.38Å; I2194-I2205 WeakPolarHBondContact CA-O 3.33Å; I2194-Y2206 HydrophobicContact CG2-CD1 3.54Å; I2194-Y2206 HydrophobicContact CG2-CE1 3.39Å; I2194-Y2206 HydrophobicContact CG2-CG 4.27Å
2195	C	78.5	Confident	76.6	Confident	3 Å²	3	37 Å²	37	2%	0.02	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.5	172.7	-175.3	0	0	0	0	109.6	I2184 I2185 S2204 I2205 L2249 I2251	I2184-C2195 CarbonylContact O-C 3.47Å; I2184-C2195 WeakPolarHBondContact O-CA 3.43Å; I2185-C2195 HydrophobicContact CG1-CB 4.41Å; C2195-S2204 CarbonylContact O-C 3.59Å; C2195-S2204 WeakPolarHBondContact O-CA 3.44Å; C2195-I2205 PolarHBondContact N-O 2.8Å; C2195-I2205 PolarHBondContact O-N 3.24Å; C2195-L2249 HydrophobicContact CB-CD1 4.06Å; C2195-I2251 WeakPolarHBondContact SG-CD1 3.43Å
2196	W	82.8	Confident	76.4	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131	-179.1	-176.8	39.8	0	0	0	110.2	L2139 I2141 K2164 L2166 I2184 P2198 Q2201 M2202	L2139-W2196 HydrophobicContact CD2-CE3 3.91Å; L2139-W2196 HydrophobicContact CD2-CZ3 4.3Å; L2139-W2196 HydrophobicContact CG-CE3 4.28Å; L2139-W2196 HydrophobicContact CG-CZ3 4.17Å; I2141-W2196 HydrophobicContact CD1-CE3 4.02Å; I2141-W2196 HydrophobicContact CD1-CH2 3.35Å; I2141-W2196 HydrophobicContact CD1-CZ2 4.15Å; I2141-W2196 HydrophobicContact CD1-CZ3 3.29Å; I2141-W2196 HydrophobicContact CG1-CH2 4.11Å; I2141-W2196 HydrophobicContact CG1-CZ3 3.73Å; K2164-W2196 HydrophobicContact CG-CH2 4.34Å; K2164-W2196 HydrophobicContact CG-CZ2 4.33Å; L2166-W2196 HydrophobicContact CB-CD2 4.02Å; L2166-W2196 HydrophobicContact CB-CE3 3.84Å; L2166-W2196 HydrophobicContact CB-CH2 3.44Å; L2166-W2196 VanDerWaalsContact CB-CH2 3.44Å; L2166-W2196 HydrophobicContact CB-CZ2 3.62Å; L2166-W2196 HydrophobicContact CB-CZ3 3.53Å; L2166-W2196 HydrophobicContact CD2-CB 4.4Å; L2166-W2196 HydrophobicContact CD2-CD2 3.82Å; L2166-W2196 HydrophobicContact CD2-CE3 3.95Å; L2166-W2196 HydrophobicContact CD2-CG 4.02Å; L2166-W2196 HydrophobicContact CD2-CZ3 4.49Å; L2166-W2196 HydrophobicContact CG-CD2 4.42Å; I2184-W2196 HydrophobicContact CD1-CE3 3.87Å; I2184-W2196 HydrophobicContact CD1-CZ3 4.22Å; I2184-W2196 PolarHBondContact N-O 2.9Å; I2184-W2196 PolarHBondContact O-N 3.39Å; W2196-P2198 VanDerWaalsContact C-CD 3.48Å; W2196-P2198 HydrophobicContact CD2-CB 4.45Å; W2196-P2198 HydrophobicContact CH2-CB 4.33Å; W2196-P2198 HydrophobicContact CZ2-CB 3.98Å; W2196-P2198 VanDerWaalsContact O-CD 3.3Å; W2196-P2198 WeakPolarHBondContact O-CD 2.91Å; W2196-Q2201 PolarHBondContact NE1-O 2.84Å; W2196-M2202 PolarHBondContact NE1-O 2.83Å
2197	C	78.9	Confident	75.7	Confident	5 Å²	5	41.7 Å²	41.7	3%	0.034	20%	0.202	C	C	.	.			trans	-114.9	77.7	174.6	-173	0	0	0	0	109.5	C2199 K2200 Q2201	C2197-C2199 PolarHBondContact O-N 3.24Å; C2197-K2200 PolarHBondContact O-N 3.38Å; C2197-Q2201 PolarHBondContact O-N 3.19Å
2198	P	76.9	Confident	75	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.013	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-27.6	-179.5	21.3	-40	0	0	0	115.6	I2141 K2164 C2182 I2184 W2196	I2141-P2198 HydrophobicContact CD1-CB 3.31Å; I2141-P2198 HydrophobicContact CD1-CG 3.41Å; I2141-P2198 VanDerWaalsContact CD1-CG 3.41Å; K2164-P2198 HydrophobicContact CD-CB 4.12Å; K2164-P2198 PolarHBondContact NZ-O 3.18Å; C2182-P2198 HydrophobicContact CB-CG 4.25Å; C2182-P2198 WeakPolarHBondContact O-CD 3.37Å; C2182-P2198 VanDerWaalsContact O-CG 3.28Å; C2182-P2198 WeakPolarHBondContact O-CG 3.48Å; I2184-P2198 HydrophobicContact CD1-CG 3.88Å; W2196-P2198 VanDerWaalsContact C-CD 3.48Å; W2196-P2198 HydrophobicContact CD2-CB 4.45Å; W2196-P2198 HydrophobicContact CH2-CB 4.33Å; W2196-P2198 HydrophobicContact CZ2-CB 3.98Å; W2196-P2198 VanDerWaalsContact O-CD 3.3Å; W2196-P2198 WeakPolarHBondContact O-CD 2.91Å
2199	C	71.8	Confident	74	Confident	31 Å²	31	50 Å²	50	21%	0.209	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-18.9	178	-65.1	0	0	0	0	114.2	L2159 C2197	L2159-C2199 HydrophobicContact CD2-CB 4.29Å; C2197-C2199 PolarHBondContact O-N 3.24Å
2200	K	67	Low	73.5	Confident	112 Å²	112	49.8 Å²	49.8	49%	0.487	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-26.2	-178.6	-64.1	-170.8	179.3	-175.3	0	114.6	C2197 N2252	C2197-K2200 PolarHBondContact O-N 3.38Å; K2200-N2252 HydrophobicContact CD-CB 4.17Å
2201	Q	67	Low	73.1	Confident	68 Å²	68	51.3 Å²	51.3	32%	0.318	25%	0.25	S	S	.	.			trans	-138.3	147	-175.8	-72.8	175.6	-17.4	0	0	111.3	W2196 C2197	W2196-Q2201 PolarHBondContact NE1-O 2.84Å; C2197-Q2201 PolarHBondContact O-N 3.19Å
2202	M	68.6	Low	72.7	Confident	134 Å²	134	55.5 Å²	55.5	66%	0.66	27%	0.267	S	S	*	.	S	Bend	trans	-79.8	-39.8	173.9	-71.9	-59.6	-159.5	0	0	112.3	K2164 W2196	K2164-M2202 WeakPolarHBondContact CE-SD 3.06Å; K2164-M2202 PolarHBondContact NZ-SD 3.07Å; W2196-M2202 PolarHBondContact NE1-O 2.83Å
2203	N	77.4	Confident	72.1	Confident	126 Å²	126	56.3 Å²	56.3	67%	0.674	27%	0.27	S	S	*	.	S	Bend	trans	-91.7	155	-173.1	-60.2	-2.2	0	0	0	111.9
2204	S	79.9	Confident	71.4	Confident	20 Å²	20	63.8 Å²	63.8	14%	0.14	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-82.9	138.5	168.9	54.2	0	0	0	0	112	C2195	C2195-S2204 CarbonylContact O-C 3.59Å; C2195-S2204 WeakPolarHBondContact O-CA 3.44Å
2205	I	76	Confident	70.7	Confident	54 Å²	54	64.8 Å²	64.8	28%	0.277	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.9	167.7	-50.2	172.6	0	0	0	108.3	I2194 C2195 L2249 I2251	I2194-I2205 WeakPolarHBondContact CA-O 3.33Å; C2195-I2205 PolarHBondContact N-O 2.8Å; C2195-I2205 PolarHBondContact O-N 3.24Å; I2205-L2249 HydrophobicContact CD1-CD2 4.23Å; I2205-L2249 HydrophobicContact CG2-CD2 4.3Å; I2205-I2251 HydrophobicContact CD1-CD1 4.16Å; I2205-I2251 HydrophobicContact CD1-CG1 4.15Å
2206	Y	76.3	Confident	70	Confident	91 Å²	91	65.3 Å²	65.3	36%	0.357	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135.6	170.4	-70.7	-99.8	0	0	0	109.5	R2188 Y2191 I2194 Q2208	R2188-Y2206 PolarHBondContact NH1-OH 3.21Å; Y2191-Y2206 HydrophobicContact CD1-CE1 4.33Å; Y2191-Y2206 HydrophobicContact CG-CE1 4.49Å; I2194-Y2206 HydrophobicContact CG2-CD1 3.54Å; I2194-Y2206 HydrophobicContact CG2-CE1 3.39Å; I2194-Y2206 HydrophobicContact CG2-CG 4.27Å; Y2206-Q2208 PolarHBondContact O-N 2.94Å
2207	L	67	Low	69.3	Low	11 Å²	11	70.7 Å²	70.7	6%	0.058	34%	0.338	C	S	.	.			trans	-79.1	114.4	173.8	-83.2	151.6	0	0	0	110.3	L2193 S2210 W2247 L2249 L2258	L2193-L2207 HydrophobicContact CB-CB 4.26Å; L2193-L2207 HydrophobicContact CB-CD1 3.68Å; L2193-L2207 HydrophobicContact CD1-CD1 4.23Å; L2193-L2207 PolarHBondContact O-N 2.86Å; L2207-S2210 WeakPolarHBondContact O-CB 3.45Å; L2207-S2210 PolarHBondContact O-N 3.09Å; L2207-S2210 PolarHBondContact O-OG 3.34Å; L2207-W2247 HydrophobicContact CD2-CB 4.06Å; L2207-L2249 HydrophobicContact CD1-CD1 4.14Å; L2207-L2249 HydrophobicContact CD2-CB 4.4Å; L2207-L2249 HydrophobicContact CD2-CD1 3.77Å; L2207-L2249 HydrophobicContact CD2-CG 3.9Å; L2207-L2249 HydrophobicContact CG-CD1 3.88Å; L2207-L2258 HydrophobicContact CD1-CD1 3.65Å; L2207-L2258 HydrophobicContact CD1-CD2 3.42Å; L2207-L2258 VanDerWaalsContact CD1-CD2 3.42Å; L2207-L2258 HydrophobicContact CD1-CG 4.15Å; L2207-L2258 HydrophobicContact CD2-CD1 3.75Å; L2207-L2258 HydrophobicContact CG-CD1 4.33Å
2208	Q	64.2	Low	68.6	Low	169 Å²	169	73 Å²	73	79%	0.79	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	146.8	169.5	-69.6	-177.1	-19.9	0	0	110.3	Y2206 S2210 W2247	Y2206-Q2208 PolarHBondContact O-N 2.94Å; Q2208-S2210 PolarHBondContact O-N 3.2Å; Q2208-W2247 WeakPolarHBondContact O-CZ3 3.41Å
2209	G	61.6	Low	67.8	Low	20 Å²	20	76.3 Å²	76.3	21%	0.206	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	-21.9	-179.4	0	0	0	0	0	116.4	Q2211 Y2212	G2209-Q2211 PolarHBondContact O-N 3.1Å; G2209-Y2212 WeakPolarHBondContact O-CD2 3.45Å; G2209-Y2212 PolarHBondContact O-N 3.31Å; G2209-Y2212 VanDerWaalsContact O-N 3.07Å
2210	S	68	Low	67.3	Low	0 Å²	0	77.3 Å²	77.3	0%	0	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-61.6	-16	174.8	72.4	0	0	0	0	113.9	G2192 L2193 L2207 Q2208 Y2212 L2213	G2192-S2210 VanDerWaalsContact CA-O 3.29Å; G2192-S2210 WeakPolarHBondContact CA-O 3.32Å; L2193-S2210 PolarHBondContact N-OG 3.29Å; L2207-S2210 WeakPolarHBondContact O-CB 3.45Å; L2207-S2210 PolarHBondContact O-N 3.09Å; L2207-S2210 PolarHBondContact O-OG 3.34Å; Q2208-S2210 PolarHBondContact O-N 3.2Å; S2210-Y2212 PolarHBondContact O-N 3.35Å; S2210-L2213 VanDerWaalsContact O-CB 3.3Å; S2210-L2213 WeakPolarHBondContact O-CB 3.5Å; S2210-L2213 WeakPolarHBondContact O-CG 3.47Å; S2210-L2213 PolarHBondContact O-N 2.84Å; S2210-L2213 VanDerWaalsContact O-N 3.17Å
2211	Q	67.1	Low	67.3	Low	115 Å²	115	72 Å²	72	54%	0.537	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-61.1	-26.3	173.2	-61.4	171	11.9	0	0	113.1	G2209 L2213	G2209-Q2211 PolarHBondContact O-N 3.1Å; Q2211-L2213 PolarHBondContact O-N 3.32Å
2212	Y	64.2	Low	67.2	Low	197 Å²	197	73.6 Å²	73.6	77%	0.773	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-75	-10.2	177.2	-58	-59.7	0	0	0	113.4	G2209 S2210 K2214	G2209-Y2212 WeakPolarHBondContact O-CD2 3.45Å; G2209-Y2212 PolarHBondContact O-N 3.31Å; G2209-Y2212 VanDerWaalsContact O-N 3.07Å; S2210-Y2212 PolarHBondContact O-N 3.35Å; Y2212-K2214 PolarHBondContact O-N 3.46Å
2213	L	63	Low	67.3	Low	18 Å²	18	67.4 Å²	67.4	9%	0.094	33%	0.326	C	S	.	.	S	Bend	trans	-75	107.4	177.3	-57.4	175.6	0	0	0	109.8	L2193 S2210 Q2211 F2215 N2261	L2193-L2213 HydrophobicContact CD1-CD1 3.88Å; L2193-L2213 HydrophobicContact CG-CD1 4.47Å; S2210-L2213 VanDerWaalsContact O-CB 3.3Å; S2210-L2213 WeakPolarHBondContact O-CB 3.5Å; S2210-L2213 WeakPolarHBondContact O-CG 3.47Å; S2210-L2213 PolarHBondContact O-N 2.84Å; S2210-L2213 VanDerWaalsContact O-N 3.17Å; Q2211-L2213 PolarHBondContact O-N 3.32Å; L2213-F2215 HydrophobicContact CB-CD1 4.22Å; L2213-F2215 HydrophobicContact CB-CE1 3.67Å; L2213-F2215 HydrophobicContact CB-CE2 4.02Å; L2213-F2215 HydrophobicContact CB-CZ 3.56Å; L2213-F2215 HydrophobicContact CD1-CE1 4.09Å; L2213-F2215 HydrophobicContact CD1-CE2 4.38Å; L2213-F2215 HydrophobicContact CD1-CZ 3.55Å; L2213-F2215 HydrophobicContact CG-CE1 4.48Å; L2213-F2215 HydrophobicContact CG-CZ 4.2Å; L2213-F2215 PolarHBondContact O-N 3.15Å; L2213-N2261 WeakPolarHBondContact CD2-OD1 3.27Å
2214	K	59.8	Low	66.7	Low	158 Å²	158	66.5 Å²	66.5	69%	0.687	32%	0.321	S	S	*	.			trans	-72.9	68.8	179	-69.5	-173	176.1	-178.9	0	112.3	Y2212 I2239	Y2212-K2214 PolarHBondContact O-N 3.46Å; K2214-I2239 HydrophobicContact CB-CD1 4.35Å
2215	F	68.6	Low	66.1	Low	22 Å²	22	66.9 Å²	66.9	10%	0.096	32%	0.321	C	S	.	.			trans	-67.5	144.3	167.5	-51.6	-42.9	0	0	0	110.6	I2173 A2187 L2189 L2193 L2213 P2221 I2235	I2173-F2215 HydrophobicContact CD1-CB 3.62Å; I2173-F2215 HydrophobicContact CD1-CD2 4.47Å; I2173-F2215 HydrophobicContact CD1-CG 4.26Å; A2187-F2215 HydrophobicContact CB-CD2 4.16Å; A2187-F2215 HydrophobicContact CB-CE2 4.04Å; L2189-F2215 HydrophobicContact CD2-CB 4.44Å; L2189-F2215 WeakPolarHBondContact CD2-O 3.4Å; L2193-F2215 HydrophobicContact CD2-CE2 3.97Å; L2193-F2215 HydrophobicContact CD2-CZ 3.87Å; L2193-F2215 HydrophobicContact CG-CE2 4.17Å; L2193-F2215 HydrophobicContact CG-CZ 4.13Å; L2213-F2215 HydrophobicContact CB-CD1 4.22Å; L2213-F2215 HydrophobicContact CB-CE1 3.67Å; L2213-F2215 HydrophobicContact CB-CE2 4.02Å; L2213-F2215 HydrophobicContact CB-CZ 3.56Å; L2213-F2215 HydrophobicContact CD1-CE1 4.09Å; L2213-F2215 HydrophobicContact CD1-CE2 4.38Å; L2213-F2215 HydrophobicContact CD1-CZ 3.55Å; L2213-F2215 HydrophobicContact CG-CE1 4.48Å; L2213-F2215 HydrophobicContact CG-CZ 4.2Å; L2213-F2215 PolarHBondContact O-N 3.15Å; F2215-P2221 HydrophobicContact CD1-CB 3.75Å; F2215-P2221 HydrophobicContact CD1-CG 3.59Å; F2215-P2221 HydrophobicContact CD2-CG 4.26Å; F2215-P2221 HydrophobicContact CE1-CB 3.54Å; F2215-P2221 HydrophobicContact CE1-CG 3.59Å; F2215-P2221 HydrophobicContact CE2-CG 4.25Å; F2215-P2221 HydrophobicContact CG-CG 3.94Å; F2215-P2221 HydrophobicContact CZ-CB 4.21Å; F2215-P2221 HydrophobicContact CZ-CG 3.93Å; F2215-I2235 HydrophobicContact CE1-CG2 4.09Å; F2215-I2235 HydrophobicContact CZ-CG2 4.17Å
2216	T	64.2	Low	65.6	Low	14 Å²	14	65.8 Å²	65.8	9%	0.086	32%	0.319	C	S	.	.			trans	-131.7	160.5	173.8	64	0	0	0	0	110.3	N2218 Y2219	T2216-N2218 PolarHBondContact O-N 2.73Å; T2216-Y2219 CarbonylContact O-C 3.57Å; T2216-Y2219 PolarHBondContact O-N 3Å; T2216-Y2219 PolarHBondContact OG1-N 2.96Å
2217	L	68.6	Low	65	Low	117 Å²	117	64.5 Å²	64.5	61%	0.613	32%	0.32	S	S	*	.	S	Bend	trans	-67	-17	178.2	-122.9	161.6	0	0	0	113.2	I2173 L2189	I2173-L2217 HydrophobicContact CG2-CG 4.3Å; L2189-L2217 HydrophobicContact CD1-CD1 4.4Å
2218	N	63.6	Low	64.7	Low	54 Å²	54	71.2 Å²	71.2	29%	0.289	35%	0.346	S	S	.	.	S	Bend	trans	-87.5	-30.5	175.2	-62	-54.9	0	0	0	112.9	S1085 H1086 H1087 T2216 P2220	S1085-N2218 PolarHBondContact O-ND2 2.88Å; H1086-N2218 VanDerWaalsContact O-CG 3.31Å; H1086-N2218 PolarHBondContact O-ND2 3.11Å; H1087-N2218 PolarHBondContact CE1-OD1 3.18Å; H1087-N2218 PolarHBondContact ND1-OD1 3.24Å; T2216-N2218 PolarHBondContact O-N 2.73Å; N2218-P2220 VanDerWaalsContact C-CD 3.43Å; N2218-P2220 WeakPolarHBondContact O-CD 3.34Å
2219	Y	59	Low	64.2	Low	71 Å²	71	63.1 Å²	63.1	28%	0.278	31%	0.308	S	S	.	.	S	Bend	trans	-127.7	67.3	-179.8	-57	-83.9	0	0	0	109.7	H1086 T2216 Y2238	H1086-Y2219 HydrophobicContact CB-CE2 4.06Å; H1086-Y2219 AromaticContact CD2-CE2 3.48Å; H1086-Y2219 VanDerWaalsContact CD2-CE2 3.48Å; H1086-Y2219 WeakPolarHBondContact CD2-CE2 3.16Å; H1086-Y2219 PolarHBondContact CE1-OH 2.66Å; H1086-Y2219 AromaticContact CG-CE2 3.74Å; H1086-Y2219 PolarHBondContact ND1-OH 2.75Å; T2216-Y2219 CarbonylContact O-C 3.57Å; T2216-Y2219 PolarHBondContact O-N 3Å; T2216-Y2219 PolarHBondContact OG1-N 2.96Å; Y2219-Y2238 AromaticContact CD1-CD2 3.76Å; Y2219-Y2238 HydrophobicContact CD1-CD2 3.76Å; Y2219-Y2238 AromaticContact CD1-CG 3.83Å; Y2219-Y2238 HydrophobicContact CD1-CG 3.83Å; Y2219-Y2238 AromaticContact CE1-CD2 3.97Å; Y2219-Y2238 HydrophobicContact CE1-CD2 3.97Å; Y2219-Y2238 HydrophobicContact CE1-CE2 4.42Å; Y2219-Y2238 HydrophobicContact CE1-CG 4.05Å; Y2219-Y2238 HydrophobicContact CG-CG 4.34Å
2220	P	63.2	Low	63.8	Low	52 Å²	52	65.4 Å²	65.4	34%	0.338	32%	0.316	S	S	.	.			trans	-62.9	143	174.1	28.8	-35.1	0	0	0	109.7	I2173 N2218 L2222	I2173-P2220 HydrophobicContact CD1-CB 4.5Å; N2218-P2220 VanDerWaalsContact C-CD 3.43Å; N2218-P2220 WeakPolarHBondContact O-CD 3.34Å; P2220-L2222 PolarHBondContact O-N 3.32Å
2221	P	65.7	Low	63.2	Low	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.335	C	S	.	.			trans	-74.6	129.6	-176.1	30.2	-35.1	0	0	0	111.3	Q2174 A2187 F2215 L2223 I2235 S2236	Q2174-P2221 PolarHBondContact NE2-O 3.12Å; Q2174-P2221 PolarHBondContact OE1-O 2.97Å; Q2174-P2221 VanDerWaalsContact OE1-O 3.04Å; A2187-P2221 HydrophobicContact CB-CG 3.39Å; F2215-P2221 HydrophobicContact CD1-CB 3.75Å; F2215-P2221 HydrophobicContact CD1-CG 3.59Å; F2215-P2221 HydrophobicContact CD2-CG 4.26Å; F2215-P2221 HydrophobicContact CE1-CB 3.54Å; F2215-P2221 HydrophobicContact CE1-CG 3.59Å; F2215-P2221 HydrophobicContact CE2-CG 4.25Å; F2215-P2221 HydrophobicContact CG-CG 3.94Å; F2215-P2221 HydrophobicContact CZ-CB 4.21Å; F2215-P2221 HydrophobicContact CZ-CG 3.93Å; P2221-L2223 HydrophobicContact CB-CD2 4.39Å; P2221-L2223 HydrophobicContact CG-CD2 4.37Å; P2221-L2223 PolarHBondContact O-N 3.29Å; P2221-I2235 HydrophobicContact CB-CG2 3.76Å; P2221-S2236 CarbonylContact C-O 3.48Å; P2221-S2236 VanDerWaalsContact CA-O 3.28Å; P2221-S2236 WeakPolarHBondContact CA-O 3.4Å
2222	L	66.4	Low	62.5	Low	103 Å²	103	65.8 Å²	65.8	54%	0.539	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	103.2	173.9	-88.7	164.8	0	0	0	110.3	P2220 S2236	P2220-L2222 PolarHBondContact O-N 3.32Å; L2222-S2236 PolarHBondContact N-O 3.02Å
2223	L	68.9	Low	62.1	Low	3 Å²	3	56.5 Å²	56.5	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	110.5	177.5	-56.5	-178	0	0	0	111.8	Q2174 T2176 I2185 A2187 L2193 P2221 I2235	Q2174-L2223 HydrophobicContact CB-CD1 4.44Å; Q2174-L2223 HydrophobicContact CG-CB 4.46Å; Q2174-L2223 HydrophobicContact CG-CD1 4.37Å; Q2174-L2223 HydrophobicContact CG-CG 4.29Å; T2176-L2223 VanDerWaalsContact CB-O 3.27Å; T2176-L2223 WeakPolarHBondContact CB-O 3.41Å; T2176-L2223 HydrophobicContact CG2-CB 3.48Å; T2176-L2223 VanDerWaalsContact CG2-CB 3.48Å; T2176-L2223 HydrophobicContact CG2-CD1 4.32Å; T2176-L2223 WeakPolarHBondContact CG2-O 3.46Å; T2176-L2223 PolarHBondContact OG1-O 2.95Å; I2185-L2223 HydrophobicContact CG2-CD1 4.27Å; A2187-L2223 HydrophobicContact CB-CD1 4.04Å; L2193-L2223 HydrophobicContact CD2-CD2 4.05Å; P2221-L2223 HydrophobicContact CB-CD2 4.39Å; P2221-L2223 HydrophobicContact CG-CD2 4.37Å; P2221-L2223 PolarHBondContact O-N 3.29Å; L2223-I2235 HydrophobicContact CD2-CB 4.24Å; L2223-I2235 HydrophobicContact CD2-CD1 4.03Å; L2223-I2235 HydrophobicContact CD2-CG1 3.74Å; L2223-I2235 HydrophobicContact CD2-CG2 3.89Å
2224	N	65.6	Low	61.6	Low	108 Å²	108	57 Å²	57	58%	0.578	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.1	174.2	-80.5	-21.8	0	0	0	111.1	I2233 S2234	N2224-I2233 WeakPolarHBondContact O-CA 3.44Å; N2224-S2234 PolarHBondContact N-O 3.23Å; N2224-S2234 PolarHBondContact O-N 3.12Å
2225	I	67.1	Low	61.2	Low	27 Å²	27	49.7 Å²	49.7	14%	0.138	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139.8	169.3	-43.4	-177.4	0	0	0	109.6	T2176 I2185 I2232 I2233	T2176-I2225 HydrophobicContact CG2-CD1 3.86Å; T2176-I2225 HydrophobicContact CG2-CG1 3.55Å; I2185-I2225 HydrophobicContact CB-CD1 4.28Å; I2185-I2225 HydrophobicContact CD1-CD1 3.65Å; I2185-I2225 HydrophobicContact CD1-CG1 4.03Å; I2185-I2225 HydrophobicContact CG1-CD1 3.79Å; I2225-I2232 WeakPolarHBondContact CA-O 3.39Å; I2225-I2233 HydrophobicContact CG1-CG1 4.44Å; I2225-I2233 HydrophobicContact CG2-CG1 4.49Å
2226	S	66	Low	60.5	Low	32 Å²	32	50.5 Å²	50.5	22%	0.224	26%	0.262	C	S	.	.			trans	-53.8	140.1	165.3	60.6	0	0	0	0	112.2	Y2228 G2229 N2230 K2231 I2232	S2226-Y2228 VanDerWaalsContact C-N 3.28Å; S2226-Y2228 PolarHBondContact O-N 3.31Å; S2226-Y2228 VanDerWaalsContact O-N 3.12Å; S2226-G2229 WeakPolarHBondContact O-CA 3.45Å; S2226-G2229 PolarHBondContact O-N 2.86Å; S2226-N2230 PolarHBondContact OG-N 3.32Å; S2226-K2231 PolarHBondContact OG-N 2.87Å; S2226-K2231 VanDerWaalsContact OG-N 3.16Å; S2226-I2232 PolarHBondContact N-O 3.16Å
2227	T	63.8	Low	59.8	Low	63 Å²	63	51.2 Å²	51.2	39%	0.387	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-42.6	-175.6	47.5	0	0	0	0	114.7	N2179 G2229	N2179-T2227 PolarHBondContact N-O 3.37Å; T2227-G2229 VanDerWaalsContact C-N 3.27Å; T2227-G2229 PolarHBondContact O-N 2.97Å
2228	Y	59.3	Low	58.9	Low	152 Å²	152	52.9 Å²	52.9	60%	0.596	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-16	178.7	-60.2	-73.9	0	0	0	114.3	Y2180 S2226 N2230	Y2180-Y2228 HydrophobicContact CD2-CD1 4.32Å; Y2180-Y2228 HydrophobicContact CE2-CD1 4.19Å; Y2180-Y2228 HydrophobicContact CE2-CE1 4.36Å; S2226-Y2228 VanDerWaalsContact C-N 3.28Å; S2226-Y2228 PolarHBondContact O-N 3.31Å; S2226-Y2228 VanDerWaalsContact O-N 3.12Å; Y2228-N2230 VanDerWaalsContact C-N 3.31Å; Y2228-N2230 PolarHBondContact O-OD1 2.96Å
2229	G	54.1	Low	57.9	Low	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	82.6	-0.4	-173	0	0	0	0	0	115.2	S2226 T2227	S2226-G2229 WeakPolarHBondContact O-CA 3.45Å; S2226-G2229 PolarHBondContact O-N 2.86Å; T2227-G2229 VanDerWaalsContact C-N 3.27Å; T2227-G2229 PolarHBondContact O-N 2.97Å
2230	N	53.9	Low	57.2	Low	68 Å²	68	59.5 Å²	59.5	36%	0.364	30%	0.302	S	S	.	.	S	Bend	trans	-105.7	-2.3	-159.4	-63.4	-4.3	0	0	0	116	N2181 S2226 Y2228 L2254	N2181-N2230 PolarHBondContact ND2-OD1 3.38Å; S2226-N2230 PolarHBondContact OG-N 3.32Å; Y2228-N2230 VanDerWaalsContact C-N 3.31Å; Y2228-N2230 PolarHBondContact O-OD1 2.96Å; N2230-L2254 HydrophobicContact CB-CD2 3.92Å; N2230-L2254 WeakPolarHBondContact OD1-CD2 3.32Å
2231	K	54.7	Low	56.3	Low	92 Å²	92	68.7 Å²	68.7	40%	0.4	33%	0.33	S	S	.	.	S	Bend	trans	-128.6	-79.3	-168	-65.3	-158	165.6	-155.3	0	116	S2226 L2273	S2226-K2231 PolarHBondContact OG-N 2.87Å; S2226-K2231 VanDerWaalsContact OG-N 3.16Å; K2231-L2273 HydrophobicContact CB-CD1 4.18Å; K2231-L2273 PolarHBondContact NZ-O 3.36Å; K2231-L2273 VanDerWaalsContact O-CD1 3.26Å; K2231-L2273 WeakPolarHBondContact O-CD1 3.28Å
2232	I	53.9	Low	55	Low	30 Å²	30	75 Å²	75	15%	0.154	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.3	-168.6	-65.6	111.3	0	0	0	111.7	I2225 S2226 L2271 L2273	I2225-I2232 WeakPolarHBondContact CA-O 3.39Å; S2226-I2232 PolarHBondContact N-O 3.16Å; I2232-L2271 HydrophobicContact CD1-CB 4.24Å; I2232-L2271 WeakPolarHBondContact CD1-O 3.49Å; I2232-L2271 HydrophobicContact CG1-CB 4.04Å; I2232-L2271 HydrophobicContact CG2-CB 4.17Å; I2232-L2271 HydrophobicContact CG2-CD1 3.62Å; I2232-L2273 HydrophobicContact CD1-CB 4.43Å; I2232-L2273 HydrophobicContact CD1-CD1 4.18Å; I2232-L2273 HydrophobicContact CD1-CG 4.1Å; I2232-L2273 HydrophobicContact CG1-CD1 3.85Å; I2232-L2273 HydrophobicContact CG1-CG 4Å
2233	I	54.3	Low	53.8	Low	3 Å²	3	77 Å²	77	2%	0.015	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	105	159.4	-55.7	143.8	0	0	0	108.1	I2185 N2224 I2225 I2235 I2256 C2257 L2258 I2259	I2185-I2233 HydrophobicContact CD1-CB 4.4Å; I2185-I2233 HydrophobicContact CD1-CD1 3.18Å; I2185-I2233 HydrophobicContact CD1-CG1 3.48Å; I2185-I2233 VanDerWaalsContact CD1-CG1 3.48Å; I2185-I2233 HydrophobicContact CD1-CG2 4.05Å; N2224-I2233 WeakPolarHBondContact O-CA 3.44Å; I2225-I2233 HydrophobicContact CG1-CG1 4.44Å; I2225-I2233 HydrophobicContact CG2-CG1 4.49Å; I2233-I2235 HydrophobicContact CG2-CD1 4.28Å; I2233-I2235 HydrophobicContact CG2-CG1 4.12Å; I2233-I2256 HydrophobicContact CD1-CB 4.36Å; I2233-I2256 HydrophobicContact CD1-CG2 3.45Å; I2233-I2256 VanDerWaalsContact CD1-CG2 3.45Å; I2233-I2256 HydrophobicContact CG1-CG2 4.18Å; I2233-C2257 PolarHBondContact N-O 3.49Å; I2233-C2257 VanDerWaalsContact N-O 3.12Å; I2233-L2258 HydrophobicContact CB-CB 4.4Å; I2233-L2258 HydrophobicContact CB-CD2 4.03Å; I2233-L2258 HydrophobicContact CB-CG 4.01Å; I2233-L2258 HydrophobicContact CD1-CD1 4.3Å; I2233-L2258 HydrophobicContact CD1-CD2 3.77Å; I2233-L2258 HydrophobicContact CD1-CG 3.6Å; I2233-L2258 HydrophobicContact CG1-CG 4.44Å; I2233-L2258 HydrophobicContact CG2-CD2 3.87Å; I2233-L2258 HydrophobicContact CG2-CG 4.4Å; I2233-L2258 WeakPolarHBondContact O-CA 3.33Å; I2233-I2259 PolarHBondContact O-N 2.94Å
2234	S	52.1	Low	52.9	Low	29 Å²	29	80.9 Å²	80.9	20%	0.203	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	141.7	174.4	-176.6	0	0	0	0	110	N2224	N2224-S2234 PolarHBondContact N-O 3.23Å; N2224-S2234 PolarHBondContact O-N 3.12Å
2235	I	53.4	Low	52.1	Low	4 Å²	4	77.6 Å²	77.6	2%	0.021	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	95.4	-176.7	-46.6	-174.9	0	0	0	109.3	L2193 F2215 P2221 L2223 I2233 L2258 I2259 N2261	L2193-I2235 HydrophobicContact CD1-CD1 3.23Å; L2193-I2235 HydrophobicContact CD2-CD1 3.85Å; L2193-I2235 HydrophobicContact CG-CD1 4.18Å; F2215-I2235 HydrophobicContact CE1-CG2 4.09Å; F2215-I2235 HydrophobicContact CZ-CG2 4.17Å; P2221-I2235 HydrophobicContact CB-CG2 3.76Å; L2223-I2235 HydrophobicContact CD2-CB 4.24Å; L2223-I2235 HydrophobicContact CD2-CD1 4.03Å; L2223-I2235 HydrophobicContact CD2-CG1 3.74Å; L2223-I2235 HydrophobicContact CD2-CG2 3.89Å; I2233-I2235 HydrophobicContact CG2-CD1 4.28Å; I2233-I2235 HydrophobicContact CG2-CG1 4.12Å; I2235-L2258 HydrophobicContact CD1-CB 4.42Å; I2235-L2258 HydrophobicContact CD1-CD2 3.99Å; I2235-I2259 PolarHBondContact N-O 3.01Å; I2235-I2259 VanDerWaalsContact N-O 3.07Å; I2235-N2261 PolarHBondContact O-N 2.77Å
2236	S	52.3	Low	51.3	Low	38 Å²	38	79.1 Å²	79.1	27%	0.266	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.1	174.7	59.3	0	0	0	0	111.6	P2221 L2222 I2262	P2221-S2236 CarbonylContact C-O 3.48Å; P2221-S2236 VanDerWaalsContact CA-O 3.28Å; P2221-S2236 WeakPolarHBondContact CA-O 3.4Å; L2222-S2236 PolarHBondContact N-O 3.02Å; S2236-I2262 WeakPolarHBondContact CB-O 3.17Å
2237	G	49.7	Very low	51	Low	30 Å²	30	80.6 Å²	80.6	31%	0.309	39%	0.387	S	S	.	.			trans	-158.4	159.5	179.6	0	0	0	0	0	111.2	I2239	G2237-I2239 PolarHBondContact O-N 2.74Å; G2237-I2239 VanDerWaalsContact O-N 3.16Å
2238	Y	49.7	Very low	50.6	Low	152 Å²	152	83.6 Å²	83.6	60%	0.596	40%	0.397	S	S	*	.			trans	-77.3	98.2	-174.4	-117.8	-96	0	0	0	111.2	Y2219	Y2219-Y2238 AromaticContact CD1-CD2 3.76Å; Y2219-Y2238 HydrophobicContact CD1-CD2 3.76Å; Y2219-Y2238 AromaticContact CD1-CG 3.83Å; Y2219-Y2238 HydrophobicContact CD1-CG 3.83Å; Y2219-Y2238 AromaticContact CE1-CD2 3.97Å; Y2219-Y2238 HydrophobicContact CE1-CD2 3.97Å; Y2219-Y2238 HydrophobicContact CE1-CE2 4.42Å; Y2219-Y2238 HydrophobicContact CE1-CG 4.05Å; Y2219-Y2238 HydrophobicContact CG-CG 4.34Å
2239	I	44	Very low	50.5	Low	60 Å²	60	77.4 Å²	77.4	31%	0.308	37%	0.374	S	S	.	.			trans	-132.6	141.1	178.3	-59.9	-178.8	0	0	0	109.9	K2214 G2237	K2214-I2239 HydrophobicContact CB-CD1 4.35Å; G2237-I2239 PolarHBondContact O-N 2.74Å; G2237-I2239 VanDerWaalsContact O-N 3.16Å
2240	K	43.6	Very low	50.7	Low	204 Å²	204	82.2 Å²	82.2	89%	0.887	40%	0.4	S	S	*	.	S	Bend	trans	-72.6	130.8	178.2	-68.4	-176.1	175.3	-175	0	111.5
2241	R	44.1	Very low	50.7	Low	244 Å²	244	79.3 Å²	79.3	92%	0.921	38%	0.384	S	S	*	.	S	Bend	trans	69	162.7	174.8	-66.4	-176.2	172.7	171.2	-2	115.9
2242	T	38.4	Very low	50.4	Low	132 Å²	132	78.4 Å²	78.4	81%	0.81	38%	0.383	S	S	*	.			trans	-105	110.9	-152.2	48	0	0	0	0	114
2243	Q	40.9	Very low	50.4	Low	146 Å²	146	85.1 Å²	85.1	68%	0.682	42%	0.42	S	S	*	.			trans	-150.6	102	168.3	-73.9	-174	-29.6	0	0	110.7	N2261	Q2243-N2261 WeakPolarHBondContact O-CB 3.48Å; Q2243-N2261 PolarHBondContact O-ND2 3.22Å
2244	I	50.1	Low	50.2	Low	85 Å²	85	86.9 Å²	86.9	44%	0.436	43%	0.429	S	S	.	.			trans	-66.7	132.4	169.4	-60.8	173.5	0	0	0	108.2	I2246 I2259 I2293	I2244-I2246 HydrophobicContact CG2-CG1 4.27Å; I2244-I2259 HydrophobicContact CG2-CG2 3.81Å; I2244-I2293 HydrophobicContact CD1-CD1 4.12Å; I2244-I2293 HydrophobicContact CG2-CD1 4.2Å
2245	T	48.1	Very low	50.2	Low	38 Å²	38	89.5 Å²	89.5	23%	0.233	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.6	-179.8	40.1	0	0	0	0	110	I2259 S2260 N2261	T2245-I2259 WeakPolarHBondContact O-CA 3.45Å; T2245-S2260 PolarHBondContact N-O 2.94Å; T2245-S2260 PolarHBondContact O-N 3.29Å; T2245-S2260 PolarHBondContact O-OG 2.89Å; T2245-S2260 PolarHBondContact OG1-O 3.09Å; T2245-S2260 PolarHBondContact OG1-OG 3.39Å; T2245-N2261 PolarHBondContact OG1-ND2 3.23Å
2246	I	51.3	Low	50.2	Low	59 Å²	59	89.4 Å²	89.4	30%	0.303	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.7	-175.4	-52.9	-172.8	0	0	0	108.8	I2244 L2258 I2259 L2280 I2293	I2244-I2246 HydrophobicContact CG2-CG1 4.27Å; I2246-L2258 WeakPolarHBondContact CA-O 3.38Å; I2246-I2259 HydrophobicContact CD1-CD1 4.15Å; I2246-I2259 HydrophobicContact CD1-CG1 4.38Å; I2246-I2259 HydrophobicContact CG1-CD1 4.43Å; I2246-I2259 HydrophobicContact CG1-CG1 4.14Å; I2246-I2259 HydrophobicContact CG1-CG2 4.3Å; I2246-I2259 HydrophobicContact CG2-CG1 4.31Å; I2246-L2280 HydrophobicContact CD1-CD1 3.74Å; I2246-L2280 HydrophobicContact CD1-CD2 4.22Å; I2246-L2280 HydrophobicContact CD1-CG 4.5Å; I2246-L2280 HydrophobicContact CG2-CD1 4.07Å; I2246-I2293 HydrophobicContact CD1-CD1 4.41Å; I2246-I2293 HydrophobicContact CD1-CG2 4.18Å
2247	W	59.5	Low	50.2	Low	64 Å²	64	88.6 Å²	88.6	24%	0.242	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.6	178.4	-43.7	85.8	0	0	0	108.7	L2207 Q2208 C2257 L2258 S2260	L2207-W2247 HydrophobicContact CD2-CB 4.06Å; Q2208-W2247 WeakPolarHBondContact O-CZ3 3.41Å; W2247-C2257 WeakPolarHBondContact O-CA 3.1Å; W2247-L2258 HydrophobicContact CB-CB 4.27Å; W2247-L2258 HydrophobicContact CB-CD1 4.11Å; W2247-L2258 PolarHBondContact N-O 2.73Å; W2247-L2258 PolarHBondContact O-N 3.44Å; W2247-S2260 PolarHBondContact NE1-OG 3.17Å
2248	Q	56.1	Low	50.5	Low	125 Å²	125	87.2 Å²	87.2	58%	0.584	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.8	168.3	-176.3	179.5	-32.7	0	0	109	D2250	Q2248-D2250 VanDerWaalsContact CG-OD1 3.31Å; Q2248-D2250 WeakPolarHBondContact CG-OD1 3.21Å; Q2248-D2250 PolarHBondContact NE2-OD1 3.1Å; Q2248-D2250 PolarHBondContact NE2-OD2 3.16Å
2249	L	56.6	Low	50.8	Low	22 Å²	22	80.2 Å²	80.2	12%	0.115	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	103.7	179.2	-143	-170	0	0	0	109.4	C2195 I2205 L2207 I2251 I2256 L2258	C2195-L2249 HydrophobicContact CB-CD1 4.06Å; I2205-L2249 HydrophobicContact CD1-CD2 4.23Å; I2205-L2249 HydrophobicContact CG2-CD2 4.3Å; L2207-L2249 HydrophobicContact CD1-CD1 4.14Å; L2207-L2249 HydrophobicContact CD2-CB 4.4Å; L2207-L2249 HydrophobicContact CD2-CD1 3.77Å; L2207-L2249 HydrophobicContact CD2-CG 3.9Å; L2207-L2249 HydrophobicContact CG-CD1 3.88Å; L2249-I2251 HydrophobicContact CD1-CD1 4.32Å; L2249-I2251 HydrophobicContact CD2-CD1 4.16Å; L2249-I2251 HydrophobicContact CD2-CG1 3.74Å; L2249-I2251 PolarHBondContact O-N 3.29Å; L2249-I2256 PolarHBondContact N-O 3.38Å; L2249-I2256 PolarHBondContact O-N 3.45Å; L2249-L2258 HydrophobicContact CB-CD1 3.97Å; L2249-L2258 HydrophobicContact CD1-CD1 4.28Å
2250	D	58	Low	51.2	Low	102 Å²	102	77.3 Å²	77.3	55%	0.545	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	103.1	-176.3	-69	-1.7	0	0	0	110.5	Q2248 T2255	Q2248-D2250 VanDerWaalsContact CG-OD1 3.31Å; Q2248-D2250 WeakPolarHBondContact CG-OD1 3.21Å; Q2248-D2250 PolarHBondContact NE2-OD1 3.1Å; Q2248-D2250 PolarHBondContact NE2-OD2 3.16Å; D2250-T2255 WeakPolarHBondContact OD1-CA 3.45Å; D2250-T2255 WeakPolarHBondContact OD1-CG2 3.39Å
2251	I	53.6	Low	51.6	Low	7 Å²	7	69.6 Å²	69.6	4%	0.036	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	94.2	-179.3	-51.2	-175.7	0	0	0	109.9	C2195 I2205 L2249 L2254 I2256	C2195-I2251 WeakPolarHBondContact SG-CD1 3.43Å; I2205-I2251 HydrophobicContact CD1-CD1 4.16Å; I2205-I2251 HydrophobicContact CD1-CG1 4.15Å; L2249-I2251 HydrophobicContact CD1-CD1 4.32Å; L2249-I2251 HydrophobicContact CD2-CD1 4.16Å; L2249-I2251 HydrophobicContact CD2-CG1 3.74Å; L2249-I2251 PolarHBondContact O-N 3.29Å; I2251-L2254 PolarHBondContact N-O 2.82Å; I2251-L2254 PolarHBondContact O-N 2.93Å; I2251-I2256 HydrophobicContact CD1-CD1 3.97Å; I2251-I2256 HydrophobicContact CG1-CD1 4.37Å
2252	N	48	Very low	51.8	Low	72 Å²	72	59.2 Å²	59.2	39%	0.385	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	70	172.5	-58.6	-33.7	0	0	0	112.3	K2200 L2254	K2200-N2252 HydrophobicContact CD-CB 4.17Å; N2252-L2254 PolarHBondContact O-N 2.67Å
2253	D	53.8	Low	52	Low	171 Å²	171	56.9 Å²	56.9	91%	0.914	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	0.2	-177.6	-47.4	-45.9	0	0	0	116.6
2254	L	50.2	Low	52.2	Low	40 Å²	40	57.8 Å²	57.8	21%	0.209	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	106.3	170.9	-73.2	166.2	0	0	0	111.3	N2181 N2230 I2251 N2252 I2256	N2181-L2254 WeakPolarHBondContact ND2-CD1 3.47Å; N2230-L2254 HydrophobicContact CB-CD2 3.92Å; N2230-L2254 WeakPolarHBondContact OD1-CD2 3.32Å; I2251-L2254 PolarHBondContact N-O 2.82Å; I2251-L2254 PolarHBondContact O-N 2.93Å; N2252-L2254 PolarHBondContact O-N 2.67Å; L2254-I2256 HydrophobicContact CB-CG1 4.35Å; L2254-I2256 PolarHBondContact O-N 2.9Å
2255	T	52.9	Low	51.9	Low	84 Å²	84	59.8 Å²	59.8	52%	0.515	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	96.8	170.8	57.9	0	0	0	0	109.4	D2250	D2250-T2255 WeakPolarHBondContact OD1-CA 3.45Å; D2250-T2255 WeakPolarHBondContact OD1-CG2 3.39Å
2256	I	54.1	Low	51.5	Low	3 Å²	3	64.4 Å²	64.4	2%	0.015	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.4	-177.2	-33.9	-179.1	0	0	0	110.3	I2183 I2233 L2249 I2251 L2254	I2183-I2256 HydrophobicContact CD1-CD1 4.09Å; I2233-I2256 HydrophobicContact CD1-CB 4.36Å; I2233-I2256 HydrophobicContact CD1-CG2 3.45Å; I2233-I2256 VanDerWaalsContact CD1-CG2 3.45Å; I2233-I2256 HydrophobicContact CG1-CG2 4.18Å; L2249-I2256 PolarHBondContact N-O 3.38Å; L2249-I2256 PolarHBondContact O-N 3.45Å; I2251-I2256 HydrophobicContact CD1-CD1 3.97Å; I2251-I2256 HydrophobicContact CG1-CD1 4.37Å; L2254-I2256 HydrophobicContact CB-CG1 4.35Å; L2254-I2256 PolarHBondContact O-N 2.9Å
2257	C	52.3	Low	50.9	Low	21 Å²	21	63.1 Å²	63.1	14%	0.142	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.1	174	-70.3	0	0	0	0	111.2	I2233 W2247 L2273	I2233-C2257 PolarHBondContact N-O 3.49Å; I2233-C2257 VanDerWaalsContact N-O 3.12Å; W2247-C2257 WeakPolarHBondContact O-CA 3.1Å; C2257-L2273 HydrophobicContact CB-CD1 4.43Å
2258	L	55.8	Low	49.9	Very low	1 Å²	1	65.8 Å²	65.8	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136	163.3	-55.2	101.3	0	0	0	109.3	L2193 L2207 I2233 I2235 I2246 W2247 L2249	L2193-L2258 HydrophobicContact CD1-CD2 4.38Å; L2207-L2258 HydrophobicContact CD1-CD1 3.65Å; L2207-L2258 HydrophobicContact CD1-CD2 3.42Å; L2207-L2258 VanDerWaalsContact CD1-CD2 3.42Å; L2207-L2258 HydrophobicContact CD1-CG 4.15Å; L2207-L2258 HydrophobicContact CD2-CD1 3.75Å; L2207-L2258 HydrophobicContact CG-CD1 4.33Å; I2233-L2258 HydrophobicContact CB-CB 4.4Å; I2233-L2258 HydrophobicContact CB-CD2 4.03Å; I2233-L2258 HydrophobicContact CB-CG 4.01Å; I2233-L2258 HydrophobicContact CD1-CD1 4.3Å; I2233-L2258 HydrophobicContact CD1-CD2 3.77Å; I2233-L2258 HydrophobicContact CD1-CG 3.6Å; I2233-L2258 HydrophobicContact CG1-CG 4.44Å; I2233-L2258 HydrophobicContact CG2-CD2 3.87Å; I2233-L2258 HydrophobicContact CG2-CG 4.4Å; I2233-L2258 WeakPolarHBondContact O-CA 3.33Å; I2235-L2258 HydrophobicContact CD1-CB 4.42Å; I2235-L2258 HydrophobicContact CD1-CD2 3.99Å; I2246-L2258 WeakPolarHBondContact CA-O 3.38Å; W2247-L2258 HydrophobicContact CB-CB 4.27Å; W2247-L2258 HydrophobicContact CB-CD1 4.11Å; W2247-L2258 PolarHBondContact N-O 2.73Å; W2247-L2258 PolarHBondContact O-N 3.44Å; L2249-L2258 HydrophobicContact CB-CD1 3.97Å; L2249-L2258 HydrophobicContact CD1-CD1 4.28Å
2259	I	54.8	Low	49.1	Very low	4 Å²	4	61.8 Å²	61.8	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	110.5	170.6	-53.3	-171.3	0	0	0	108.2	I2233 I2235 I2244 T2245 I2246 I2262 L2271 L2280	I2233-I2259 PolarHBondContact O-N 2.94Å; I2235-I2259 PolarHBondContact N-O 3.01Å; I2235-I2259 VanDerWaalsContact N-O 3.07Å; I2244-I2259 HydrophobicContact CG2-CG2 3.81Å; T2245-I2259 WeakPolarHBondContact O-CA 3.45Å; I2246-I2259 HydrophobicContact CD1-CD1 4.15Å; I2246-I2259 HydrophobicContact CD1-CG1 4.38Å; I2246-I2259 HydrophobicContact CG1-CD1 4.43Å; I2246-I2259 HydrophobicContact CG1-CG1 4.14Å; I2246-I2259 HydrophobicContact CG1-CG2 4.3Å; I2246-I2259 HydrophobicContact CG2-CG1 4.31Å; I2259-I2262 HydrophobicContact CG2-CD1 3.99Å; I2259-I2262 HydrophobicContact CG2-CG1 4Å; I2259-L2271 HydrophobicContact CD1-CD1 3.91Å; I2259-L2271 HydrophobicContact CD1-CD2 3.86Å; I2259-L2280 HydrophobicContact CD1-CD2 3.89Å
2260	S	53.1	Low	48.2	Very low	0 Å²	0	66 Å²	66	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	150.6	170.6	41.6	0	0	0	0	111.9	T2245 W2247	T2245-S2260 PolarHBondContact N-O 2.94Å; T2245-S2260 PolarHBondContact O-N 3.29Å; T2245-S2260 PolarHBondContact O-OG 2.89Å; T2245-S2260 PolarHBondContact OG1-O 3.09Å; T2245-S2260 PolarHBondContact OG1-OG 3.39Å; W2247-S2260 PolarHBondContact NE1-OG 3.17Å
2261	N	51.9	Low	47.3	Very low	42 Å²	42	62.1 Å²	62.1	23%	0.225	32%	0.324	C	S	.	.			trans	69	54.1	177.9	-50.2	-22.8	0	0	0	114.4	L2213 I2235 Q2243 T2245	L2213-N2261 WeakPolarHBondContact CD2-OD1 3.27Å; I2235-N2261 PolarHBondContact O-N 2.77Å; Q2243-N2261 WeakPolarHBondContact O-CB 3.48Å; Q2243-N2261 PolarHBondContact O-ND2 3.22Å; T2245-N2261 PolarHBondContact OG1-ND2 3.23Å
2262	I	47.6	Very low	46.7	Very low	25 Å²	25	67.1 Å²	67.1	13%	0.128	35%	0.347	C	S	.	.			trans	-87	114.3	159.1	-62.1	178.3	0	0	0	107.8	S2236 I2259 I2269 L2271	S2236-I2262 WeakPolarHBondContact CB-O 3.17Å; I2259-I2262 HydrophobicContact CG2-CD1 3.99Å; I2259-I2262 HydrophobicContact CG2-CG1 4Å; I2262-I2269 HydrophobicContact CG2-CD1 3.57Å; I2262-L2271 HydrophobicContact CD1-CD1 3.88Å
2263	C	43.3	Very low	46.2	Very low	83 Å²	83	65.6 Å²	65.6	56%	0.561	34%	0.339	S	S	*	.			trans	-126.5	96.1	-176.8	-166.7	0	0	0	0	110.8
2264	Y	45	Very low	45.7	Very low	166 Å²	166	60.8 Å²	60.8	65%	0.651	32%	0.315	S	S	*	.			trans	-149.9	127.3	163.7	-110.1	-83.5	0	0	0	107	N2267	Y2264-N2267 VanDerWaalsContact CD1-ND2 3.31Å; Y2264-N2267 WeakPolarHBondContact CD1-ND2 3.45Å
2265	I	43.8	Very low	45	Very low	126 Å²	126	66.2 Å²	66.2	65%	0.646	35%	0.345	S	S	*	.	S	Bend	trans	-75.1	-34.4	-167.7	-69.7	172.5	0	0	0	112.1
2266	D	40.5	Very low	44.3	Very low	135 Å²	135	69.4 Å²	69.4	72%	0.722	35%	0.354	S	S	*	.	S	Bend	trans	-109.9	1	-169.8	-51.6	-76.4	0	0	0	115.1
2267	N	37.9	Very low	44	Very low	32 Å²	32	79.4 Å²	79.4	17%	0.171	40%	0.397	C	S	.	.			trans	-114	116.5	-170.9	-66.7	-27.4	0	0	0	112.5	Y2264 I2269 V2284 N2286	Y2264-N2267 VanDerWaalsContact CD1-ND2 3.31Å; Y2264-N2267 WeakPolarHBondContact CD1-ND2 3.45Å; N2267-I2269 HydrophobicContact CB-CG1 4.49Å; N2267-I2269 PolarHBondContact O-N 3.09Å; N2267-V2284 HydrophobicContact CB-CG1 3.93Å; N2267-N2286 WeakPolarHBondContact OD1-CB 3.47Å; N2267-N2286 PolarHBondContact OD1-ND2 2.84Å
2268	I	38.1	Very low	43.7	Very low	120 Å²	120	84.3 Å²	84.3	62%	0.615	42%	0.421	S	S	*	.			trans	-67.5	124.2	161.7	-59.1	174.5	0	0	0	108	M2285	I2268-M2285 HydrophobicContact CB-CE 3.8Å; I2268-M2285 HydrophobicContact CD1-CE 3.93Å; I2268-M2285 HydrophobicContact CG1-CE 4.41Å; I2268-M2285 HydrophobicContact CG2-CE 3.93Å; I2268-M2285 PolarHBondContact O-N 3.44Å
2269	I	40.1	Very low	42.9	Very low	41 Å²	41	88.5 Å²	88.5	21%	0.21	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.8	178.9	-67.3	175.2	0	0	0	108.1	I2262 N2267 L2271 I2282 V2284	I2262-I2269 HydrophobicContact CG2-CD1 3.57Å; N2267-I2269 HydrophobicContact CB-CG1 4.49Å; N2267-I2269 PolarHBondContact O-N 3.09Å; I2269-L2271 HydrophobicContact CG2-CD2 4.49Å; I2269-L2271 HydrophobicContact CG2-CG 4.48Å; I2269-I2282 HydrophobicContact CG2-CG2 3.5Å; I2269-V2284 HydrophobicContact CD1-CG2 4.23Å; I2269-V2284 HydrophobicContact CG1-CB 4.37Å; I2269-V2284 HydrophobicContact CG1-CG1 4.06Å; I2269-V2284 HydrophobicContact CG1-CG2 4.05Å
2270	E	37.6	Very low	42.5	Very low	112 Å²	112	89.1 Å²	89.1	52%	0.523	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	120.1	173.5	-170.5	171.4	-166.1	0	0	108.5	T2283	E2270-T2283 PolarHBondContact N-O 3.2Å; E2270-T2283 PolarHBondContact O-N 3.07Å; E2270-T2283 VanDerWaalsContact O-O 3.06Å; E2270-T2283 PolarHBondContact O-OG1 2.83Å
2271	L	39.6	Very low	41.9	Very low	20 Å²	20	90.1 Å²	90.1	11%	0.105	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	115.5	177.1	-71.9	166.7	0	0	0	108.8	I2232 I2259 I2262 I2269 I2282	I2232-L2271 HydrophobicContact CD1-CB 4.24Å; I2232-L2271 WeakPolarHBondContact CD1-O 3.49Å; I2232-L2271 HydrophobicContact CG1-CB 4.04Å; I2232-L2271 HydrophobicContact CG2-CB 4.17Å; I2232-L2271 HydrophobicContact CG2-CD1 3.62Å; I2259-L2271 HydrophobicContact CD1-CD1 3.91Å; I2259-L2271 HydrophobicContact CD1-CD2 3.86Å; I2262-L2271 HydrophobicContact CD1-CD1 3.88Å; I2269-L2271 HydrophobicContact CG2-CD2 4.49Å; I2269-L2271 HydrophobicContact CG2-CG 4.48Å; L2271-I2282 HydrophobicContact CD2-CB 4.25Å; L2271-I2282 HydrophobicContact CD2-CD1 4.18Å; L2271-I2282 HydrophobicContact CD2-CG1 3.74Å; L2271-I2282 HydrophobicContact CD2-CG2 4.04Å
2272	Q	40	Very low	41.7	Very low	112 Å²	112	88.7 Å²	88.7	52%	0.523	45%	0.445	S	S	.	.			trans	-113.4	94.9	-177.3	-165.7	173	87.4	0	0	110.5	T2274	Q2272-T2274 PolarHBondContact O-N 3Å
2273	L	38.4	Very low	41.4	Very low	40 Å²	40	89.6 Å²	89.6	21%	0.209	45%	0.452	C	S	.	.			trans	-69.6	92.3	172.2	-75.5	177.5	0	0	0	110.9	K2231 I2232 C2257 L2280	K2231-L2273 HydrophobicContact CB-CD1 4.18Å; K2231-L2273 PolarHBondContact NZ-O 3.36Å; K2231-L2273 VanDerWaalsContact O-CD1 3.26Å; K2231-L2273 WeakPolarHBondContact O-CD1 3.28Å; I2232-L2273 HydrophobicContact CD1-CB 4.43Å; I2232-L2273 HydrophobicContact CD1-CD1 4.18Å; I2232-L2273 HydrophobicContact CD1-CG 4.1Å; I2232-L2273 HydrophobicContact CG1-CD1 3.85Å; I2232-L2273 HydrophobicContact CG1-CG 4Å; C2257-L2273 HydrophobicContact CB-CD1 4.43Å; L2273-L2280 HydrophobicContact CD2-CD1 4.42Å; L2273-L2280 HydrophobicContact CD2-CD2 4.31Å; L2273-L2280 HydrophobicContact CD2-CG 3.97Å
2274	T	42.5	Very low	41.5	Very low	69 Å²	69	86.3 Å²	86.3	42%	0.423	43%	0.43	S	S	.	.			trans	-66.9	138.3	160.8	43.5	0	0	0	0	110.2	Q2272 E2276	Q2272-T2274 PolarHBondContact O-N 3Å; T2274-E2276 PolarHBondContact O-N 2.93Å
2275	N	34.7	Very low	41.3	Very low	154 Å²	154	83.4 Å²	83.4	82%	0.824	42%	0.423	S	S	*	.	S	Bend	trans	-86.6	31.5	-160.8	-144.9	64.2	0	0	0	114.6
2276	E	39.2	Very low	41.5	Very low	151 Å²	151	82.9 Å²	82.9	71%	0.706	42%	0.422	S	S	*	.			trans	-105.8	127.4	-178.8	-64.7	-168.2	166.6	0	0	110.5	T2274 L2278 L2279	T2274-E2276 PolarHBondContact O-N 2.93Å; E2276-L2278 PolarHBondContact O-N 3.1Å; E2276-L2279 PolarHBondContact O-N 2.79Å
2277	K	48	Very low	41.7	Very low	214 Å²	214	81.5 Å²	81.5	93%	0.93	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	7.4	-159.4	-62.5	-174.2	174.7	-173.8	0	117.3
2278	L	45.1	Very low	41.8	Very low	123 Å²	123	87.5 Å²	87.5	64%	0.644	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.4	-11.5	-171.4	-70.6	171.3	0	0	0	114.8	E2276	E2276-L2278 PolarHBondContact O-N 3.1Å
2279	L	39.6	Very low	41.9	Very low	89 Å²	89	89.1 Å²	89.1	47%	0.466	45%	0.449	S	S	.	.			trans	-121.6	123.7	-173.7	-101.5	70.7	0	0	0	112	E2276 L2292	E2276-L2279 PolarHBondContact O-N 2.79Å; L2279-L2292 HydrophobicContact CD2-CD1 4.11Å; L2279-L2292 HydrophobicContact CD2-CD2 3.93Å; L2279-L2292 HydrophobicContact CG-CD2 4.24Å
2280	L	46.1	Very low	42	Very low	17 Å²	17	91.2 Å²	91.2	9%	0.089	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.7	174.6	-144.2	153.9	0	0	0	109.5	I2246 I2259 L2273 L2292 I2293	I2246-L2280 HydrophobicContact CD1-CD1 3.74Å; I2246-L2280 HydrophobicContact CD1-CD2 4.22Å; I2246-L2280 HydrophobicContact CD1-CG 4.5Å; I2246-L2280 HydrophobicContact CG2-CD1 4.07Å; I2259-L2280 HydrophobicContact CD1-CD2 3.89Å; L2273-L2280 HydrophobicContact CD2-CD1 4.42Å; L2273-L2280 HydrophobicContact CD2-CD2 4.31Å; L2273-L2280 HydrophobicContact CD2-CG 3.97Å; L2280-L2292 WeakPolarHBondContact O-CA 3.29Å; L2280-I2293 PolarHBondContact N-O 3.12Å; L2280-I2293 PolarHBondContact O-N 3.23Å
2281	C	42	Very low	42.2	Very low	22 Å²	22	90.9 Å²	90.9	15%	0.149	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.1	-171.5	-171	0	0	0	0	112.2	L2292	C2281-L2292 HydrophobicContact CB-CD2 4.29Å
2282	I	46.8	Very low	42.5	Very low	11 Å²	11	95.2 Å²	95.2	6%	0.056	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.8	178.8	-53.4	-171.9	0	0	0	109.6	I2269 L2271 V2284 P2290 L2291 I2293	I2269-I2282 HydrophobicContact CG2-CG2 3.5Å; L2271-I2282 HydrophobicContact CD2-CB 4.25Å; L2271-I2282 HydrophobicContact CD2-CD1 4.18Å; L2271-I2282 HydrophobicContact CD2-CG1 3.74Å; L2271-I2282 HydrophobicContact CD2-CG2 4.04Å; I2282-V2284 HydrophobicContact CG2-CG2 4.37Å; I2282-P2290 WeakPolarHBondContact O-CA 3.41Å; I2282-L2291 HydrophobicContact CB-CB 4.31Å; I2282-L2291 PolarHBondContact N-O 2.93Å; I2282-L2291 PolarHBondContact O-N 2.59Å; I2282-I2293 HydrophobicContact CD1-CD1 3.59Å; I2282-I2293 HydrophobicContact CD1-CG1 4.32Å
2283	T	41.9	Very low	42.6	Very low	45 Å²	45	92 Å²	92	28%	0.276	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.1	176.2	27.8	0	0	0	0	111.3	E2270	E2270-T2283 PolarHBondContact N-O 3.2Å; E2270-T2283 PolarHBondContact O-N 3.07Å; E2270-T2283 VanDerWaalsContact O-O 3.06Å; E2270-T2283 PolarHBondContact O-OG1 2.83Å
2284	V	45	Very low	42.6	Very low	14 Å²	14	95.2 Å²	95.2	9%	0.085	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	116.3	-178.8	-174.5	0	0	0	0	108.9	N2267 I2269 I2282 N2286 L2287 N2288	N2267-V2284 HydrophobicContact CB-CG1 3.93Å; I2269-V2284 HydrophobicContact CD1-CG2 4.23Å; I2269-V2284 HydrophobicContact CG1-CB 4.37Å; I2269-V2284 HydrophobicContact CG1-CG1 4.06Å; I2269-V2284 HydrophobicContact CG1-CG2 4.05Å; I2282-V2284 HydrophobicContact CG2-CG2 4.37Å; V2284-N2286 VanDerWaalsContact C-N 3.26Å; V2284-N2286 PolarHBondContact O-N 3.28Å; V2284-N2286 VanDerWaalsContact O-N 3.14Å; V2284-L2287 HydrophobicContact CB-CB 4.25Å; V2284-L2287 HydrophobicContact CG1-CB 4.42Å; V2284-L2287 HydrophobicContact CG1-CD1 4.3Å; V2284-L2287 PolarHBondContact O-N 3.16Å; V2284-N2288 PolarHBondContact O-N 3.45Å
2285	M	41	Very low	42.6	Very low	104 Å²	104	95.9 Å²	95.9	51%	0.512	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.8	-167.6	-71.2	-138.2	-71	0	0	114.3	I2268	I2268-M2285 HydrophobicContact CB-CE 3.8Å; I2268-M2285 HydrophobicContact CD1-CE 3.93Å; I2268-M2285 HydrophobicContact CG1-CE 4.41Å; I2268-M2285 HydrophobicContact CG2-CE 3.93Å; I2268-M2285 PolarHBondContact O-N 3.44Å
2286	N	48.4	Very low	42.9	Very low	115 Å²	115	94.2 Å²	94.2	62%	0.615	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	2.7	179.3	-71	-20.7	0	0	0	114.6	N2267 V2284	N2267-N2286 WeakPolarHBondContact OD1-CB 3.47Å; N2267-N2286 PolarHBondContact OD1-ND2 2.84Å; V2284-N2286 VanDerWaalsContact C-N 3.26Å; V2284-N2286 PolarHBondContact O-N 3.28Å; V2284-N2286 VanDerWaalsContact O-N 3.14Å
2287	L	43.6	Very low	42.7	Very low	106 Å²	106	98.3 Å²	98.3	56%	0.555	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.7	-16.5	-177.1	-82.7	173.2	0	0	0	115.4	V2284 K2289	V2284-L2287 HydrophobicContact CB-CB 4.25Å; V2284-L2287 HydrophobicContact CG1-CB 4.42Å; V2284-L2287 HydrophobicContact CG1-CD1 4.3Å; V2284-L2287 PolarHBondContact O-N 3.16Å; L2287-K2289 PolarHBondContact O-N 3.3Å
2288	N	39.4	Very low	41.9	Very low	158 Å²	158	95.4 Å²	95.4	85%	0.845	49%	0.493	S	S	*	.			trans	50.4	20.8	179	-83.3	-20.7	0	0	0	115.9	V2284	V2284-N2288 PolarHBondContact O-N 3.45Å
2289	K	41.3	Very low	41	Very low	155 Å²	155	96.9 Å²	96.9	67%	0.674	50%	0.501	S	S	*	.			trans	-118.2	128.6	176.2	-74	-179.2	177.5	179.2	0	109.8	L2287	L2287-K2289 PolarHBondContact O-N 3.3Å
2290	P	42.5	Very low	40.5	Very low	85 Å²	85	99.6 Å²	99.6	55%	0.552	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	136.6	168.3	30	-32.6	0	0	0	110	I2282	I2282-P2290 WeakPolarHBondContact O-CA 3.41Å
2291	L	41	Very low	39.8	Very low	104 Å²	104	105.5 Å²	105.5	55%	0.545	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.7	167.2	-76.3	163.7	0	0	0	108.9	I2282	I2282-L2291 HydrophobicContact CB-CB 4.31Å; I2282-L2291 PolarHBondContact N-O 2.93Å; I2282-L2291 PolarHBondContact O-N 2.59Å
2292	L	45.1	Very low	39.1	Very low	112 Å²	112	111.4 Å²	111.4	59%	0.586	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105	138.3	178.7	-66	175.6	0	0	0	110.2	L2279 L2280 C2281	L2279-L2292 HydrophobicContact CD2-CD1 4.11Å; L2279-L2292 HydrophobicContact CD2-CD2 3.93Å; L2279-L2292 HydrophobicContact CG-CD2 4.24Å; L2280-L2292 WeakPolarHBondContact O-CA 3.29Å; C2281-L2292 HydrophobicContact CB-CD2 4.29Å
2293	I	43.4	Very low	38.3	Very low	45 Å²	45	117.6 Å²	117.6	23%	0.231	61%	0.611	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.4	132.2	174	-58.4	-174.4	0	0	0	109.4	I2244 I2246 L2280 I2282	I2244-I2293 HydrophobicContact CD1-CD1 4.12Å; I2244-I2293 HydrophobicContact CG2-CD1 4.2Å; I2246-I2293 HydrophobicContact CD1-CD1 4.41Å; I2246-I2293 HydrophobicContact CD1-CG2 4.18Å; L2280-I2293 PolarHBondContact N-O 3.12Å; L2280-I2293 PolarHBondContact O-N 3.23Å; I2282-I2293 HydrophobicContact CD1-CD1 3.59Å; I2282-I2293 HydrophobicContact CD1-CG1 4.32Å
2294	D	39.1	Very low	37.8	Very low	107 Å²	107	121.8 Å²	121.8	57%	0.572	63%	0.632	S	S	*	*			trans	-87.6	127.2	171.9	-173.2	-37.6	0	0	0	109.5	N2296	D2294-N2296 VanDerWaalsContact C-N 3.32Å; D2294-N2296 PolarHBondContact O-N 2.85Å; D2294-N2296 WeakPolarHBondContact OD1-CB 3.48Å; D2294-N2296 PolarHBondContact OD1-N 2.91Å; D2294-N2296 PolarHBondContact OD1-ND2 2.76Å
2295	P	42.3	Very low	37.1	Very low	82 Å²	82	127.2 Å²	127.2	53%	0.532	66%	0.66	S	S	.	*	S	Bend	trans	-75.9	-7.8	-175.3	30.1	-35.9	0	0	0	115.5	W2297	P2295-W2297 VanDerWaalsContact C-N 3.29Å; P2295-W2297 PolarHBondContact O-N 2.96Å; P2295-W2297 VanDerWaalsContact O-N 3.07Å
2296	N	41.3	Very low	36.7	Very low	120 Å²	120	128.6 Å²	128.6	64%	0.642	67%	0.67	S	S	*	*			trans	-79.8	18.3	-165	-68.6	-71.8	0	0	0	116.7	D2294 N2298	D2294-N2296 VanDerWaalsContact C-N 3.32Å; D2294-N2296 PolarHBondContact O-N 2.85Å; D2294-N2296 WeakPolarHBondContact OD1-CB 3.48Å; D2294-N2296 PolarHBondContact OD1-N 2.91Å; D2294-N2296 PolarHBondContact OD1-ND2 2.76Å; N2296-N2298 VanDerWaalsContact C-N 3.34Å; N2296-N2298 PolarHBondContact O-N 3.16Å; N2296-N2298 VanDerWaalsContact O-N 3.16Å
2297	W	35	Very low	35.8	Very low	236 Å²	236	130.1 Å²	130.1	89%	0.894	68%	0.678	S	S	*	*			trans	-78	-1.4	-160.2	-137.6	-12.7	0	0	0	117.3	P2295	P2295-W2297 VanDerWaalsContact C-N 3.29Å; P2295-W2297 PolarHBondContact O-N 2.96Å; P2295-W2297 VanDerWaalsContact O-N 3.07Å
2298	N	29.5	Very low	35.3	Very low	154 Å²	154	134.6 Å²	134.6	82%	0.824	71%	0.713	S	S	*	*			trans	-100.6	93.6	-179.2	-88	-13.3	0	0	0	113	N2296	N2296-N2298 VanDerWaalsContact C-N 3.34Å; N2296-N2298 PolarHBondContact O-N 3.16Å; N2296-N2298 VanDerWaalsContact O-N 3.16Å
2299	N	27.9	Very low	35.1	Very low	154 Å²	154	133.4 Å²	133.4	82%	0.824	71%	0.706	S	S	*	*			trans	-169.9	96.1	159.5	-101.4	-37.2	0	0	0	111.4
2300	N	29.1	Very low	34.8	Very low	146 Å²	146	132.3 Å²	132.3	78%	0.781	71%	0.708	S	S	*	*			trans	-175.5	129.9	157.4	-99.4	-39.9	0	0	0	112.3
2301	N	30.7	Very low	34.4	Very low	140 Å²	140	134.9 Å²	134.9	75%	0.749	72%	0.717	S	S	*	*			trans	50.1	106.6	150.5	-48.5	-25.1	0	0	0	117.4
2302	N	26.6	Very low	34	Very low	146 Å²	146	136.7 Å²	136.7	78%	0.781	73%	0.727	S	S	*	*			cis	54.2	104.5	37.1	-75.7	-0.9	0	0	0	115.3
2303	N	31.3	Very low	33.3	Very low	141 Å²	141	138.3 Å²	138.3	75%	0.754	74%	0.736	S	S	*	*				173.9	129.7	115.9	-85.7	-14.7	0	0	0	113.4
2304	N	30.6	Very low	32.6	Very low	134 Å²	134	144.5 Å²	144.5	72%	0.717	77%	0.769	S	S	*	*			trans	66.3	139.1	152.2	-51.3	-11.2	0	0	0	119.9
2305	N	31	Very low	32.2	Very low	128 Å²	128	147.1 Å²	147.1	68%	0.684	78%	0.784	S	S	*	*			cis	-166.2	144.8	-18.1	-114.4	3.6	0	0	0	110.5
2306	N	32.6	Very low	31.4	Very low	132 Å²	132	152.2 Å²	152.2	71%	0.706	80%	0.803	S	S	*	*			trans	63.5	141.5	165.3	-41.5	-2.2	0	0	0	117.5
2307	D	28.4	Very low	30.6	Very low	148 Å²	148	154.8 Å²	154.8	79%	0.791	82%	0.816	S	S	*	*			cis	-174.7	145.7	-26.3	-98.2	-15.4	0	0	0	106.3
2308	P	34.4	Very low	30.2	Very low	199 Å²	199	147.5 Å²	147.5	100%	1.292	81%	0.809	S	S	*	*			cis	-107.8	0	-19.5	40.5	-30.3	0	0	0	114.1

Retrieved 2,308 of 2,308 residues in 1482.6 ms (Link to these results)

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